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 1geh_1_A DATA FIRST_RESID 12 DATA SEQUENCE YVDKGYEPSK KRDIIAVFRV TPAEGYTIEQ AAGAVAAESS TGTWTTLYPW DATA SEQUENCE YEQERWADLS AKAYDFHDMG DGSWIVRIAY PFHAFEEANL PGLLASIAGN DATA SEQUENCE IFGMKRVKGL RLEDLYFPEK LIREFDGPAF GIEGVRKMLE IKDRPIYGVV DATA SEQUENCE PKPKVGYSPE EFEKLAYDLL SNGADYMKDD ENLTSPWYNR FEERAEIMAK DATA SEQUENCE IIDKVENETG EKKTWFANIT ADLLEMEQRL EVLADLGLKH AMVDVVITGW DATA SEQUENCE GALRYIRDLA ADYGLAIHGH RAMHAAFTRN PYHGISMFVL AKLYRLIGID DATA SEQUENCE QLHVGTAXXX XXEGGKWDVI QNARILRESH YKPDENDVFH LEQKFYSIKA DATA SEQUENCE AFPTSSGGLH PGNIQPVIEA LGTDIVLQLG GGTLGHPDGP AAGARAVRQA DATA SEQUENCE IDAIMQGIPL DEYAKTHKEL ARALEKWGHV TP 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 12 Y HA 0.000 nan 4.550 nan 0.000 0.201 12 Y C 0.000 175.919 175.900 0.032 0.000 1.272 12 Y CA 0.000 58.119 58.100 0.031 0.000 1.940 12 Y CB 0.000 38.486 38.460 0.044 0.000 1.050 13 V N 4.058 124.044 119.914 0.121 0.000 2.516 13 V HA 0.414 4.536 4.120 0.003 0.000 0.271 13 V C -1.594 174.484 176.094 -0.027 0.000 0.992 13 V CA -0.326 61.956 62.300 -0.029 0.000 0.857 13 V CB 1.030 32.737 31.823 -0.193 0.000 1.047 13 V HN 0.509 nan 8.190 nan 0.000 0.455 14 D N 2.843 123.263 120.400 0.033 0.000 2.725 14 D HA 0.548 5.190 4.640 0.003 0.000 0.292 14 D C -0.853 175.508 176.300 0.102 0.000 1.288 14 D CA -0.712 53.324 54.000 0.060 0.000 0.784 14 D CB 2.447 43.346 40.800 0.165 0.000 1.308 14 D HN 0.300 nan 8.370 nan 0.000 0.429 15 K N -1.256 119.245 120.400 0.167 0.000 1.726 15 K HA 0.693 5.015 4.320 0.003 0.000 0.278 15 K C 0.490 177.231 176.600 0.236 0.000 0.842 15 K CA -0.632 55.768 56.287 0.189 0.000 0.597 15 K CB 0.898 33.525 32.500 0.212 0.000 2.677 15 K HN 0.425 nan 8.250 nan 0.000 0.945 16 G N 0.017 108.956 108.800 0.230 0.000 3.342 16 G HA2 0.051 4.012 3.960 0.003 0.000 0.252 16 G HA3 0.051 4.012 3.960 0.003 0.000 0.252 16 G C -0.347 174.693 174.900 0.232 0.000 1.011 16 G CA -0.075 45.149 45.100 0.206 0.000 0.869 16 G HN 0.446 nan 8.290 nan 0.000 0.514 17 Y N 1.485 121.848 120.300 0.106 0.000 2.960 17 Y HA 0.165 4.716 4.550 0.003 0.000 0.345 17 Y C 0.295 176.169 175.900 -0.042 0.000 1.277 17 Y CA 0.358 58.480 58.100 0.036 0.000 1.508 17 Y CB 0.587 39.066 38.460 0.033 0.000 1.317 17 Y HN 0.160 nan 8.280 nan 0.000 0.639 18 E N 6.861 126.579 120.200 -0.803 0.000 2.222 18 E HA 0.443 4.795 4.350 0.003 0.000 0.267 18 E C -2.719 173.257 176.600 -1.039 0.000 0.884 18 E CA -2.652 53.331 56.400 -0.695 0.000 0.764 18 E CB 1.599 31.061 29.700 -0.397 0.000 1.169 18 E HN 0.442 nan 8.360 nan 0.000 0.413 19 P HA 0.116 nan 4.420 nan 0.000 0.281 19 P C -1.052 176.134 177.300 -0.191 0.000 1.264 19 P CA -0.631 62.292 63.100 -0.296 0.000 0.824 19 P CB 1.636 33.150 31.700 -0.311 0.000 1.092 20 S N 0.516 116.190 115.700 -0.044 0.000 2.448 20 S HA 0.183 4.655 4.470 0.003 0.000 0.320 20 S C 1.082 175.731 174.600 0.081 0.000 1.071 20 S CA -0.786 57.415 58.200 0.003 0.000 1.113 20 S CB 0.041 63.266 63.200 0.042 0.000 0.972 20 S HN 0.402 nan 8.310 nan 0.000 0.465 21 K N 3.827 124.261 120.400 0.057 0.000 2.633 21 K HA 0.056 4.378 4.320 0.003 0.000 0.193 21 K C 0.826 177.575 176.600 0.247 0.000 1.033 21 K CA 0.622 57.004 56.287 0.157 0.000 0.980 21 K CB 0.015 32.548 32.500 0.055 0.000 0.800 21 K HN 0.341 nan 8.250 nan 0.000 0.493 22 K N 0.626 121.117 120.400 0.152 0.000 2.436 22 K HA 0.145 4.467 4.320 0.003 0.000 0.198 22 K C 1.495 178.129 176.600 0.056 0.000 1.174 22 K CA 0.289 56.626 56.287 0.084 0.000 0.951 22 K CB 0.695 33.216 32.500 0.036 0.000 1.040 22 K HN 0.198 nan 8.250 nan 0.000 0.536 23 R N 0.235 120.834 120.500 0.165 0.000 2.316 23 R HA 0.170 4.512 4.340 0.003 0.000 0.201 23 R C -0.180 176.387 176.300 0.446 0.000 0.888 23 R CA -0.003 56.296 56.100 0.331 0.000 1.041 23 R CB 0.762 31.272 30.300 0.350 0.000 1.115 23 R HN -0.024 nan 8.270 nan 0.000 0.559 24 D N 1.153 121.752 120.400 0.332 0.000 2.163 24 D HA 0.319 4.961 4.640 0.003 0.000 0.248 24 D C -0.278 176.256 176.300 0.389 0.000 1.035 24 D CA -0.258 53.944 54.000 0.337 0.000 0.872 24 D CB 2.085 43.038 40.800 0.257 0.000 1.183 24 D HN -0.057 nan 8.370 nan 0.000 0.445 25 I N 2.292 123.102 120.570 0.400 0.000 2.353 25 I HA 0.312 4.483 4.170 0.003 0.000 0.293 25 I C 0.128 176.485 176.117 0.401 0.000 0.992 25 I CA -0.561 60.954 61.300 0.358 0.000 1.268 25 I CB 1.169 39.386 38.000 0.362 0.000 1.387 25 I HN 0.090 nan 8.210 nan 0.000 0.478 26 I N 5.612 126.391 120.570 0.349 0.000 2.406 26 I HA 0.499 4.670 4.170 0.003 0.000 0.290 26 I C -0.013 176.177 176.117 0.121 0.000 0.999 26 I CA -0.487 60.985 61.300 0.287 0.000 1.124 26 I CB 1.861 40.029 38.000 0.279 0.000 1.289 26 I HN 0.574 nan 8.210 nan 0.000 0.441 27 A N 6.553 129.423 122.820 0.083 0.000 2.304 27 A HA 0.741 5.062 4.320 0.003 0.000 0.323 27 A C -0.667 176.706 177.584 -0.351 0.000 1.195 27 A CA -0.482 51.429 52.037 -0.210 0.000 0.826 27 A CB 1.130 20.008 19.000 -0.205 0.000 1.184 27 A HN 0.449 nan 8.150 nan 0.000 0.496 28 V N 3.557 123.223 119.914 -0.412 0.000 2.328 28 V HA 0.455 4.576 4.120 0.003 0.000 0.278 28 V C -0.816 175.077 176.094 -0.335 0.000 1.021 28 V CA -0.113 62.026 62.300 -0.268 0.000 0.838 28 V CB 0.141 31.918 31.823 -0.078 0.000 0.999 28 V HN 0.723 nan 8.190 nan 0.000 0.447 29 F N 3.070 123.015 119.950 -0.008 0.000 2.509 29 F HA 0.667 5.196 4.527 0.003 0.000 0.334 29 F C 0.620 176.453 175.800 0.056 0.000 1.060 29 F CA -1.167 56.838 58.000 0.009 0.000 0.997 29 F CB 1.567 40.548 39.000 -0.032 0.000 1.271 29 F HN 0.239 nan 8.300 nan 0.000 0.488 30 R N 1.548 122.247 120.500 0.332 0.000 2.443 30 R HA 0.541 4.883 4.340 0.003 0.000 0.287 30 R C -2.011 174.438 176.300 0.248 0.000 1.425 30 R CA -0.261 55.987 56.100 0.247 0.000 1.300 30 R CB 0.667 31.071 30.300 0.174 0.000 1.129 30 R HN 0.494 nan 8.270 nan 0.000 0.577 31 V N 2.701 122.768 119.914 0.255 0.000 2.498 31 V HA 0.298 4.420 4.120 0.003 0.000 0.279 31 V C 0.300 176.578 176.094 0.307 0.000 1.048 31 V CA -0.289 62.144 62.300 0.222 0.000 0.967 31 V CB 1.613 33.518 31.823 0.135 0.000 0.988 31 V HN 0.552 nan 8.190 nan 0.000 0.473 32 T N 7.439 122.158 114.554 0.275 0.000 2.893 32 T HA 0.369 4.721 4.350 0.003 0.000 0.324 32 T C -2.538 172.290 174.700 0.213 0.000 1.082 32 T CA -1.119 61.159 62.100 0.296 0.000 0.983 32 T CB 1.448 70.502 68.868 0.310 0.000 1.005 32 T HN 0.441 nan 8.240 nan 0.000 0.475 33 P HA 0.243 nan 4.420 nan 0.000 0.269 33 P C -0.070 177.332 177.300 0.169 0.000 1.217 33 P CA -0.187 63.010 63.100 0.162 0.000 0.783 33 P CB 0.522 32.327 31.700 0.174 0.000 0.898 34 A N 2.034 124.963 122.820 0.183 0.000 2.495 34 A HA 0.109 4.430 4.320 0.003 0.000 0.260 34 A C 1.444 179.199 177.584 0.284 0.000 1.608 34 A CA 0.256 52.434 52.037 0.234 0.000 0.834 34 A CB -0.494 18.662 19.000 0.260 0.000 1.526 34 A HN 0.483 nan 8.150 nan 0.000 0.578 35 E N 0.018 120.381 120.200 0.272 0.000 1.987 35 E HA -0.014 4.338 4.350 0.003 0.000 0.198 35 E C 1.666 178.269 176.600 0.005 0.000 0.968 35 E CA 1.268 57.738 56.400 0.118 0.000 0.867 35 E CB -1.303 28.436 29.700 0.065 0.000 0.819 35 E HN 0.687 nan 8.360 nan 0.000 0.516 36 G N 0.667 109.330 108.800 -0.228 0.000 3.266 36 G HA2 0.107 4.069 3.960 0.003 0.000 0.238 36 G HA3 0.107 4.069 3.960 0.003 0.000 0.238 36 G C -0.673 173.804 174.900 -0.705 0.000 1.076 36 G CA 0.222 45.068 45.100 -0.424 0.000 1.804 36 G HN 0.043 nan 8.290 nan 0.000 0.600 37 Y N -1.314 118.995 120.300 0.014 0.000 2.492 37 Y HA 0.538 5.090 4.550 0.003 0.000 0.346 37 Y C 0.342 176.242 175.900 0.000 0.000 0.997 37 Y CA -0.990 57.114 58.100 0.007 0.000 1.025 37 Y CB 2.377 40.848 38.460 0.017 0.000 1.263 37 Y HN 0.022 nan 8.280 nan 0.000 0.454 38 T N 1.947 116.582 114.554 0.135 0.000 2.925 38 T HA 0.359 4.711 4.350 0.003 0.000 0.285 38 T C 1.064 175.746 174.700 -0.030 0.000 1.021 38 T CA -0.584 61.525 62.100 0.015 0.000 1.042 38 T CB 0.601 69.442 68.868 -0.044 0.000 1.037 38 T HN 0.567 nan 8.240 nan 0.000 0.481 39 I N 2.552 123.007 120.570 -0.192 0.000 2.381 39 I HA -0.162 4.010 4.170 0.003 0.000 0.255 39 I C 2.290 178.421 176.117 0.023 0.000 1.140 39 I CA 1.194 62.376 61.300 -0.198 0.000 1.404 39 I CB -0.541 37.072 38.000 -0.646 0.000 1.075 39 I HN 0.596 nan 8.210 nan 0.000 0.433 40 E N 1.377 121.525 120.200 -0.087 0.000 2.051 40 E HA -0.251 4.101 4.350 0.003 0.000 0.192 40 E C 2.177 178.829 176.600 0.087 0.000 0.991 40 E CA 1.508 57.888 56.400 -0.033 0.000 0.799 40 E CB -0.633 28.983 29.700 -0.139 0.000 0.748 40 E HN 0.689 nan 8.360 nan 0.000 0.449 41 Q N 0.400 120.243 119.800 0.071 0.000 2.230 41 Q HA 0.081 4.423 4.340 0.003 0.000 0.202 41 Q C 2.026 178.072 176.000 0.077 0.000 0.963 41 Q CA 1.086 56.955 55.803 0.110 0.000 0.866 41 Q CB -0.043 28.804 28.738 0.181 0.000 0.931 41 Q HN 0.263 nan 8.270 nan 0.000 0.452 42 A N 1.394 124.244 122.820 0.050 0.000 1.832 42 A HA 0.050 4.372 4.320 0.003 0.000 0.214 42 A C 2.345 179.925 177.584 -0.007 0.000 1.242 42 A CA 1.136 53.165 52.037 -0.013 0.000 0.603 42 A CB -1.179 17.823 19.000 0.003 0.000 0.902 42 A HN 0.335 nan 8.150 nan 0.000 0.455 43 A N -0.492 122.342 122.820 0.024 0.000 1.958 43 A HA -0.044 4.278 4.320 0.003 0.000 0.221 43 A C 2.353 179.946 177.584 0.015 0.000 1.178 43 A CA 2.370 54.394 52.037 -0.023 0.000 0.642 43 A CB -1.499 17.456 19.000 -0.073 0.000 0.816 43 A HN 0.865 nan 8.150 nan 0.000 0.453 44 G N -0.849 108.011 108.800 0.100 0.000 2.421 44 G HA2 0.022 3.984 3.960 0.003 0.000 0.216 44 G HA3 0.022 3.984 3.960 0.003 0.000 0.216 44 G C 1.775 176.729 174.900 0.088 0.000 1.171 44 G CA 1.455 46.630 45.100 0.125 0.000 0.775 44 G HN 0.845 nan 8.290 nan 0.000 0.543 45 A N 0.156 123.022 122.820 0.077 0.000 1.858 45 A HA 0.057 4.379 4.320 0.003 0.000 0.216 45 A C 2.608 180.181 177.584 -0.018 0.000 1.190 45 A CA 1.865 53.927 52.037 0.043 0.000 0.617 45 A CB -0.869 18.118 19.000 -0.022 0.000 0.827 45 A HN 0.251 nan 8.150 nan 0.000 0.443 46 V N -0.083 119.785 119.914 -0.077 0.000 2.215 46 V HA -0.349 3.773 4.120 0.003 0.000 0.249 46 V C 3.089 179.145 176.094 -0.064 0.000 1.054 46 V CA 2.465 64.677 62.300 -0.147 0.000 1.012 46 V CB -1.414 30.239 31.823 -0.283 0.000 0.639 46 V HN 0.675 nan 8.190 nan 0.000 0.448 47 A N -0.131 122.668 122.820 -0.034 0.000 1.869 47 A HA -0.282 4.040 4.320 0.003 0.000 0.218 47 A C 2.427 180.012 177.584 0.001 0.000 1.203 47 A CA 3.048 55.083 52.037 -0.003 0.000 0.638 47 A CB -1.259 17.688 19.000 -0.088 0.000 0.831 47 A HN 0.770 nan 8.150 nan 0.000 0.450 48 A N -0.919 121.881 122.820 -0.034 0.000 1.986 48 A HA -0.216 4.106 4.320 0.003 0.000 0.220 48 A C 1.971 179.565 177.584 0.016 0.000 1.171 48 A CA 2.449 54.466 52.037 -0.034 0.000 0.640 48 A CB -0.465 18.515 19.000 -0.033 0.000 0.811 48 A HN 0.610 nan 8.150 nan 0.000 0.451 49 E N 0.516 120.730 120.200 0.023 0.000 2.112 49 E HA -0.069 4.283 4.350 0.003 0.000 0.190 49 E C 1.836 178.457 176.600 0.035 0.000 0.979 49 E CA 1.326 57.743 56.400 0.028 0.000 0.814 49 E CB -0.259 29.441 29.700 0.001 0.000 0.762 49 E HN 0.598 nan 8.360 nan 0.000 0.460 50 S N -0.723 115.014 115.700 0.061 0.000 2.743 50 S HA 0.209 4.680 4.470 0.003 0.000 0.230 50 S C 0.655 175.366 174.600 0.186 0.000 0.950 50 S CA 0.226 58.489 58.200 0.105 0.000 0.976 50 S CB -0.405 62.887 63.200 0.152 0.000 0.779 50 S HN 0.256 nan 8.310 nan 0.000 0.487 51 S N 0.749 116.512 115.700 0.106 0.000 4.226 51 S HA 0.447 4.919 4.470 0.003 0.000 0.268 51 S C 0.375 174.924 174.600 -0.086 0.000 1.036 51 S CA 0.101 58.325 58.200 0.039 0.000 1.278 51 S CB -0.035 63.193 63.200 0.047 0.000 1.727 51 S HN 0.567 nan 8.310 nan 0.000 0.608 52 T N 0.480 114.887 114.554 -0.244 0.000 2.652 52 T HA 0.482 4.834 4.350 0.003 0.000 0.345 52 T C 1.178 175.856 174.700 -0.036 0.000 1.051 52 T CA 0.089 61.980 62.100 -0.349 0.000 1.021 52 T CB -1.292 66.950 68.868 -1.043 0.000 1.141 52 T HN 1.556 nan 8.240 nan 0.000 0.518 53 G N 0.304 109.280 108.800 0.293 0.000 2.238 53 G HA2 0.243 4.205 3.960 0.003 0.000 0.234 53 G HA3 0.243 4.205 3.960 0.003 0.000 0.234 53 G C 0.966 176.054 174.900 0.313 0.000 1.181 53 G CA 0.089 45.458 45.100 0.447 0.000 0.871 53 G HN 1.147 nan 8.290 nan 0.000 0.490 54 T N -1.574 113.139 114.554 0.264 0.000 3.086 54 T HA 0.244 4.596 4.350 0.003 0.000 0.250 54 T C 0.280 175.197 174.700 0.362 0.000 1.074 54 T CA 0.070 62.312 62.100 0.236 0.000 0.988 54 T CB 0.182 69.153 68.868 0.173 0.000 0.988 54 T HN 0.600 nan 8.240 nan 0.000 0.530 55 W N 0.699 122.077 121.300 0.130 0.000 3.121 55 W HA 0.600 5.262 4.660 0.003 0.000 0.415 55 W C -1.757 174.804 176.519 0.070 0.000 1.059 55 W CA -0.648 56.762 57.345 0.108 0.000 1.185 55 W CB 1.113 30.625 29.460 0.087 0.000 1.478 55 W HN -0.130 nan 8.180 nan 0.000 0.615 56 T N 1.798 116.087 114.554 -0.442 0.000 3.829 56 T HA 0.175 4.526 4.350 0.003 0.000 0.332 56 T C -0.785 173.431 174.700 -0.806 0.000 0.845 56 T CA -0.544 61.270 62.100 -0.477 0.000 1.010 56 T CB 0.754 69.347 68.868 -0.459 0.000 1.051 56 T HN 0.480 nan 8.240 nan 0.000 0.465 57 T N 3.671 118.054 114.554 -0.285 0.000 2.939 57 T HA 0.071 4.423 4.350 0.003 0.000 0.312 57 T C 0.981 175.546 174.700 -0.224 0.000 1.064 57 T CA -0.380 61.634 62.100 -0.143 0.000 1.136 57 T CB 0.004 68.989 68.868 0.195 0.000 1.035 57 T HN 0.374 nan 8.240 nan 0.000 0.538 58 L N 7.019 128.187 121.223 -0.093 0.000 2.912 58 L HA 0.233 4.574 4.340 0.003 0.000 0.246 58 L C -0.229 176.754 176.870 0.188 0.000 1.371 58 L CA 0.575 55.410 54.840 -0.009 0.000 1.196 58 L CB -2.542 39.544 42.059 0.044 0.000 1.596 58 L HN 0.859 nan 8.230 nan 0.000 0.429 59 Y N -1.946 118.336 120.300 -0.031 0.000 1.998 59 Y HA 0.275 4.827 4.550 0.003 0.000 0.311 59 Y C -3.183 172.727 175.900 0.017 0.000 1.290 59 Y CA -1.962 56.128 58.100 -0.017 0.000 1.671 59 Y CB -0.394 38.078 38.460 0.020 0.000 1.259 59 Y HN 0.026 nan 8.280 nan 0.000 0.382 60 P HA 0.081 nan 4.420 nan 0.000 0.267 60 P C 0.163 177.186 177.300 -0.462 0.000 1.209 60 P CA 0.286 62.999 63.100 -0.645 0.000 0.763 60 P CB 0.201 31.440 31.700 -0.767 0.000 0.816 61 W N 3.792 124.799 121.300 -0.488 0.000 2.846 61 W HA 0.285 4.947 4.660 0.003 0.000 0.391 61 W C -1.070 175.441 176.519 -0.013 0.000 1.011 61 W CA -0.578 56.661 57.345 -0.176 0.000 1.832 61 W CB -0.984 28.400 29.460 -0.127 0.000 1.151 61 W HN 0.329 nan 8.180 nan 0.000 0.582 62 Y N -1.253 118.636 120.300 -0.685 0.000 2.625 62 Y HA 0.576 5.128 4.550 0.003 0.000 0.338 62 Y C -0.458 175.227 175.900 -0.358 0.000 1.123 62 Y CA -2.178 55.534 58.100 -0.646 0.000 1.046 62 Y CB 0.479 38.287 38.460 -1.087 0.000 1.299 62 Y HN -0.043 nan 8.280 nan 0.000 0.464 63 E N 2.023 122.142 120.200 -0.134 0.000 2.159 63 E HA 0.047 4.399 4.350 0.003 0.000 0.272 63 E C 0.073 176.681 176.600 0.013 0.000 1.138 63 E CA 0.005 56.345 56.400 -0.100 0.000 0.915 63 E CB 0.791 30.477 29.700 -0.023 0.000 1.028 63 E HN 0.879 nan 8.360 nan 0.000 0.423 64 Q N 2.910 122.631 119.800 -0.131 0.000 2.226 64 Q HA -0.211 4.131 4.340 0.003 0.000 0.204 64 Q C 1.150 177.250 176.000 0.167 0.000 0.975 64 Q CA 1.497 57.312 55.803 0.020 0.000 0.866 64 Q CB 0.108 28.758 28.738 -0.148 0.000 0.915 64 Q HN 0.578 nan 8.270 nan 0.000 0.440 65 E N 0.683 120.930 120.200 0.077 0.000 2.072 65 E HA -0.161 4.191 4.350 0.003 0.000 0.191 65 E C 1.819 178.472 176.600 0.090 0.000 0.985 65 E CA 0.923 57.368 56.400 0.074 0.000 0.801 65 E CB -0.103 29.615 29.700 0.029 0.000 0.750 65 E HN 0.210 nan 8.360 nan 0.000 0.452 66 R N -0.537 120.017 120.500 0.090 0.000 2.075 66 R HA -0.160 4.182 4.340 0.003 0.000 0.232 66 R C 2.004 178.339 176.300 0.057 0.000 1.126 66 R CA 1.415 57.551 56.100 0.059 0.000 0.963 66 R CB -0.426 29.902 30.300 0.047 0.000 0.858 66 R HN 0.303 nan 8.270 nan 0.000 0.435 67 W N 1.058 122.341 121.300 -0.029 0.000 2.304 67 W HA -0.273 4.389 4.660 0.003 0.000 0.328 67 W C 2.170 178.646 176.519 -0.071 0.000 1.242 67 W CA 2.789 60.099 57.345 -0.058 0.000 1.243 67 W CB -0.758 28.729 29.460 0.044 0.000 1.170 67 W HN 0.226 nan 8.180 nan 0.000 0.460 68 A N -0.226 122.745 122.820 0.251 0.000 1.986 68 A HA -0.311 4.010 4.320 0.003 0.000 0.220 68 A C 1.672 179.172 177.584 -0.139 0.000 1.171 68 A CA 2.468 54.530 52.037 0.041 0.000 0.640 68 A CB -1.277 17.854 19.000 0.218 0.000 0.811 68 A HN 0.502 nan 8.150 nan 0.000 0.451 69 D N -0.399 119.947 120.400 -0.089 0.000 2.219 69 D HA -0.055 4.587 4.640 0.003 0.000 0.205 69 D C 1.471 177.649 176.300 -0.203 0.000 0.970 69 D CA 0.954 54.903 54.000 -0.085 0.000 0.851 69 D CB -0.161 40.638 40.800 -0.002 0.000 0.943 69 D HN 0.460 nan 8.370 nan 0.000 0.488 70 L N -0.192 120.826 121.223 -0.343 0.000 2.607 70 L HA 0.227 4.569 4.340 0.003 0.000 0.228 70 L C 0.587 177.174 176.870 -0.471 0.000 1.123 70 L CA -0.187 54.373 54.840 -0.466 0.000 0.890 70 L CB 0.196 41.962 42.059 -0.489 0.000 1.103 70 L HN -0.188 nan 8.230 nan 0.000 0.468 71 S N 1.026 116.423 115.700 -0.504 0.000 2.549 71 S HA 0.455 4.926 4.470 0.003 0.000 0.283 71 S C 0.652 175.036 174.600 -0.361 0.000 1.320 71 S CA -0.434 57.470 58.200 -0.492 0.000 1.058 71 S CB 1.459 64.305 63.200 -0.589 0.000 0.882 71 S HN 0.302 nan 8.310 nan 0.000 0.498 72 A N 2.928 125.555 122.820 -0.321 0.000 2.296 72 A HA 0.723 5.045 4.320 0.003 0.000 0.276 72 A C 0.069 177.415 177.584 -0.397 0.000 1.356 72 A CA -0.478 51.309 52.037 -0.417 0.000 0.825 72 A CB 0.281 18.910 19.000 -0.619 0.000 1.308 72 A HN 0.875 nan 8.150 nan 0.000 0.515 73 K N -2.060 118.087 120.400 -0.421 0.000 2.577 73 K HA 0.502 4.823 4.320 0.003 0.000 0.267 73 K C -1.048 175.447 176.600 -0.176 0.000 0.979 73 K CA -0.156 55.956 56.287 -0.291 0.000 0.942 73 K CB 0.637 32.909 32.500 -0.379 0.000 1.343 73 K HN 1.104 nan 8.250 nan 0.000 0.436 74 A N 3.540 126.302 122.820 -0.096 0.000 2.444 74 A HA 0.271 4.593 4.320 0.003 0.000 0.287 74 A C 0.176 177.804 177.584 0.072 0.000 1.195 74 A CA -0.254 51.714 52.037 -0.115 0.000 0.858 74 A CB -0.769 18.145 19.000 -0.143 0.000 1.117 74 A HN 0.860 nan 8.150 nan 0.000 0.521 75 Y N 0.461 120.766 120.300 0.008 0.000 2.458 75 Y HA 0.441 4.993 4.550 0.003 0.000 0.254 75 Y C 0.012 176.049 175.900 0.228 0.000 1.120 75 Y CA -0.290 57.904 58.100 0.158 0.000 1.282 75 Y CB 0.462 39.052 38.460 0.217 0.000 1.109 75 Y HN 0.440 nan 8.280 nan 0.000 0.526 76 D N 0.401 120.586 120.400 -0.358 0.000 2.855 76 D HA 0.302 4.944 4.640 0.003 0.000 0.241 76 D C -1.762 174.503 176.300 -0.059 0.000 1.277 76 D CA -0.664 53.274 54.000 -0.104 0.000 0.918 76 D CB 1.056 41.657 40.800 -0.332 0.000 1.462 76 D HN -0.039 nan 8.370 nan 0.000 0.559 77 F N 2.225 122.205 119.950 0.049 0.000 2.507 77 F HA 0.504 5.033 4.527 0.003 0.000 0.327 77 F C 0.263 176.271 175.800 0.347 0.000 1.068 77 F CA -0.667 57.444 58.000 0.184 0.000 0.965 77 F CB 1.754 40.823 39.000 0.116 0.000 1.192 77 F HN 0.322 nan 8.300 nan 0.000 0.476 78 H N 1.255 120.656 119.070 0.551 0.000 3.042 78 H HA 0.190 4.747 4.556 0.003 0.000 0.345 78 H C -1.964 173.386 175.328 0.037 0.000 1.052 78 H CA -0.690 55.526 56.048 0.279 0.000 1.311 78 H CB 1.970 31.772 29.762 0.067 0.000 1.810 78 H HN 0.583 nan 8.280 nan 0.000 0.505 79 D N 4.988 124.990 120.400 -0.663 0.000 2.280 79 D HA 0.106 4.747 4.640 0.003 0.000 0.243 79 D C 1.181 177.116 176.300 -0.609 0.000 1.129 79 D CA -0.387 52.861 54.000 -1.253 0.000 0.848 79 D CB 0.983 40.901 40.800 -1.470 0.000 1.107 79 D HN 0.491 nan 8.370 nan 0.000 0.471 80 M N 2.071 121.426 119.600 -0.409 0.000 2.506 80 M HA 0.137 4.619 4.480 0.003 0.000 0.260 80 M C 1.319 177.519 176.300 -0.166 0.000 1.104 80 M CA 0.659 55.868 55.300 -0.153 0.000 1.112 80 M CB -0.322 32.236 32.600 -0.071 0.000 1.401 80 M HN 0.706 nan 8.290 nan 0.000 0.473 81 G N 1.237 109.881 108.800 -0.260 0.000 2.132 81 G HA2 -0.205 3.757 3.960 0.003 0.000 0.228 81 G HA3 -0.205 3.757 3.960 0.003 0.000 0.228 81 G C 0.107 174.977 174.900 -0.051 0.000 1.000 81 G CA 0.471 45.480 45.100 -0.151 0.000 0.693 81 G HN 0.425 nan 8.290 nan 0.000 0.515 82 D N -0.603 119.784 120.400 -0.021 0.000 2.454 82 D HA 0.382 5.024 4.640 0.003 0.000 0.214 82 D C 1.935 178.309 176.300 0.123 0.000 1.088 82 D CA 1.368 55.429 54.000 0.101 0.000 0.855 82 D CB 0.143 41.095 40.800 0.253 0.000 1.025 82 D HN 1.432 nan 8.370 nan 0.000 0.502 83 G N 0.866 109.719 108.800 0.088 0.000 2.163 83 G HA2 -0.207 3.755 3.960 0.003 0.000 0.213 83 G HA3 -0.207 3.755 3.960 0.003 0.000 0.213 83 G C 0.272 175.357 174.900 0.309 0.000 0.991 83 G CA 0.312 45.533 45.100 0.202 0.000 0.653 83 G HN 0.462 nan 8.290 nan 0.000 0.518 84 S N -0.852 114.971 115.700 0.204 0.000 2.503 84 S HA 0.834 5.306 4.470 0.003 0.000 0.301 84 S C -0.828 173.824 174.600 0.086 0.000 1.087 84 S CA -0.854 57.520 58.200 0.291 0.000 1.042 84 S CB 1.968 65.348 63.200 0.299 0.000 1.043 84 S HN 0.533 nan 8.310 nan 0.000 0.489 85 W N 0.867 122.266 121.300 0.166 0.000 2.844 85 W HA 0.559 5.221 4.660 0.003 0.000 0.340 85 W C -0.589 176.007 176.519 0.127 0.000 1.093 85 W CA -1.119 56.325 57.345 0.165 0.000 1.212 85 W CB 1.192 30.761 29.460 0.183 0.000 1.422 85 W HN 0.453 nan 8.180 nan 0.000 0.515 86 I N 4.277 125.034 120.570 0.312 0.000 2.268 86 I HA 0.156 4.328 4.170 0.003 0.000 0.290 86 I C -0.019 176.158 176.117 0.100 0.000 1.125 86 I CA -0.542 60.850 61.300 0.154 0.000 1.236 86 I CB -0.734 37.236 38.000 -0.049 0.000 1.469 86 I HN 0.058 nan 8.210 nan 0.000 0.512 87 V N 7.269 127.208 119.914 0.042 0.000 2.863 87 V HA 0.451 4.573 4.120 0.003 0.000 0.307 87 V C 0.522 176.484 176.094 -0.220 0.000 1.061 87 V CA -0.751 61.405 62.300 -0.240 0.000 1.024 87 V CB 1.787 33.380 31.823 -0.383 0.000 1.049 87 V HN 0.581 nan 8.190 nan 0.000 0.471 88 R N 2.962 123.204 120.500 -0.430 0.000 2.575 88 R HA 0.682 5.024 4.340 0.003 0.000 0.293 88 R C -1.434 174.622 176.300 -0.407 0.000 0.983 88 R CA -0.555 55.296 56.100 -0.416 0.000 0.887 88 R CB 2.047 31.953 30.300 -0.658 0.000 1.184 88 R HN 0.568 nan 8.270 nan 0.000 0.445 89 I N 1.758 122.234 120.570 -0.157 0.000 2.474 89 I HA 0.524 4.696 4.170 0.003 0.000 0.294 89 I C -0.211 175.831 176.117 -0.126 0.000 1.005 89 I CA -0.947 60.254 61.300 -0.166 0.000 1.113 89 I CB 2.147 40.040 38.000 -0.177 0.000 1.289 89 I HN 0.612 nan 8.210 nan 0.000 0.436 90 A N 6.050 128.788 122.820 -0.137 0.000 2.317 90 A HA 0.794 5.116 4.320 0.003 0.000 0.327 90 A C -1.550 175.835 177.584 -0.333 0.000 1.178 90 A CA -0.286 51.722 52.037 -0.047 0.000 0.817 90 A CB 0.602 19.659 19.000 0.096 0.000 1.189 90 A HN 0.604 nan 8.150 nan 0.000 0.489 91 Y N 1.471 121.834 120.300 0.104 0.000 2.425 91 Y HA 0.453 5.005 4.550 0.003 0.000 0.344 91 Y C -2.456 173.471 175.900 0.047 0.000 0.969 91 Y CA -2.552 55.577 58.100 0.048 0.000 1.052 91 Y CB 2.052 40.629 38.460 0.194 0.000 1.215 91 Y HN 0.462 nan 8.280 nan 0.000 0.451 92 P HA 0.011 nan 4.420 nan 0.000 0.271 92 P C 0.567 177.811 177.300 -0.094 0.000 1.233 92 P CA -0.073 63.004 63.100 -0.039 0.000 0.764 92 P CB 0.072 31.596 31.700 -0.294 0.000 0.825 93 F N 3.846 123.885 119.950 0.148 0.000 2.192 93 F HA -0.250 4.278 4.527 0.003 0.000 0.301 93 F C 1.595 177.464 175.800 0.115 0.000 1.079 93 F CA 1.339 59.452 58.000 0.188 0.000 1.303 93 F CB -1.311 37.804 39.000 0.191 0.000 1.024 93 F HN 0.448 nan 8.300 nan 0.000 0.494 94 H N -0.270 118.103 119.070 -1.162 0.000 2.607 94 H HA 0.544 5.101 4.556 0.003 0.000 0.288 94 H C 1.201 176.248 175.328 -0.469 0.000 1.058 94 H CA 0.396 55.952 56.048 -0.820 0.000 1.178 94 H CB -0.508 28.686 29.762 -0.946 0.000 1.340 94 H HN 0.456 nan 8.280 nan 0.000 0.591 95 A N 0.176 122.533 122.820 -0.771 0.000 2.303 95 A HA 0.309 4.631 4.320 0.003 0.000 0.217 95 A C -0.251 176.889 177.584 -0.739 0.000 1.205 95 A CA -0.284 51.239 52.037 -0.858 0.000 0.875 95 A CB 0.203 18.566 19.000 -1.062 0.000 0.910 95 A HN 0.171 nan 8.150 nan 0.000 0.501 96 F N -0.441 119.439 119.950 -0.118 0.000 2.575 96 F HA 0.492 5.020 4.527 0.003 0.000 0.330 96 F C 0.435 176.216 175.800 -0.032 0.000 1.056 96 F CA -1.639 56.322 58.000 -0.065 0.000 0.964 96 F CB 0.819 39.797 39.000 -0.038 0.000 1.258 96 F HN 0.077 nan 8.300 nan 0.000 0.484 97 E N 0.610 120.925 120.200 0.192 0.000 2.383 97 E HA 0.138 4.489 4.350 0.003 0.000 0.264 97 E C -0.932 175.721 176.600 0.089 0.000 1.050 97 E CA -0.505 55.952 56.400 0.094 0.000 0.896 97 E CB 0.669 30.400 29.700 0.051 0.000 0.982 97 E HN 0.493 nan 8.360 nan 0.000 0.424 98 E N 1.816 122.052 120.200 0.059 0.000 2.384 98 E HA 0.226 4.577 4.350 0.003 0.000 0.266 98 E C -0.143 176.433 176.600 -0.040 0.000 1.012 98 E CA 0.710 57.130 56.400 0.035 0.000 0.901 98 E CB 0.813 30.529 29.700 0.027 0.000 0.967 98 E HN 0.650 nan 8.360 nan 0.000 0.435 99 A N 3.817 126.574 122.820 -0.105 0.000 2.364 99 A HA -0.242 4.080 4.320 0.003 0.000 0.288 99 A C 0.134 177.602 177.584 -0.194 0.000 1.433 99 A CA 0.832 52.721 52.037 -0.246 0.000 0.757 99 A CB -1.547 17.292 19.000 -0.268 0.000 1.098 99 A HN 0.465 nan 8.150 nan 0.000 0.380 100 N N 0.074 118.692 118.700 -0.137 0.000 2.752 100 N HA 0.282 5.023 4.740 0.003 0.000 0.260 100 N C 0.534 175.983 175.510 -0.102 0.000 1.562 100 N CA -0.189 52.804 53.050 -0.094 0.000 0.788 100 N CB 0.334 38.793 38.487 -0.046 0.000 1.192 100 N HN 0.399 nan 8.380 nan 0.000 0.503 101 L N 3.197 124.355 121.223 -0.109 0.000 2.043 101 L HA 0.081 4.423 4.340 0.003 0.000 0.212 101 L C -0.995 175.782 176.870 -0.155 0.000 1.075 101 L CA 2.267 57.051 54.840 -0.093 0.000 0.752 101 L CB -0.952 41.108 42.059 0.001 0.000 0.891 101 L HN 0.286 nan 8.230 nan 0.000 0.432 102 P HA -0.107 nan 4.420 nan 0.000 0.215 102 P C 1.575 178.815 177.300 -0.099 0.000 1.153 102 P CA 1.821 64.882 63.100 -0.066 0.000 0.853 102 P CB -0.372 31.349 31.700 0.035 0.000 0.788 103 G N -0.671 108.079 108.800 -0.084 0.000 2.448 103 G HA2 -0.197 3.765 3.960 0.003 0.000 0.218 103 G HA3 -0.197 3.765 3.960 0.003 0.000 0.218 103 G C 1.411 176.215 174.900 -0.161 0.000 1.135 103 G CA 0.258 45.310 45.100 -0.079 0.000 0.784 103 G HN 0.195 nan 8.290 nan 0.000 0.543 104 L N 0.467 121.537 121.223 -0.255 0.000 2.023 104 L HA 0.208 4.550 4.340 0.003 0.000 0.205 104 L C 2.617 179.245 176.870 -0.403 0.000 1.073 104 L CA 1.293 55.848 54.840 -0.475 0.000 0.745 104 L CB -0.517 41.275 42.059 -0.445 0.000 0.900 104 L HN 0.166 nan 8.230 nan 0.000 0.435 105 L N -0.293 120.732 121.223 -0.330 0.000 2.261 105 L HA -0.166 4.176 4.340 0.003 0.000 0.216 105 L C 2.511 179.269 176.870 -0.187 0.000 1.114 105 L CA 0.911 55.568 54.840 -0.305 0.000 0.777 105 L CB -0.871 40.927 42.059 -0.434 0.000 0.910 105 L HN 0.387 nan 8.230 nan 0.000 0.440 106 A N -1.309 121.420 122.820 -0.151 0.000 2.066 106 A HA -0.096 4.226 4.320 0.003 0.000 0.218 106 A C 2.428 179.969 177.584 -0.072 0.000 1.157 106 A CA 1.717 53.709 52.037 -0.075 0.000 0.670 106 A CB -0.164 18.809 19.000 -0.044 0.000 0.804 106 A HN 0.357 nan 8.150 nan 0.000 0.453 107 S N -0.668 114.955 115.700 -0.128 0.000 2.433 107 S HA 0.175 4.646 4.470 0.003 0.000 0.216 107 S C 1.487 176.009 174.600 -0.131 0.000 1.031 107 S CA 0.565 58.709 58.200 -0.094 0.000 0.931 107 S CB -0.288 62.884 63.200 -0.047 0.000 0.875 107 S HN 0.478 nan 8.310 nan 0.000 0.553 108 I N 1.592 122.017 120.570 -0.243 0.000 3.334 108 I HA 0.044 4.215 4.170 0.003 0.000 0.282 108 I C 0.945 177.007 176.117 -0.092 0.000 1.313 108 I CA 0.458 61.647 61.300 -0.185 0.000 1.396 108 I CB -0.078 37.704 38.000 -0.363 0.000 1.054 108 I HN 0.240 nan 8.210 nan 0.000 0.495 109 A N -0.131 122.618 122.820 -0.117 0.000 2.639 109 A HA 0.545 4.867 4.320 0.003 0.000 0.221 109 A C 0.662 178.293 177.584 0.078 0.000 0.879 109 A CA 0.079 52.079 52.037 -0.061 0.000 1.189 109 A CB -0.630 18.411 19.000 0.070 0.000 1.231 109 A HN 0.310 nan 8.150 nan 0.000 0.457 110 G N 0.381 109.177 108.800 -0.006 0.000 2.992 110 G HA2 0.142 4.104 3.960 0.003 0.000 0.195 110 G HA3 0.142 4.104 3.960 0.003 0.000 0.195 110 G C 0.803 175.763 174.900 0.100 0.000 2.032 110 G CA 0.452 45.590 45.100 0.064 0.000 0.831 110 G HN 0.258 nan 8.290 nan 0.000 0.647 111 N N 1.250 119.976 118.700 0.043 0.000 2.396 111 N HA -0.072 4.669 4.740 0.003 0.000 0.180 111 N C 2.414 177.936 175.510 0.020 0.000 1.028 111 N CA 1.024 54.106 53.050 0.053 0.000 0.893 111 N CB -0.092 38.414 38.487 0.032 0.000 0.967 111 N HN 0.591 nan 8.380 nan 0.000 0.440 112 I N -2.291 118.230 120.570 -0.082 0.000 2.623 112 I HA -0.192 3.980 4.170 0.003 0.000 0.261 112 I C 1.557 177.584 176.117 -0.150 0.000 1.204 112 I CA 1.250 62.441 61.300 -0.182 0.000 1.444 112 I CB -0.727 37.059 38.000 -0.357 0.000 1.094 112 I HN -0.127 nan 8.210 nan 0.000 0.451 113 F N 1.951 121.879 119.950 -0.036 0.000 2.502 113 F HA 0.114 4.643 4.527 0.003 0.000 0.298 113 F C 2.198 178.071 175.800 0.122 0.000 1.111 113 F CA 0.552 58.557 58.000 0.010 0.000 1.445 113 F CB 0.211 39.190 39.000 -0.034 0.000 1.081 113 F HN 0.219 nan 8.300 nan 0.000 0.558 114 G N -0.306 108.638 108.800 0.239 0.000 3.993 114 G HA2 0.275 4.237 3.960 0.003 0.000 0.294 114 G HA3 0.275 4.237 3.960 0.003 0.000 0.294 114 G C 0.188 175.140 174.900 0.087 0.000 1.043 114 G CA -0.390 44.810 45.100 0.167 0.000 0.839 114 G HN -0.017 nan 8.290 nan 0.000 0.516 115 M N 0.868 120.503 119.600 0.059 0.000 2.233 115 M HA 0.183 4.665 4.480 0.003 0.000 0.350 115 M C 1.315 177.608 176.300 -0.013 0.000 1.176 115 M CA -0.499 54.801 55.300 0.000 0.000 1.150 115 M CB 1.469 34.041 32.600 -0.046 0.000 1.530 115 M HN 0.019 nan 8.290 nan 0.000 0.459 116 K N 2.196 122.575 120.400 -0.035 0.000 1.991 116 K HA -0.158 4.164 4.320 0.003 0.000 0.212 116 K C 1.293 177.829 176.600 -0.107 0.000 1.049 116 K CA 1.770 58.034 56.287 -0.039 0.000 0.932 116 K CB -0.574 31.910 32.500 -0.027 0.000 0.717 116 K HN 0.428 nan 8.250 nan 0.000 0.441 117 R N 0.629 120.960 120.500 -0.282 0.000 2.417 117 R HA 0.032 4.374 4.340 0.003 0.000 0.220 117 R C -0.430 175.755 176.300 -0.192 0.000 1.128 117 R CA 0.421 56.214 56.100 -0.511 0.000 1.048 117 R CB -0.492 29.394 30.300 -0.690 0.000 0.835 117 R HN 0.026 nan 8.270 nan 0.000 0.483 118 V N 0.348 120.220 119.914 -0.070 0.000 2.531 118 V HA 0.169 4.290 4.120 0.003 0.000 0.301 118 V C 0.567 176.696 176.094 0.059 0.000 1.034 118 V CA -0.896 61.414 62.300 0.017 0.000 0.865 118 V CB 2.108 33.945 31.823 0.023 0.000 0.995 118 V HN -0.053 nan 8.190 nan 0.000 0.424 119 K N 2.631 123.084 120.400 0.089 0.000 2.116 119 K HA 0.182 4.504 4.320 0.003 0.000 0.203 119 K C 0.835 177.479 176.600 0.073 0.000 1.052 119 K CA 1.035 57.366 56.287 0.073 0.000 0.952 119 K CB 0.429 32.984 32.500 0.093 0.000 0.729 119 K HN 0.879 nan 8.250 nan 0.000 0.446 120 G N 1.231 110.136 108.800 0.176 0.000 2.552 120 G HA2 0.400 4.362 3.960 0.003 0.000 0.288 120 G HA3 0.400 4.362 3.960 0.003 0.000 0.288 120 G C -2.054 173.090 174.900 0.408 0.000 1.358 120 G CA -0.589 44.703 45.100 0.320 0.000 1.305 120 G HN 0.007 nan 8.290 nan 0.000 0.602 121 L N 1.818 123.372 121.223 0.551 0.000 2.334 121 L HA 0.997 5.338 4.340 0.003 0.000 0.276 121 L C -0.122 176.940 176.870 0.320 0.000 1.014 121 L CA -1.168 53.831 54.840 0.264 0.000 0.815 121 L CB 1.806 43.876 42.059 0.019 0.000 1.268 121 L HN 0.673 nan 8.230 nan 0.000 0.428 122 R N 4.176 124.864 120.500 0.313 0.000 2.512 122 R HA 0.477 4.819 4.340 0.003 0.000 0.291 122 R C -2.002 174.543 176.300 0.408 0.000 1.097 122 R CA -0.630 55.685 56.100 0.359 0.000 0.940 122 R CB 0.977 31.423 30.300 0.243 0.000 1.198 122 R HN 0.609 nan 8.270 nan 0.000 0.429 123 L N 4.354 125.828 121.223 0.418 0.000 2.456 123 L HA 0.227 4.569 4.340 0.003 0.000 0.277 123 L C 0.501 177.423 176.870 0.087 0.000 1.124 123 L CA 0.770 55.723 54.840 0.187 0.000 0.880 123 L CB 0.779 42.932 42.059 0.155 0.000 1.192 123 L HN 0.807 nan 8.230 nan 0.000 0.463 124 E N 2.177 122.389 120.200 0.020 0.000 2.140 124 E HA 0.081 4.432 4.350 0.003 0.000 0.191 124 E C -0.108 176.545 176.600 0.088 0.000 0.973 124 E CA 0.510 56.934 56.400 0.041 0.000 0.829 124 E CB 0.337 30.078 29.700 0.069 0.000 0.781 124 E HN 0.674 nan 8.360 nan 0.000 0.466 125 D N -1.012 119.404 120.400 0.025 0.000 2.648 125 D HA 0.322 4.964 4.640 0.003 0.000 0.244 125 D C -1.587 174.664 176.300 -0.082 0.000 1.244 125 D CA -0.477 53.575 54.000 0.087 0.000 0.772 125 D CB 1.420 42.327 40.800 0.177 0.000 1.379 125 D HN -0.120 nan 8.370 nan 0.000 0.428 126 L N 3.144 124.298 121.223 -0.115 0.000 2.404 126 L HA 0.346 4.688 4.340 0.003 0.000 0.272 126 L C -1.336 175.295 176.870 -0.399 0.000 0.980 126 L CA -0.953 53.684 54.840 -0.338 0.000 0.836 126 L CB 1.528 43.280 42.059 -0.512 0.000 1.238 126 L HN 0.435 nan 8.230 nan 0.000 0.408 127 Y N 4.588 124.653 120.300 -0.391 0.000 2.327 127 Y HA 0.437 4.989 4.550 0.003 0.000 0.336 127 Y C -1.165 174.515 175.900 -0.367 0.000 1.035 127 Y CA -0.399 57.536 58.100 -0.275 0.000 1.165 127 Y CB 0.696 39.114 38.460 -0.071 0.000 1.181 127 Y HN 0.286 nan 8.280 nan 0.000 0.494 128 F N 8.261 127.683 119.950 -0.881 0.000 2.388 128 F HA 0.488 5.017 4.527 0.003 0.000 0.358 128 F C -2.082 173.167 175.800 -0.920 0.000 1.122 128 F CA -2.911 54.668 58.000 -0.701 0.000 1.056 128 F CB 1.167 39.911 39.000 -0.426 0.000 1.155 128 F HN 0.483 nan 8.300 nan 0.000 0.461 129 P HA 0.018 nan 4.420 nan 0.000 0.271 129 P C 0.915 178.146 177.300 -0.115 0.000 1.244 129 P CA -0.104 62.895 63.100 -0.168 0.000 0.793 129 P CB 0.744 32.441 31.700 -0.004 0.000 0.984 130 E N 1.424 121.579 120.200 -0.076 0.000 2.085 130 E HA -0.295 4.057 4.350 0.003 0.000 0.194 130 E C 1.710 178.137 176.600 -0.288 0.000 0.994 130 E CA 1.480 57.735 56.400 -0.241 0.000 0.801 130 E CB -0.193 29.253 29.700 -0.425 0.000 0.743 130 E HN 0.239 nan 8.360 nan 0.000 0.453 131 K N -0.042 120.201 120.400 -0.262 0.000 2.074 131 K HA -0.199 4.122 4.320 0.003 0.000 0.209 131 K C 1.950 178.457 176.600 -0.154 0.000 1.048 131 K CA 1.487 57.614 56.287 -0.267 0.000 0.926 131 K CB -0.109 32.116 32.500 -0.458 0.000 0.713 131 K HN 0.130 nan 8.250 nan 0.000 0.444 132 L N 0.584 121.754 121.223 -0.089 0.000 2.127 132 L HA -0.028 4.314 4.340 0.003 0.000 0.203 132 L C 2.056 178.907 176.870 -0.032 0.000 1.080 132 L CA 0.944 55.772 54.840 -0.019 0.000 0.768 132 L CB -0.407 41.682 42.059 0.050 0.000 0.924 132 L HN 0.223 nan 8.230 nan 0.000 0.444 133 I N -0.196 120.310 120.570 -0.107 0.000 2.248 133 I HA -0.327 3.844 4.170 0.003 0.000 0.248 133 I C 2.352 178.482 176.117 0.020 0.000 1.107 133 I CA 1.457 62.702 61.300 -0.093 0.000 1.373 133 I CB -0.983 37.006 38.000 -0.018 0.000 1.055 133 I HN 0.339 nan 8.210 nan 0.000 0.418 134 R N 0.514 120.976 120.500 -0.065 0.000 2.316 134 R HA -0.083 4.259 4.340 0.003 0.000 0.202 134 R C 1.656 177.943 176.300 -0.021 0.000 1.029 134 R CA 0.375 56.437 56.100 -0.063 0.000 1.018 134 R CB -0.047 30.158 30.300 -0.158 0.000 0.888 134 R HN 0.523 nan 8.270 nan 0.000 0.471 135 E N -0.406 119.804 120.200 0.016 0.000 2.481 135 E HA -0.016 4.335 4.350 0.003 0.000 0.195 135 E C -0.299 176.151 176.600 -0.251 0.000 1.047 135 E CA 0.341 56.666 56.400 -0.125 0.000 0.867 135 E CB 0.233 29.810 29.700 -0.204 0.000 0.858 135 E HN 0.090 nan 8.360 nan 0.000 0.513 136 F N 0.232 120.102 119.950 -0.133 0.000 2.461 136 F HA 0.209 4.738 4.527 0.003 0.000 0.332 136 F C 1.372 177.127 175.800 -0.075 0.000 1.073 136 F CA -0.802 57.134 58.000 -0.106 0.000 1.017 136 F CB 0.842 39.769 39.000 -0.122 0.000 1.301 136 F HN -0.240 nan 8.300 nan 0.000 0.492 137 D N -0.378 120.100 120.400 0.129 0.000 2.455 137 D HA 0.238 4.879 4.640 0.003 0.000 0.228 137 D C 0.992 177.319 176.300 0.045 0.000 1.070 137 D CA 1.047 55.073 54.000 0.044 0.000 0.881 137 D CB 0.625 41.418 40.800 -0.012 0.000 1.087 137 D HN 0.698 nan 8.370 nan 0.000 0.498 138 G N 1.977 110.826 108.800 0.082 0.000 2.855 138 G HA2 -0.214 3.748 3.960 0.003 0.000 0.352 138 G HA3 -0.214 3.748 3.960 0.003 0.000 0.352 138 G C -2.659 172.239 174.900 -0.003 0.000 1.415 138 G CA -1.072 44.048 45.100 0.034 0.000 0.871 138 G HN -0.048 nan 8.290 nan 0.000 0.543 139 P HA 0.270 nan 4.420 nan 0.000 0.259 139 P C 0.966 178.227 177.300 -0.065 0.000 1.163 139 P CA 1.119 64.204 63.100 -0.025 0.000 0.760 139 P CB 0.549 32.231 31.700 -0.029 0.000 0.762 140 A N 2.769 125.532 122.820 -0.094 0.000 1.930 140 A HA -0.129 4.193 4.320 0.003 0.000 0.217 140 A C 1.299 178.605 177.584 -0.463 0.000 1.175 140 A CA 1.602 53.468 52.037 -0.285 0.000 0.627 140 A CB -0.993 17.806 19.000 -0.335 0.000 0.815 140 A HN 0.492 nan 8.150 nan 0.000 0.443 141 F N -1.539 118.381 119.950 -0.051 0.000 2.479 141 F HA 0.442 4.971 4.527 0.003 0.000 0.280 141 F C 1.688 177.453 175.800 -0.059 0.000 0.982 141 F CA 0.672 58.642 58.000 -0.048 0.000 1.276 141 F CB -0.635 38.334 39.000 -0.050 0.000 1.137 141 F HN 0.485 nan 8.300 nan 0.000 0.660 142 G N 0.979 109.862 108.800 0.138 0.000 2.782 142 G HA2 -0.258 3.704 3.960 0.003 0.000 0.228 142 G HA3 -0.258 3.704 3.960 0.003 0.000 0.228 142 G C 0.691 175.541 174.900 -0.084 0.000 1.372 142 G CA -0.173 44.922 45.100 -0.008 0.000 0.862 142 G HN 0.246 nan 8.290 nan 0.000 0.547 143 I N 0.154 120.531 120.570 -0.322 0.000 2.163 143 I HA -0.171 4.000 4.170 0.003 0.000 0.243 143 I C 2.660 178.583 176.117 -0.323 0.000 1.085 143 I CA 2.305 63.166 61.300 -0.732 0.000 1.347 143 I CB -0.256 37.218 38.000 -0.878 0.000 1.044 143 I HN 0.811 nan 8.210 nan 0.000 0.408 144 E N 1.026 121.127 120.200 -0.164 0.000 2.031 144 E HA -0.210 4.141 4.350 0.003 0.000 0.193 144 E C 2.280 178.903 176.600 0.038 0.000 0.994 144 E CA 1.485 57.855 56.400 -0.048 0.000 0.800 144 E CB -0.280 29.399 29.700 -0.034 0.000 0.752 144 E HN 0.510 nan 8.360 nan 0.000 0.447 145 G N 0.558 109.411 108.800 0.088 0.000 2.446 145 G HA2 -0.256 3.706 3.960 0.003 0.000 0.217 145 G HA3 -0.256 3.706 3.960 0.003 0.000 0.217 145 G C 1.657 176.668 174.900 0.185 0.000 1.168 145 G CA 1.210 46.450 45.100 0.233 0.000 0.771 145 G HN 0.250 nan 8.290 nan 0.000 0.551 146 V N 0.552 120.556 119.914 0.151 0.000 2.307 146 V HA -0.144 3.977 4.120 0.003 0.000 0.245 146 V C 2.864 179.077 176.094 0.199 0.000 1.045 146 V CA 1.964 64.356 62.300 0.153 0.000 1.024 146 V CB -0.563 31.473 31.823 0.355 0.000 0.651 146 V HN 0.281 nan 8.190 nan 0.000 0.449 147 R N 0.073 120.713 120.500 0.234 0.000 2.091 147 R HA -0.219 4.122 4.340 0.003 0.000 0.238 147 R C 2.477 178.855 176.300 0.129 0.000 1.136 147 R CA 1.867 58.091 56.100 0.207 0.000 0.959 147 R CB -0.349 30.056 30.300 0.174 0.000 0.856 147 R HN 0.461 nan 8.270 nan 0.000 0.437 148 K N 0.591 121.053 120.400 0.104 0.000 2.097 148 K HA -0.138 4.184 4.320 0.003 0.000 0.205 148 K C 2.130 178.776 176.600 0.076 0.000 1.050 148 K CA 1.191 57.529 56.287 0.084 0.000 0.938 148 K CB -0.000 32.550 32.500 0.083 0.000 0.718 148 K HN 0.105 nan 8.250 nan 0.000 0.442 149 M N 0.519 120.161 119.600 0.070 0.000 2.067 149 M HA -0.158 4.324 4.480 0.003 0.000 0.260 149 M C 1.605 177.937 176.300 0.054 0.000 1.069 149 M CA 1.639 56.958 55.300 0.031 0.000 1.117 149 M CB 0.041 32.601 32.600 -0.068 0.000 1.334 149 M HN 0.143 nan 8.290 nan 0.000 0.407 150 L N -0.221 121.055 121.223 0.088 0.000 2.492 150 L HA 0.042 4.384 4.340 0.003 0.000 0.223 150 L C 0.237 177.155 176.870 0.080 0.000 1.132 150 L CA 0.263 55.161 54.840 0.097 0.000 0.850 150 L CB -0.324 41.814 42.059 0.130 0.000 0.966 150 L HN 0.400 nan 8.230 nan 0.000 0.454 151 E N 0.768 121.015 120.200 0.079 0.000 2.416 151 E HA -0.194 4.158 4.350 0.003 0.000 0.249 151 E C -0.525 176.116 176.600 0.068 0.000 1.124 151 E CA 0.040 56.480 56.400 0.067 0.000 0.732 151 E CB -0.846 28.886 29.700 0.053 0.000 1.286 151 E HN 0.233 nan 8.360 nan 0.000 0.394 152 I N 1.008 121.631 120.570 0.088 0.000 2.390 152 I HA 0.133 4.305 4.170 0.003 0.000 0.283 152 I C 1.150 177.326 176.117 0.099 0.000 1.016 152 I CA -0.409 60.943 61.300 0.087 0.000 1.151 152 I CB 1.347 39.408 38.000 0.100 0.000 1.293 152 I HN -0.026 nan 8.210 nan 0.000 0.458 153 K N 4.383 124.828 120.400 0.075 0.000 1.980 153 K HA -0.056 4.265 4.320 0.003 0.000 0.208 153 K C 0.854 177.500 176.600 0.077 0.000 1.043 153 K CA 2.089 58.419 56.287 0.070 0.000 0.938 153 K CB 0.292 32.822 32.500 0.051 0.000 0.724 153 K HN 0.544 nan 8.250 nan 0.000 0.438 154 D N -1.006 119.432 120.400 0.065 0.000 2.716 154 D HA 0.075 4.717 4.640 0.003 0.000 0.273 154 D C -0.090 176.248 176.300 0.065 0.000 1.024 154 D CA 0.023 54.061 54.000 0.062 0.000 0.944 154 D CB 0.070 40.894 40.800 0.041 0.000 1.186 154 D HN 0.162 nan 8.370 nan 0.000 0.485 155 R N 1.415 121.942 120.500 0.044 0.000 2.861 155 R HA 0.217 4.558 4.340 0.003 0.000 0.268 155 R C -2.469 173.857 176.300 0.043 0.000 1.027 155 R CA -0.865 55.250 56.100 0.026 0.000 1.163 155 R CB -0.748 29.553 30.300 0.001 0.000 1.060 155 R HN -0.115 nan 8.270 nan 0.000 0.483 156 P HA 0.105 nan 4.420 nan 0.000 0.275 156 P C -0.521 176.768 177.300 -0.018 0.000 1.266 156 P CA -0.393 62.709 63.100 0.002 0.000 0.793 156 P CB 0.433 32.121 31.700 -0.020 0.000 1.074 157 I N 1.137 121.656 120.570 -0.085 0.000 2.353 157 I HA 0.207 4.378 4.170 0.003 0.000 0.293 157 I C -0.337 175.803 176.117 0.039 0.000 0.992 157 I CA -0.516 60.760 61.300 -0.040 0.000 1.268 157 I CB 0.162 38.083 38.000 -0.133 0.000 1.387 157 I HN 0.371 nan 8.210 nan 0.000 0.478 158 Y N 5.539 125.746 120.300 -0.156 0.000 2.393 158 Y HA 0.778 5.330 4.550 0.003 0.000 0.341 158 Y C -0.167 175.326 175.900 -0.677 0.000 0.988 158 Y CA -1.066 56.856 58.100 -0.297 0.000 1.078 158 Y CB 1.819 40.134 38.460 -0.241 0.000 1.203 158 Y HN 0.622 nan 8.280 nan 0.000 0.453 159 G N 3.657 111.564 108.800 -1.488 0.000 2.698 159 G HA2 0.523 4.485 3.960 0.003 0.000 0.293 159 G HA3 0.523 4.485 3.960 0.003 0.000 0.293 159 G C -2.302 171.825 174.900 -1.289 0.000 1.437 159 G CA -0.517 43.149 45.100 -2.390 0.000 0.852 159 G HN 1.013 nan 8.290 nan 0.000 0.499 160 V N 0.131 119.510 119.914 -0.891 0.000 2.864 160 V HA 0.844 4.966 4.120 0.003 0.000 0.314 160 V C -0.996 175.008 176.094 -0.150 0.000 1.073 160 V CA -0.747 61.330 62.300 -0.371 0.000 0.956 160 V CB 2.009 33.660 31.823 -0.286 0.000 1.023 160 V HN 0.702 nan 8.190 nan 0.000 0.435 161 V N 6.617 126.516 119.914 -0.025 0.000 2.370 161 V HA 0.452 4.573 4.120 0.003 0.000 0.283 161 V C -2.260 173.866 176.094 0.053 0.000 1.023 161 V CA -1.970 60.374 62.300 0.074 0.000 0.857 161 V CB 1.618 33.517 31.823 0.127 0.000 0.985 161 V HN 0.936 nan 8.190 nan 0.000 0.443 162 P HA -0.039 nan 4.420 nan 0.000 0.261 162 P C 0.594 177.898 177.300 0.007 0.000 1.165 162 P CA 0.316 63.396 63.100 -0.033 0.000 0.759 162 P CB 0.513 32.121 31.700 -0.153 0.000 0.772 163 K N 4.825 125.216 120.400 -0.014 0.000 2.031 163 K HA -0.032 4.289 4.320 0.003 0.000 0.205 163 K C -0.686 175.945 176.600 0.052 0.000 1.049 163 K CA 1.753 58.058 56.287 0.029 0.000 0.939 163 K CB -1.706 30.811 32.500 0.029 0.000 0.717 163 K HN 0.415 nan 8.250 nan 0.000 0.438 164 P HA -0.118 nan 4.420 nan 0.000 0.236 164 P C 0.382 177.772 177.300 0.150 0.000 1.172 164 P CA 0.849 64.000 63.100 0.084 0.000 0.759 164 P CB -0.013 31.736 31.700 0.081 0.000 0.843 165 K N -3.106 117.404 120.400 0.184 0.000 4.606 165 K HA -0.247 4.075 4.320 0.003 0.000 0.363 165 K C -0.209 176.601 176.600 0.350 0.000 0.635 165 K CA 1.739 58.182 56.287 0.260 0.000 1.549 165 K CB -2.188 30.402 32.500 0.151 0.000 1.342 165 K HN 0.132 nan 8.250 nan 0.000 0.548 166 V N -0.061 120.000 119.914 0.246 0.000 2.891 166 V HA 0.577 4.699 4.120 0.003 0.000 0.304 166 V C 0.645 176.735 176.094 -0.008 0.000 1.171 166 V CA -0.133 62.222 62.300 0.091 0.000 0.943 166 V CB 1.541 33.402 31.823 0.064 0.000 1.037 166 V HN 0.742 nan 8.190 nan 0.000 0.427 167 G N 3.593 112.255 108.800 -0.231 0.000 2.183 167 G HA2 -0.149 3.813 3.960 0.003 0.000 0.168 167 G HA3 -0.149 3.813 3.960 0.003 0.000 0.168 167 G C -0.399 174.327 174.900 -0.290 0.000 1.008 167 G CA 0.128 44.918 45.100 -0.517 0.000 0.677 167 G HN 1.372 nan 8.290 nan 0.000 0.498 168 Y N 1.263 121.498 120.300 -0.109 0.000 2.420 168 Y HA 0.826 5.377 4.550 0.002 0.000 0.334 168 Y C 0.458 176.378 175.900 0.033 0.000 1.094 168 Y CA -1.058 57.025 58.100 -0.028 0.000 1.126 168 Y CB 1.217 39.702 38.460 0.042 0.000 1.217 168 Y HN 0.448 nan 8.280 nan 0.000 0.462 169 S N 1.042 116.828 115.700 0.144 0.000 2.652 169 S HA 0.411 4.883 4.470 0.003 0.000 0.270 169 S C -2.209 172.480 174.600 0.149 0.000 1.243 169 S CA -1.322 56.928 58.200 0.083 0.000 0.999 169 S CB 1.628 64.873 63.200 0.076 0.000 0.973 169 S HN 0.588 nan 8.310 nan 0.000 0.544 170 P HA -0.050 nan 4.420 nan 0.000 0.217 170 P C 0.857 178.242 177.300 0.141 0.000 1.150 170 P CA 1.159 64.313 63.100 0.089 0.000 0.832 170 P CB -0.027 31.669 31.700 -0.007 0.000 0.787 171 E N -0.245 120.010 120.200 0.091 0.000 2.153 171 E HA -0.173 4.179 4.350 0.003 0.000 0.194 171 E C 1.849 178.496 176.600 0.078 0.000 0.988 171 E CA 1.111 57.550 56.400 0.064 0.000 0.811 171 E CB -0.580 29.147 29.700 0.044 0.000 0.746 171 E HN 0.435 nan 8.360 nan 0.000 0.466 172 E N -0.109 120.167 120.200 0.127 0.000 2.051 172 E HA -0.108 4.243 4.350 0.003 0.000 0.189 172 E C 1.723 178.399 176.600 0.126 0.000 0.979 172 E CA 0.611 57.081 56.400 0.115 0.000 0.803 172 E CB -0.227 29.561 29.700 0.146 0.000 0.761 172 E HN 0.191 nan 8.360 nan 0.000 0.451 173 F N 2.644 122.634 119.950 0.066 0.000 2.154 173 F HA -0.272 4.257 4.527 0.002 0.000 0.301 173 F C 2.193 177.952 175.800 -0.067 0.000 1.087 173 F CA 1.929 59.923 58.000 -0.009 0.000 1.274 173 F CB -0.084 39.016 39.000 0.166 0.000 1.009 173 F HN -0.002 nan 8.300 nan 0.000 0.485 174 E N 0.388 120.591 120.200 0.004 0.000 2.049 174 E HA -0.317 4.035 4.350 0.003 0.000 0.198 174 E C 2.216 178.716 176.600 -0.166 0.000 1.007 174 E CA 2.043 58.371 56.400 -0.121 0.000 0.809 174 E CB -0.193 29.477 29.700 -0.049 0.000 0.749 174 E HN 0.466 nan 8.360 nan 0.000 0.450 175 K N 0.001 120.340 120.400 -0.101 0.000 2.026 175 K HA -0.167 4.155 4.320 0.003 0.000 0.208 175 K C 2.249 178.795 176.600 -0.090 0.000 1.048 175 K CA 1.265 57.515 56.287 -0.062 0.000 0.929 175 K CB -0.279 32.199 32.500 -0.037 0.000 0.713 175 K HN 0.126 nan 8.250 nan 0.000 0.439 176 L N 1.084 122.200 121.223 -0.179 0.000 1.989 176 L HA -0.177 4.165 4.340 0.003 0.000 0.211 176 L C 2.196 178.875 176.870 -0.319 0.000 1.071 176 L CA 2.037 56.737 54.840 -0.233 0.000 0.749 176 L CB -0.792 41.101 42.059 -0.277 0.000 0.890 176 L HN 0.173 nan 8.230 nan 0.000 0.431 177 A N -1.479 121.023 122.820 -0.530 0.000 1.948 177 A HA -0.319 4.003 4.320 0.003 0.000 0.220 177 A C 2.299 179.723 177.584 -0.268 0.000 1.177 177 A CA 2.089 53.785 52.037 -0.568 0.000 0.636 177 A CB -1.248 17.214 19.000 -0.897 0.000 0.815 177 A HN 0.666 nan 8.150 nan 0.000 0.449 178 Y N 1.144 121.264 120.300 -0.300 0.000 2.114 178 Y HA -0.196 4.355 4.550 0.003 0.000 0.284 178 Y C 1.914 177.710 175.900 -0.173 0.000 1.143 178 Y CA 1.865 59.843 58.100 -0.204 0.000 1.135 178 Y CB -0.724 37.641 38.460 -0.160 0.000 0.980 178 Y HN 0.403 nan 8.280 nan 0.000 0.499 179 D N 0.148 120.407 120.400 -0.234 0.000 2.120 179 D HA -0.225 4.417 4.640 0.003 0.000 0.191 179 D C 2.371 178.494 176.300 -0.294 0.000 0.994 179 D CA 1.852 55.670 54.000 -0.303 0.000 0.838 179 D CB -0.615 40.086 40.800 -0.165 0.000 0.976 179 D HN 0.210 nan 8.370 nan 0.000 0.447 180 L N 0.298 121.375 121.223 -0.243 0.000 2.034 180 L HA -0.213 4.128 4.340 0.003 0.000 0.217 180 L C 2.521 179.237 176.870 -0.257 0.000 1.077 180 L CA 1.458 56.157 54.840 -0.236 0.000 0.769 180 L CB -1.218 40.684 42.059 -0.261 0.000 0.890 180 L HN 0.224 nan 8.230 nan 0.000 0.435 181 L N -0.341 120.719 121.223 -0.273 0.000 2.027 181 L HA -0.158 4.183 4.340 0.003 0.000 0.206 181 L C 2.499 179.232 176.870 -0.227 0.000 1.074 181 L CA 1.510 56.207 54.840 -0.239 0.000 0.745 181 L CB -0.534 41.414 42.059 -0.185 0.000 0.898 181 L HN 0.367 nan 8.230 nan 0.000 0.433 182 S N -1.719 113.785 115.700 -0.326 0.000 2.603 182 S HA -0.071 4.400 4.470 0.003 0.000 0.229 182 S C 0.989 175.448 174.600 -0.235 0.000 0.972 182 S CA 0.358 58.369 58.200 -0.314 0.000 0.935 182 S CB -0.572 62.297 63.200 -0.552 0.000 0.769 182 S HN 0.465 nan 8.310 nan 0.000 0.536 183 N N 0.623 119.198 118.700 -0.208 0.000 2.389 183 N HA 0.375 5.117 4.740 0.003 0.000 0.260 183 N C 0.616 176.078 175.510 -0.080 0.000 1.191 183 N CA 0.135 53.100 53.050 -0.141 0.000 0.885 183 N CB 0.677 39.075 38.487 -0.148 0.000 1.162 183 N HN 0.530 nan 8.380 nan 0.000 0.512 184 G N 0.157 108.913 108.800 -0.073 0.000 2.159 184 G HA2 -0.231 3.731 3.960 0.003 0.000 0.227 184 G HA3 -0.231 3.731 3.960 0.003 0.000 0.227 184 G C 0.078 174.991 174.900 0.021 0.000 0.986 184 G CA -0.038 45.053 45.100 -0.014 0.000 0.651 184 G HN 0.449 nan 8.290 nan 0.000 0.523 185 A N 0.146 122.891 122.820 -0.124 0.000 2.309 185 A HA 0.649 4.970 4.320 0.003 0.000 0.298 185 A C 1.026 178.401 177.584 -0.349 0.000 1.165 185 A CA 0.415 52.206 52.037 -0.409 0.000 0.821 185 A CB 0.556 19.201 19.000 -0.591 0.000 1.102 185 A HN 0.101 nan 8.150 nan 0.000 0.500 186 D N -0.084 120.067 120.400 -0.414 0.000 2.162 186 D HA 0.072 4.714 4.640 0.003 0.000 0.203 186 D C 0.066 176.259 176.300 -0.177 0.000 0.967 186 D CA 2.060 55.934 54.000 -0.210 0.000 0.840 186 D CB 0.028 40.769 40.800 -0.099 0.000 0.972 186 D HN 0.703 nan 8.370 nan 0.000 0.482 187 Y N -1.725 118.329 120.300 -0.409 0.000 2.705 187 Y HA 0.612 5.164 4.550 0.003 0.000 0.332 187 Y C -1.471 174.163 175.900 -0.444 0.000 1.221 187 Y CA -1.670 56.172 58.100 -0.430 0.000 1.059 187 Y CB 0.850 38.890 38.460 -0.700 0.000 1.298 187 Y HN -0.317 nan 8.280 nan 0.000 0.459 188 M N 2.628 122.259 119.600 0.053 0.000 2.465 188 M HA 0.507 4.989 4.480 0.003 0.000 0.316 188 M C -1.331 175.153 176.300 0.307 0.000 1.121 188 M CA -0.754 54.611 55.300 0.107 0.000 0.934 188 M CB 2.045 34.721 32.600 0.127 0.000 1.692 188 M HN 0.732 nan 8.290 nan 0.000 0.444 189 K N 2.624 123.177 120.400 0.255 0.000 2.397 189 K HA 0.419 4.741 4.320 0.003 0.000 0.253 189 K C -1.346 175.430 176.600 0.294 0.000 0.932 189 K CA -0.664 55.745 56.287 0.202 0.000 0.795 189 K CB 1.224 33.791 32.500 0.111 0.000 1.159 189 K HN 0.618 nan 8.250 nan 0.000 0.424 190 D N 2.120 122.683 120.400 0.272 0.000 2.362 190 D HA -0.011 4.630 4.640 0.003 0.000 0.242 190 D C -0.423 175.980 176.300 0.172 0.000 1.132 190 D CA 0.219 54.353 54.000 0.223 0.000 0.907 190 D CB 0.978 41.864 40.800 0.145 0.000 1.195 190 D HN 0.569 nan 8.370 nan 0.000 0.429 191 D N 1.026 121.513 120.400 0.145 0.000 2.341 191 D HA -0.065 4.577 4.640 0.003 0.000 0.245 191 D C 1.373 177.669 176.300 -0.008 0.000 1.106 191 D CA -0.259 53.802 54.000 0.102 0.000 0.905 191 D CB 1.032 41.899 40.800 0.113 0.000 1.202 191 D HN 0.341 nan 8.370 nan 0.000 0.426 192 E N 2.902 123.021 120.200 -0.135 0.000 2.284 192 E HA -0.277 4.074 4.350 0.003 0.000 0.200 192 E C 0.491 176.973 176.600 -0.198 0.000 1.008 192 E CA 1.463 57.645 56.400 -0.364 0.000 0.829 192 E CB -0.536 28.681 29.700 -0.805 0.000 0.744 192 E HN 0.557 nan 8.360 nan 0.000 0.491 193 N N 0.247 118.884 118.700 -0.106 0.000 2.177 193 N HA 0.098 4.840 4.740 0.003 0.000 0.218 193 N C 0.247 175.726 175.510 -0.051 0.000 1.182 193 N CA -0.271 52.736 53.050 -0.072 0.000 0.882 193 N CB 0.387 38.844 38.487 -0.050 0.000 1.052 193 N HN 0.059 nan 8.380 nan 0.000 0.519 194 L N 2.400 123.595 121.223 -0.046 0.000 2.302 194 L HA 0.330 4.671 4.340 0.003 0.000 0.285 194 L C 0.250 177.074 176.870 -0.077 0.000 1.090 194 L CA 0.172 54.968 54.840 -0.073 0.000 0.866 194 L CB 0.214 42.235 42.059 -0.063 0.000 1.244 194 L HN 0.349 nan 8.230 nan 0.000 0.435 195 T N 0.760 115.258 114.554 -0.092 0.000 3.074 195 T HA 0.067 4.419 4.350 0.003 0.000 0.181 195 T C 0.702 175.371 174.700 -0.052 0.000 0.714 195 T CA 0.062 62.132 62.100 -0.050 0.000 2.341 195 T CB 0.161 68.996 68.868 -0.056 0.000 2.346 195 T HN 0.434 nan 8.240 nan 0.000 0.391 196 S N 2.658 118.307 115.700 -0.085 0.000 2.235 196 S HA 0.505 4.977 4.470 0.003 0.000 0.152 196 S C -2.896 171.590 174.600 -0.190 0.000 1.649 196 S CA -1.222 56.923 58.200 -0.092 0.000 1.277 196 S CB -0.243 62.971 63.200 0.024 0.000 1.299 196 S HN 0.334 nan 8.310 nan 0.000 0.388 197 P HA 0.230 nan 4.420 nan 0.000 0.276 197 P C 1.424 178.398 177.300 -0.542 0.000 1.252 197 P CA -0.787 61.990 63.100 -0.538 0.000 0.802 197 P CB 0.244 31.314 31.700 -1.050 0.000 1.035 198 W N 1.671 122.806 121.300 -0.274 0.000 2.304 198 W HA -0.272 4.389 4.660 0.002 0.000 0.315 198 W C 1.224 177.671 176.519 -0.121 0.000 1.233 198 W CA 1.503 58.768 57.345 -0.133 0.000 1.261 198 W CB -2.065 27.384 29.460 -0.018 0.000 1.150 198 W HN 0.437 nan 8.180 nan 0.000 0.494 199 Y N 0.693 120.393 120.300 -0.999 0.000 2.632 199 Y HA 0.298 4.850 4.550 0.003 0.000 0.301 199 Y C 0.494 176.120 175.900 -0.455 0.000 1.172 199 Y CA 0.685 58.254 58.100 -0.884 0.000 1.328 199 Y CB -1.084 36.460 38.460 -1.527 0.000 1.016 199 Y HN -0.033 nan 8.280 nan 0.000 0.529 200 N N 1.185 119.530 118.700 -0.591 0.000 3.153 200 N HA 0.071 4.812 4.740 0.003 0.000 0.208 200 N C -1.523 173.791 175.510 -0.328 0.000 1.462 200 N CA -0.244 52.565 53.050 -0.403 0.000 0.754 200 N CB 0.606 38.796 38.487 -0.494 0.000 1.558 200 N HN 0.069 nan 8.380 nan 0.000 0.605 201 R N 1.485 121.884 120.500 -0.168 0.000 2.490 201 R HA 0.160 4.502 4.340 0.003 0.000 0.280 201 R C 1.338 177.637 176.300 -0.002 0.000 1.077 201 R CA -0.426 55.636 56.100 -0.062 0.000 1.065 201 R CB 0.126 30.425 30.300 -0.001 0.000 1.003 201 R HN 0.447 nan 8.270 nan 0.000 0.470 202 F N 2.762 122.674 119.950 -0.062 0.000 2.091 202 F HA -0.285 4.243 4.527 0.003 0.000 0.299 202 F C 1.509 177.337 175.800 0.047 0.000 1.103 202 F CA 2.060 60.061 58.000 0.002 0.000 1.228 202 F CB 0.180 39.176 39.000 -0.007 0.000 0.984 202 F HN 0.550 nan 8.300 nan 0.000 0.477 203 E N 0.479 120.877 120.200 0.329 0.000 2.058 203 E HA -0.214 4.138 4.350 0.003 0.000 0.194 203 E C 2.139 178.778 176.600 0.066 0.000 0.997 203 E CA 1.897 58.430 56.400 0.222 0.000 0.801 203 E CB -0.525 29.268 29.700 0.156 0.000 0.746 203 E HN 0.558 nan 8.360 nan 0.000 0.450 204 E N 0.339 120.553 120.200 0.023 0.000 2.058 204 E HA -0.218 4.133 4.350 0.003 0.000 0.194 204 E C 2.239 178.795 176.600 -0.073 0.000 0.997 204 E CA 0.931 57.321 56.400 -0.017 0.000 0.801 204 E CB -0.137 29.552 29.700 -0.018 0.000 0.746 204 E HN 0.112 nan 8.360 nan 0.000 0.450 205 R N 0.705 121.126 120.500 -0.132 0.000 2.080 205 R HA -0.170 4.172 4.340 0.003 0.000 0.236 205 R C 2.300 178.396 176.300 -0.340 0.000 1.137 205 R CA 1.475 57.432 56.100 -0.238 0.000 0.943 205 R CB -0.279 29.841 30.300 -0.300 0.000 0.846 205 R HN 0.148 nan 8.270 nan 0.000 0.431 206 A N 0.804 123.470 122.820 -0.256 0.000 1.902 206 A HA -0.219 4.103 4.320 0.003 0.000 0.217 206 A C 2.014 179.545 177.584 -0.088 0.000 1.181 206 A CA 1.718 53.675 52.037 -0.132 0.000 0.623 206 A CB -0.559 18.507 19.000 0.110 0.000 0.818 206 A HN 0.605 nan 8.150 nan 0.000 0.443 207 E N -0.402 119.769 120.200 -0.047 0.000 2.153 207 E HA -0.143 4.208 4.350 0.003 0.000 0.194 207 E C 1.825 178.387 176.600 -0.063 0.000 0.988 207 E CA 1.072 57.457 56.400 -0.024 0.000 0.811 207 E CB -0.171 29.527 29.700 -0.004 0.000 0.746 207 E HN 0.693 nan 8.360 nan 0.000 0.466 208 I N -0.024 120.483 120.570 -0.104 0.000 2.233 208 I HA -0.236 3.935 4.170 0.003 0.000 0.243 208 I C 2.434 178.461 176.117 -0.150 0.000 1.093 208 I CA 0.585 61.821 61.300 -0.106 0.000 1.380 208 I CB -0.128 37.823 38.000 -0.081 0.000 1.067 208 I HN 0.259 nan 8.210 nan 0.000 0.413 209 M N 1.030 120.469 119.600 -0.267 0.000 2.082 209 M HA -0.224 4.258 4.480 0.003 0.000 0.258 209 M C 2.338 178.549 176.300 -0.147 0.000 1.069 209 M CA 2.319 57.415 55.300 -0.339 0.000 1.102 209 M CB -0.620 31.475 32.600 -0.842 0.000 1.336 209 M HN 0.269 nan 8.290 nan 0.000 0.404 210 A N -0.592 122.183 122.820 -0.075 0.000 1.948 210 A HA -0.246 4.076 4.320 0.003 0.000 0.220 210 A C 2.190 179.767 177.584 -0.012 0.000 1.177 210 A CA 2.116 54.158 52.037 0.008 0.000 0.636 210 A CB -0.700 18.323 19.000 0.038 0.000 0.815 210 A HN 0.582 nan 8.150 nan 0.000 0.449 211 K N -0.599 119.776 120.400 -0.040 0.000 2.025 211 K HA -0.032 4.290 4.320 0.003 0.000 0.207 211 K C 1.897 178.466 176.600 -0.052 0.000 1.049 211 K CA 1.472 57.732 56.287 -0.044 0.000 0.933 211 K CB -0.349 32.115 32.500 -0.060 0.000 0.714 211 K HN 0.539 nan 8.250 nan 0.000 0.438 212 I N 1.269 121.796 120.570 -0.072 0.000 2.113 212 I HA -0.304 3.868 4.170 0.003 0.000 0.238 212 I C 2.315 178.432 176.117 0.001 0.000 1.070 212 I CA 1.382 62.650 61.300 -0.054 0.000 1.332 212 I CB -0.373 37.581 38.000 -0.077 0.000 1.044 212 I HN 0.134 nan 8.210 nan 0.000 0.402 213 I N 0.568 121.133 120.570 -0.008 0.000 2.381 213 I HA -0.362 3.809 4.170 0.003 0.000 0.255 213 I C 2.283 178.419 176.117 0.032 0.000 1.140 213 I CA 1.419 62.733 61.300 0.023 0.000 1.404 213 I CB -0.522 37.508 38.000 0.049 0.000 1.075 213 I HN 0.429 nan 8.210 nan 0.000 0.433 214 D N 1.060 121.472 120.400 0.021 0.000 2.137 214 D HA -0.187 4.454 4.640 0.003 0.000 0.202 214 D C 2.137 178.450 176.300 0.022 0.000 0.970 214 D CA 1.103 55.116 54.000 0.021 0.000 0.837 214 D CB 0.193 41.001 40.800 0.013 0.000 0.981 214 D HN 0.304 nan 8.370 nan 0.000 0.475 215 K N 0.709 121.118 120.400 0.016 0.000 1.973 215 K HA -0.117 4.205 4.320 0.003 0.000 0.212 215 K C 2.208 178.852 176.600 0.074 0.000 1.047 215 K CA 1.382 57.684 56.287 0.026 0.000 0.937 215 K CB -0.247 32.244 32.500 -0.016 0.000 0.721 215 K HN -0.080 nan 8.250 nan 0.000 0.440 216 V N 1.867 121.854 119.914 0.121 0.000 2.317 216 V HA -0.277 3.844 4.120 0.003 0.000 0.251 216 V C 2.308 178.429 176.094 0.045 0.000 1.065 216 V CA 2.334 64.700 62.300 0.110 0.000 1.049 216 V CB -0.621 31.248 31.823 0.078 0.000 0.651 216 V HN 0.467 nan 8.190 nan 0.000 0.450 217 E N -0.306 119.916 120.200 0.037 0.000 2.204 217 E HA -0.212 4.140 4.350 0.003 0.000 0.195 217 E C 2.167 178.783 176.600 0.027 0.000 0.990 217 E CA 0.871 57.288 56.400 0.028 0.000 0.821 217 E CB -0.102 29.618 29.700 0.033 0.000 0.750 217 E HN 0.550 nan 8.360 nan 0.000 0.477 218 N N 0.255 118.974 118.700 0.031 0.000 2.250 218 N HA -0.109 4.633 4.740 0.003 0.000 0.181 218 N C 1.303 176.829 175.510 0.026 0.000 1.017 218 N CA 0.900 53.966 53.050 0.027 0.000 0.866 218 N CB 0.278 38.779 38.487 0.024 0.000 0.985 218 N HN 0.292 nan 8.380 nan 0.000 0.429 219 E N -0.390 119.831 120.200 0.035 0.000 2.024 219 E HA -0.066 4.286 4.350 0.003 0.000 0.190 219 E C 1.907 178.515 176.600 0.013 0.000 0.974 219 E CA 1.512 57.930 56.400 0.030 0.000 0.810 219 E CB -0.455 29.276 29.700 0.052 0.000 0.775 219 E HN 0.358 nan 8.360 nan 0.000 0.453 220 T N -1.552 113.004 114.554 0.003 0.000 2.977 220 T HA -0.020 4.331 4.350 0.003 0.000 0.271 220 T C 1.756 176.456 174.700 -0.000 0.000 1.105 220 T CA 1.004 63.098 62.100 -0.011 0.000 1.116 220 T CB -0.369 68.481 68.868 -0.031 0.000 0.878 220 T HN 0.444 nan 8.240 nan 0.000 0.509 221 G N 1.074 109.879 108.800 0.008 0.000 2.189 221 G HA2 -0.276 3.685 3.960 0.003 0.000 0.267 221 G HA3 -0.276 3.685 3.960 0.003 0.000 0.267 221 G C -0.147 174.761 174.900 0.014 0.000 0.975 221 G CA 0.490 45.597 45.100 0.013 0.000 0.644 221 G HN 0.707 nan 8.290 nan 0.000 0.537 222 E N 0.542 120.747 120.200 0.009 0.000 2.242 222 E HA 0.479 4.830 4.350 0.003 0.000 0.275 222 E C -0.069 176.542 176.600 0.018 0.000 1.002 222 E CA -0.926 55.481 56.400 0.012 0.000 0.841 222 E CB 0.894 30.595 29.700 0.001 0.000 1.109 222 E HN -0.032 nan 8.360 nan 0.000 0.394 223 K N 2.562 122.980 120.400 0.030 0.000 2.298 223 K HA 0.281 4.603 4.320 0.003 0.000 0.280 223 K C -0.130 176.495 176.600 0.042 0.000 1.032 223 K CA -0.241 56.071 56.287 0.042 0.000 0.958 223 K CB 0.598 33.130 32.500 0.054 0.000 0.978 223 K HN 0.291 nan 8.250 nan 0.000 0.472 224 K N 0.739 121.168 120.400 0.049 0.000 2.350 224 K HA 0.553 4.874 4.320 0.003 0.000 0.241 224 K C -0.000 176.663 176.600 0.106 0.000 0.994 224 K CA -0.688 55.629 56.287 0.049 0.000 0.839 224 K CB 2.190 34.698 32.500 0.013 0.000 1.244 224 K HN 0.619 nan 8.250 nan 0.000 0.443 225 T N -0.643 113.991 114.554 0.134 0.000 2.754 225 T HA 0.637 4.989 4.350 0.003 0.000 0.296 225 T C -2.089 172.771 174.700 0.267 0.000 1.205 225 T CA -0.594 61.645 62.100 0.230 0.000 1.009 225 T CB 0.879 69.939 68.868 0.320 0.000 1.368 225 T HN 0.553 nan 8.240 nan 0.000 0.509 226 W N 2.692 124.053 121.300 0.102 0.000 3.211 226 W HA 0.629 5.290 4.660 0.002 0.000 0.335 226 W C -2.237 174.418 176.519 0.227 0.000 1.113 226 W CA -1.654 55.733 57.345 0.070 0.000 1.235 226 W CB 0.892 30.405 29.460 0.089 0.000 1.365 226 W HN 0.403 nan 8.180 nan 0.000 0.476 227 F N 5.956 125.663 119.950 -0.405 0.000 2.566 227 F HA 0.486 5.014 4.527 0.003 0.000 0.349 227 F C 0.991 176.272 175.800 -0.865 0.000 1.245 227 F CA -1.240 56.411 58.000 -0.582 0.000 1.169 227 F CB -0.803 37.858 39.000 -0.565 0.000 1.470 227 F HN 0.484 nan 8.300 nan 0.000 0.634 228 A N 3.391 125.518 122.820 -1.156 0.000 2.454 228 A HA 0.109 4.431 4.320 0.003 0.000 0.260 228 A C 0.633 178.001 177.584 -0.360 0.000 1.106 228 A CA -0.458 50.792 52.037 -1.312 0.000 0.780 228 A CB -0.137 17.808 19.000 -1.758 0.000 1.044 228 A HN 0.750 nan 8.150 nan 0.000 0.498 229 N N 2.595 121.220 118.700 -0.126 0.000 2.401 229 N HA 0.261 5.003 4.740 0.003 0.000 0.255 229 N C 0.816 176.428 175.510 0.172 0.000 1.110 229 N CA -0.304 52.759 53.050 0.020 0.000 0.949 229 N CB 0.265 38.762 38.487 0.016 0.000 1.110 229 N HN 0.708 nan 8.380 nan 0.000 0.490 230 I N 0.513 121.115 120.570 0.053 0.000 3.883 230 I HA 0.178 4.350 4.170 0.003 0.000 0.326 230 I C 0.024 176.078 176.117 -0.105 0.000 1.283 230 I CA -0.265 60.988 61.300 -0.078 0.000 1.161 230 I CB 0.068 37.966 38.000 -0.169 0.000 1.012 230 I HN 0.195 nan 8.210 nan 0.000 0.421 231 T N 3.557 118.072 114.554 -0.066 0.000 2.867 231 T HA 0.369 4.721 4.350 0.003 0.000 0.290 231 T C 0.189 174.843 174.700 -0.077 0.000 1.025 231 T CA 0.891 62.945 62.100 -0.077 0.000 1.146 231 T CB 0.332 69.154 68.868 -0.077 0.000 1.024 231 T HN 0.763 nan 8.240 nan 0.000 0.519 232 A N 3.121 125.895 122.820 -0.077 0.000 2.330 232 A HA 0.403 4.725 4.320 0.003 0.000 0.294 232 A C -1.252 176.295 177.584 -0.062 0.000 1.004 232 A CA -0.972 51.023 52.037 -0.069 0.000 0.569 232 A CB 0.191 19.140 19.000 -0.084 0.000 1.464 232 A HN 0.633 nan 8.150 nan 0.000 0.565 233 D N 0.487 120.855 120.400 -0.053 0.000 2.400 233 D HA 0.164 4.806 4.640 0.003 0.000 0.238 233 D C 1.663 177.935 176.300 -0.046 0.000 1.157 233 D CA 0.025 53.998 54.000 -0.045 0.000 0.889 233 D CB 0.783 41.560 40.800 -0.039 0.000 1.199 233 D HN 0.519 nan 8.370 nan 0.000 0.436 234 L N 1.621 122.821 121.223 -0.040 0.000 2.011 234 L HA -0.292 4.050 4.340 0.003 0.000 0.225 234 L C 2.395 179.253 176.870 -0.020 0.000 1.084 234 L CA 1.598 56.421 54.840 -0.029 0.000 0.791 234 L CB -0.241 41.787 42.059 -0.051 0.000 0.898 234 L HN 0.480 nan 8.230 nan 0.000 0.440 235 L N -0.879 120.327 121.223 -0.028 0.000 2.012 235 L HA -0.257 4.085 4.340 0.003 0.000 0.210 235 L C 2.458 179.302 176.870 -0.044 0.000 1.073 235 L CA 1.357 56.183 54.840 -0.023 0.000 0.748 235 L CB -0.603 41.441 42.059 -0.025 0.000 0.891 235 L HN 0.274 nan 8.230 nan 0.000 0.431 236 E N -0.254 119.908 120.200 -0.064 0.000 2.153 236 E HA -0.188 4.164 4.350 0.003 0.000 0.194 236 E C 2.233 178.743 176.600 -0.151 0.000 0.988 236 E CA 1.209 57.547 56.400 -0.104 0.000 0.811 236 E CB -0.165 29.474 29.700 -0.102 0.000 0.746 236 E HN 0.388 nan 8.360 nan 0.000 0.466 237 M N -0.190 119.342 119.600 -0.113 0.000 2.132 237 M HA -0.141 4.341 4.480 0.003 0.000 0.263 237 M C 1.970 178.208 176.300 -0.104 0.000 1.065 237 M CA 1.329 56.553 55.300 -0.127 0.000 1.122 237 M CB -0.229 32.331 32.600 -0.068 0.000 1.365 237 M HN 0.105 nan 8.290 nan 0.000 0.411 238 E N 0.205 120.387 120.200 -0.030 0.000 2.058 238 E HA -0.254 4.098 4.350 0.003 0.000 0.194 238 E C 2.024 178.594 176.600 -0.051 0.000 0.997 238 E CA 1.367 57.776 56.400 0.015 0.000 0.801 238 E CB -0.159 29.587 29.700 0.076 0.000 0.746 238 E HN 0.574 nan 8.360 nan 0.000 0.450 239 Q N 0.216 119.964 119.800 -0.087 0.000 2.124 239 Q HA -0.137 4.205 4.340 0.003 0.000 0.202 239 Q C 2.166 178.042 176.000 -0.207 0.000 0.977 239 Q CA 1.209 56.943 55.803 -0.114 0.000 0.850 239 Q CB -0.030 28.646 28.738 -0.103 0.000 0.901 239 Q HN 0.123 nan 8.270 nan 0.000 0.429 240 R N 0.003 120.294 120.500 -0.349 0.000 2.090 240 R HA -0.042 4.300 4.340 0.003 0.000 0.228 240 R C 2.188 178.266 176.300 -0.371 0.000 1.110 240 R CA 0.809 56.532 56.100 -0.628 0.000 0.973 240 R CB -0.149 29.444 30.300 -1.178 0.000 0.869 240 R HN 0.220 nan 8.270 nan 0.000 0.440 241 L N 0.453 121.509 121.223 -0.277 0.000 2.046 241 L HA -0.197 4.145 4.340 0.003 0.000 0.208 241 L C 2.554 179.139 176.870 -0.475 0.000 1.077 241 L CA 1.439 56.115 54.840 -0.272 0.000 0.747 241 L CB -0.342 41.619 42.059 -0.163 0.000 0.896 241 L HN 0.298 nan 8.230 nan 0.000 0.432 242 E N -0.121 119.832 120.200 -0.411 0.000 2.110 242 E HA -0.192 4.159 4.350 0.003 0.000 0.193 242 E C 2.192 178.654 176.600 -0.230 0.000 0.988 242 E CA 1.313 57.462 56.400 -0.417 0.000 0.804 242 E CB 0.157 29.770 29.700 -0.146 0.000 0.745 242 E HN 0.254 nan 8.360 nan 0.000 0.458 243 V N 1.217 121.064 119.914 -0.113 0.000 2.343 243 V HA -0.261 3.860 4.120 0.003 0.000 0.247 243 V C 2.392 178.525 176.094 0.065 0.000 1.051 243 V CA 1.113 63.429 62.300 0.027 0.000 1.036 243 V CB -0.467 31.449 31.823 0.155 0.000 0.654 243 V HN 0.340 nan 8.190 nan 0.000 0.451 244 L N 0.372 121.629 121.223 0.056 0.000 1.989 244 L HA -0.156 4.186 4.340 0.003 0.000 0.211 244 L C 2.711 179.576 176.870 -0.008 0.000 1.071 244 L CA 2.536 57.420 54.840 0.073 0.000 0.749 244 L CB -1.895 40.185 42.059 0.034 0.000 0.890 244 L HN 0.348 nan 8.230 nan 0.000 0.431 245 A N -0.557 122.171 122.820 -0.153 0.000 1.883 245 A HA -0.246 4.075 4.320 0.003 0.000 0.217 245 A C 2.057 179.630 177.584 -0.018 0.000 1.186 245 A CA 2.007 53.975 52.037 -0.115 0.000 0.624 245 A CB -0.784 18.024 19.000 -0.321 0.000 0.822 245 A HN 0.402 nan 8.150 nan 0.000 0.444 246 D N -0.192 120.190 120.400 -0.030 0.000 2.149 246 D HA -0.113 4.529 4.640 0.003 0.000 0.198 246 D C 1.732 178.055 176.300 0.038 0.000 0.990 246 D CA 1.037 55.048 54.000 0.017 0.000 0.839 246 D CB -0.218 40.592 40.800 0.016 0.000 0.948 246 D HN 0.460 nan 8.370 nan 0.000 0.460 247 L N -1.282 119.972 121.223 0.050 0.000 2.418 247 L HA 0.155 4.497 4.340 0.003 0.000 0.218 247 L C 1.533 178.444 176.870 0.067 0.000 1.125 247 L CA 0.569 55.449 54.840 0.066 0.000 0.835 247 L CB -0.066 42.051 42.059 0.096 0.000 0.953 247 L HN 0.201 nan 8.230 nan 0.000 0.454 248 G N -0.389 108.449 108.800 0.063 0.000 2.132 248 G HA2 -0.208 3.754 3.960 0.003 0.000 0.234 248 G HA3 -0.208 3.754 3.960 0.003 0.000 0.234 248 G C 0.313 175.259 174.900 0.077 0.000 0.989 248 G CA -0.356 44.782 45.100 0.064 0.000 0.676 248 G HN 0.039 nan 8.290 nan 0.000 0.522 249 L N -0.663 120.620 121.223 0.100 0.000 2.425 249 L HA 0.398 4.740 4.340 0.003 0.000 0.225 249 L C 1.733 178.648 176.870 0.075 0.000 1.222 249 L CA 1.084 56.005 54.840 0.135 0.000 0.832 249 L CB 0.128 42.315 42.059 0.214 0.000 1.238 249 L HN 0.284 nan 8.230 nan 0.000 0.533 250 K N -1.410 119.037 120.400 0.078 0.000 2.474 250 K HA 0.198 4.520 4.320 0.003 0.000 0.204 250 K C 0.012 176.466 176.600 -0.243 0.000 1.220 250 K CA -0.084 56.162 56.287 -0.069 0.000 0.966 250 K CB 0.819 33.289 32.500 -0.050 0.000 1.049 250 K HN 0.467 nan 8.250 nan 0.000 0.554 251 H N -0.463 118.569 119.070 -0.064 0.000 2.797 251 H HA 0.669 5.226 4.556 0.003 0.000 0.362 251 H C -1.192 174.032 175.328 -0.173 0.000 1.183 251 H CA -0.887 55.075 56.048 -0.142 0.000 1.197 251 H CB 2.366 32.044 29.762 -0.140 0.000 1.835 251 H HN 0.047 nan 8.280 nan 0.000 0.567 252 A N 2.261 125.043 122.820 -0.063 0.000 2.465 252 A HA 0.432 4.753 4.320 0.003 0.000 0.292 252 A C -0.542 176.971 177.584 -0.119 0.000 1.041 252 A CA -0.751 51.219 52.037 -0.112 0.000 0.718 252 A CB 1.205 20.160 19.000 -0.076 0.000 1.266 252 A HN 0.670 nan 8.150 nan 0.000 0.403 253 M N 1.762 121.289 119.600 -0.122 0.000 2.472 253 M HA 0.909 5.390 4.480 0.003 0.000 0.331 253 M C -1.613 174.635 176.300 -0.085 0.000 1.170 253 M CA -0.653 54.598 55.300 -0.082 0.000 1.009 253 M CB 1.946 34.561 32.600 0.026 0.000 1.672 253 M HN 0.301 nan 8.290 nan 0.000 0.453 254 V N 1.912 121.754 119.914 -0.120 0.000 2.668 254 V HA 0.250 4.371 4.120 0.003 0.000 0.304 254 V C -1.075 174.923 176.094 -0.160 0.000 1.071 254 V CA -0.773 61.448 62.300 -0.132 0.000 0.894 254 V CB 2.070 33.807 31.823 -0.143 0.000 1.008 254 V HN 0.882 nan 8.190 nan 0.000 0.425 255 D N 3.681 123.998 120.400 -0.137 0.000 2.441 255 D HA 0.039 4.681 4.640 0.003 0.000 0.243 255 D C 1.472 177.662 176.300 -0.184 0.000 1.257 255 D CA 0.173 54.088 54.000 -0.142 0.000 1.027 255 D CB 1.465 42.185 40.800 -0.133 0.000 1.084 255 D HN 0.549 nan 8.370 nan 0.000 0.514 256 V N 0.628 120.373 119.914 -0.282 0.000 2.828 256 V HA -0.213 3.909 4.120 0.003 0.000 0.260 256 V C 1.749 177.646 176.094 -0.327 0.000 1.101 256 V CA 0.997 63.055 62.300 -0.402 0.000 1.123 256 V CB -0.571 30.770 31.823 -0.803 0.000 0.704 256 V HN 0.269 nan 8.190 nan 0.000 0.493 257 V N 0.001 119.809 119.914 -0.176 0.000 2.725 257 V HA 0.041 4.163 4.120 0.003 0.000 0.247 257 V C 2.364 178.414 176.094 -0.072 0.000 1.058 257 V CA 1.668 63.930 62.300 -0.063 0.000 1.080 257 V CB -0.179 31.695 31.823 0.085 0.000 0.713 257 V HN 0.438 nan 8.190 nan 0.000 0.465 258 I N 0.097 120.620 120.570 -0.078 0.000 2.353 258 I HA -0.171 4.001 4.170 0.003 0.000 0.248 258 I C 2.525 178.594 176.117 -0.081 0.000 1.119 258 I CA 1.443 62.706 61.300 -0.062 0.000 1.417 258 I CB -0.612 37.349 38.000 -0.066 0.000 1.078 258 I HN 0.270 nan 8.210 nan 0.000 0.421 259 T N 0.402 114.886 114.554 -0.116 0.000 2.684 259 T HA 0.036 4.388 4.350 0.003 0.000 0.267 259 T C 0.943 175.576 174.700 -0.112 0.000 1.036 259 T CA 1.386 63.420 62.100 -0.110 0.000 1.148 259 T CB -0.456 68.335 68.868 -0.127 0.000 0.863 259 T HN 0.674 nan 8.240 nan 0.000 0.436 260 G N -0.986 107.696 108.800 -0.196 0.000 2.612 260 G HA2 -0.115 3.847 3.960 0.003 0.000 0.686 260 G HA3 -0.115 3.847 3.960 0.003 0.000 0.686 260 G C 0.009 174.773 174.900 -0.228 0.000 1.274 260 G CA -0.294 44.672 45.100 -0.223 0.000 0.849 260 G HN 0.347 nan 8.290 nan 0.000 0.595 261 W N 0.385 121.735 121.300 0.083 0.000 2.476 261 W HA 0.238 4.899 4.660 0.003 0.000 0.281 261 W C 2.569 179.121 176.519 0.055 0.000 1.230 261 W CA 1.092 58.488 57.345 0.084 0.000 1.287 261 W CB -0.125 29.373 29.460 0.064 0.000 1.108 261 W HN 0.943 nan 8.180 nan 0.000 0.567 262 G N 0.628 109.562 108.800 0.222 0.000 2.442 262 G HA2 -0.207 3.755 3.960 0.003 0.000 0.219 262 G HA3 -0.207 3.755 3.960 0.003 0.000 0.219 262 G C 1.582 176.535 174.900 0.089 0.000 1.141 262 G CA 1.485 46.660 45.100 0.126 0.000 0.763 262 G HN 0.310 nan 8.290 nan 0.000 0.554 263 A N -0.458 122.407 122.820 0.074 0.000 2.140 263 A HA 0.471 4.792 4.320 0.003 0.000 0.209 263 A C 2.235 179.895 177.584 0.127 0.000 1.181 263 A CA 0.028 52.114 52.037 0.081 0.000 0.824 263 A CB -0.060 18.962 19.000 0.037 0.000 0.879 263 A HN 0.280 nan 8.150 nan 0.000 0.480 264 L N -0.302 120.979 121.223 0.096 0.000 2.021 264 L HA -0.283 4.059 4.340 0.003 0.000 0.215 264 L C 2.799 179.736 176.870 0.112 0.000 1.074 264 L CA 2.139 57.029 54.840 0.082 0.000 0.760 264 L CB -0.363 41.752 42.059 0.094 0.000 0.889 264 L HN 0.498 nan 8.230 nan 0.000 0.433 265 R N -0.243 120.345 120.500 0.147 0.000 2.097 265 R HA -0.291 4.051 4.340 0.003 0.000 0.236 265 R C 2.297 178.651 176.300 0.090 0.000 1.135 265 R CA 2.296 58.461 56.100 0.109 0.000 0.934 265 R CB -1.351 29.002 30.300 0.088 0.000 0.846 265 R HN 0.366 nan 8.270 nan 0.000 0.431 266 Y N 0.462 120.764 120.300 0.003 0.000 2.081 266 Y HA -0.205 4.346 4.550 0.003 0.000 0.280 266 Y C 2.063 177.959 175.900 -0.007 0.000 1.163 266 Y CA 2.402 60.496 58.100 -0.010 0.000 1.135 266 Y CB -0.276 38.179 38.460 -0.008 0.000 0.970 266 Y HN 0.128 nan 8.280 nan 0.000 0.498 267 I N 0.173 120.794 120.570 0.085 0.000 2.264 267 I HA -0.330 3.842 4.170 0.003 0.000 0.248 267 I C 2.552 178.628 176.117 -0.069 0.000 1.111 267 I CA 1.713 63.006 61.300 -0.011 0.000 1.382 267 I CB -0.439 37.589 38.000 0.046 0.000 1.060 267 I HN 0.252 nan 8.210 nan 0.000 0.418 268 R N 1.630 122.106 120.500 -0.039 0.000 2.082 268 R HA -0.208 4.133 4.340 0.003 0.000 0.234 268 R C 1.806 178.058 176.300 -0.080 0.000 1.136 268 R CA 2.229 58.307 56.100 -0.037 0.000 0.935 268 R CB -0.836 29.462 30.300 -0.002 0.000 0.842 268 R HN 0.210 nan 8.270 nan 0.000 0.430 269 D N 0.329 120.655 120.400 -0.122 0.000 2.133 269 D HA -0.170 4.471 4.640 0.003 0.000 0.195 269 D C 1.841 178.010 176.300 -0.218 0.000 0.997 269 D CA 1.370 55.271 54.000 -0.165 0.000 0.840 269 D CB -0.335 40.354 40.800 -0.185 0.000 0.947 269 D HN 0.204 nan 8.370 nan 0.000 0.452 270 L N 1.114 122.162 121.223 -0.291 0.000 1.994 270 L HA -0.056 4.285 4.340 0.003 0.000 0.208 270 L C 2.220 179.041 176.870 -0.081 0.000 1.071 270 L CA 1.902 56.572 54.840 -0.283 0.000 0.745 270 L CB -1.168 40.685 42.059 -0.343 0.000 0.892 270 L HN -0.012 nan 8.230 nan 0.000 0.431 271 A N -0.761 122.071 122.820 0.021 0.000 1.972 271 A HA -0.089 4.232 4.320 0.003 0.000 0.219 271 A C 2.397 180.048 177.584 0.112 0.000 1.169 271 A CA 1.746 53.867 52.037 0.139 0.000 0.635 271 A CB -1.011 18.026 19.000 0.063 0.000 0.810 271 A HN 0.570 nan 8.150 nan 0.000 0.446 272 A N -0.332 122.485 122.820 -0.004 0.000 1.930 272 A HA -0.134 4.188 4.320 0.003 0.000 0.217 272 A C 1.789 179.320 177.584 -0.087 0.000 1.175 272 A CA 1.907 53.913 52.037 -0.052 0.000 0.627 272 A CB -0.558 18.374 19.000 -0.114 0.000 0.815 272 A HN 0.470 nan 8.150 nan 0.000 0.443 273 D N -1.713 118.586 120.400 -0.168 0.000 2.117 273 D HA -0.021 4.620 4.640 0.003 0.000 0.198 273 D C 0.217 176.392 176.300 -0.209 0.000 0.982 273 D CA 0.851 54.698 54.000 -0.255 0.000 0.828 273 D CB -0.110 40.439 40.800 -0.418 0.000 0.967 273 D HN 0.503 nan 8.370 nan 0.000 0.464 274 Y N -0.732 119.559 120.300 -0.015 0.000 2.281 274 Y HA 0.405 4.957 4.550 0.003 0.000 0.337 274 Y C 1.702 177.639 175.900 0.063 0.000 1.304 274 Y CA -0.459 57.650 58.100 0.015 0.000 1.465 274 Y CB 0.608 39.073 38.460 0.009 0.000 1.350 274 Y HN -0.173 nan 8.280 nan 0.000 0.575 275 G N 1.847 110.803 108.800 0.261 0.000 3.452 275 G HA2 0.272 4.233 3.960 0.003 0.000 0.258 275 G HA3 0.272 4.233 3.960 0.003 0.000 0.258 275 G C -0.355 174.709 174.900 0.273 0.000 1.305 275 G CA -0.213 45.064 45.100 0.295 0.000 1.514 275 G HN 0.332 nan 8.290 nan 0.000 0.593 276 L N 0.994 122.378 121.223 0.268 0.000 2.289 276 L HA 0.622 4.964 4.340 0.003 0.000 0.285 276 L C 0.514 177.463 176.870 0.133 0.000 1.049 276 L CA -0.850 54.044 54.840 0.090 0.000 0.804 276 L CB 1.789 43.884 42.059 0.060 0.000 1.195 276 L HN 0.142 nan 8.230 nan 0.000 0.428 277 A N 4.831 127.481 122.820 -0.284 0.000 2.309 277 A HA 0.686 5.007 4.320 0.003 0.000 0.298 277 A C -0.341 177.165 177.584 -0.131 0.000 1.165 277 A CA -0.477 51.422 52.037 -0.229 0.000 0.821 277 A CB 0.377 18.940 19.000 -0.730 0.000 1.102 277 A HN 0.679 nan 8.150 nan 0.000 0.500 278 I N 2.225 122.780 120.570 -0.026 0.000 2.315 278 I HA 0.174 4.346 4.170 0.003 0.000 0.291 278 I C -0.103 175.948 176.117 -0.110 0.000 1.006 278 I CA -0.346 60.915 61.300 -0.065 0.000 1.265 278 I CB 1.005 38.968 38.000 -0.062 0.000 1.387 278 I HN 0.789 nan 8.210 nan 0.000 0.475 279 H N 5.233 124.127 119.070 -0.294 0.000 2.594 279 H HA 0.511 5.068 4.556 0.003 0.000 0.304 279 H C 0.047 175.198 175.328 -0.294 0.000 1.068 279 H CA -0.412 55.381 56.048 -0.426 0.000 1.308 279 H CB 1.187 30.409 29.762 -0.898 0.000 1.409 279 H HN 0.679 nan 8.280 nan 0.000 0.460 280 G N 4.659 113.052 108.800 -0.678 0.000 2.347 280 G HA2 0.151 4.113 3.960 0.003 0.000 0.314 280 G HA3 0.151 4.113 3.960 0.003 0.000 0.314 280 G C -0.978 173.551 174.900 -0.619 0.000 1.126 280 G CA -0.445 44.329 45.100 -0.543 0.000 0.929 280 G HN 0.719 nan 8.290 nan 0.000 0.441 281 H N 2.184 120.939 119.070 -0.525 0.000 2.467 281 H HA 0.252 4.809 4.556 0.003 0.000 0.331 281 H C 0.976 176.103 175.328 -0.336 0.000 1.120 281 H CA -0.542 55.194 56.048 -0.520 0.000 1.270 281 H CB 1.476 31.027 29.762 -0.351 0.000 1.466 281 H HN 0.643 nan 8.280 nan 0.000 0.504 282 R N 2.790 123.280 120.500 -0.016 0.000 2.515 282 R HA 0.436 4.778 4.340 0.003 0.000 0.294 282 R C 0.140 176.582 176.300 0.238 0.000 1.021 282 R CA -0.450 55.697 56.100 0.078 0.000 1.081 282 R CB 0.038 30.336 30.300 -0.002 0.000 1.263 282 R HN 0.365 nan 8.270 nan 0.000 0.557 283 A N 1.684 124.645 122.820 0.235 0.000 2.598 283 A HA 0.068 4.389 4.320 0.003 0.000 0.239 283 A C 0.926 178.506 177.584 -0.007 0.000 1.032 283 A CA 1.043 53.124 52.037 0.074 0.000 0.760 283 A CB -0.219 18.729 19.000 -0.088 0.000 0.946 283 A HN 0.878 nan 8.150 nan 0.000 0.512 284 M N 0.583 120.125 119.600 -0.097 0.000 3.023 284 M HA -0.295 4.187 4.480 0.003 0.000 0.214 284 M C 0.980 177.039 176.300 -0.401 0.000 0.575 284 M CA 1.986 57.172 55.300 -0.190 0.000 0.820 284 M CB -2.038 30.506 32.600 -0.093 0.000 2.925 284 M HN 1.277 nan 8.290 nan 0.000 0.297 285 H N -0.055 118.822 119.070 -0.323 0.000 2.352 285 H HA 0.221 4.779 4.556 0.003 0.000 0.299 285 H C 1.742 176.650 175.328 -0.699 0.000 1.097 285 H CA 2.230 57.912 56.048 -0.609 0.000 1.311 285 H CB -0.892 28.747 29.762 -0.205 0.000 1.377 285 H HN 0.530 nan 8.280 nan 0.000 0.504 286 A N 1.119 123.069 122.820 -1.450 0.000 2.204 286 A HA -0.104 4.218 4.320 0.003 0.000 0.220 286 A C 2.520 179.840 177.584 -0.440 0.000 1.165 286 A CA 1.480 53.025 52.037 -0.820 0.000 0.671 286 A CB -1.279 17.334 19.000 -0.644 0.000 0.792 286 A HN 0.790 nan 8.150 nan 0.000 0.473 287 A N -1.242 121.267 122.820 -0.519 0.000 2.167 287 A HA 0.293 4.614 4.320 0.003 0.000 0.214 287 A C 1.222 178.734 177.584 -0.121 0.000 1.151 287 A CA 1.240 53.113 52.037 -0.272 0.000 0.735 287 A CB -0.429 18.454 19.000 -0.195 0.000 0.802 287 A HN 1.169 nan 8.150 nan 0.000 0.467 288 F N -3.712 116.236 119.950 -0.004 0.000 3.031 288 F HA 0.211 4.740 4.527 0.003 0.000 0.365 288 F C 1.033 176.856 175.800 0.039 0.000 1.128 288 F CA 0.384 58.381 58.000 -0.005 0.000 1.068 288 F CB -0.609 38.347 39.000 -0.073 0.000 1.280 288 F HN 0.005 nan 8.300 nan 0.000 0.529 289 T N -3.230 111.405 114.554 0.135 0.000 3.054 289 T HA 0.293 4.644 4.350 0.003 0.000 0.255 289 T C 1.575 176.369 174.700 0.157 0.000 1.035 289 T CA 0.020 62.257 62.100 0.229 0.000 0.941 289 T CB 0.128 69.179 68.868 0.305 0.000 1.026 289 T HN 0.294 nan 8.240 nan 0.000 0.533 290 R N 1.445 122.005 120.500 0.100 0.000 2.057 290 R HA 0.136 4.477 4.340 0.003 0.000 0.224 290 R C 0.693 177.068 176.300 0.125 0.000 1.136 290 R CA 0.358 56.513 56.100 0.092 0.000 0.968 290 R CB -0.243 30.083 30.300 0.044 0.000 0.863 290 R HN 0.313 nan 8.270 nan 0.000 0.433 291 N N 1.421 120.213 118.700 0.152 0.000 2.452 291 N HA 0.002 4.743 4.740 0.003 0.000 0.266 291 N C -2.150 173.493 175.510 0.223 0.000 1.175 291 N CA -1.214 51.959 53.050 0.205 0.000 0.945 291 N CB 1.574 40.201 38.487 0.234 0.000 1.063 291 N HN -0.042 nan 8.380 nan 0.000 0.472 292 P HA 0.037 nan 4.420 nan 0.000 0.233 292 P C -0.119 177.164 177.300 -0.028 0.000 1.167 292 P CA 1.000 64.147 63.100 0.077 0.000 0.770 292 P CB 0.044 31.756 31.700 0.020 0.000 0.837 293 Y N -3.065 117.339 120.300 0.173 0.000 2.507 293 Y HA 0.310 4.861 4.550 0.003 0.000 0.254 293 Y C 0.604 176.690 175.900 0.309 0.000 1.171 293 Y CA -0.358 57.867 58.100 0.208 0.000 1.238 293 Y CB 0.230 38.793 38.460 0.170 0.000 1.148 293 Y HN -0.030 nan 8.280 nan 0.000 0.525 294 H N -0.927 118.303 119.070 0.267 0.000 3.094 294 H HA 0.575 5.133 4.556 0.003 0.000 0.346 294 H C 0.098 175.550 175.328 0.207 0.000 1.238 294 H CA -0.231 55.965 56.048 0.247 0.000 1.209 294 H CB 1.416 31.299 29.762 0.202 0.000 1.911 294 H HN 0.238 nan 8.280 nan 0.000 0.540 295 G N 1.726 110.397 108.800 -0.215 0.000 2.416 295 G HA2 -0.078 3.883 3.960 0.003 0.000 0.203 295 G HA3 -0.078 3.883 3.960 0.003 0.000 0.203 295 G C -1.343 173.608 174.900 0.086 0.000 1.227 295 G CA -0.321 44.671 45.100 -0.181 0.000 1.041 295 G HN 0.655 nan 8.290 nan 0.000 0.546 296 I N 0.963 121.623 120.570 0.149 0.000 2.447 296 I HA 0.470 4.641 4.170 0.003 0.000 0.287 296 I C 0.661 176.920 176.117 0.237 0.000 1.023 296 I CA -0.630 60.794 61.300 0.205 0.000 1.083 296 I CB 1.942 40.002 38.000 0.100 0.000 1.245 296 I HN 0.636 nan 8.210 nan 0.000 0.434 297 S N 5.387 121.190 115.700 0.172 0.000 2.549 297 S HA 0.058 4.530 4.470 0.003 0.000 0.286 297 S C 1.294 175.990 174.600 0.160 0.000 1.314 297 S CA -0.343 57.943 58.200 0.144 0.000 1.062 297 S CB 0.531 63.795 63.200 0.106 0.000 0.865 297 S HN 0.606 nan 8.310 nan 0.000 0.498 298 M N 4.600 124.281 119.600 0.135 0.000 2.530 298 M HA -0.071 4.411 4.480 0.003 0.000 0.261 298 M C 1.180 177.497 176.300 0.030 0.000 1.067 298 M CA 1.137 56.482 55.300 0.075 0.000 1.071 298 M CB -1.246 31.352 32.600 -0.004 0.000 1.405 298 M HN 0.900 nan 8.290 nan 0.000 0.478 299 F N -0.059 119.825 119.950 -0.109 0.000 2.060 299 F HA -0.195 4.334 4.527 0.003 0.000 0.295 299 F C 2.142 177.843 175.800 -0.165 0.000 1.120 299 F CA 1.552 59.428 58.000 -0.206 0.000 1.205 299 F CB -0.490 38.317 39.000 -0.322 0.000 0.986 299 F HN -0.110 nan 8.300 nan 0.000 0.470 300 V N 0.933 120.880 119.914 0.054 0.000 2.324 300 V HA -0.344 3.777 4.120 0.003 0.000 0.250 300 V C 2.475 178.485 176.094 -0.140 0.000 1.060 300 V CA 2.032 64.304 62.300 -0.046 0.000 1.042 300 V CB -0.844 30.979 31.823 0.001 0.000 0.650 300 V HN 0.382 nan 8.190 nan 0.000 0.450 301 L N -0.148 121.015 121.223 -0.101 0.000 2.056 301 L HA -0.126 4.216 4.340 0.003 0.000 0.207 301 L C 2.773 179.433 176.870 -0.350 0.000 1.078 301 L CA 1.544 56.243 54.840 -0.234 0.000 0.749 301 L CB -0.878 41.161 42.059 -0.034 0.000 0.901 301 L HN 0.369 nan 8.230 nan 0.000 0.433 302 A N 0.201 122.887 122.820 -0.224 0.000 1.902 302 A HA -0.259 4.062 4.320 0.003 0.000 0.217 302 A C 2.417 179.839 177.584 -0.271 0.000 1.181 302 A CA 2.019 53.930 52.037 -0.210 0.000 0.623 302 A CB -0.446 18.372 19.000 -0.303 0.000 0.818 302 A HN 0.339 nan 8.150 nan 0.000 0.443 303 K N -0.960 119.216 120.400 -0.373 0.000 2.057 303 K HA -0.085 4.237 4.320 0.003 0.000 0.206 303 K C 1.716 178.232 176.600 -0.139 0.000 1.050 303 K CA 1.130 57.261 56.287 -0.259 0.000 0.935 303 K CB -0.209 32.139 32.500 -0.253 0.000 0.715 303 K HN 0.289 nan 8.250 nan 0.000 0.439 304 L N 0.599 121.721 121.223 -0.169 0.000 2.093 304 L HA -0.130 4.211 4.340 0.003 0.000 0.208 304 L C 2.068 178.945 176.870 0.012 0.000 1.085 304 L CA 1.565 56.333 54.840 -0.119 0.000 0.755 304 L CB -0.919 41.046 42.059 -0.158 0.000 0.904 304 L HN 0.207 nan 8.230 nan 0.000 0.435 305 Y N -0.618 119.738 120.300 0.093 0.000 2.373 305 Y HA -0.158 4.394 4.550 0.003 0.000 0.293 305 Y C 2.707 178.592 175.900 -0.025 0.000 1.129 305 Y CA 0.782 58.913 58.100 0.052 0.000 1.226 305 Y CB -0.655 37.800 38.460 -0.009 0.000 1.000 305 Y HN 0.152 nan 8.280 nan 0.000 0.549 306 R N 0.768 121.289 120.500 0.036 0.000 2.066 306 R HA -0.101 4.240 4.340 0.003 0.000 0.232 306 R C 1.897 178.164 176.300 -0.056 0.000 1.131 306 R CA 1.549 57.598 56.100 -0.084 0.000 0.955 306 R CB -0.901 29.247 30.300 -0.253 0.000 0.851 306 R HN 0.336 nan 8.270 nan 0.000 0.432 307 L N 0.034 121.207 121.223 -0.083 0.000 2.005 307 L HA -0.153 4.188 4.340 0.003 0.000 0.207 307 L C 2.343 179.302 176.870 0.149 0.000 1.072 307 L CA 0.957 55.711 54.840 -0.142 0.000 0.744 307 L CB -0.654 40.957 42.059 -0.746 0.000 0.895 307 L HN 0.179 nan 8.230 nan 0.000 0.433 308 I N 0.233 120.952 120.570 0.249 0.000 2.087 308 I HA -0.262 3.910 4.170 0.003 0.000 0.240 308 I C 1.655 177.885 176.117 0.188 0.000 1.054 308 I CA 2.243 63.743 61.300 0.334 0.000 1.311 308 I CB -1.452 36.755 38.000 0.346 0.000 1.024 308 I HN 0.546 nan 8.210 nan 0.000 0.402 309 G N -0.645 108.230 108.800 0.125 0.000 3.268 309 G HA2 -0.046 3.916 3.960 0.003 0.000 0.220 309 G HA3 -0.046 3.916 3.960 0.003 0.000 0.220 309 G C -0.160 174.756 174.900 0.026 0.000 0.942 309 G CA -0.569 44.564 45.100 0.056 0.000 0.918 309 G HN 0.114 nan 8.290 nan 0.000 0.658 310 I N 2.496 123.080 120.570 0.024 0.000 2.587 310 I HA 0.191 4.362 4.170 0.003 0.000 0.284 310 I C 1.290 177.392 176.117 -0.025 0.000 1.134 310 I CA -0.187 61.090 61.300 -0.037 0.000 1.410 310 I CB 0.767 38.696 38.000 -0.118 0.000 1.392 310 I HN 0.086 nan 8.210 nan 0.000 0.545 311 D N 4.755 125.151 120.400 -0.006 0.000 2.117 311 D HA -0.116 4.526 4.640 0.003 0.000 0.198 311 D C 0.290 176.621 176.300 0.051 0.000 0.982 311 D CA 1.407 55.430 54.000 0.039 0.000 0.828 311 D CB 0.285 41.144 40.800 0.098 0.000 0.967 311 D HN 0.599 nan 8.370 nan 0.000 0.464 312 Q N -0.076 119.720 119.800 -0.006 0.000 2.347 312 Q HA 0.588 4.930 4.340 0.003 0.000 0.271 312 Q C -1.303 174.599 176.000 -0.164 0.000 1.064 312 Q CA -0.647 55.166 55.803 0.016 0.000 0.800 312 Q CB 3.099 31.903 28.738 0.110 0.000 1.304 312 Q HN -0.036 nan 8.270 nan 0.000 0.438 313 L N 0.932 122.105 121.223 -0.082 0.000 2.422 313 L HA 0.398 4.739 4.340 0.003 0.000 0.264 313 L C -1.344 175.524 176.870 -0.004 0.000 0.984 313 L CA -0.278 54.487 54.840 -0.125 0.000 0.819 313 L CB 1.941 43.957 42.059 -0.072 0.000 1.330 313 L HN 0.680 nan 8.230 nan 0.000 0.410 314 H N 3.977 122.900 119.070 -0.246 0.000 2.878 314 H HA 0.250 4.808 4.556 0.003 0.000 0.290 314 H C 0.674 175.910 175.328 -0.154 0.000 1.065 314 H CA 0.205 56.139 56.048 -0.189 0.000 1.477 314 H CB 1.377 30.971 29.762 -0.280 0.000 1.484 314 H HN 0.647 nan 8.280 nan 0.000 0.504 315 V N 1.018 120.905 119.914 -0.045 0.000 3.643 315 V HA 0.395 4.516 4.120 0.003 0.000 0.280 315 V C 1.169 177.227 176.094 -0.060 0.000 1.351 315 V CA 0.406 62.667 62.300 -0.064 0.000 1.073 315 V CB 0.137 31.926 31.823 -0.057 0.000 0.863 315 V HN 1.041 nan 8.190 nan 0.000 0.436 316 G N -0.093 108.673 108.800 -0.057 0.000 2.416 316 G HA2 0.167 4.129 3.960 0.003 0.000 0.203 316 G HA3 0.167 4.129 3.960 0.003 0.000 0.203 316 G C -0.316 174.560 174.900 -0.038 0.000 1.227 316 G CA 0.103 45.185 45.100 -0.030 0.000 1.041 316 G HN 0.961 nan 8.290 nan 0.000 0.546 317 T N -1.125 113.420 114.554 -0.015 0.000 2.889 317 T HA 0.896 5.248 4.350 0.003 0.000 0.315 317 T C -0.369 174.332 174.700 0.001 0.000 1.291 317 T CA 1.044 63.131 62.100 -0.021 0.000 1.028 317 T CB 1.137 69.984 68.868 -0.035 0.000 1.235 317 T HN 2.487 nan 8.240 nan 0.000 0.491 325 G N 0.438 109.333 108.800 0.158 0.000 3.181 325 G HA2 -0.412 3.549 3.960 0.003 0.000 0.322 325 G HA3 -0.412 3.549 3.960 0.003 0.000 0.322 325 G C 1.094 176.140 174.900 0.244 0.000 1.246 325 G CA 1.679 46.889 45.100 0.183 0.000 0.989 325 G HN 0.847 nan 8.290 nan 0.000 0.607 326 G N 0.464 109.367 108.800 0.172 0.000 2.433 326 G HA2 -0.120 3.841 3.960 0.003 0.000 0.216 326 G HA3 -0.120 3.841 3.960 0.003 0.000 0.216 326 G C 1.630 176.625 174.900 0.159 0.000 1.186 326 G CA 2.069 47.259 45.100 0.150 0.000 0.779 326 G HN 0.893 nan 8.290 nan 0.000 0.543 327 K N -0.764 119.731 120.400 0.157 0.000 2.113 327 K HA -0.198 4.124 4.320 0.003 0.000 0.208 327 K C 2.155 178.876 176.600 0.202 0.000 1.047 327 K CA 1.505 57.880 56.287 0.147 0.000 0.928 327 K CB -0.330 32.250 32.500 0.134 0.000 0.716 327 K HN 0.436 nan 8.250 nan 0.000 0.446 328 W N 2.549 123.892 121.300 0.071 0.000 2.379 328 W HA -0.171 4.490 4.660 0.003 0.000 0.307 328 W C 1.458 178.046 176.519 0.115 0.000 1.200 328 W CA 1.781 59.181 57.345 0.092 0.000 1.297 328 W CB -0.299 29.217 29.460 0.094 0.000 1.140 328 W HN 0.162 nan 8.180 nan 0.000 0.507 329 D N 0.036 120.514 120.400 0.130 0.000 2.116 329 D HA -0.223 4.418 4.640 0.003 0.000 0.193 329 D C 2.368 178.619 176.300 -0.082 0.000 0.998 329 D CA 2.284 56.252 54.000 -0.054 0.000 0.836 329 D CB -0.972 39.874 40.800 0.077 0.000 0.951 329 D HN 0.124 nan 8.370 nan 0.000 0.449 330 V N 1.639 121.547 119.914 -0.010 0.000 2.287 330 V HA -0.243 3.879 4.120 0.003 0.000 0.248 330 V C 2.496 178.563 176.094 -0.045 0.000 1.053 330 V CA 1.055 63.345 62.300 -0.018 0.000 1.027 330 V CB -0.311 31.517 31.823 0.008 0.000 0.646 330 V HN 0.186 nan 8.190 nan 0.000 0.447 331 I N -0.167 120.371 120.570 -0.053 0.000 2.151 331 I HA -0.247 3.924 4.170 0.003 0.000 0.243 331 I C 2.634 178.695 176.117 -0.093 0.000 1.080 331 I CA 1.696 62.963 61.300 -0.055 0.000 1.339 331 I CB -1.370 36.611 38.000 -0.031 0.000 1.039 331 I HN 0.394 nan 8.210 nan 0.000 0.409 332 Q N 0.557 120.213 119.800 -0.240 0.000 2.124 332 Q HA -0.155 4.186 4.340 0.003 0.000 0.202 332 Q C 1.985 178.005 176.000 0.033 0.000 0.977 332 Q CA 1.147 56.868 55.803 -0.135 0.000 0.850 332 Q CB -0.660 27.823 28.738 -0.425 0.000 0.901 332 Q HN 0.548 nan 8.270 nan 0.000 0.429 333 N N 1.002 119.686 118.700 -0.026 0.000 2.039 333 N HA -0.109 4.633 4.740 0.003 0.000 0.193 333 N C 1.645 177.072 175.510 -0.138 0.000 1.044 333 N CA 1.646 54.636 53.050 -0.100 0.000 0.847 333 N CB -0.516 37.925 38.487 -0.078 0.000 1.030 333 N HN 0.275 nan 8.380 nan 0.000 0.422 334 A N 1.033 123.809 122.820 -0.073 0.000 2.131 334 A HA -0.130 4.192 4.320 0.003 0.000 0.220 334 A C 2.256 179.811 177.584 -0.048 0.000 1.158 334 A CA 1.147 53.153 52.037 -0.052 0.000 0.665 334 A CB -0.337 18.655 19.000 -0.014 0.000 0.795 334 A HN 0.231 nan 8.150 nan 0.000 0.460 335 R N -0.289 120.196 120.500 -0.026 0.000 2.051 335 R HA -0.014 4.327 4.340 0.003 0.000 0.225 335 R C 2.118 178.382 176.300 -0.059 0.000 1.155 335 R CA 1.604 57.733 56.100 0.049 0.000 0.945 335 R CB -0.518 29.934 30.300 0.253 0.000 0.840 335 R HN 0.706 nan 8.270 nan 0.000 0.432 336 I N -0.343 120.053 120.570 -0.289 0.000 2.423 336 I HA -0.222 3.950 4.170 0.003 0.000 0.254 336 I C 1.871 177.714 176.117 -0.457 0.000 1.151 336 I CA 1.082 62.134 61.300 -0.413 0.000 1.421 336 I CB -0.420 37.123 38.000 -0.763 0.000 1.079 336 I HN 0.062 nan 8.210 nan 0.000 0.431 337 L N 0.587 121.598 121.223 -0.354 0.000 2.191 337 L HA -0.092 4.250 4.340 0.003 0.000 0.212 337 L C 2.550 179.251 176.870 -0.282 0.000 1.103 337 L CA 1.833 56.491 54.840 -0.304 0.000 0.769 337 L CB -0.490 41.460 42.059 -0.182 0.000 0.908 337 L HN 0.208 nan 8.230 nan 0.000 0.438 338 R N -1.824 118.550 120.500 -0.211 0.000 2.342 338 R HA 0.183 4.524 4.340 0.003 0.000 0.204 338 R C 0.143 176.375 176.300 -0.114 0.000 0.882 338 R CA -0.187 55.819 56.100 -0.156 0.000 1.041 338 R CB 0.382 30.634 30.300 -0.080 0.000 1.188 338 R HN 0.289 nan 8.270 nan 0.000 0.598 339 E N 1.168 121.343 120.200 -0.042 0.000 2.338 339 E HA 0.013 4.364 4.350 0.003 0.000 0.272 339 E C 0.536 177.222 176.600 0.144 0.000 1.029 339 E CA -0.022 56.432 56.400 0.090 0.000 0.872 339 E CB 1.367 31.212 29.700 0.241 0.000 1.015 339 E HN 0.138 nan 8.360 nan 0.000 0.417 340 S N 2.152 117.946 115.700 0.157 0.000 2.406 340 S HA -0.148 4.324 4.470 0.003 0.000 0.228 340 S C 0.645 175.425 174.600 0.300 0.000 1.020 340 S CA 0.737 59.051 58.200 0.189 0.000 0.965 340 S CB -0.063 63.197 63.200 0.100 0.000 0.798 340 S HN 0.664 nan 8.310 nan 0.000 0.488 341 H N -0.605 118.571 119.070 0.176 0.000 3.078 341 H HA 0.357 4.914 4.556 0.003 0.000 0.319 341 H C -1.900 173.552 175.328 0.207 0.000 0.995 341 H CA -1.140 54.990 56.048 0.137 0.000 1.417 341 H CB 0.806 30.587 29.762 0.032 0.000 1.598 341 H HN 0.280 nan 8.280 nan 0.000 0.515 342 Y N 5.844 126.378 120.300 0.390 0.000 2.504 342 Y HA 0.233 4.785 4.550 0.003 0.000 0.351 342 Y C -0.798 175.209 175.900 0.178 0.000 0.988 342 Y CA -0.521 57.740 58.100 0.268 0.000 1.239 342 Y CB 0.252 38.915 38.460 0.337 0.000 1.128 342 Y HN 0.452 nan 8.280 nan 0.000 0.525 343 K N 8.711 128.860 120.400 -0.418 0.000 2.339 343 K HA 0.370 4.691 4.320 0.003 0.000 0.264 343 K C -2.468 173.784 176.600 -0.580 0.000 0.986 343 K CA -1.810 54.231 56.287 -0.410 0.000 0.866 343 K CB 1.239 33.552 32.500 -0.312 0.000 1.103 343 K HN 0.459 nan 8.250 nan 0.000 0.441 344 P HA -0.015 nan 4.420 nan 0.000 0.278 344 P C -0.836 176.406 177.300 -0.097 0.000 1.270 344 P CA -0.174 62.762 63.100 -0.273 0.000 0.800 344 P CB 0.484 32.159 31.700 -0.042 0.000 1.142 345 D N -0.931 119.499 120.400 0.050 0.000 2.332 345 D HA 0.061 4.703 4.640 0.003 0.000 0.252 345 D C 1.344 177.646 176.300 0.004 0.000 1.050 345 D CA -0.496 53.539 54.000 0.058 0.000 0.970 345 D CB 0.389 41.288 40.800 0.166 0.000 1.141 345 D HN 0.355 nan 8.370 nan 0.000 0.485 346 E N 1.323 121.510 120.200 -0.020 0.000 2.118 346 E HA -0.260 4.092 4.350 0.003 0.000 0.195 346 E C 0.817 177.377 176.600 -0.068 0.000 0.992 346 E CA 1.383 57.758 56.400 -0.042 0.000 0.804 346 E CB -0.663 29.013 29.700 -0.039 0.000 0.741 346 E HN 0.594 nan 8.360 nan 0.000 0.458 347 N N 1.089 119.735 118.700 -0.090 0.000 2.412 347 N HA -0.082 4.660 4.740 0.003 0.000 0.184 347 N C 0.165 175.543 175.510 -0.220 0.000 1.101 347 N CA 0.460 53.419 53.050 -0.153 0.000 0.881 347 N CB -0.032 38.347 38.487 -0.180 0.000 0.969 347 N HN -0.072 nan 8.380 nan 0.000 0.459 348 D N 0.815 121.137 120.400 -0.130 0.000 2.398 348 D HA -0.041 4.601 4.640 0.003 0.000 0.250 348 D C 0.238 176.398 176.300 -0.234 0.000 1.287 348 D CA -0.055 53.890 54.000 -0.092 0.000 0.992 348 D CB 0.702 41.624 40.800 0.204 0.000 1.071 348 D HN 0.033 nan 8.370 nan 0.000 0.514 349 V N 4.627 124.234 119.914 -0.512 0.000 3.563 349 V HA 0.060 4.182 4.120 0.003 0.000 0.299 349 V C 0.528 176.279 176.094 -0.573 0.000 1.290 349 V CA 0.409 62.354 62.300 -0.591 0.000 1.201 349 V CB -0.818 30.484 31.823 -0.869 0.000 1.045 349 V HN 0.356 nan 8.190 nan 0.000 0.425 350 F N -0.664 119.104 119.950 -0.304 0.000 2.399 350 F HA 0.404 4.932 4.527 0.003 0.000 0.282 350 F C 1.228 176.852 175.800 -0.294 0.000 1.027 350 F CA -0.119 57.651 58.000 -0.384 0.000 1.333 350 F CB -0.331 38.289 39.000 -0.634 0.000 1.132 350 F HN 0.223 nan 8.300 nan 0.000 0.590 351 H N 1.352 120.480 119.070 0.098 0.000 2.463 351 H HA 0.480 5.038 4.556 0.003 0.000 0.332 351 H C 0.246 175.657 175.328 0.139 0.000 1.127 351 H CA -0.721 55.340 56.048 0.022 0.000 1.238 351 H CB 1.003 30.688 29.762 -0.130 0.000 1.478 351 H HN -0.032 nan 8.280 nan 0.000 0.499 352 L N 0.463 121.864 121.223 0.297 0.000 2.569 352 L HA 0.285 4.626 4.340 0.003 0.000 0.247 352 L C 0.955 178.002 176.870 0.296 0.000 1.135 352 L CA -0.775 54.182 54.840 0.195 0.000 0.812 352 L CB 0.541 42.654 42.059 0.091 0.000 1.431 352 L HN 0.555 nan 8.230 nan 0.000 0.499 353 E N 0.877 121.173 120.200 0.159 0.000 2.259 353 E HA 0.178 4.529 4.350 0.003 0.000 0.281 353 E C -1.149 175.639 176.600 0.314 0.000 1.027 353 E CA -0.511 56.018 56.400 0.214 0.000 0.838 353 E CB 1.319 31.085 29.700 0.110 0.000 1.066 353 E HN 0.331 nan 8.360 nan 0.000 0.401 354 Q N 3.612 123.634 119.800 0.370 0.000 2.304 354 Q HA 0.288 4.630 4.340 0.003 0.000 0.270 354 Q C -1.698 174.241 176.000 -0.102 0.000 1.035 354 Q CA -0.621 55.257 55.803 0.125 0.000 0.781 354 Q CB 1.518 30.190 28.738 -0.112 0.000 1.261 354 Q HN 0.390 nan 8.270 nan 0.000 0.444 355 K N 3.435 123.668 120.400 -0.278 0.000 2.185 355 K HA 0.336 4.658 4.320 0.003 0.000 0.269 355 K C -0.467 175.809 176.600 -0.541 0.000 0.987 355 K CA -0.265 55.710 56.287 -0.521 0.000 0.865 355 K CB 0.564 32.613 32.500 -0.752 0.000 1.090 355 K HN 0.642 nan 8.250 nan 0.000 0.450 356 F N 2.810 122.645 119.950 -0.192 0.000 2.721 356 F HA 0.107 4.635 4.527 0.003 0.000 0.301 356 F C 0.192 176.028 175.800 0.060 0.000 1.096 356 F CA -0.128 57.852 58.000 -0.032 0.000 1.308 356 F CB -0.179 38.805 39.000 -0.027 0.000 1.086 356 F HN 0.706 nan 8.300 nan 0.000 0.587 357 Y N -0.739 119.603 120.300 0.070 0.000 2.850 357 Y HA -0.496 4.056 4.550 0.003 0.000 0.469 357 Y C 2.234 178.163 175.900 0.049 0.000 1.165 357 Y CA 1.203 59.320 58.100 0.030 0.000 2.638 357 Y CB -1.798 36.660 38.460 -0.004 0.000 1.196 357 Y HN -0.014 nan 8.280 nan 0.000 0.625 358 S N 0.610 116.461 115.700 0.251 0.000 2.603 358 S HA 0.186 4.658 4.470 0.003 0.000 0.220 358 S C 0.351 175.004 174.600 0.087 0.000 0.967 358 S CA 0.274 58.547 58.200 0.122 0.000 0.920 358 S CB -0.191 63.058 63.200 0.082 0.000 0.773 358 S HN 0.305 nan 8.310 nan 0.000 0.529 359 I N 3.566 124.213 120.570 0.128 0.000 2.581 359 I HA 0.136 4.307 4.170 0.003 0.000 0.285 359 I C 0.832 176.946 176.117 -0.004 0.000 1.129 359 I CA -0.033 61.310 61.300 0.073 0.000 1.397 359 I CB -0.398 37.684 38.000 0.137 0.000 1.399 359 I HN 0.233 nan 8.210 nan 0.000 0.537 360 K N 4.236 124.612 120.400 -0.040 0.000 2.234 360 K HA 0.357 4.679 4.320 0.003 0.000 0.251 360 K C 0.257 176.772 176.600 -0.142 0.000 1.011 360 K CA -0.355 55.887 56.287 -0.075 0.000 0.889 360 K CB 0.517 32.976 32.500 -0.068 0.000 1.011 360 K HN 0.733 nan 8.250 nan 0.000 0.505 361 A N 0.515 123.243 122.820 -0.155 0.000 2.304 361 A HA 0.595 4.917 4.320 0.003 0.000 0.301 361 A C -0.696 176.770 177.584 -0.196 0.000 1.132 361 A CA -0.493 51.420 52.037 -0.206 0.000 0.819 361 A CB 0.975 19.863 19.000 -0.187 0.000 1.094 361 A HN 0.672 nan 8.150 nan 0.000 0.492 362 A N 1.102 123.810 122.820 -0.186 0.000 2.350 362 A HA 0.685 5.007 4.320 0.003 0.000 0.324 362 A C -0.558 176.995 177.584 -0.052 0.000 1.118 362 A CA -0.559 51.408 52.037 -0.115 0.000 0.783 362 A CB 0.433 19.386 19.000 -0.078 0.000 1.236 362 A HN 0.744 nan 8.150 nan 0.000 0.457 363 F N 2.382 122.318 119.950 -0.023 0.000 2.571 363 F HA 0.226 4.755 4.527 0.003 0.000 0.384 363 F C -1.905 173.885 175.800 -0.017 0.000 1.058 363 F CA -0.994 57.004 58.000 -0.003 0.000 1.200 363 F CB 1.042 40.065 39.000 0.038 0.000 1.077 363 F HN 0.318 nan 8.300 nan 0.000 0.558 364 P HA 0.206 nan 4.420 nan 0.000 0.288 364 P C -1.170 176.164 177.300 0.056 0.000 1.267 364 P CA -0.432 62.720 63.100 0.086 0.000 0.815 364 P CB 1.319 33.045 31.700 0.042 0.000 0.989 365 T N 0.720 115.268 114.554 -0.011 0.000 2.797 365 T HA 0.454 4.806 4.350 0.003 0.000 0.279 365 T C -0.224 174.340 174.700 -0.226 0.000 0.991 365 T CA -0.506 61.532 62.100 -0.103 0.000 0.979 365 T CB 0.783 69.600 68.868 -0.085 0.000 0.943 365 T HN 0.107 nan 8.240 nan 0.000 0.444 366 S N 1.992 117.581 115.700 -0.185 0.000 2.530 366 S HA 0.673 5.144 4.470 0.003 0.000 0.322 366 S C -0.652 173.844 174.600 -0.174 0.000 1.085 366 S CA -0.572 57.529 58.200 -0.164 0.000 1.096 366 S CB 0.703 63.847 63.200 -0.093 0.000 0.988 366 S HN 0.732 nan 8.310 nan 0.000 0.466 367 S N 2.990 118.582 115.700 -0.179 0.000 2.541 367 S HA 0.800 5.272 4.470 0.003 0.000 0.280 367 S C -0.212 174.358 174.600 -0.050 0.000 1.112 367 S CA 0.130 58.265 58.200 -0.108 0.000 0.925 367 S CB 1.353 64.494 63.200 -0.099 0.000 1.067 367 S HN 1.325 nan 8.310 nan 0.000 0.479 368 G N 1.657 110.434 108.800 -0.037 0.000 3.643 368 G HA2 0.426 4.388 3.960 0.003 0.000 0.232 368 G HA3 0.426 4.388 3.960 0.003 0.000 0.232 368 G C 0.570 175.444 174.900 -0.044 0.000 3.381 368 G CA 0.131 45.219 45.100 -0.019 0.000 0.783 368 G HN 1.841 nan 8.290 nan 0.000 0.357 369 G N -0.549 108.216 108.800 -0.058 0.000 2.462 369 G HA2 0.099 4.061 3.960 0.003 0.000 0.283 369 G HA3 0.099 4.061 3.960 0.003 0.000 0.283 369 G C -0.267 174.520 174.900 -0.188 0.000 1.043 369 G CA 0.411 45.455 45.100 -0.092 0.000 1.300 369 G HN 1.266 nan 8.290 nan 0.000 0.518 370 L N 1.672 122.741 121.223 -0.257 0.000 2.362 370 L HA 0.876 5.217 4.340 0.003 0.000 0.271 370 L C 0.273 176.843 176.870 -0.499 0.000 1.002 370 L CA -1.245 53.347 54.840 -0.413 0.000 0.818 370 L CB 2.081 43.962 42.059 -0.297 0.000 1.298 370 L HN 0.652 nan 8.230 nan 0.000 0.420 371 H N -0.388 118.427 119.070 -0.425 0.000 2.864 371 H HA 0.588 5.146 4.556 0.003 0.000 0.354 371 H C -2.472 172.640 175.328 -0.360 0.000 1.208 371 H CA -2.536 53.137 56.048 -0.625 0.000 1.191 371 H CB 0.069 29.245 29.762 -0.976 0.000 1.889 371 H HN 0.232 nan 8.280 nan 0.000 0.574 372 P HA -0.063 nan 4.420 nan 0.000 0.220 372 P C 0.822 178.144 177.300 0.036 0.000 1.144 372 P CA 2.285 65.365 63.100 -0.033 0.000 0.800 372 P CB 0.056 31.791 31.700 0.059 0.000 0.772 373 G N -1.735 107.210 108.800 0.242 0.000 3.936 373 G HA2 0.071 4.033 3.960 0.003 0.000 0.296 373 G HA3 0.071 4.033 3.960 0.003 0.000 0.296 373 G C 0.576 175.572 174.900 0.161 0.000 1.121 373 G CA -0.093 45.122 45.100 0.191 0.000 0.899 373 G HN 0.260 nan 8.290 nan 0.000 0.542 374 N N -0.669 117.941 118.700 -0.150 0.000 2.218 374 N HA 0.127 4.869 4.740 0.003 0.000 0.224 374 N C 1.814 177.183 175.510 -0.235 0.000 1.248 374 N CA -0.245 52.581 53.050 -0.372 0.000 0.875 374 N CB 0.428 38.262 38.487 -1.089 0.000 1.165 374 N HN 0.187 nan 8.380 nan 0.000 0.485 375 I N 1.499 121.945 120.570 -0.207 0.000 2.099 375 I HA -0.336 3.835 4.170 0.003 0.000 0.239 375 I C 2.483 178.539 176.117 -0.102 0.000 1.066 375 I CA 1.285 62.490 61.300 -0.158 0.000 1.324 375 I CB -0.707 37.196 38.000 -0.162 0.000 1.037 375 I HN 0.247 nan 8.210 nan 0.000 0.401 376 Q N 1.636 121.388 119.800 -0.080 0.000 2.032 376 Q HA -0.261 4.080 4.340 0.003 0.000 0.217 376 Q C -0.534 175.446 176.000 -0.033 0.000 1.058 376 Q CA 3.281 59.056 55.803 -0.048 0.000 0.911 376 Q CB -1.663 27.059 28.738 -0.026 0.000 1.045 376 Q HN 0.269 nan 8.270 nan 0.000 0.429 377 P HA -0.189 nan 4.420 nan 0.000 0.216 377 P C 1.331 178.623 177.300 -0.013 0.000 1.157 377 P CA 1.960 65.053 63.100 -0.010 0.000 0.880 377 P CB -0.103 31.593 31.700 -0.007 0.000 0.791 378 V N 0.906 120.800 119.914 -0.034 0.000 2.229 378 V HA -0.202 3.920 4.120 0.003 0.000 0.243 378 V C 2.259 178.339 176.094 -0.023 0.000 1.042 378 V CA 1.928 64.209 62.300 -0.032 0.000 1.000 378 V CB -1.583 30.206 31.823 -0.058 0.000 0.637 378 V HN 0.101 nan 8.190 nan 0.000 0.446 379 I N -1.239 119.310 120.570 -0.035 0.000 3.387 379 I HA -0.062 4.110 4.170 0.003 0.000 0.298 379 I C 1.780 177.892 176.117 -0.009 0.000 1.311 379 I CA 1.491 62.777 61.300 -0.023 0.000 1.318 379 I CB -0.489 37.487 38.000 -0.040 0.000 1.023 379 I HN 0.430 nan 8.210 nan 0.000 0.540 380 E N 1.149 121.347 120.200 -0.004 0.000 2.391 380 E HA 0.213 4.565 4.350 0.003 0.000 0.206 380 E C 2.195 178.807 176.600 0.020 0.000 0.851 380 E CA 0.631 57.036 56.400 0.007 0.000 1.059 380 E CB 0.265 29.968 29.700 0.005 0.000 1.065 380 E HN 0.505 nan 8.360 nan 0.000 0.512 381 A N 0.629 123.462 122.820 0.021 0.000 2.081 381 A HA 0.074 4.396 4.320 0.003 0.000 0.214 381 A C 1.578 179.184 177.584 0.036 0.000 1.158 381 A CA 0.508 52.566 52.037 0.035 0.000 0.724 381 A CB 0.203 19.226 19.000 0.038 0.000 0.826 381 A HN 0.220 nan 8.150 nan 0.000 0.463 382 L N -1.841 119.397 121.223 0.025 0.000 2.701 382 L HA 0.338 4.679 4.340 0.003 0.000 0.238 382 L C 1.163 178.054 176.870 0.036 0.000 1.106 382 L CA 1.353 56.210 54.840 0.028 0.000 0.898 382 L CB -1.281 40.789 42.059 0.017 0.000 1.188 382 L HN 0.562 nan 8.230 nan 0.000 0.508 383 G N 0.258 109.078 108.800 0.032 0.000 2.655 383 G HA2 -0.238 3.723 3.960 0.003 0.000 0.680 383 G HA3 -0.238 3.723 3.960 0.003 0.000 0.680 383 G C 0.659 175.586 174.900 0.045 0.000 1.302 383 G CA 0.014 45.137 45.100 0.039 0.000 0.872 383 G HN 0.105 nan 8.290 nan 0.000 0.540 384 T N -2.583 112.003 114.554 0.053 0.000 3.067 384 T HA 0.172 4.524 4.350 0.003 0.000 0.261 384 T C 0.687 175.464 174.700 0.128 0.000 1.110 384 T CA 1.421 63.559 62.100 0.064 0.000 1.113 384 T CB 0.172 69.073 68.868 0.054 0.000 0.917 384 T HN 0.443 nan 8.240 nan 0.000 0.499 385 D N 2.709 123.206 120.400 0.161 0.000 2.558 385 D HA 0.410 5.051 4.640 0.003 0.000 0.221 385 D C 0.076 176.609 176.300 0.389 0.000 1.143 385 D CA -0.038 54.150 54.000 0.314 0.000 1.010 385 D CB -0.155 40.733 40.800 0.147 0.000 1.068 385 D HN 0.693 nan 8.370 nan 0.000 0.511 386 I N -2.833 117.914 120.570 0.294 0.000 2.984 386 I HA 0.474 4.645 4.170 0.003 0.000 0.303 386 I C -1.107 174.920 176.117 -0.151 0.000 1.381 386 I CA -1.192 60.186 61.300 0.129 0.000 0.988 386 I CB 1.955 39.992 38.000 0.062 0.000 1.307 386 I HN -0.329 nan 8.210 nan 0.000 0.460 387 V N 4.100 123.907 119.914 -0.179 0.000 2.427 387 V HA 0.506 4.628 4.120 0.003 0.000 0.286 387 V C -0.055 176.014 176.094 -0.042 0.000 1.034 387 V CA -0.453 61.746 62.300 -0.169 0.000 0.893 387 V CB 1.432 33.185 31.823 -0.117 0.000 0.982 387 V HN 0.479 nan 8.190 nan 0.000 0.452 388 L N 4.304 125.532 121.223 0.008 0.000 2.322 388 L HA 0.617 4.959 4.340 0.003 0.000 0.281 388 L C -0.385 176.516 176.870 0.052 0.000 1.014 388 L CA -0.582 54.262 54.840 0.006 0.000 0.815 388 L CB 1.903 43.953 42.059 -0.014 0.000 1.247 388 L HN 0.678 nan 8.230 nan 0.000 0.421 389 Q N 4.865 124.671 119.800 0.010 0.000 2.357 389 Q HA 0.512 4.854 4.340 0.003 0.000 0.266 389 Q C -1.861 174.134 176.000 -0.008 0.000 1.021 389 Q CA -0.147 55.667 55.803 0.017 0.000 0.784 389 Q CB 1.294 30.063 28.738 0.051 0.000 1.243 389 Q HN 0.573 nan 8.270 nan 0.000 0.465 390 L N 4.586 125.821 121.223 0.021 0.000 2.318 390 L HA 0.605 4.947 4.340 0.003 0.000 0.277 390 L C 0.750 177.613 176.870 -0.013 0.000 1.008 390 L CA -0.650 54.185 54.840 -0.008 0.000 0.846 390 L CB 1.403 43.475 42.059 0.021 0.000 1.220 390 L HN 0.921 nan 8.230 nan 0.000 0.423 391 G N 2.015 110.797 108.800 -0.030 0.000 2.558 391 G HA2 0.047 4.008 3.960 0.003 0.000 0.218 391 G HA3 0.047 4.008 3.960 0.003 0.000 0.218 391 G C 1.268 176.162 174.900 -0.009 0.000 1.567 391 G CA 0.762 45.857 45.100 -0.007 0.000 0.950 391 G HN 0.678 nan 8.290 nan 0.000 0.517 392 G N 0.790 109.583 108.800 -0.011 0.000 2.513 392 G HA2 -0.030 3.931 3.960 0.003 0.000 0.219 392 G HA3 -0.030 3.931 3.960 0.003 0.000 0.219 392 G C 1.788 176.667 174.900 -0.036 0.000 1.160 392 G CA 1.523 46.638 45.100 0.026 0.000 0.767 392 G HN 0.821 nan 8.290 nan 0.000 0.571 393 G N -0.648 107.975 108.800 -0.295 0.000 2.564 393 G HA2 0.003 3.965 3.960 0.003 0.000 0.217 393 G HA3 0.003 3.965 3.960 0.003 0.000 0.217 393 G C 1.482 176.254 174.900 -0.213 0.000 1.120 393 G CA 1.847 46.572 45.100 -0.625 0.000 0.752 393 G HN 0.478 nan 8.290 nan 0.000 0.558 394 T N -0.198 114.367 114.554 0.019 0.000 3.098 394 T HA 0.159 4.510 4.350 0.003 0.000 0.246 394 T C 1.772 176.574 174.700 0.169 0.000 0.983 394 T CA -0.245 61.928 62.100 0.122 0.000 1.094 394 T CB 0.089 69.014 68.868 0.094 0.000 1.035 394 T HN 0.014 nan 8.240 nan 0.000 0.456 395 L N 1.642 122.941 121.223 0.128 0.000 2.554 395 L HA 0.338 4.680 4.340 0.003 0.000 0.226 395 L C 2.335 179.315 176.870 0.182 0.000 1.137 395 L CA 0.995 55.902 54.840 0.111 0.000 0.863 395 L CB -1.605 40.486 42.059 0.053 0.000 0.985 395 L HN 0.385 nan 8.230 nan 0.000 0.451 396 G N -2.382 106.611 108.800 0.321 0.000 2.838 396 G HA2 -0.114 3.847 3.960 0.003 0.000 0.210 396 G HA3 -0.114 3.847 3.960 0.003 0.000 0.210 396 G C 0.744 175.839 174.900 0.325 0.000 1.153 396 G CA -0.222 45.109 45.100 0.386 0.000 0.778 396 G HN 0.351 nan 8.290 nan 0.000 0.539 397 H N 1.834 121.111 119.070 0.346 0.000 3.094 397 H HA 0.019 4.577 4.556 0.003 0.000 0.320 397 H C -1.281 173.999 175.328 -0.080 0.000 1.000 397 H CA -0.916 55.178 56.048 0.077 0.000 1.413 397 H CB 1.475 31.353 29.762 0.194 0.000 1.405 397 H HN -0.035 nan 8.280 nan 0.000 0.586 398 P HA -0.171 nan 4.420 nan 0.000 0.215 398 P C 0.498 177.857 177.300 0.097 0.000 1.163 398 P CA 1.723 64.732 63.100 -0.151 0.000 0.894 398 P CB 0.250 31.747 31.700 -0.338 0.000 0.791 399 D N -1.060 119.561 120.400 0.368 0.000 2.323 399 D HA 0.285 4.927 4.640 0.003 0.000 0.239 399 D C 0.979 177.326 176.300 0.080 0.000 1.129 399 D CA 0.745 54.855 54.000 0.184 0.000 0.865 399 D CB -0.601 40.299 40.800 0.167 0.000 0.913 399 D HN 0.165 nan 8.370 nan 0.000 0.517 400 G N 0.937 109.806 108.800 0.116 0.000 2.692 400 G HA2 -0.174 3.788 3.960 0.003 0.000 0.686 400 G HA3 -0.174 3.788 3.960 0.003 0.000 0.686 400 G C -2.091 172.805 174.900 -0.006 0.000 1.243 400 G CA -1.022 44.100 45.100 0.036 0.000 0.782 400 G HN -0.107 nan 8.290 nan 0.000 0.625 401 P HA -0.143 nan 4.420 nan 0.000 0.217 401 P C 2.336 179.591 177.300 -0.076 0.000 1.151 401 P CA 2.987 66.077 63.100 -0.017 0.000 0.849 401 P CB 0.043 31.724 31.700 -0.031 0.000 0.787 402 A N -0.145 122.618 122.820 -0.093 0.000 1.903 402 A HA -0.245 4.077 4.320 0.003 0.000 0.219 402 A C 2.320 179.815 177.584 -0.148 0.000 1.191 402 A CA 2.628 54.594 52.037 -0.119 0.000 0.638 402 A CB -1.626 17.312 19.000 -0.103 0.000 0.823 402 A HN 0.245 nan 8.150 nan 0.000 0.451 403 A N -0.934 121.757 122.820 -0.215 0.000 1.874 403 A HA 0.251 4.572 4.320 0.003 0.000 0.214 403 A C 2.497 179.838 177.584 -0.404 0.000 1.189 403 A CA 1.645 53.470 52.037 -0.353 0.000 0.615 403 A CB -1.540 17.126 19.000 -0.556 0.000 0.830 403 A HN 0.976 nan 8.150 nan 0.000 0.443 404 G N -0.181 108.380 108.800 -0.399 0.000 2.581 404 G HA2 -0.139 3.823 3.960 0.003 0.000 0.223 404 G HA3 -0.139 3.823 3.960 0.003 0.000 0.223 404 G C 1.576 176.477 174.900 0.001 0.000 1.094 404 G CA 1.770 46.836 45.100 -0.057 0.000 0.736 404 G HN 0.819 nan 8.290 nan 0.000 0.588 405 A N 0.712 123.515 122.820 -0.029 0.000 1.840 405 A HA 0.072 4.394 4.320 0.003 0.000 0.214 405 A C 2.460 180.051 177.584 0.010 0.000 1.198 405 A CA 1.621 53.692 52.037 0.056 0.000 0.608 405 A CB -0.380 18.613 19.000 -0.013 0.000 0.839 405 A HN 0.345 nan 8.150 nan 0.000 0.443 406 R N -0.372 120.100 120.500 -0.047 0.000 2.092 406 R HA -0.007 4.334 4.340 0.003 0.000 0.231 406 R C 2.424 178.697 176.300 -0.044 0.000 1.119 406 R CA 1.079 57.154 56.100 -0.041 0.000 0.970 406 R CB -0.500 29.780 30.300 -0.033 0.000 0.864 406 R HN 0.512 nan 8.270 nan 0.000 0.440 407 A N 0.634 123.434 122.820 -0.033 0.000 1.927 407 A HA -0.179 4.142 4.320 0.003 0.000 0.220 407 A C 2.283 179.840 177.584 -0.044 0.000 1.185 407 A CA 1.874 53.940 52.037 0.048 0.000 0.639 407 A CB -0.590 18.550 19.000 0.233 0.000 0.820 407 A HN 0.150 nan 8.150 nan 0.000 0.451 408 V N -0.781 119.035 119.914 -0.164 0.000 2.488 408 V HA -0.117 4.005 4.120 0.003 0.000 0.246 408 V C 2.572 178.426 176.094 -0.400 0.000 1.046 408 V CA 1.985 64.056 62.300 -0.381 0.000 1.053 408 V CB -0.733 30.611 31.823 -0.798 0.000 0.679 408 V HN 0.537 nan 8.190 nan 0.000 0.458 409 R N 0.522 120.848 120.500 -0.290 0.000 2.075 409 R HA -0.119 4.223 4.340 0.003 0.000 0.232 409 R C 2.278 178.470 176.300 -0.180 0.000 1.126 409 R CA 1.642 57.628 56.100 -0.189 0.000 0.963 409 R CB -0.504 29.753 30.300 -0.070 0.000 0.858 409 R HN 0.605 nan 8.270 nan 0.000 0.435 410 Q N -0.857 118.849 119.800 -0.158 0.000 2.050 410 Q HA -0.077 4.265 4.340 0.003 0.000 0.202 410 Q C 2.098 177.855 176.000 -0.406 0.000 0.980 410 Q CA 1.725 57.398 55.803 -0.218 0.000 0.840 410 Q CB -0.274 28.422 28.738 -0.069 0.000 0.898 410 Q HN 0.426 nan 8.270 nan 0.000 0.424 411 A N 1.066 123.712 122.820 -0.291 0.000 1.948 411 A HA -0.212 4.110 4.320 0.003 0.000 0.220 411 A C 1.989 179.392 177.584 -0.303 0.000 1.177 411 A CA 1.294 53.157 52.037 -0.289 0.000 0.636 411 A CB -0.564 18.321 19.000 -0.191 0.000 0.815 411 A HN 0.259 nan 8.150 nan 0.000 0.449 412 I N 0.307 120.712 120.570 -0.275 0.000 2.133 412 I HA -0.199 3.972 4.170 0.003 0.000 0.238 412 I C 1.942 177.924 176.117 -0.225 0.000 1.074 412 I CA 1.885 63.054 61.300 -0.220 0.000 1.342 412 I CB -1.806 36.082 38.000 -0.186 0.000 1.053 412 I HN 0.278 nan 8.210 nan 0.000 0.404 413 D N 1.170 121.421 120.400 -0.249 0.000 2.172 413 D HA -0.174 4.468 4.640 0.003 0.000 0.196 413 D C 2.200 178.309 176.300 -0.317 0.000 0.999 413 D CA 1.734 55.596 54.000 -0.230 0.000 0.856 413 D CB -0.092 40.589 40.800 -0.198 0.000 0.934 413 D HN 0.377 nan 8.370 nan 0.000 0.453 414 A N 0.649 123.114 122.820 -0.593 0.000 1.825 414 A HA -0.083 4.238 4.320 0.003 0.000 0.214 414 A C 2.201 179.631 177.584 -0.257 0.000 1.206 414 A CA 0.861 52.529 52.037 -0.616 0.000 0.609 414 A CB -1.011 17.395 19.000 -0.991 0.000 0.851 414 A HN 0.279 nan 8.150 nan 0.000 0.445 415 I N -1.353 119.080 120.570 -0.227 0.000 2.908 415 I HA -0.211 3.960 4.170 0.003 0.000 0.271 415 I C 1.931 177.994 176.117 -0.090 0.000 1.275 415 I CA 1.330 62.555 61.300 -0.126 0.000 1.446 415 I CB 0.056 37.985 38.000 -0.118 0.000 1.092 415 I HN 0.386 nan 8.210 nan 0.000 0.482 416 M N -0.252 119.285 119.600 -0.104 0.000 2.495 416 M HA 0.074 4.556 4.480 0.003 0.000 0.237 416 M C 0.873 177.150 176.300 -0.038 0.000 1.131 416 M CA 1.088 56.350 55.300 -0.063 0.000 1.032 416 M CB 0.182 32.742 32.600 -0.067 0.000 1.513 416 M HN 0.147 nan 8.290 nan 0.000 0.488 417 Q N -1.392 118.384 119.800 -0.041 0.000 2.144 417 Q HA 0.389 4.731 4.340 0.003 0.000 0.305 417 Q C 1.007 177.012 176.000 0.008 0.000 0.876 417 Q CA 0.220 56.020 55.803 -0.005 0.000 1.130 417 Q CB 0.572 29.320 28.738 0.017 0.000 1.267 417 Q HN 0.563 nan 8.270 nan 0.000 0.433 418 G N 1.608 110.406 108.800 -0.003 0.000 3.246 418 G HA2 -0.387 3.575 3.960 0.003 0.000 0.227 418 G HA3 -0.387 3.575 3.960 0.003 0.000 0.227 418 G C 0.551 175.460 174.900 0.016 0.000 1.291 418 G CA 0.410 45.515 45.100 0.007 0.000 0.900 418 G HN 0.465 nan 8.290 nan 0.000 0.538 419 I N 3.432 124.024 120.570 0.038 0.000 3.299 419 I HA -0.044 4.127 4.170 0.003 0.000 0.351 419 I C -1.445 174.704 176.117 0.055 0.000 1.161 419 I CA -0.237 61.107 61.300 0.074 0.000 1.513 419 I CB 0.015 38.113 38.000 0.163 0.000 1.264 419 I HN 0.162 nan 8.210 nan 0.000 0.505 420 P HA 0.166 nan 4.420 nan 0.000 0.276 420 P C 0.612 177.957 177.300 0.075 0.000 1.252 420 P CA -0.513 62.619 63.100 0.053 0.000 0.802 420 P CB 0.643 32.374 31.700 0.052 0.000 1.035 421 L N 0.107 121.361 121.223 0.053 0.000 2.275 421 L HA -0.131 4.210 4.340 0.003 0.000 0.215 421 L C 1.271 178.206 176.870 0.108 0.000 1.119 421 L CA 1.263 56.143 54.840 0.067 0.000 0.790 421 L CB -0.581 41.502 42.059 0.039 0.000 0.919 421 L HN 0.356 nan 8.230 nan 0.000 0.443 422 D N 0.100 120.552 120.400 0.087 0.000 2.077 422 D HA -0.225 4.417 4.640 0.003 0.000 0.197 422 D C 1.923 178.278 176.300 0.092 0.000 0.983 422 D CA 1.142 55.189 54.000 0.078 0.000 0.841 422 D CB -0.272 40.562 40.800 0.057 0.000 0.992 422 D HN 0.147 nan 8.370 nan 0.000 0.450 423 E N -0.251 120.002 120.200 0.089 0.000 2.147 423 E HA -0.243 4.109 4.350 0.003 0.000 0.199 423 E C 1.934 178.591 176.600 0.096 0.000 1.005 423 E CA 1.109 57.555 56.400 0.078 0.000 0.810 423 E CB -0.445 29.300 29.700 0.075 0.000 0.736 423 E HN 0.389 nan 8.360 nan 0.000 0.460 424 Y N -0.383 119.942 120.300 0.042 0.000 2.457 424 Y HA 0.141 4.692 4.550 0.003 0.000 0.292 424 Y C 2.072 178.040 175.900 0.113 0.000 1.125 424 Y CA 0.851 58.986 58.100 0.057 0.000 1.254 424 Y CB -0.369 38.064 38.460 -0.045 0.000 1.012 424 Y HN 0.178 nan 8.280 nan 0.000 0.555 425 A N 0.400 123.348 122.820 0.213 0.000 1.892 425 A HA -0.222 4.100 4.320 0.003 0.000 0.218 425 A C 1.482 179.138 177.584 0.119 0.000 1.188 425 A CA 1.320 53.452 52.037 0.159 0.000 0.631 425 A CB -0.618 18.441 19.000 0.099 0.000 0.822 425 A HN 0.355 nan 8.150 nan 0.000 0.447 426 K N -0.798 119.642 120.400 0.066 0.000 2.168 426 K HA 0.270 4.591 4.320 0.003 0.000 0.258 426 K C 1.020 177.598 176.600 -0.037 0.000 1.010 426 K CA 0.767 57.059 56.287 0.009 0.000 0.929 426 K CB 0.330 32.824 32.500 -0.011 0.000 0.998 426 K HN 0.722 nan 8.250 nan 0.000 0.479 427 T N -1.338 113.139 114.554 -0.129 0.000 6.974 427 T HA -0.239 4.113 4.350 0.003 0.000 0.287 427 T C -0.397 173.910 174.700 -0.654 0.000 2.146 427 T CA 1.685 63.582 62.100 -0.338 0.000 3.451 427 T CB -2.140 66.497 68.868 -0.385 0.000 1.630 427 T HN 0.897 nan 8.240 nan 0.000 1.173 428 H N 0.881 119.918 119.070 -0.054 0.000 2.651 428 H HA 0.548 5.106 4.556 0.003 0.000 0.252 428 H C 0.996 176.355 175.328 0.052 0.000 1.365 428 H CA -0.685 55.374 56.048 0.018 0.000 1.539 428 H CB 1.178 31.003 29.762 0.104 0.000 1.621 428 H HN 0.245 nan 8.280 nan 0.000 0.526 429 K N 0.918 121.366 120.400 0.080 0.000 2.032 429 K HA -0.275 4.047 4.320 0.003 0.000 0.218 429 K C 1.249 177.924 176.600 0.126 0.000 1.054 429 K CA 2.005 58.336 56.287 0.073 0.000 0.941 429 K CB 0.099 32.620 32.500 0.036 0.000 0.720 429 K HN 0.395 nan 8.250 nan 0.000 0.449 430 E N 1.050 121.336 120.200 0.143 0.000 2.065 430 E HA -0.213 4.139 4.350 0.003 0.000 0.201 430 E C 1.958 178.727 176.600 0.282 0.000 1.016 430 E CA 1.331 57.850 56.400 0.200 0.000 0.818 430 E CB -0.324 29.428 29.700 0.086 0.000 0.749 430 E HN 0.238 nan 8.360 nan 0.000 0.453 431 L N -0.225 121.124 121.223 0.209 0.000 2.017 431 L HA -0.199 4.143 4.340 0.003 0.000 0.208 431 L C 2.194 179.149 176.870 0.141 0.000 1.073 431 L CA 1.376 56.322 54.840 0.178 0.000 0.745 431 L CB -0.391 41.769 42.059 0.168 0.000 0.894 431 L HN 0.243 nan 8.230 nan 0.000 0.432 432 A N 0.003 122.902 122.820 0.131 0.000 1.841 432 A HA -0.259 4.063 4.320 0.003 0.000 0.216 432 A C 2.271 179.865 177.584 0.016 0.000 1.199 432 A CA 1.701 53.783 52.037 0.074 0.000 0.621 432 A CB -0.731 18.309 19.000 0.065 0.000 0.835 432 A HN 0.371 nan 8.150 nan 0.000 0.445 433 R N -0.601 119.907 120.500 0.014 0.000 2.134 433 R HA -0.244 4.098 4.340 0.003 0.000 0.248 433 R C 2.465 178.592 176.300 -0.288 0.000 1.143 433 R CA 1.661 57.703 56.100 -0.097 0.000 0.957 433 R CB -1.056 29.241 30.300 -0.006 0.000 0.867 433 R HN 0.582 nan 8.270 nan 0.000 0.441 434 A N 1.211 123.906 122.820 -0.208 0.000 1.851 434 A HA -0.157 4.165 4.320 0.003 0.000 0.216 434 A C 2.424 179.930 177.584 -0.128 0.000 1.195 434 A CA 1.314 53.214 52.037 -0.228 0.000 0.622 434 A CB -0.772 18.390 19.000 0.270 0.000 0.831 434 A HN 0.235 nan 8.150 nan 0.000 0.444 435 L N -0.668 120.554 121.223 -0.003 0.000 2.043 435 L HA -0.269 4.073 4.340 0.003 0.000 0.212 435 L C 2.653 179.480 176.870 -0.071 0.000 1.075 435 L CA 1.828 56.665 54.840 -0.006 0.000 0.752 435 L CB -0.623 41.455 42.059 0.032 0.000 0.891 435 L HN 0.519 nan 8.230 nan 0.000 0.432 436 E N -0.268 119.865 120.200 -0.112 0.000 2.130 436 E HA -0.246 4.106 4.350 0.003 0.000 0.196 436 E C 1.672 178.164 176.600 -0.181 0.000 0.998 436 E CA 1.243 57.570 56.400 -0.122 0.000 0.806 436 E CB 0.098 29.716 29.700 -0.136 0.000 0.738 436 E HN 0.371 nan 8.360 nan 0.000 0.459 437 K N 0.285 120.466 120.400 -0.364 0.000 3.073 437 K HA -0.029 4.293 4.320 0.003 0.000 0.232 437 K C 1.208 177.618 176.600 -0.317 0.000 1.135 437 K CA 0.322 56.296 56.287 -0.521 0.000 1.428 437 K CB -0.137 31.694 32.500 -1.115 0.000 1.921 437 K HN 0.177 nan 8.250 nan 0.000 0.546 438 W N 0.743 121.886 121.300 -0.260 0.000 3.392 438 W HA 0.186 4.847 4.660 0.002 0.000 0.277 438 W C 0.200 175.863 176.519 -1.427 0.000 1.323 438 W CA -0.637 56.370 57.345 -0.563 0.000 1.616 438 W CB -0.668 28.568 29.460 -0.374 0.000 1.056 438 W HN 0.309 nan 8.180 nan 0.000 0.745 439 G N 2.482 111.092 108.800 -0.316 0.000 3.343 439 G HA2 0.049 4.010 3.960 0.003 0.000 0.279 439 G HA3 0.049 4.010 3.960 0.003 0.000 0.279 439 G C -0.206 174.567 174.900 -0.211 0.000 0.919 439 G CA -0.468 44.471 45.100 -0.268 0.000 1.812 439 G HN 0.362 nan 8.290 nan 0.000 0.584 440 H N 1.862 120.899 119.070 -0.055 0.000 2.882 440 H HA 0.187 4.745 4.556 0.003 0.000 0.258 440 H C 0.681 176.066 175.328 0.094 0.000 1.579 440 H CA -0.890 55.178 56.048 0.032 0.000 1.340 440 H CB -0.180 29.607 29.762 0.041 0.000 1.645 440 H HN 0.044 nan 8.280 nan 0.000 0.541 441 V N 3.260 123.256 119.914 0.137 0.000 3.103 441 V HA -0.121 4.001 4.120 0.003 0.000 0.292 441 V C 0.874 177.036 176.094 0.114 0.000 1.269 441 V CA 0.875 63.239 62.300 0.107 0.000 1.370 441 V CB 0.138 32.006 31.823 0.076 0.000 0.945 441 V HN 0.827 nan 8.190 nan 0.000 0.521 442 T N 4.468 119.073 114.554 0.085 0.000 3.237 442 T HA 0.423 4.775 4.350 0.003 0.000 0.319 442 T C -2.376 172.352 174.700 0.047 0.000 1.037 442 T CA -0.678 61.466 62.100 0.073 0.000 1.048 442 T CB 1.765 70.683 68.868 0.083 0.000 1.081 442 T HN 0.559 nan 8.240 nan 0.000 0.455 443 P HA 0.000 nan 4.420 nan 0.000 0.216 443 P CA 0.000 63.119 63.100 0.031 0.000 0.800 443 P CB 0.000 31.718 31.700 0.031 0.000 0.726