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 3dbm_1_A DATA FIRST_RESID 6 DATA SEQUENCE KPLREIPGSY GIPFFQPIKD RLEYFYGTGG RDEYFRSRMQ KYQSTVFRAN DATA SEQUENCE MPPGPFVSSN PKVIVLLDAK SFPILFDVSK VEKKDLFTGT YMPSTKLTGG DATA SEQUENCE YRVLSYLDPS EPRHAQLKNL LFFMLKNSSN RVIPQFETTY TELFEGLEAE DATA SEQUENCE LAKNGKAAFN DVGEQAAFRF LGRAYFNSNP EETKLGTSAP TLISSWVLFN DATA SEQUENCE LAPTLDLGLP WFLQEPLLHT FRLPAFLIKS TYNKLYDYFQ SVATPVMEQA DATA SEQUENCE EKLGVPKDEA VHNILFAVCF NTFGGVKILF PNTLKWIGLA GENLHTQLAE DATA SEQUENCE EIRGAIKSYG DGNVTLEAIE QMPLTKSVVY ESLRIEPPVP PQYGKAKSNF DATA SEQUENCE TIESHDATFE VKKGEMLFGY QPFATKDPKV FDRPEEYVPD RFVGDGEALL DATA SEQUENCE KYVWWSNGPE TESPTVENKQ CAGKDFVVLI TRLFVIELFR RYDSFEIELG DATA SEQUENCE ESPLGAAVTL TFLKRAS 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 6 K HA 0.000 nan 4.320 nan 0.000 0.191 6 K C 0.000 176.554 176.600 -0.077 0.000 0.988 6 K CA 0.000 56.264 56.287 -0.038 0.000 0.838 6 K CB 0.000 32.484 32.500 -0.027 0.000 1.064 7 P HA -0.055 nan 4.420 nan 0.000 0.267 7 P C -0.287 176.919 177.300 -0.156 0.000 1.200 7 P CA -0.586 62.460 63.100 -0.091 0.000 0.772 7 P CB 0.756 32.418 31.700 -0.062 0.000 0.855 8 L N 3.409 124.557 121.223 -0.125 0.000 2.418 8 L HA 0.222 4.563 4.340 0.003 0.000 0.274 8 L C 0.623 177.407 176.870 -0.142 0.000 1.135 8 L CA 0.450 55.201 54.840 -0.149 0.000 0.870 8 L CB -0.496 41.516 42.059 -0.079 0.000 1.154 8 L HN 0.452 nan 8.230 nan 0.000 0.462 9 R N 3.828 124.195 120.500 -0.222 0.000 2.837 9 R HA 0.416 4.758 4.340 0.003 0.000 0.271 9 R C -0.957 175.365 176.300 0.037 0.000 0.993 9 R CA -0.818 55.218 56.100 -0.107 0.000 0.931 9 R CB 1.300 31.519 30.300 -0.135 0.000 1.206 9 R HN 0.738 nan 8.270 nan 0.000 0.474 10 E N 3.177 123.441 120.200 0.108 0.000 2.259 10 E HA 0.143 4.494 4.350 0.003 0.000 0.281 10 E C -0.427 176.314 176.600 0.235 0.000 1.027 10 E CA -0.513 55.974 56.400 0.144 0.000 0.838 10 E CB 0.737 30.480 29.700 0.072 0.000 1.066 10 E HN 0.446 nan 8.360 nan 0.000 0.401 11 I N 7.872 128.579 120.570 0.228 0.000 2.752 11 I HA 0.007 4.179 4.170 0.003 0.000 0.286 11 I C -1.570 174.500 176.117 -0.079 0.000 1.180 11 I CA -1.156 60.161 61.300 0.030 0.000 1.404 11 I CB -0.056 37.863 38.000 -0.135 0.000 1.389 11 I HN 0.446 nan 8.210 nan 0.000 0.549 12 P HA 0.305 nan 4.420 nan 0.000 0.274 12 P C 0.017 176.957 177.300 -0.599 0.000 1.256 12 P CA 0.163 63.092 63.100 -0.284 0.000 0.795 12 P CB 1.090 32.656 31.700 -0.225 0.000 1.038 13 G N -1.076 107.236 108.800 -0.814 0.000 2.650 13 G HA2 0.165 4.126 3.960 0.003 0.000 0.686 13 G HA3 0.165 4.126 3.960 0.003 0.000 0.686 13 G C -0.936 173.722 174.900 -0.404 0.000 1.205 13 G CA -0.171 44.484 45.100 -0.742 0.000 0.781 13 G HN 0.689 nan 8.290 nan 0.000 0.648 14 S N -0.530 114.998 115.700 -0.287 0.000 2.599 14 S HA 0.798 5.270 4.470 0.003 0.000 0.294 14 S C 0.285 174.722 174.600 -0.272 0.000 1.094 14 S CA -0.489 57.548 58.200 -0.272 0.000 0.931 14 S CB 1.334 64.487 63.200 -0.078 0.000 1.093 14 S HN 0.874 nan 8.310 nan 0.000 0.488 15 Y N 2.036 122.339 120.300 0.005 0.000 2.458 15 Y HA 0.371 4.922 4.550 0.003 0.000 0.254 15 Y C 1.753 177.654 175.900 0.003 0.000 1.120 15 Y CA 0.155 58.256 58.100 0.003 0.000 1.282 15 Y CB -0.385 38.078 38.460 0.004 0.000 1.109 15 Y HN 1.071 nan 8.280 nan 0.000 0.526 16 G N 1.429 110.307 108.800 0.130 0.000 2.682 16 G HA2 -0.325 3.637 3.960 0.003 0.000 0.256 16 G HA3 -0.325 3.637 3.960 0.003 0.000 0.256 16 G C -0.033 174.936 174.900 0.116 0.000 1.333 16 G CA -0.271 44.887 45.100 0.097 0.000 0.904 16 G HN 0.207 nan 8.290 nan 0.000 0.569 17 I N 1.722 122.367 120.570 0.125 0.000 2.752 17 I HA 0.050 4.222 4.170 0.003 0.000 0.289 17 I C -0.820 175.385 176.117 0.148 0.000 1.197 17 I CA -0.940 60.449 61.300 0.148 0.000 1.432 17 I CB 0.845 38.967 38.000 0.204 0.000 1.359 17 I HN 0.274 nan 8.210 nan 0.000 0.571 18 P HA -0.218 nan 4.420 nan 0.000 0.218 18 P C 0.939 178.362 177.300 0.205 0.000 1.146 18 P CA 1.607 64.787 63.100 0.134 0.000 0.820 18 P CB 0.129 31.896 31.700 0.113 0.000 0.778 19 F N -2.971 117.009 119.950 0.050 0.000 2.549 19 F HA 0.202 4.731 4.527 0.003 0.000 0.275 19 F C 1.933 177.784 175.800 0.085 0.000 0.990 19 F CA -0.243 57.773 58.000 0.026 0.000 1.274 19 F CB -0.653 38.362 39.000 0.024 0.000 1.064 19 F HN -0.285 nan 8.300 nan 0.000 0.715 20 F N 1.721 121.692 119.950 0.035 0.000 2.069 20 F HA -0.178 4.351 4.527 0.003 0.000 0.298 20 F C 2.525 178.269 175.800 -0.093 0.000 1.113 20 F CA 2.309 60.279 58.000 -0.050 0.000 1.214 20 F CB -1.027 37.991 39.000 0.030 0.000 0.978 20 F HN 0.073 nan 8.300 nan 0.000 0.474 21 Q N 1.262 120.975 119.800 -0.146 0.000 1.985 21 Q HA -0.175 4.166 4.340 0.003 0.000 0.207 21 Q C -0.552 175.311 176.000 -0.229 0.000 0.996 21 Q CA 3.086 58.739 55.803 -0.249 0.000 0.851 21 Q CB -1.765 26.932 28.738 -0.068 0.000 0.921 21 Q HN 0.259 nan 8.270 nan 0.000 0.418 22 P HA -0.197 nan 4.420 nan 0.000 0.217 22 P C 1.038 178.181 177.300 -0.262 0.000 1.148 22 P CA 1.512 64.496 63.100 -0.194 0.000 0.834 22 P CB -0.137 31.450 31.700 -0.190 0.000 0.783 23 I N -0.063 120.314 120.570 -0.321 0.000 2.235 23 I HA -0.171 4.001 4.170 0.003 0.000 0.241 23 I C 2.845 178.822 176.117 -0.234 0.000 1.085 23 I CA 1.290 62.414 61.300 -0.294 0.000 1.378 23 I CB -0.563 37.244 38.000 -0.321 0.000 1.076 23 I HN -0.046 nan 8.210 nan 0.000 0.415 24 K N 1.257 121.451 120.400 -0.344 0.000 2.032 24 K HA -0.244 4.078 4.320 0.003 0.000 0.209 24 K C 1.694 178.162 176.600 -0.220 0.000 1.048 24 K CA 2.153 58.222 56.287 -0.364 0.000 0.927 24 K CB -0.081 31.987 32.500 -0.721 0.000 0.712 24 K HN 0.195 nan 8.250 nan 0.000 0.441 25 D N 0.288 120.574 120.400 -0.189 0.000 2.104 25 D HA -0.193 4.448 4.640 0.003 0.000 0.194 25 D C 1.994 178.172 176.300 -0.204 0.000 0.994 25 D CA 1.068 55.028 54.000 -0.066 0.000 0.830 25 D CB -0.288 40.526 40.800 0.024 0.000 0.959 25 D HN 0.292 nan 8.370 nan 0.000 0.452 26 R N 0.457 120.801 120.500 -0.260 0.000 2.112 26 R HA -0.167 4.174 4.340 0.003 0.000 0.242 26 R C 2.493 178.689 176.300 -0.172 0.000 1.137 26 R CA 1.189 57.100 56.100 -0.314 0.000 0.944 26 R CB -0.469 29.719 30.300 -0.187 0.000 0.857 26 R HN 0.176 nan 8.270 nan 0.000 0.435 27 L N 0.347 121.552 121.223 -0.030 0.000 2.083 27 L HA -0.175 4.166 4.340 0.003 0.000 0.209 27 L C 2.678 179.555 176.870 0.012 0.000 1.083 27 L CA 1.596 56.509 54.840 0.121 0.000 0.752 27 L CB -0.467 41.641 42.059 0.081 0.000 0.899 27 L HN 0.402 nan 8.230 nan 0.000 0.433 28 E N -0.357 119.795 120.200 -0.080 0.000 2.028 28 E HA -0.287 4.064 4.350 0.003 0.000 0.191 28 E C 2.226 178.699 176.600 -0.211 0.000 0.988 28 E CA 1.390 57.752 56.400 -0.063 0.000 0.799 28 E CB -0.220 29.513 29.700 0.055 0.000 0.755 28 E HN 0.458 nan 8.360 nan 0.000 0.447 29 Y N -0.288 119.584 120.300 -0.712 0.000 2.193 29 Y HA -0.274 4.278 4.550 0.003 0.000 0.285 29 Y C 1.707 177.125 175.900 -0.803 0.000 1.166 29 Y CA 1.933 59.381 58.100 -1.086 0.000 1.181 29 Y CB -0.121 37.419 38.460 -1.533 0.000 0.976 29 Y HN 0.082 nan 8.280 nan 0.000 0.520 30 F N -2.644 117.072 119.950 -0.389 0.000 2.446 30 F HA 0.024 4.552 4.527 0.003 0.000 0.292 30 F C 0.917 176.250 175.800 -0.779 0.000 1.096 30 F CA 0.740 58.334 58.000 -0.676 0.000 1.438 30 F CB -0.471 37.922 39.000 -1.010 0.000 1.107 30 F HN 0.008 nan 8.300 nan 0.000 0.546 31 Y N -1.182 119.194 120.300 0.127 0.000 2.527 31 Y HA 0.436 4.988 4.550 0.003 0.000 0.247 31 Y C 1.395 177.296 175.900 0.002 0.000 1.138 31 Y CA -0.931 57.207 58.100 0.062 0.000 1.228 31 Y CB -0.677 37.815 38.460 0.054 0.000 1.252 31 Y HN -0.155 nan 8.280 nan 0.000 0.531 32 G N 1.417 110.247 108.800 0.050 0.000 2.441 32 G HA2 0.290 4.252 3.960 0.003 0.000 0.243 32 G HA3 0.290 4.252 3.960 0.003 0.000 0.243 32 G C 0.256 175.170 174.900 0.023 0.000 1.281 32 G CA -0.242 44.874 45.100 0.027 0.000 0.854 32 G HN 0.214 nan 8.290 nan 0.000 0.560 33 T N -0.323 114.250 114.554 0.031 0.000 2.867 33 T HA 0.422 4.774 4.350 0.003 0.000 0.297 33 T C 1.397 176.112 174.700 0.024 0.000 0.989 33 T CA 0.481 62.601 62.100 0.033 0.000 1.159 33 T CB 1.069 69.957 68.868 0.033 0.000 0.928 33 T HN 2.000 nan 8.240 nan 0.000 0.538 34 G N 1.679 110.496 108.800 0.029 0.000 2.255 34 G HA2 0.332 4.293 3.960 0.003 0.000 0.196 34 G HA3 0.332 4.293 3.960 0.003 0.000 0.196 34 G C 0.839 175.752 174.900 0.021 0.000 0.998 34 G CA 0.238 45.361 45.100 0.038 0.000 0.656 34 G HN 2.305 nan 8.290 nan 0.000 0.490 35 G N 0.290 109.075 108.800 -0.025 0.000 2.750 35 G HA2 -0.008 3.954 3.960 0.003 0.000 0.228 35 G HA3 -0.008 3.954 3.960 0.003 0.000 0.228 35 G C 0.886 175.649 174.900 -0.228 0.000 1.367 35 G CA 1.075 46.115 45.100 -0.099 0.000 0.871 35 G HN 1.685 nan 8.290 nan 0.000 0.560 36 R N -0.476 119.763 120.500 -0.435 0.000 2.189 36 R HA -0.012 4.330 4.340 0.003 0.000 0.223 36 R C 1.573 177.580 176.300 -0.487 0.000 1.092 36 R CA 2.037 57.654 56.100 -0.805 0.000 0.989 36 R CB -0.302 29.208 30.300 -1.317 0.000 0.876 36 R HN 0.439 nan 8.270 nan 0.000 0.457 37 D N 1.173 121.531 120.400 -0.070 0.000 2.117 37 D HA -0.163 4.479 4.640 0.003 0.000 0.197 37 D C 1.748 178.199 176.300 0.252 0.000 0.987 37 D CA 1.345 55.514 54.000 0.281 0.000 0.829 37 D CB -0.113 40.961 40.800 0.456 0.000 0.961 37 D HN 0.301 nan 8.370 nan 0.000 0.460 38 E N -0.638 119.629 120.200 0.111 0.000 2.150 38 E HA -0.173 4.179 4.350 0.003 0.000 0.193 38 E C 1.782 178.395 176.600 0.022 0.000 0.985 38 E CA 0.614 57.074 56.400 0.099 0.000 0.814 38 E CB -0.430 29.301 29.700 0.050 0.000 0.752 38 E HN 0.380 nan 8.360 nan 0.000 0.466 39 Y N -0.468 119.664 120.300 -0.281 0.000 2.207 39 Y HA -0.209 4.343 4.550 0.003 0.000 0.287 39 Y C 1.304 177.037 175.900 -0.278 0.000 1.156 39 Y CA 1.782 59.646 58.100 -0.393 0.000 1.182 39 Y CB -0.185 37.857 38.460 -0.696 0.000 0.979 39 Y HN 0.074 nan 8.280 nan 0.000 0.521 40 F N -0.820 119.146 119.950 0.026 0.000 2.220 40 F HA 0.106 4.634 4.527 0.003 0.000 0.290 40 F C 2.639 178.568 175.800 0.214 0.000 1.080 40 F CA 1.120 59.168 58.000 0.079 0.000 1.318 40 F CB -1.102 37.767 39.000 -0.219 0.000 1.063 40 F HN -0.193 nan 8.300 nan 0.000 0.498 41 R N 0.929 121.734 120.500 0.508 0.000 2.094 41 R HA -0.195 4.146 4.340 0.003 0.000 0.239 41 R C 2.411 178.848 176.300 0.228 0.000 1.137 41 R CA 2.141 58.534 56.100 0.487 0.000 0.943 41 R CB -0.601 29.962 30.300 0.439 0.000 0.850 41 R HN 0.409 nan 8.270 nan 0.000 0.433 42 S N 0.004 115.761 115.700 0.095 0.000 2.419 42 S HA -0.118 4.353 4.470 0.003 0.000 0.233 42 S C 1.949 176.470 174.600 -0.132 0.000 1.016 42 S CA 0.902 59.085 58.200 -0.027 0.000 0.974 42 S CB -0.269 62.888 63.200 -0.072 0.000 0.786 42 S HN 0.405 nan 8.310 nan 0.000 0.492 43 R N -0.083 120.299 120.500 -0.198 0.000 2.119 43 R HA 0.235 4.576 4.340 0.003 0.000 0.222 43 R C 2.498 178.647 176.300 -0.251 0.000 1.088 43 R CA 1.072 56.900 56.100 -0.454 0.000 0.984 43 R CB -0.346 29.364 30.300 -0.984 0.000 0.884 43 R HN 0.483 nan 8.270 nan 0.000 0.447 44 M N 0.791 120.463 119.600 0.120 0.000 2.117 44 M HA -0.236 4.245 4.480 0.003 0.000 0.262 44 M C 2.363 178.779 176.300 0.194 0.000 1.065 44 M CA 1.737 57.255 55.300 0.363 0.000 1.114 44 M CB -0.013 32.855 32.600 0.446 0.000 1.361 44 M HN 0.125 nan 8.290 nan 0.000 0.408 45 Q N 0.279 120.133 119.800 0.091 0.000 2.083 45 Q HA -0.229 4.113 4.340 0.003 0.000 0.198 45 Q C 2.034 178.002 176.000 -0.052 0.000 0.969 45 Q CA 1.636 57.459 55.803 0.033 0.000 0.838 45 Q CB -0.131 28.615 28.738 0.013 0.000 0.900 45 Q HN 0.491 nan 8.270 nan 0.000 0.436 46 K N -0.329 119.956 120.400 -0.193 0.000 2.044 46 K HA -0.199 4.123 4.320 0.003 0.000 0.210 46 K C 1.102 177.473 176.600 -0.381 0.000 1.049 46 K CA 1.778 57.826 56.287 -0.399 0.000 0.927 46 K CB -0.138 31.910 32.500 -0.754 0.000 0.713 46 K HN 0.310 nan 8.250 nan 0.000 0.443 47 Y N 0.768 121.030 120.300 -0.063 0.000 2.468 47 Y HA 0.178 4.729 4.550 0.003 0.000 0.268 47 Y C -0.038 175.898 175.900 0.060 0.000 1.177 47 Y CA -0.412 57.684 58.100 -0.007 0.000 1.265 47 Y CB 0.438 38.891 38.460 -0.012 0.000 1.103 47 Y HN 0.054 nan 8.280 nan 0.000 0.522 48 Q N 0.744 120.648 119.800 0.174 0.000 2.435 48 Q HA -0.225 4.116 4.340 0.003 0.000 0.312 48 Q C -0.250 175.886 176.000 0.226 0.000 1.333 48 Q CA 1.196 57.099 55.803 0.165 0.000 0.883 48 Q CB -1.707 27.103 28.738 0.120 0.000 1.170 48 Q HN 0.388 nan 8.270 nan 0.000 0.443 49 S N -1.457 114.419 115.700 0.293 0.000 2.536 49 S HA 0.537 5.009 4.470 0.003 0.000 0.271 49 S C 0.644 175.457 174.600 0.354 0.000 1.134 49 S CA 0.135 58.526 58.200 0.318 0.000 0.897 49 S CB 1.510 64.900 63.200 0.316 0.000 1.094 49 S HN 0.274 nan 8.310 nan 0.000 0.473 50 T N 0.456 115.164 114.554 0.257 0.000 3.122 50 T HA 0.368 4.720 4.350 0.003 0.000 0.250 50 T C 0.011 174.684 174.700 -0.046 0.000 1.067 50 T CA -0.072 62.147 62.100 0.198 0.000 0.966 50 T CB -0.191 68.795 68.868 0.198 0.000 1.002 50 T HN 0.363 nan 8.240 nan 0.000 0.542 51 V N 2.759 122.587 119.914 -0.143 0.000 2.524 51 V HA 0.734 4.856 4.120 0.003 0.000 0.297 51 V C -0.976 174.842 176.094 -0.461 0.000 1.035 51 V CA -1.172 60.835 62.300 -0.488 0.000 0.867 51 V CB 1.027 32.427 31.823 -0.704 0.000 1.004 51 V HN 0.558 nan 8.190 nan 0.000 0.426 52 F N 2.041 121.814 119.950 -0.296 0.000 2.745 52 F HA 0.776 5.304 4.527 0.003 0.000 0.316 52 F C -0.562 175.072 175.800 -0.277 0.000 1.155 52 F CA -1.686 56.100 58.000 -0.356 0.000 0.937 52 F CB 1.312 40.088 39.000 -0.373 0.000 1.361 52 F HN 0.219 nan 8.300 nan 0.000 0.472 53 R N 1.062 121.546 120.500 -0.027 0.000 2.459 53 R HA 0.867 5.209 4.340 0.003 0.000 0.281 53 R C -0.807 175.528 176.300 0.058 0.000 1.050 53 R CA -0.463 55.567 56.100 -0.117 0.000 1.055 53 R CB 1.364 31.335 30.300 -0.548 0.000 1.045 53 R HN 1.037 nan 8.270 nan 0.000 0.495 54 A N 2.173 125.130 122.820 0.229 0.000 2.586 54 A HA 0.364 4.685 4.320 0.003 0.000 0.291 54 A C -1.512 176.307 177.584 0.392 0.000 1.062 54 A CA -1.006 51.214 52.037 0.306 0.000 0.666 54 A CB 1.390 20.632 19.000 0.404 0.000 1.281 54 A HN 0.641 nan 8.150 nan 0.000 0.421 55 N N 0.485 119.352 118.700 0.278 0.000 2.489 55 N HA 0.735 5.477 4.740 0.003 0.000 0.284 55 N C -0.831 174.697 175.510 0.030 0.000 1.158 55 N CA -0.138 52.988 53.050 0.126 0.000 0.965 55 N CB 1.191 39.708 38.487 0.050 0.000 1.195 55 N HN 0.605 nan 8.380 nan 0.000 0.506 56 M N 0.847 120.365 119.600 -0.136 0.000 2.550 56 M HA 0.468 4.950 4.480 0.003 0.000 0.292 56 M C -2.430 173.607 176.300 -0.438 0.000 1.221 56 M CA -1.987 53.104 55.300 -0.349 0.000 0.873 56 M CB 1.765 34.165 32.600 -0.334 0.000 1.727 56 M HN 0.117 nan 8.290 nan 0.000 0.459 57 P HA 0.153 nan 4.420 nan 0.000 0.271 57 P C -1.937 175.176 177.300 -0.311 0.000 1.244 57 P CA -0.485 62.292 63.100 -0.539 0.000 0.793 57 P CB 0.008 31.243 31.700 -0.776 0.000 0.984 58 P HA 0.018 nan 4.420 nan 0.000 0.240 58 P C 0.755 177.900 177.300 -0.257 0.000 1.190 58 P CA 1.008 63.941 63.100 -0.278 0.000 0.781 58 P CB -0.062 31.401 31.700 -0.395 0.000 0.931 59 G N 0.560 109.218 108.800 -0.238 0.000 2.552 59 G HA2 -0.241 3.721 3.960 0.003 0.000 0.265 59 G HA3 -0.241 3.721 3.960 0.003 0.000 0.265 59 G C -2.153 172.592 174.900 -0.258 0.000 1.234 59 G CA -0.009 44.946 45.100 -0.242 0.000 0.944 59 G HN 0.126 nan 8.290 nan 0.000 0.568 60 P HA -0.251 nan 4.420 nan 0.000 0.258 60 P C 1.450 178.543 177.300 -0.345 0.000 0.950 60 P CA 3.079 65.876 63.100 -0.506 0.000 1.120 60 P CB -0.411 30.828 31.700 -0.767 0.000 0.775 61 F N -2.162 117.723 119.950 -0.109 0.000 2.269 61 F HA -0.104 4.425 4.527 0.003 0.000 0.301 61 F C 2.268 178.026 175.800 -0.071 0.000 1.082 61 F CA 0.919 58.867 58.000 -0.087 0.000 1.360 61 F CB -1.467 37.412 39.000 -0.202 0.000 1.041 61 F HN -0.107 nan 8.300 nan 0.000 0.512 62 V N -1.872 118.039 119.914 -0.006 0.000 2.788 62 V HA -0.021 4.101 4.120 0.003 0.000 0.251 62 V C 0.906 176.982 176.094 -0.029 0.000 1.068 62 V CA 0.989 63.261 62.300 -0.046 0.000 1.090 62 V CB -0.195 31.492 31.823 -0.226 0.000 0.710 62 V HN 0.226 nan 8.190 nan 0.000 0.467 63 S N -0.392 115.278 115.700 -0.050 0.000 2.502 63 S HA 0.341 4.813 4.470 0.003 0.000 0.304 63 S C 0.907 175.501 174.600 -0.011 0.000 1.097 63 S CA 0.035 58.228 58.200 -0.012 0.000 1.045 63 S CB 1.806 64.978 63.200 -0.047 0.000 1.019 63 S HN 0.416 nan 8.310 nan 0.000 0.481 64 S N 3.325 119.033 115.700 0.013 0.000 2.575 64 S HA 0.230 4.701 4.470 0.003 0.000 0.215 64 S C 0.280 174.870 174.600 -0.017 0.000 0.966 64 S CA -0.197 58.013 58.200 0.016 0.000 0.911 64 S CB -0.355 62.864 63.200 0.032 0.000 0.780 64 S HN 0.627 nan 8.310 nan 0.000 0.514 65 N N 1.434 120.108 118.700 -0.044 0.000 2.664 65 N HA 0.332 5.073 4.740 0.003 0.000 0.268 65 N C -2.585 172.861 175.510 -0.107 0.000 1.222 65 N CA -1.563 51.439 53.050 -0.079 0.000 0.805 65 N CB 1.847 40.291 38.487 -0.071 0.000 1.399 65 N HN -0.052 nan 8.380 nan 0.000 0.547 66 P HA 0.029 nan 4.420 nan 0.000 0.240 66 P C -0.561 176.650 177.300 -0.148 0.000 1.190 66 P CA 0.343 63.359 63.100 -0.140 0.000 0.781 66 P CB 0.401 32.014 31.700 -0.144 0.000 0.931 67 K N 1.325 121.564 120.400 -0.269 0.000 2.416 67 K HA 0.311 4.632 4.320 0.003 0.000 0.283 67 K C 0.565 177.069 176.600 -0.161 0.000 1.037 67 K CA -0.102 55.896 56.287 -0.481 0.000 0.995 67 K CB 0.854 32.696 32.500 -1.096 0.000 0.938 67 K HN 0.002 nan 8.250 nan 0.000 0.475 68 V N 0.051 120.029 119.914 0.107 0.000 3.165 68 V HA 0.614 4.735 4.120 0.003 0.000 0.309 68 V C -0.952 175.290 176.094 0.246 0.000 1.267 68 V CA -1.218 61.185 62.300 0.171 0.000 1.067 68 V CB 1.663 33.594 31.823 0.181 0.000 1.082 68 V HN 0.612 nan 8.190 nan 0.000 0.451 69 I N 1.166 121.819 120.570 0.138 0.000 2.410 69 I HA 0.508 4.679 4.170 0.003 0.000 0.286 69 I C -0.684 175.399 176.117 -0.057 0.000 1.009 69 I CA -0.961 60.347 61.300 0.013 0.000 1.111 69 I CB 1.967 39.939 38.000 -0.046 0.000 1.262 69 I HN 0.466 nan 8.210 nan 0.000 0.443 70 V N 7.295 127.082 119.914 -0.212 0.000 2.461 70 V HA 0.310 4.432 4.120 0.003 0.000 0.275 70 V C 0.188 175.973 176.094 -0.514 0.000 1.047 70 V CA -0.333 61.756 62.300 -0.351 0.000 0.955 70 V CB 1.171 32.607 31.823 -0.645 0.000 0.988 70 V HN 0.463 nan 8.190 nan 0.000 0.471 71 L N 6.032 127.012 121.223 -0.404 0.000 2.296 71 L HA 0.495 4.837 4.340 0.003 0.000 0.286 71 L C 0.409 177.170 176.870 -0.181 0.000 1.023 71 L CA -0.278 54.392 54.840 -0.283 0.000 0.812 71 L CB 1.585 43.490 42.059 -0.257 0.000 1.223 71 L HN 0.586 nan 8.230 nan 0.000 0.421 72 L N 1.351 122.532 121.223 -0.071 0.000 2.878 72 L HA 0.182 4.524 4.340 0.003 0.000 0.253 72 L C 0.237 177.224 176.870 0.194 0.000 1.135 72 L CA -0.033 54.857 54.840 0.084 0.000 0.943 72 L CB 0.496 42.654 42.059 0.165 0.000 1.307 72 L HN 0.679 nan 8.230 nan 0.000 0.545 73 D N 0.011 120.505 120.400 0.157 0.000 2.272 73 D HA 0.263 4.904 4.640 0.003 0.000 0.247 73 D C 0.736 177.166 176.300 0.216 0.000 0.990 73 D CA -0.139 53.968 54.000 0.178 0.000 0.931 73 D CB 2.618 43.475 40.800 0.096 0.000 1.195 73 D HN -0.092 nan 8.370 nan 0.000 0.477 74 A N 0.938 123.925 122.820 0.277 0.000 2.067 74 A HA -0.157 4.165 4.320 0.003 0.000 0.219 74 A C 1.992 179.800 177.584 0.373 0.000 1.158 74 A CA 1.252 53.569 52.037 0.467 0.000 0.661 74 A CB -0.403 18.826 19.000 0.381 0.000 0.801 74 A HN 0.480 nan 8.150 nan 0.000 0.452 75 K N 0.872 121.274 120.400 0.004 0.000 2.031 75 K HA -0.078 4.244 4.320 0.003 0.000 0.205 75 K C 2.359 178.953 176.600 -0.011 0.000 1.049 75 K CA 2.004 58.246 56.287 -0.075 0.000 0.939 75 K CB -0.431 31.806 32.500 -0.437 0.000 0.717 75 K HN 0.539 nan 8.250 nan 0.000 0.438 76 S N -0.664 115.023 115.700 -0.022 0.000 2.388 76 S HA -0.055 4.416 4.470 0.003 0.000 0.223 76 S C 2.054 176.585 174.600 -0.116 0.000 1.034 76 S CA 0.440 58.618 58.200 -0.038 0.000 0.963 76 S CB -0.878 62.310 63.200 -0.019 0.000 0.827 76 S HN 0.265 nan 8.310 nan 0.000 0.481 77 F N 4.098 123.919 119.950 -0.215 0.000 2.106 77 F HA -0.100 4.429 4.527 0.003 0.000 0.299 77 F C -1.059 174.293 175.800 -0.747 0.000 1.082 77 F CA 1.915 59.678 58.000 -0.396 0.000 1.244 77 F CB -1.391 37.466 39.000 -0.240 0.000 0.997 77 F HN 0.236 nan 8.300 nan 0.000 0.486 78 P HA -0.233 nan 4.420 nan 0.000 0.216 78 P C 1.892 178.749 177.300 -0.738 0.000 1.150 78 P CA 1.600 64.228 63.100 -0.786 0.000 0.843 78 P CB -0.163 31.363 31.700 -0.290 0.000 0.787 79 I N -0.804 119.452 120.570 -0.524 0.000 2.300 79 I HA -0.247 3.924 4.170 0.003 0.000 0.252 79 I C 1.769 177.598 176.117 -0.480 0.000 1.119 79 I CA 1.528 62.562 61.300 -0.443 0.000 1.384 79 I CB -0.752 37.035 38.000 -0.356 0.000 1.062 79 I HN -0.131 nan 8.210 nan 0.000 0.426 80 L N -1.033 119.762 121.223 -0.713 0.000 2.265 80 L HA -0.190 4.152 4.340 0.003 0.000 0.215 80 L C 2.019 178.654 176.870 -0.391 0.000 1.117 80 L CA 0.803 55.266 54.840 -0.629 0.000 0.782 80 L CB -0.678 40.812 42.059 -0.948 0.000 0.914 80 L HN 0.192 nan 8.230 nan 0.000 0.441 81 F N -1.034 118.728 119.950 -0.314 0.000 2.335 81 F HA -0.019 4.509 4.527 0.003 0.000 0.296 81 F C 1.455 177.146 175.800 -0.181 0.000 1.091 81 F CA -0.347 57.513 58.000 -0.233 0.000 1.399 81 F CB -0.670 38.173 39.000 -0.262 0.000 1.067 81 F HN -0.023 nan 8.300 nan 0.000 0.520 82 D N 1.887 122.258 120.400 -0.048 0.000 2.479 82 D HA -0.016 4.625 4.640 0.003 0.000 0.253 82 D C 1.523 177.768 176.300 -0.091 0.000 1.278 82 D CA 0.177 54.120 54.000 -0.095 0.000 1.145 82 D CB 0.516 41.200 40.800 -0.193 0.000 1.118 82 D HN 0.170 nan 8.370 nan 0.000 0.513 83 V N 1.910 121.795 119.914 -0.049 0.000 3.026 83 V HA -0.181 3.941 4.120 0.003 0.000 0.265 83 V C 2.009 178.074 176.094 -0.047 0.000 1.121 83 V CA 1.634 63.907 62.300 -0.045 0.000 1.142 83 V CB -0.958 30.838 31.823 -0.045 0.000 0.730 83 V HN 0.474 nan 8.190 nan 0.000 0.503 84 S N 0.030 115.694 115.700 -0.059 0.000 2.489 84 S HA 0.002 4.473 4.470 0.003 0.000 0.228 84 S C 1.751 176.326 174.600 -0.042 0.000 0.995 84 S CA 1.021 59.192 58.200 -0.048 0.000 0.934 84 S CB -0.209 62.958 63.200 -0.055 0.000 0.771 84 S HN 0.753 nan 8.310 nan 0.000 0.522 85 K N 0.440 120.794 120.400 -0.076 0.000 2.424 85 K HA 0.286 4.608 4.320 0.003 0.000 0.198 85 K C 0.137 176.795 176.600 0.097 0.000 1.190 85 K CA 0.453 56.716 56.287 -0.040 0.000 0.935 85 K CB 1.178 33.431 32.500 -0.411 0.000 1.087 85 K HN 0.403 nan 8.250 nan 0.000 0.524 86 V N 0.084 120.007 119.914 0.015 0.000 2.630 86 V HA 0.409 4.531 4.120 0.003 0.000 0.305 86 V C -0.481 175.630 176.094 0.029 0.000 1.046 86 V CA -1.004 61.331 62.300 0.058 0.000 0.934 86 V CB 1.844 33.673 31.823 0.010 0.000 1.003 86 V HN 0.118 nan 8.190 nan 0.000 0.451 87 E N 2.372 122.597 120.200 0.041 0.000 2.248 87 E HA 0.444 4.796 4.350 0.003 0.000 0.272 87 E C -0.571 176.049 176.600 0.033 0.000 1.008 87 E CA -0.866 55.548 56.400 0.025 0.000 0.856 87 E CB 1.227 30.942 29.700 0.026 0.000 1.120 87 E HN 0.693 nan 8.360 nan 0.000 0.397 88 K N 3.464 123.877 120.400 0.023 0.000 3.084 88 K HA 0.186 4.507 4.320 0.003 0.000 0.210 88 K C -0.824 175.810 176.600 0.057 0.000 1.137 88 K CA -0.239 56.078 56.287 0.049 0.000 1.010 88 K CB 0.584 33.108 32.500 0.041 0.000 0.806 88 K HN 0.316 nan 8.250 nan 0.000 0.460 89 K N 1.863 122.293 120.400 0.050 0.000 2.234 89 K HA 0.070 4.392 4.320 0.003 0.000 0.277 89 K C -0.622 176.024 176.600 0.077 0.000 1.038 89 K CA -0.078 56.243 56.287 0.056 0.000 0.888 89 K CB 0.555 33.073 32.500 0.030 0.000 1.091 89 K HN 0.151 nan 8.250 nan 0.000 0.467 90 D N 3.182 123.660 120.400 0.129 0.000 2.737 90 D HA -0.173 4.469 4.640 0.003 0.000 0.233 90 D C 0.038 176.426 176.300 0.147 0.000 1.155 90 D CA 1.133 55.233 54.000 0.168 0.000 0.667 90 D CB -0.896 39.928 40.800 0.040 0.000 1.060 90 D HN 0.468 nan 8.370 nan 0.000 0.427 91 L N -4.311 117.003 121.223 0.153 0.000 3.358 91 L HA 0.384 4.726 4.340 0.003 0.000 0.301 91 L C 1.230 178.158 176.870 0.095 0.000 1.276 91 L CA -0.620 54.245 54.840 0.042 0.000 1.028 91 L CB -0.537 41.533 42.059 0.018 0.000 1.421 91 L HN -0.115 nan 8.230 nan 0.000 0.604 92 F N 1.933 121.870 119.950 -0.022 0.000 2.154 92 F HA -0.187 4.342 4.527 0.003 0.000 0.301 92 F C 2.130 177.924 175.800 -0.011 0.000 1.087 92 F CA 2.352 60.289 58.000 -0.105 0.000 1.274 92 F CB -0.233 38.443 39.000 -0.541 0.000 1.009 92 F HN 0.385 nan 8.300 nan 0.000 0.485 93 T N -2.893 111.570 114.554 -0.153 0.000 2.925 93 T HA 0.568 4.920 4.350 0.003 0.000 0.245 93 T C 1.384 175.897 174.700 -0.313 0.000 1.025 93 T CA 0.541 62.476 62.100 -0.275 0.000 1.149 93 T CB -0.284 68.337 68.868 -0.412 0.000 0.866 93 T HN 0.494 nan 8.240 nan 0.000 0.437 94 G N 1.137 109.586 108.800 -0.585 0.000 2.600 94 G HA2 0.262 4.224 3.960 0.003 0.000 0.103 94 G HA3 0.262 4.224 3.960 0.003 0.000 0.103 94 G C -0.003 174.437 174.900 -0.766 0.000 1.090 94 G CA 0.068 44.401 45.100 -1.278 0.000 1.090 94 G HN 0.588 nan 8.290 nan 0.000 0.500 95 T N -1.009 113.230 114.554 -0.526 0.000 3.535 95 T HA 0.536 4.887 4.350 0.003 0.000 0.238 95 T C -0.161 174.533 174.700 -0.010 0.000 0.909 95 T CA 0.825 62.796 62.100 -0.214 0.000 0.928 95 T CB -1.132 67.650 68.868 -0.144 0.000 1.134 95 T HN 1.842 nan 8.240 nan 0.000 0.627 96 Y N -1.696 118.515 120.300 -0.148 0.000 2.661 96 Y HA 0.556 5.108 4.550 0.003 0.000 0.339 96 Y C -2.043 173.851 175.900 -0.011 0.000 1.186 96 Y CA -1.979 56.081 58.100 -0.068 0.000 1.137 96 Y CB 1.083 39.506 38.460 -0.062 0.000 1.354 96 Y HN 0.164 nan 8.280 nan 0.000 0.469 97 M N 5.259 124.840 119.600 -0.032 0.000 2.204 97 M HA 0.567 5.049 4.480 0.003 0.000 0.293 97 M C -2.951 173.369 176.300 0.034 0.000 0.994 97 M CA -1.817 53.403 55.300 -0.132 0.000 0.925 97 M CB 2.188 34.697 32.600 -0.153 0.000 1.577 97 M HN 0.602 nan 8.290 nan 0.000 0.439 98 P HA -0.023 nan 4.420 nan 0.000 0.264 98 P C -0.691 176.640 177.300 0.052 0.000 1.183 98 P CA 0.327 63.545 63.100 0.198 0.000 0.763 98 P CB 0.581 32.427 31.700 0.243 0.000 0.807 99 S N 1.995 117.751 115.700 0.092 0.000 2.561 99 S HA -0.038 4.434 4.470 0.003 0.000 0.294 99 S C 1.379 175.977 174.600 -0.004 0.000 1.294 99 S CA 0.463 58.685 58.200 0.037 0.000 1.055 99 S CB -0.142 63.098 63.200 0.068 0.000 0.819 99 S HN 0.567 nan 8.310 nan 0.000 0.503 100 T N 3.887 118.406 114.554 -0.058 0.000 2.962 100 T HA -0.020 4.331 4.350 0.003 0.000 0.270 100 T C 1.569 176.230 174.700 -0.064 0.000 1.088 100 T CA 0.590 62.641 62.100 -0.083 0.000 1.127 100 T CB -0.121 68.679 68.868 -0.113 0.000 0.883 100 T HN 0.573 nan 8.240 nan 0.000 0.493 101 K N 1.385 121.762 120.400 -0.039 0.000 2.281 101 K HA 0.076 4.397 4.320 0.003 0.000 0.203 101 K C 1.803 178.365 176.600 -0.064 0.000 1.046 101 K CA 0.715 56.975 56.287 -0.045 0.000 0.938 101 K CB -0.496 32.008 32.500 0.007 0.000 0.737 101 K HN 0.454 nan 8.250 nan 0.000 0.458 102 L N 1.172 122.398 121.223 0.005 0.000 2.627 102 L HA 0.004 4.346 4.340 0.003 0.000 0.233 102 L C 0.678 177.583 176.870 0.058 0.000 1.144 102 L CA 0.538 55.416 54.840 0.064 0.000 0.892 102 L CB -0.298 41.890 42.059 0.214 0.000 1.039 102 L HN 0.123 nan 8.230 nan 0.000 0.442 103 T N -4.588 109.955 114.554 -0.019 0.000 4.003 103 T HA 0.386 4.737 4.350 0.003 0.000 0.239 103 T C 0.928 175.560 174.700 -0.114 0.000 0.992 103 T CA 0.064 62.221 62.100 0.095 0.000 1.317 103 T CB 0.670 69.693 68.868 0.258 0.000 0.940 103 T HN 0.245 nan 8.240 nan 0.000 0.593 104 G N 0.514 109.089 108.800 -0.374 0.000 2.175 104 G HA2 0.044 4.005 3.960 0.003 0.000 0.265 104 G HA3 0.044 4.005 3.960 0.003 0.000 0.265 104 G C 1.318 175.959 174.900 -0.432 0.000 0.979 104 G CA 0.866 45.561 45.100 -0.676 0.000 0.663 104 G HN 2.118 nan 8.290 nan 0.000 0.533 105 G N -2.517 106.100 108.800 -0.305 0.000 2.217 105 G HA2 -0.234 3.727 3.960 0.003 0.000 0.246 105 G HA3 -0.234 3.727 3.960 0.003 0.000 0.246 105 G C 0.372 175.061 174.900 -0.352 0.000 0.990 105 G CA 0.734 45.632 45.100 -0.337 0.000 0.627 105 G HN 1.266 nan 8.290 nan 0.000 0.522 106 Y N 0.381 120.601 120.300 -0.133 0.000 2.354 106 Y HA 0.694 5.246 4.550 0.003 0.000 0.322 106 Y C 1.267 177.104 175.900 -0.106 0.000 1.253 106 Y CA -0.714 57.331 58.100 -0.091 0.000 1.272 106 Y CB 0.735 39.163 38.460 -0.054 0.000 1.255 106 Y HN 0.015 nan 8.280 nan 0.000 0.500 107 R N 1.867 122.419 120.500 0.086 0.000 2.204 107 R HA 0.377 4.719 4.340 0.003 0.000 0.341 107 R C -0.765 175.535 176.300 0.000 0.000 1.035 107 R CA -0.605 55.476 56.100 -0.032 0.000 0.887 107 R CB 0.447 30.723 30.300 -0.040 0.000 1.114 107 R HN 0.600 nan 8.270 nan 0.000 0.473 108 V N 1.962 121.852 119.914 -0.041 0.000 3.185 108 V HA 0.018 4.139 4.120 0.003 0.000 0.305 108 V C 1.651 177.639 176.094 -0.178 0.000 1.090 108 V CA -0.511 61.700 62.300 -0.148 0.000 1.107 108 V CB 0.515 32.090 31.823 -0.412 0.000 1.061 108 V HN 0.733 nan 8.190 nan 0.000 0.480 109 L N 2.984 124.060 121.223 -0.245 0.000 2.011 109 L HA -0.201 4.140 4.340 0.003 0.000 0.225 109 L C 2.601 179.285 176.870 -0.310 0.000 1.084 109 L CA 2.847 57.533 54.840 -0.256 0.000 0.791 109 L CB -1.088 40.795 42.059 -0.293 0.000 0.898 109 L HN 0.957 nan 8.230 nan 0.000 0.440 110 S N -1.504 113.856 115.700 -0.566 0.000 2.407 110 S HA -0.246 4.226 4.470 0.003 0.000 0.235 110 S C 1.567 175.790 174.600 -0.629 0.000 1.036 110 S CA 1.889 59.584 58.200 -0.841 0.000 1.013 110 S CB -0.634 61.505 63.200 -1.767 0.000 0.820 110 S HN 0.655 nan 8.310 nan 0.000 0.476 111 Y N 0.792 120.904 120.300 -0.314 0.000 2.490 111 Y HA 0.350 4.902 4.550 0.003 0.000 0.281 111 Y C 0.555 176.424 175.900 -0.050 0.000 1.174 111 Y CA -0.211 57.818 58.100 -0.119 0.000 1.295 111 Y CB -0.258 38.124 38.460 -0.130 0.000 1.062 111 Y HN 0.126 nan 8.280 nan 0.000 0.522 112 L N 0.261 121.534 121.223 0.084 0.000 2.357 112 L HA 0.293 4.634 4.340 0.003 0.000 0.273 112 L C -0.294 176.635 176.870 0.098 0.000 1.080 112 L CA -0.727 54.177 54.840 0.107 0.000 0.803 112 L CB 0.958 43.088 42.059 0.118 0.000 1.174 112 L HN -0.029 nan 8.230 nan 0.000 0.443 113 D N 2.051 122.457 120.400 0.010 0.000 2.255 113 D HA 0.212 4.854 4.640 0.003 0.000 0.249 113 D C -1.805 174.327 176.300 -0.281 0.000 1.078 113 D CA -1.561 52.377 54.000 -0.103 0.000 0.896 113 D CB 1.707 42.475 40.800 -0.053 0.000 1.194 113 D HN 0.208 nan 8.370 nan 0.000 0.429 114 P HA -0.108 nan 4.420 nan 0.000 0.226 114 P C 0.564 177.740 177.300 -0.207 0.000 1.146 114 P CA 0.839 63.547 63.100 -0.653 0.000 0.773 114 P CB 0.062 31.460 31.700 -0.504 0.000 0.772 115 S N -2.083 113.540 115.700 -0.128 0.000 2.603 115 S HA 0.032 4.504 4.470 0.003 0.000 0.220 115 S C 0.525 175.112 174.600 -0.021 0.000 0.967 115 S CA -0.031 58.136 58.200 -0.054 0.000 0.920 115 S CB -0.678 62.498 63.200 -0.040 0.000 0.773 115 S HN 0.183 nan 8.310 nan 0.000 0.529 116 E N 2.035 122.229 120.200 -0.010 0.000 2.109 116 E HA 0.255 4.607 4.350 0.003 0.000 0.278 116 E C -2.087 174.545 176.600 0.052 0.000 0.954 116 E CA -2.532 53.883 56.400 0.025 0.000 0.779 116 E CB 1.399 31.122 29.700 0.038 0.000 1.093 116 E HN 0.072 nan 8.360 nan 0.000 0.401 117 P HA -0.267 nan 4.420 nan 0.000 0.219 117 P C 1.221 178.541 177.300 0.033 0.000 1.161 117 P CA 1.181 64.300 63.100 0.031 0.000 0.909 117 P CB 0.225 31.934 31.700 0.016 0.000 0.793 118 R N -1.530 118.983 120.500 0.022 0.000 2.211 118 R HA -0.200 4.142 4.340 0.003 0.000 0.240 118 R C 2.300 178.590 176.300 -0.017 0.000 1.144 118 R CA 1.167 57.263 56.100 -0.007 0.000 0.992 118 R CB -1.509 28.785 30.300 -0.011 0.000 0.869 118 R HN 0.506 nan 8.270 nan 0.000 0.462 119 H N 0.362 119.399 119.070 -0.054 0.000 2.270 119 H HA -0.080 4.478 4.556 0.003 0.000 0.299 119 H C 1.652 176.931 175.328 -0.081 0.000 1.077 119 H CA 2.040 58.046 56.048 -0.070 0.000 1.294 119 H CB 0.123 29.856 29.762 -0.049 0.000 1.371 119 H HN 0.167 nan 8.280 nan 0.000 0.491 120 A N 1.024 123.896 122.820 0.087 0.000 1.972 120 A HA -0.184 4.137 4.320 0.003 0.000 0.219 120 A C 2.484 180.033 177.584 -0.059 0.000 1.169 120 A CA 1.611 53.670 52.037 0.037 0.000 0.635 120 A CB -0.484 18.570 19.000 0.090 0.000 0.810 120 A HN 0.631 nan 8.150 nan 0.000 0.446 121 Q N -0.526 119.237 119.800 -0.062 0.000 2.016 121 Q HA -0.024 4.318 4.340 0.003 0.000 0.200 121 Q C 2.028 177.947 176.000 -0.134 0.000 0.978 121 Q CA 1.373 57.129 55.803 -0.078 0.000 0.833 121 Q CB -0.286 28.416 28.738 -0.061 0.000 0.895 121 Q HN 0.658 nan 8.270 nan 0.000 0.427 122 L N 0.511 121.628 121.223 -0.178 0.000 2.217 122 L HA -0.111 4.230 4.340 0.003 0.000 0.211 122 L C 2.439 179.121 176.870 -0.313 0.000 1.107 122 L CA 0.790 55.500 54.840 -0.218 0.000 0.783 122 L CB -0.200 41.733 42.059 -0.211 0.000 0.919 122 L HN 0.145 nan 8.230 nan 0.000 0.442 123 K N 0.679 120.826 120.400 -0.422 0.000 2.031 123 K HA -0.121 4.201 4.320 0.003 0.000 0.205 123 K C 1.778 177.931 176.600 -0.745 0.000 1.049 123 K CA 1.423 57.315 56.287 -0.659 0.000 0.939 123 K CB 0.032 32.102 32.500 -0.716 0.000 0.717 123 K HN 0.333 nan 8.250 nan 0.000 0.438 124 N N 0.542 119.036 118.700 -0.343 0.000 2.120 124 N HA -0.183 4.558 4.740 0.003 0.000 0.188 124 N C 1.690 177.194 175.510 -0.011 0.000 1.024 124 N CA 0.893 53.925 53.050 -0.031 0.000 0.852 124 N CB -0.098 38.431 38.487 0.069 0.000 1.003 124 N HN 0.064 nan 8.380 nan 0.000 0.424 125 L N 1.404 122.570 121.223 -0.095 0.000 2.042 125 L HA -0.116 4.226 4.340 0.003 0.000 0.210 125 L C 1.730 178.588 176.870 -0.020 0.000 1.076 125 L CA 1.494 56.303 54.840 -0.052 0.000 0.749 125 L CB -0.420 41.575 42.059 -0.106 0.000 0.893 125 L HN 0.227 nan 8.230 nan 0.000 0.432 126 L N -2.041 119.085 121.223 -0.161 0.000 2.156 126 L HA -0.149 4.193 4.340 0.003 0.000 0.208 126 L C 2.335 179.177 176.870 -0.046 0.000 1.095 126 L CA 0.587 55.322 54.840 -0.175 0.000 0.770 126 L CB -0.538 41.347 42.059 -0.290 0.000 0.914 126 L HN 0.206 nan 8.230 nan 0.000 0.439 127 F N -0.619 119.327 119.950 -0.007 0.000 2.234 127 F HA -0.214 4.314 4.527 0.002 0.000 0.299 127 F C 2.301 178.119 175.800 0.030 0.000 1.087 127 F CA 0.840 58.845 58.000 0.009 0.000 1.340 127 F CB -0.939 38.077 39.000 0.028 0.000 1.031 127 F HN -0.002 nan 8.300 nan 0.000 0.500 128 F N 0.086 120.106 119.950 0.117 0.000 2.163 128 F HA -0.180 4.349 4.527 0.003 0.000 0.297 128 F C 2.555 178.353 175.800 -0.003 0.000 1.094 128 F CA 1.429 59.458 58.000 0.049 0.000 1.290 128 F CB -0.416 38.596 39.000 0.020 0.000 1.017 128 F HN -0.066 nan 8.300 nan 0.000 0.483 129 M N -0.131 119.487 119.600 0.030 0.000 2.149 129 M HA -0.216 4.265 4.480 0.003 0.000 0.261 129 M C 1.781 177.916 176.300 -0.274 0.000 1.064 129 M CA 1.788 56.994 55.300 -0.158 0.000 1.102 129 M CB -0.267 32.201 32.600 -0.220 0.000 1.369 129 M HN 0.323 nan 8.290 nan 0.000 0.408 130 L N -0.065 121.045 121.223 -0.188 0.000 1.993 130 L HA -0.192 4.149 4.340 0.003 0.000 0.206 130 L C 2.514 179.354 176.870 -0.051 0.000 1.074 130 L CA 1.554 56.331 54.840 -0.104 0.000 0.746 130 L CB -0.923 41.137 42.059 0.002 0.000 0.896 130 L HN 0.249 nan 8.230 nan 0.000 0.435 131 K N 1.079 121.441 120.400 -0.064 0.000 2.044 131 K HA -0.281 4.041 4.320 0.003 0.000 0.210 131 K C 1.714 178.203 176.600 -0.185 0.000 1.049 131 K CA 2.289 58.524 56.287 -0.086 0.000 0.927 131 K CB -0.504 31.949 32.500 -0.079 0.000 0.713 131 K HN 0.102 nan 8.250 nan 0.000 0.443 132 N N -0.529 117.923 118.700 -0.413 0.000 2.585 132 N HA -0.096 4.646 4.740 0.003 0.000 0.188 132 N C 0.305 175.675 175.510 -0.233 0.000 1.102 132 N CA 1.089 53.840 53.050 -0.499 0.000 0.920 132 N CB 0.038 37.879 38.487 -1.076 0.000 0.963 132 N HN 0.461 nan 8.380 nan 0.000 0.447 133 S N -2.330 113.290 115.700 -0.133 0.000 2.780 133 S HA 0.088 4.559 4.470 0.003 0.000 0.248 133 S C 0.393 175.024 174.600 0.051 0.000 1.036 133 S CA -0.345 57.834 58.200 -0.034 0.000 1.061 133 S CB -0.554 62.637 63.200 -0.015 0.000 1.037 133 S HN 0.192 nan 8.310 nan 0.000 0.584 134 S N 1.459 117.188 115.700 0.048 0.000 3.811 134 S HA 0.383 4.854 4.470 0.003 0.000 0.205 134 S C 0.309 174.951 174.600 0.070 0.000 1.445 134 S CA -0.409 57.852 58.200 0.101 0.000 1.097 134 S CB -1.077 62.176 63.200 0.088 0.000 1.350 134 S HN 0.657 nan 8.310 nan 0.000 0.471 135 N N 0.007 118.751 118.700 0.073 0.000 1.862 135 N HA 0.155 4.897 4.740 0.003 0.000 0.235 135 N C 1.341 176.896 175.510 0.075 0.000 1.398 135 N CA -0.261 52.825 53.050 0.059 0.000 0.779 135 N CB 0.430 38.937 38.487 0.034 0.000 1.086 135 N HN 0.251 nan 8.380 nan 0.000 0.490 136 R N 0.459 121.012 120.500 0.089 0.000 2.254 136 R HA 0.199 4.540 4.340 0.003 0.000 0.193 136 R C 1.732 178.143 176.300 0.185 0.000 0.929 136 R CA 0.203 56.366 56.100 0.105 0.000 1.038 136 R CB 0.428 30.766 30.300 0.063 0.000 1.009 136 R HN -0.056 nan 8.270 nan 0.000 0.512 137 V N 2.032 122.077 119.914 0.219 0.000 2.220 137 V HA -0.346 3.776 4.120 0.003 0.000 0.250 137 V C 2.288 178.595 176.094 0.354 0.000 1.056 137 V CA 2.144 64.659 62.300 0.358 0.000 1.016 137 V CB -0.433 31.558 31.823 0.281 0.000 0.639 137 V HN 0.242 nan 8.190 nan 0.000 0.446 138 I N -0.125 120.556 120.570 0.184 0.000 2.179 138 I HA -0.141 4.030 4.170 0.003 0.000 0.242 138 I C -0.061 176.161 176.117 0.174 0.000 1.088 138 I CA 1.607 62.984 61.300 0.128 0.000 1.357 138 I CB -1.725 36.310 38.000 0.057 0.000 1.051 138 I HN 0.372 nan 8.210 nan 0.000 0.409 139 P HA -0.161 nan 4.420 nan 0.000 0.213 139 P C 1.527 178.933 177.300 0.177 0.000 1.170 139 P CA 1.237 64.419 63.100 0.137 0.000 0.898 139 P CB -0.070 31.694 31.700 0.106 0.000 0.787 140 Q N -1.843 118.093 119.800 0.227 0.000 2.291 140 Q HA -0.129 4.213 4.340 0.003 0.000 0.206 140 Q C 2.011 178.230 176.000 0.366 0.000 0.976 140 Q CA 1.144 57.109 55.803 0.269 0.000 0.875 140 Q CB -0.986 27.908 28.738 0.260 0.000 0.927 140 Q HN 0.327 nan 8.270 nan 0.000 0.450 141 F N 1.633 121.722 119.950 0.231 0.000 2.098 141 F HA -0.123 4.405 4.527 0.003 0.000 0.294 141 F C 2.145 177.967 175.800 0.037 0.000 1.107 141 F CA 1.252 59.224 58.000 -0.047 0.000 1.234 141 F CB 0.150 38.926 39.000 -0.374 0.000 1.002 141 F HN 0.063 nan 8.300 nan 0.000 0.472 142 E N -0.420 119.928 120.200 0.246 0.000 2.049 142 E HA -0.244 4.108 4.350 0.003 0.000 0.198 142 E C 2.069 178.708 176.600 0.065 0.000 1.007 142 E CA 2.131 58.629 56.400 0.164 0.000 0.809 142 E CB -0.577 29.204 29.700 0.136 0.000 0.749 142 E HN 0.385 nan 8.360 nan 0.000 0.450 143 T N 0.582 115.176 114.554 0.066 0.000 2.685 143 T HA -0.174 4.178 4.350 0.003 0.000 0.268 143 T C 2.003 176.681 174.700 -0.036 0.000 1.034 143 T CA 1.925 64.042 62.100 0.028 0.000 1.149 143 T CB -0.421 68.479 68.868 0.054 0.000 0.860 143 T HN 0.198 nan 8.240 nan 0.000 0.449 144 T N 0.257 114.771 114.554 -0.066 0.000 2.942 144 T HA 0.027 4.379 4.350 0.003 0.000 0.265 144 T C 1.413 175.832 174.700 -0.470 0.000 1.062 144 T CA 0.751 62.728 62.100 -0.205 0.000 1.139 144 T CB -0.262 68.520 68.868 -0.143 0.000 0.883 144 T HN 0.432 nan 8.240 nan 0.000 0.468 145 Y N 1.141 121.119 120.300 -0.537 0.000 2.517 145 Y HA 0.149 4.701 4.550 0.002 0.000 0.281 145 Y C 2.596 178.056 175.900 -0.733 0.000 1.125 145 Y CA 0.234 57.873 58.100 -0.769 0.000 1.283 145 Y CB -0.342 37.568 38.460 -0.917 0.000 1.042 145 Y HN 0.106 nan 8.280 nan 0.000 0.547 146 T N -0.701 113.731 114.554 -0.203 0.000 3.113 146 T HA -0.057 4.294 4.350 0.003 0.000 0.256 146 T C 1.528 176.192 174.700 -0.061 0.000 1.131 146 T CA 0.819 62.903 62.100 -0.027 0.000 1.074 146 T CB 0.035 68.925 68.868 0.038 0.000 0.944 146 T HN 0.390 nan 8.240 nan 0.000 0.516 147 E N 0.310 120.416 120.200 -0.157 0.000 2.102 147 E HA 0.090 4.442 4.350 0.003 0.000 0.190 147 E C 1.912 178.428 176.600 -0.139 0.000 0.971 147 E CA 0.230 56.556 56.400 -0.123 0.000 0.821 147 E CB -0.009 29.599 29.700 -0.153 0.000 0.777 147 E HN 0.213 nan 8.360 nan 0.000 0.460 148 L N 0.301 121.352 121.223 -0.286 0.000 1.976 148 L HA -0.156 4.185 4.340 0.003 0.000 0.209 148 L C 1.854 178.701 176.870 -0.038 0.000 1.071 148 L CA 1.692 56.368 54.840 -0.274 0.000 0.746 148 L CB -0.441 41.285 42.059 -0.554 0.000 0.890 148 L HN 0.050 nan 8.230 nan 0.000 0.432 149 F N 0.505 120.497 119.950 0.070 0.000 2.069 149 F HA -0.212 4.317 4.527 0.002 0.000 0.298 149 F C 2.576 178.442 175.800 0.110 0.000 1.113 149 F CA 1.606 59.692 58.000 0.142 0.000 1.214 149 F CB -1.271 37.815 39.000 0.143 0.000 0.978 149 F HN 0.240 nan 8.300 nan 0.000 0.474 150 E N 0.041 120.389 120.200 0.246 0.000 2.026 150 E HA -0.236 4.115 4.350 0.003 0.000 0.206 150 E C 2.609 179.271 176.600 0.103 0.000 1.028 150 E CA 1.572 58.056 56.400 0.140 0.000 0.845 150 E CB -0.861 28.881 29.700 0.069 0.000 0.772 150 E HN 0.375 nan 8.360 nan 0.000 0.462 151 G N 0.486 109.319 108.800 0.054 0.000 2.507 151 G HA2 -0.276 3.685 3.960 0.003 0.000 0.221 151 G HA3 -0.276 3.685 3.960 0.003 0.000 0.221 151 G C 1.513 176.444 174.900 0.052 0.000 1.119 151 G CA 0.986 46.103 45.100 0.030 0.000 0.751 151 G HN 0.197 nan 8.290 nan 0.000 0.574 152 L N -0.366 120.915 121.223 0.097 0.000 2.179 152 L HA 0.071 4.413 4.340 0.003 0.000 0.208 152 L C 2.840 179.764 176.870 0.089 0.000 1.096 152 L CA 0.722 55.626 54.840 0.107 0.000 0.779 152 L CB -0.166 42.002 42.059 0.182 0.000 0.922 152 L HN 0.276 nan 8.230 nan 0.000 0.443 153 E N -0.052 120.222 120.200 0.123 0.000 2.072 153 E HA -0.200 4.151 4.350 0.003 0.000 0.191 153 E C 2.269 178.904 176.600 0.059 0.000 0.985 153 E CA 1.118 57.581 56.400 0.105 0.000 0.801 153 E CB -0.114 29.681 29.700 0.158 0.000 0.750 153 E HN 0.505 nan 8.360 nan 0.000 0.452 154 A N 1.339 124.191 122.820 0.053 0.000 1.897 154 A HA -0.185 4.137 4.320 0.003 0.000 0.215 154 A C 2.048 179.642 177.584 0.018 0.000 1.181 154 A CA 1.456 53.512 52.037 0.032 0.000 0.620 154 A CB -0.280 18.737 19.000 0.028 0.000 0.821 154 A HN 0.111 nan 8.150 nan 0.000 0.443 155 E N -0.291 119.920 120.200 0.018 0.000 2.268 155 E HA -0.117 4.235 4.350 0.003 0.000 0.195 155 E C 1.607 178.203 176.600 -0.006 0.000 0.995 155 E CA 0.879 57.283 56.400 0.006 0.000 0.836 155 E CB -0.335 29.371 29.700 0.010 0.000 0.763 155 E HN 0.472 nan 8.360 nan 0.000 0.491 156 L N 0.113 121.331 121.223 -0.009 0.000 1.993 156 L HA 0.125 4.467 4.340 0.003 0.000 0.206 156 L C 2.234 179.077 176.870 -0.044 0.000 1.074 156 L CA 2.104 56.920 54.840 -0.040 0.000 0.746 156 L CB -1.077 40.952 42.059 -0.051 0.000 0.896 156 L HN 0.118 nan 8.230 nan 0.000 0.435 157 A N -0.667 122.139 122.820 -0.024 0.000 2.024 157 A HA -0.238 4.084 4.320 0.003 0.000 0.220 157 A C 2.244 179.819 177.584 -0.016 0.000 1.164 157 A CA 1.948 53.974 52.037 -0.018 0.000 0.643 157 A CB -0.613 18.388 19.000 0.002 0.000 0.806 157 A HN 0.560 nan 8.150 nan 0.000 0.451 158 K N -0.511 119.882 120.400 -0.012 0.000 2.025 158 K HA -0.071 4.251 4.320 0.003 0.000 0.207 158 K C 0.314 176.904 176.600 -0.016 0.000 1.049 158 K CA 1.411 57.692 56.287 -0.009 0.000 0.933 158 K CB -0.076 32.421 32.500 -0.005 0.000 0.714 158 K HN 0.490 nan 8.250 nan 0.000 0.438 159 N N -1.479 117.207 118.700 -0.024 0.000 2.240 159 N HA 0.115 4.857 4.740 0.003 0.000 0.240 159 N C 0.564 176.047 175.510 -0.045 0.000 1.277 159 N CA 0.711 53.745 53.050 -0.028 0.000 0.873 159 N CB 1.879 40.354 38.487 -0.020 0.000 1.222 159 N HN 0.354 nan 8.380 nan 0.000 0.507 160 G N 1.079 109.839 108.800 -0.066 0.000 2.579 160 G HA2 -0.301 3.661 3.960 0.003 0.000 0.222 160 G HA3 -0.301 3.661 3.960 0.003 0.000 0.222 160 G C 0.034 174.850 174.900 -0.139 0.000 1.201 160 G CA 0.379 45.414 45.100 -0.108 0.000 0.710 160 G HN 0.352 nan 8.290 nan 0.000 0.516 161 K N 0.228 120.574 120.400 -0.091 0.000 2.444 161 K HA 0.886 5.207 4.320 0.003 0.000 0.252 161 K C -0.488 176.089 176.600 -0.038 0.000 0.993 161 K CA 0.226 56.465 56.287 -0.080 0.000 0.847 161 K CB 2.317 34.779 32.500 -0.063 0.000 1.340 161 K HN 1.218 nan 8.250 nan 0.000 0.446 162 A N 0.643 123.453 122.820 -0.017 0.000 2.402 162 A HA 0.746 5.068 4.320 0.003 0.000 0.291 162 A C -1.016 176.598 177.584 0.050 0.000 1.051 162 A CA -0.710 51.336 52.037 0.014 0.000 0.716 162 A CB 1.121 20.134 19.000 0.023 0.000 1.223 162 A HN 0.689 nan 8.150 nan 0.000 0.425 163 A N 1.258 124.107 122.820 0.048 0.000 2.462 163 A HA 0.510 4.832 4.320 0.003 0.000 0.243 163 A C 0.429 178.086 177.584 0.122 0.000 1.076 163 A CA 0.069 52.151 52.037 0.076 0.000 0.773 163 A CB -0.096 18.928 19.000 0.041 0.000 1.010 163 A HN 1.640 nan 8.150 nan 0.000 0.493 164 F N 2.139 122.101 119.950 0.019 0.000 2.315 164 F HA -0.002 4.526 4.527 0.002 0.000 0.284 164 F C 1.886 177.712 175.800 0.043 0.000 1.049 164 F CA 1.165 59.189 58.000 0.040 0.000 1.323 164 F CB -0.281 38.752 39.000 0.056 0.000 1.113 164 F HN 0.702 nan 8.300 nan 0.000 0.544 165 N N 1.339 120.005 118.700 -0.058 0.000 2.096 165 N HA -0.290 4.452 4.740 0.003 0.000 0.198 165 N C 1.449 176.823 175.510 -0.226 0.000 1.017 165 N CA 2.337 55.300 53.050 -0.146 0.000 0.889 165 N CB -1.008 37.486 38.487 0.011 0.000 1.081 165 N HN 0.362 nan 8.380 nan 0.000 0.549 166 D N 0.780 121.106 120.400 -0.123 0.000 2.106 166 D HA -0.114 4.527 4.640 0.003 0.000 0.191 166 D C 2.249 178.467 176.300 -0.135 0.000 0.997 166 D CA 1.152 55.097 54.000 -0.093 0.000 0.834 166 D CB -0.513 40.258 40.800 -0.049 0.000 0.956 166 D HN 0.156 nan 8.370 nan 0.000 0.448 167 V N 1.091 120.900 119.914 -0.176 0.000 2.287 167 V HA -0.162 3.959 4.120 0.003 0.000 0.248 167 V C 2.657 178.583 176.094 -0.280 0.000 1.053 167 V CA 2.060 64.248 62.300 -0.187 0.000 1.027 167 V CB -1.492 30.235 31.823 -0.161 0.000 0.646 167 V HN 0.201 nan 8.190 nan 0.000 0.447 168 G N -0.098 108.392 108.800 -0.517 0.000 2.475 168 G HA2 -0.245 3.717 3.960 0.003 0.000 0.220 168 G HA3 -0.245 3.717 3.960 0.003 0.000 0.220 168 G C 1.467 176.194 174.900 -0.289 0.000 1.125 168 G CA 1.048 45.779 45.100 -0.615 0.000 0.755 168 G HN 0.640 nan 8.290 nan 0.000 0.565 169 E N 0.011 120.090 120.200 -0.202 0.000 2.107 169 E HA -0.099 4.253 4.350 0.003 0.000 0.191 169 E C 2.615 179.320 176.600 0.174 0.000 0.982 169 E CA 0.760 57.152 56.400 -0.013 0.000 0.809 169 E CB -0.140 29.611 29.700 0.084 0.000 0.756 169 E HN 0.526 nan 8.360 nan 0.000 0.459 170 Q N 0.573 120.400 119.800 0.045 0.000 2.124 170 Q HA -0.124 4.218 4.340 0.003 0.000 0.202 170 Q C 2.227 178.247 176.000 0.034 0.000 0.977 170 Q CA 1.386 57.220 55.803 0.051 0.000 0.850 170 Q CB -0.151 28.569 28.738 -0.030 0.000 0.901 170 Q HN 0.229 nan 8.270 nan 0.000 0.429 171 A N 1.085 123.842 122.820 -0.104 0.000 1.873 171 A HA -0.108 4.213 4.320 0.003 0.000 0.215 171 A C 2.318 179.861 177.584 -0.069 0.000 1.186 171 A CA 1.484 53.372 52.037 -0.248 0.000 0.616 171 A CB -0.897 17.734 19.000 -0.614 0.000 0.823 171 A HN 0.394 nan 8.150 nan 0.000 0.442 172 A N -1.221 121.637 122.820 0.063 0.000 1.892 172 A HA -0.162 4.160 4.320 0.003 0.000 0.218 172 A C 2.057 179.871 177.584 0.384 0.000 1.188 172 A CA 1.845 54.041 52.037 0.265 0.000 0.631 172 A CB -0.782 18.278 19.000 0.100 0.000 0.822 172 A HN 0.628 nan 8.150 nan 0.000 0.447 173 F N -0.154 119.954 119.950 0.264 0.000 2.407 173 F HA 0.023 4.551 4.527 0.003 0.000 0.299 173 F C 2.309 178.162 175.800 0.087 0.000 1.097 173 F CA 1.273 59.394 58.000 0.201 0.000 1.422 173 F CB -0.139 38.911 39.000 0.083 0.000 1.067 173 F HN 0.167 nan 8.300 nan 0.000 0.539 174 R N -0.861 119.714 120.500 0.125 0.000 2.062 174 R HA -0.182 4.160 4.340 0.003 0.000 0.229 174 R C 2.325 178.634 176.300 0.015 0.000 1.128 174 R CA 1.722 57.836 56.100 0.023 0.000 0.960 174 R CB -0.697 29.603 30.300 0.000 0.000 0.855 174 R HN 0.350 nan 8.270 nan 0.000 0.432 175 F N 1.212 121.128 119.950 -0.055 0.000 2.171 175 F HA -0.116 4.412 4.527 0.002 0.000 0.300 175 F C 1.583 177.348 175.800 -0.058 0.000 1.090 175 F CA 1.285 59.274 58.000 -0.019 0.000 1.293 175 F CB -0.272 38.777 39.000 0.082 0.000 1.013 175 F HN -0.026 nan 8.300 nan 0.000 0.486 176 L N 0.027 120.966 121.223 -0.473 0.000 2.027 176 L HA -0.098 4.244 4.340 0.003 0.000 0.206 176 L C 2.847 179.384 176.870 -0.554 0.000 1.074 176 L CA 1.415 55.811 54.840 -0.740 0.000 0.745 176 L CB -1.686 40.150 42.059 -0.372 0.000 0.898 176 L HN 0.341 nan 8.230 nan 0.000 0.433 177 G N -0.374 108.234 108.800 -0.319 0.000 2.446 177 G HA2 -0.287 3.674 3.960 0.003 0.000 0.217 177 G HA3 -0.287 3.674 3.960 0.003 0.000 0.217 177 G C 1.689 176.573 174.900 -0.026 0.000 1.168 177 G CA 0.719 45.818 45.100 -0.002 0.000 0.771 177 G HN 0.197 nan 8.290 nan 0.000 0.551 178 R N 0.418 120.863 120.500 -0.092 0.000 2.115 178 R HA -0.114 4.228 4.340 0.003 0.000 0.239 178 R C 3.013 179.253 176.300 -0.100 0.000 1.133 178 R CA 2.036 58.107 56.100 -0.049 0.000 0.935 178 R CB -0.468 29.830 30.300 -0.004 0.000 0.853 178 R HN 0.367 nan 8.270 nan 0.000 0.433 179 A N -0.610 122.047 122.820 -0.271 0.000 1.840 179 A HA -0.136 4.186 4.320 0.003 0.000 0.214 179 A C 1.993 179.429 177.584 -0.248 0.000 1.198 179 A CA 1.181 53.066 52.037 -0.253 0.000 0.608 179 A CB -0.865 17.893 19.000 -0.404 0.000 0.839 179 A HN 0.351 nan 8.150 nan 0.000 0.443 180 Y N -0.988 118.982 120.300 -0.551 0.000 2.165 180 Y HA -0.151 4.401 4.550 0.003 0.000 0.286 180 Y C 1.422 176.743 175.900 -0.965 0.000 1.155 180 Y CA 1.111 58.647 58.100 -0.940 0.000 1.164 180 Y CB -0.641 36.876 38.460 -1.572 0.000 0.978 180 Y HN 0.374 nan 8.280 nan 0.000 0.513 181 F N -1.522 118.480 119.950 0.087 0.000 2.772 181 F HA 0.248 4.777 4.527 0.002 0.000 0.316 181 F C 0.780 176.574 175.800 -0.009 0.000 1.114 181 F CA -0.633 57.377 58.000 0.016 0.000 1.191 181 F CB -0.917 38.066 39.000 -0.029 0.000 1.065 181 F HN -0.027 nan 8.300 nan 0.000 0.534 182 N N 1.321 120.070 118.700 0.081 0.000 2.727 182 N HA -0.234 4.508 4.740 0.003 0.000 0.249 182 N C -0.428 175.128 175.510 0.078 0.000 1.048 182 N CA 0.556 53.643 53.050 0.062 0.000 0.714 182 N CB -0.535 37.987 38.487 0.057 0.000 0.959 182 N HN 0.261 nan 8.380 nan 0.000 0.544 183 S N 0.295 116.058 115.700 0.105 0.000 2.538 183 S HA 0.393 4.865 4.470 0.003 0.000 0.288 183 S C -0.956 173.716 174.600 0.121 0.000 1.108 183 S CA -0.811 57.459 58.200 0.117 0.000 0.971 183 S CB 1.500 64.783 63.200 0.138 0.000 1.041 183 S HN 0.369 nan 8.310 nan 0.000 0.483 184 N N 4.707 123.463 118.700 0.094 0.000 2.527 184 N HA 0.392 5.134 4.740 0.003 0.000 0.236 184 N C -1.474 174.078 175.510 0.070 0.000 0.999 184 N CA -2.320 50.765 53.050 0.059 0.000 0.935 184 N CB 1.509 40.015 38.487 0.031 0.000 1.132 184 N HN 0.394 nan 8.380 nan 0.000 0.511 185 P HA -0.131 nan 4.420 nan 0.000 0.219 185 P C 0.121 177.356 177.300 -0.109 0.000 1.146 185 P CA 1.207 64.216 63.100 -0.152 0.000 0.808 185 P CB 0.403 31.836 31.700 -0.445 0.000 0.779 186 E N 0.052 120.222 120.200 -0.049 0.000 2.516 186 E HA -0.081 4.271 4.350 0.003 0.000 0.199 186 E C 1.064 177.647 176.600 -0.027 0.000 1.069 186 E CA 0.385 56.759 56.400 -0.044 0.000 0.876 186 E CB -0.213 29.469 29.700 -0.031 0.000 0.843 186 E HN 0.521 nan 8.360 nan 0.000 0.530 187 E N 0.466 120.661 120.200 -0.008 0.000 2.498 187 E HA 0.010 4.361 4.350 0.003 0.000 0.203 187 E C 0.526 177.132 176.600 0.010 0.000 1.013 187 E CA 0.046 56.448 56.400 0.003 0.000 0.927 187 E CB 0.780 30.490 29.700 0.016 0.000 1.012 187 E HN 0.147 nan 8.360 nan 0.000 0.482 188 T N -2.825 111.732 114.554 0.005 0.000 2.870 188 T HA 0.282 4.634 4.350 0.003 0.000 0.277 188 T C 1.024 175.711 174.700 -0.022 0.000 1.000 188 T CA -0.735 61.375 62.100 0.015 0.000 0.982 188 T CB 1.449 70.365 68.868 0.080 0.000 1.249 188 T HN -0.229 nan 8.240 nan 0.000 0.589 189 K N -0.326 120.062 120.400 -0.020 0.000 2.152 189 K HA -0.042 4.280 4.320 0.003 0.000 0.206 189 K C 2.035 178.595 176.600 -0.066 0.000 1.048 189 K CA 1.092 57.357 56.287 -0.036 0.000 0.933 189 K CB -0.702 31.782 32.500 -0.027 0.000 0.721 189 K HN 0.332 nan 8.250 nan 0.000 0.447 190 L N 0.532 121.692 121.223 -0.105 0.000 2.197 190 L HA -0.189 4.152 4.340 0.003 0.000 0.215 190 L C 1.453 178.243 176.870 -0.133 0.000 1.095 190 L CA 1.737 56.483 54.840 -0.158 0.000 0.764 190 L CB -1.393 40.499 42.059 -0.279 0.000 0.897 190 L HN 0.436 nan 8.230 nan 0.000 0.436 191 G N -0.677 108.063 108.800 -0.101 0.000 2.598 191 G HA2 -0.394 3.567 3.960 0.003 0.000 0.269 191 G HA3 -0.394 3.567 3.960 0.003 0.000 0.269 191 G C 0.658 175.505 174.900 -0.087 0.000 1.289 191 G CA 0.497 45.550 45.100 -0.078 0.000 0.926 191 G HN 0.423 nan 8.290 nan 0.000 0.567 192 T N -2.364 112.147 114.554 -0.071 0.000 3.324 192 T HA 0.453 4.804 4.350 0.003 0.000 0.250 192 T C 1.206 175.852 174.700 -0.090 0.000 1.059 192 T CA 1.045 63.104 62.100 -0.068 0.000 0.951 192 T CB -0.302 68.535 68.868 -0.052 0.000 1.030 192 T HN 1.763 nan 8.240 nan 0.000 0.576 193 S N -0.309 115.320 115.700 -0.118 0.000 2.694 193 S HA 0.746 5.217 4.470 0.003 0.000 0.211 193 S C 1.137 175.604 174.600 -0.222 0.000 1.328 193 S CA -0.388 57.730 58.200 -0.136 0.000 1.236 193 S CB 0.505 63.645 63.200 -0.100 0.000 1.121 193 S HN 0.484 nan 8.310 nan 0.000 0.517 194 A N 2.493 125.114 122.820 -0.332 0.000 1.944 194 A HA 0.440 4.761 4.320 0.003 0.000 0.207 194 A C -0.644 176.563 177.584 -0.629 0.000 1.265 194 A CA -0.013 51.654 52.037 -0.617 0.000 0.712 194 A CB -1.253 17.081 19.000 -1.109 0.000 0.915 194 A HN 0.547 nan 8.150 nan 0.000 0.470 195 P HA -0.148 nan 4.420 nan 0.000 0.217 195 P C 1.288 178.508 177.300 -0.134 0.000 1.151 195 P CA 2.103 65.041 63.100 -0.269 0.000 0.849 195 P CB -0.146 31.599 31.700 0.075 0.000 0.787 196 T N -0.856 113.626 114.554 -0.119 0.000 2.812 196 T HA -0.034 4.318 4.350 0.003 0.000 0.264 196 T C 1.771 176.443 174.700 -0.047 0.000 1.042 196 T CA 0.894 62.964 62.100 -0.050 0.000 1.140 196 T CB -0.886 67.956 68.868 -0.043 0.000 0.870 196 T HN 0.058 nan 8.240 nan 0.000 0.445 197 L N 0.487 121.642 121.223 -0.113 0.000 2.012 197 L HA -0.083 4.258 4.340 0.003 0.000 0.210 197 L C 2.527 179.407 176.870 0.017 0.000 1.073 197 L CA 1.421 56.219 54.840 -0.071 0.000 0.748 197 L CB -0.686 41.279 42.059 -0.157 0.000 0.891 197 L HN 0.250 nan 8.230 nan 0.000 0.431 198 I N -0.844 119.671 120.570 -0.091 0.000 2.226 198 I HA -0.276 3.896 4.170 0.003 0.000 0.245 198 I C 2.624 178.851 176.117 0.183 0.000 1.100 198 I CA 1.111 62.439 61.300 0.046 0.000 1.374 198 I CB -0.274 37.523 38.000 -0.339 0.000 1.057 198 I HN 0.189 nan 8.210 nan 0.000 0.413 199 S N 0.029 115.791 115.700 0.104 0.000 2.343 199 S HA -0.216 4.256 4.470 0.003 0.000 0.219 199 S C 2.185 176.878 174.600 0.154 0.000 1.033 199 S CA 1.720 59.994 58.200 0.124 0.000 1.014 199 S CB -0.424 62.837 63.200 0.102 0.000 0.915 199 S HN 0.422 nan 8.310 nan 0.000 0.435 200 S N 0.013 115.809 115.700 0.160 0.000 2.389 200 S HA -0.225 4.247 4.470 0.003 0.000 0.231 200 S C 1.469 176.251 174.600 0.303 0.000 1.052 200 S CA 1.925 60.251 58.200 0.209 0.000 1.053 200 S CB -0.470 62.815 63.200 0.143 0.000 0.886 200 S HN 0.723 nan 8.310 nan 0.000 0.456 201 W N 1.345 122.712 121.300 0.112 0.000 2.409 201 W HA 0.038 4.699 4.660 0.003 0.000 0.299 201 W C 2.012 178.685 176.519 0.256 0.000 1.203 201 W CA 0.966 58.403 57.345 0.154 0.000 1.298 201 W CB -0.754 28.815 29.460 0.181 0.000 1.127 201 W HN 0.078 nan 8.180 nan 0.000 0.528 202 V N 1.446 121.317 119.914 -0.072 0.000 2.427 202 V HA -0.264 3.857 4.120 0.003 0.000 0.248 202 V C 2.293 178.341 176.094 -0.076 0.000 1.051 202 V CA 1.717 63.831 62.300 -0.310 0.000 1.048 202 V CB -1.176 30.466 31.823 -0.300 0.000 0.666 202 V HN 0.267 nan 8.190 nan 0.000 0.456 203 L N -0.223 121.038 121.223 0.064 0.000 2.012 203 L HA -0.162 4.179 4.340 0.003 0.000 0.210 203 L C 2.178 179.114 176.870 0.110 0.000 1.073 203 L CA 2.136 57.035 54.840 0.098 0.000 0.748 203 L CB -1.002 41.136 42.059 0.133 0.000 0.891 203 L HN 0.247 nan 8.230 nan 0.000 0.431 204 F N 0.509 120.447 119.950 -0.021 0.000 2.091 204 F HA -0.270 4.259 4.527 0.003 0.000 0.299 204 F C 2.558 178.366 175.800 0.013 0.000 1.103 204 F CA 1.915 59.912 58.000 -0.005 0.000 1.228 204 F CB -0.905 38.099 39.000 0.008 0.000 0.984 204 F HN 0.286 nan 8.300 nan 0.000 0.477 205 N N 0.327 119.111 118.700 0.140 0.000 2.028 205 N HA -0.134 4.608 4.740 0.003 0.000 0.194 205 N C 1.909 177.587 175.510 0.280 0.000 1.050 205 N CA 1.490 54.649 53.050 0.180 0.000 0.848 205 N CB -0.678 37.898 38.487 0.149 0.000 1.038 205 N HN 0.251 nan 8.380 nan 0.000 0.423 206 L N 0.971 122.339 121.223 0.243 0.000 2.554 206 L HA 0.131 4.472 4.340 0.003 0.000 0.226 206 L C 2.307 179.294 176.870 0.194 0.000 1.137 206 L CA -0.087 54.927 54.840 0.290 0.000 0.863 206 L CB -0.363 41.830 42.059 0.225 0.000 0.985 206 L HN 0.061 nan 8.230 nan 0.000 0.451 207 A N 1.597 124.477 122.820 0.101 0.000 1.944 207 A HA -0.225 4.097 4.320 0.003 0.000 0.222 207 A C -0.093 177.526 177.584 0.058 0.000 1.237 207 A CA 2.271 54.331 52.037 0.038 0.000 0.668 207 A CB -1.896 17.067 19.000 -0.060 0.000 0.830 207 A HN 0.301 nan 8.150 nan 0.000 0.471 208 P HA -0.073 nan 4.420 nan 0.000 0.221 208 P C 1.029 178.165 177.300 -0.272 0.000 1.145 208 P CA 1.922 64.893 63.100 -0.215 0.000 0.795 208 P CB -0.112 31.218 31.700 -0.618 0.000 0.775 209 T N -5.338 109.198 114.554 -0.030 0.000 3.200 209 T HA 0.318 4.670 4.350 0.003 0.000 0.284 209 T C 0.192 175.049 174.700 0.263 0.000 1.009 209 T CA -0.247 61.933 62.100 0.132 0.000 0.907 209 T CB -0.565 68.444 68.868 0.234 0.000 1.120 209 T HN -0.102 nan 8.240 nan 0.000 0.534 210 L N 2.010 123.327 121.223 0.157 0.000 2.295 210 L HA 0.566 4.908 4.340 0.003 0.000 0.285 210 L C -0.486 176.453 176.870 0.115 0.000 1.035 210 L CA -0.849 54.100 54.840 0.183 0.000 0.806 210 L CB 1.362 43.500 42.059 0.132 0.000 1.214 210 L HN 0.139 nan 8.230 nan 0.000 0.426 211 D N 3.631 124.120 120.400 0.148 0.000 2.329 211 D HA 0.257 4.899 4.640 0.003 0.000 0.232 211 D C 0.342 176.676 176.300 0.057 0.000 1.088 211 D CA -0.221 53.808 54.000 0.047 0.000 0.835 211 D CB 1.592 42.509 40.800 0.195 0.000 1.078 211 D HN 0.383 nan 8.370 nan 0.000 0.495 212 L N 2.762 123.989 121.223 0.006 0.000 2.607 212 L HA 0.269 4.610 4.340 0.003 0.000 0.228 212 L C 1.536 178.419 176.870 0.023 0.000 1.123 212 L CA 0.126 54.975 54.840 0.015 0.000 0.890 212 L CB 0.078 42.128 42.059 -0.016 0.000 1.103 212 L HN 0.721 nan 8.230 nan 0.000 0.468 213 G N 0.927 109.753 108.800 0.043 0.000 2.147 213 G HA2 -0.265 3.697 3.960 0.003 0.000 0.244 213 G HA3 -0.265 3.697 3.960 0.003 0.000 0.244 213 G C 0.074 174.992 174.900 0.029 0.000 1.005 213 G CA -0.018 45.118 45.100 0.060 0.000 0.713 213 G HN 0.236 nan 8.290 nan 0.000 0.515 214 L N 0.014 121.236 121.223 -0.001 0.000 2.375 214 L HA 0.463 4.805 4.340 0.003 0.000 0.268 214 L C -1.637 175.143 176.870 -0.151 0.000 1.058 214 L CA -2.435 52.359 54.840 -0.076 0.000 0.803 214 L CB 1.110 43.107 42.059 -0.104 0.000 1.212 214 L HN -0.138 nan 8.230 nan 0.000 0.451 215 P HA -0.148 nan 4.420 nan 0.000 0.264 215 P C 0.395 177.203 177.300 -0.819 0.000 1.179 215 P CA 0.080 62.718 63.100 -0.770 0.000 0.763 215 P CB 0.240 31.152 31.700 -1.313 0.000 0.806 216 W N 4.098 124.764 121.300 -1.056 0.000 2.392 216 W HA -0.161 4.500 4.660 0.003 0.000 0.279 216 W C 0.705 176.937 176.519 -0.478 0.000 1.225 216 W CA 0.723 57.432 57.345 -1.060 0.000 1.233 216 W CB -1.433 27.132 29.460 -1.492 0.000 1.122 216 W HN 0.283 nan 8.180 nan 0.000 0.561 217 F N -0.091 119.160 119.950 -1.166 0.000 2.769 217 F HA 0.342 4.871 4.527 0.003 0.000 0.304 217 F C 1.491 177.012 175.800 -0.464 0.000 1.158 217 F CA -0.391 56.999 58.000 -1.016 0.000 1.398 217 F CB -1.283 36.922 39.000 -1.325 0.000 1.094 217 F HN -0.126 nan 8.300 nan 0.000 0.553 218 L N -1.042 120.034 121.223 -0.244 0.000 2.641 218 L HA 0.116 4.457 4.340 0.003 0.000 0.207 218 L C 2.309 179.090 176.870 -0.149 0.000 1.049 218 L CA 0.256 55.031 54.840 -0.108 0.000 0.866 218 L CB -0.282 41.700 42.059 -0.128 0.000 1.264 218 L HN 0.029 nan 8.230 nan 0.000 0.483 219 Q N 0.260 119.927 119.800 -0.222 0.000 2.079 219 Q HA -0.175 4.167 4.340 0.003 0.000 0.200 219 Q C 1.876 177.672 176.000 -0.340 0.000 0.974 219 Q CA 1.168 56.766 55.803 -0.342 0.000 0.840 219 Q CB 0.187 28.696 28.738 -0.381 0.000 0.898 219 Q HN 0.326 nan 8.270 nan 0.000 0.430 220 E N 0.021 120.174 120.200 -0.079 0.000 2.031 220 E HA -0.135 4.216 4.350 0.003 0.000 0.193 220 E C -0.658 175.981 176.600 0.065 0.000 0.994 220 E CA 1.309 57.754 56.400 0.076 0.000 0.800 220 E CB -1.384 28.476 29.700 0.267 0.000 0.752 220 E HN 0.401 nan 8.360 nan 0.000 0.447 221 P HA -0.060 nan 4.420 nan 0.000 0.215 221 P C 1.848 179.216 177.300 0.113 0.000 1.157 221 P CA 1.062 64.233 63.100 0.119 0.000 0.856 221 P CB -0.013 31.748 31.700 0.102 0.000 0.786 222 L N -1.341 119.896 121.223 0.023 0.000 2.072 222 L HA -0.038 4.303 4.340 0.003 0.000 0.205 222 L C 2.665 179.513 176.870 -0.037 0.000 1.079 222 L CA 1.283 56.120 54.840 -0.005 0.000 0.752 222 L CB -0.628 41.400 42.059 -0.051 0.000 0.906 222 L HN -0.122 nan 8.230 nan 0.000 0.436 223 L N -2.454 118.701 121.223 -0.114 0.000 2.609 223 L HA 0.083 4.424 4.340 0.003 0.000 0.230 223 L C 1.588 178.494 176.870 0.062 0.000 1.064 223 L CA 0.177 54.954 54.840 -0.105 0.000 0.873 223 L CB 0.005 41.929 42.059 -0.226 0.000 1.139 223 L HN 0.259 nan 8.230 nan 0.000 0.490 224 H N -1.385 117.628 119.070 -0.095 0.000 2.594 224 H HA 0.167 4.725 4.556 0.003 0.000 0.279 224 H C 1.104 176.347 175.328 -0.142 0.000 1.042 224 H CA 0.125 56.098 56.048 -0.124 0.000 1.177 224 H CB 0.899 30.590 29.762 -0.117 0.000 1.524 224 H HN 0.105 nan 8.280 nan 0.000 0.537 225 T N -0.353 114.182 114.554 -0.031 0.000 2.978 225 T HA 0.128 4.480 4.350 0.003 0.000 0.248 225 T C -0.209 174.177 174.700 -0.523 0.000 1.018 225 T CA 0.361 62.288 62.100 -0.288 0.000 1.026 225 T CB 0.491 69.163 68.868 -0.326 0.000 1.032 225 T HN -0.024 nan 8.240 nan 0.000 0.485 226 F N 0.600 120.609 119.950 0.098 0.000 2.664 226 F HA 0.611 5.140 4.527 0.003 0.000 0.329 226 F C 0.052 175.851 175.800 -0.002 0.000 1.090 226 F CA -1.500 56.544 58.000 0.072 0.000 0.978 226 F CB 1.287 40.319 39.000 0.054 0.000 1.378 226 F HN -0.428 nan 8.300 nan 0.000 0.495 227 R N 0.708 121.341 120.500 0.222 0.000 2.404 227 R HA 0.585 4.926 4.340 0.003 0.000 0.291 227 R C -1.133 175.194 176.300 0.046 0.000 1.025 227 R CA -0.778 55.375 56.100 0.088 0.000 0.991 227 R CB 0.880 31.239 30.300 0.098 0.000 1.053 227 R HN 0.449 nan 8.270 nan 0.000 0.479 228 L N 3.913 125.098 121.223 -0.064 0.000 2.416 228 L HA 0.211 4.552 4.340 0.003 0.000 0.272 228 L C -1.866 175.000 176.870 -0.006 0.000 1.161 228 L CA -1.855 52.870 54.840 -0.190 0.000 0.845 228 L CB 0.471 42.099 42.059 -0.718 0.000 1.119 228 L HN 0.282 nan 8.230 nan 0.000 0.464 229 P HA -0.049 nan 4.420 nan 0.000 0.258 229 P C 0.198 177.535 177.300 0.062 0.000 1.187 229 P CA 0.187 63.281 63.100 -0.009 0.000 0.767 229 P CB 0.965 32.522 31.700 -0.238 0.000 0.770 230 A N 5.075 127.985 122.820 0.150 0.000 1.940 230 A HA -0.227 4.095 4.320 0.003 0.000 0.219 230 A C 1.749 179.352 177.584 0.031 0.000 1.176 230 A CA 1.701 53.827 52.037 0.148 0.000 0.631 230 A CB -1.593 17.488 19.000 0.136 0.000 0.814 230 A HN 0.657 nan 8.150 nan 0.000 0.446 231 F N 0.183 120.184 119.950 0.085 0.000 2.236 231 F HA -0.166 4.362 4.527 0.003 0.000 0.302 231 F C 1.551 177.370 175.800 0.032 0.000 1.073 231 F CA 1.335 59.362 58.000 0.044 0.000 1.336 231 F CB -0.830 38.195 39.000 0.041 0.000 1.040 231 F HN 0.141 nan 8.300 nan 0.000 0.507 232 L N -0.183 120.671 121.223 -0.614 0.000 2.027 232 L HA -0.171 4.170 4.340 0.003 0.000 0.206 232 L C 2.677 179.365 176.870 -0.304 0.000 1.074 232 L CA 0.776 55.386 54.840 -0.384 0.000 0.745 232 L CB -0.646 41.266 42.059 -0.245 0.000 0.898 232 L HN 0.222 nan 8.230 nan 0.000 0.433 233 I N 0.046 120.247 120.570 -0.614 0.000 2.617 233 I HA -0.194 3.977 4.170 0.003 0.000 0.256 233 I C 2.344 178.372 176.117 -0.148 0.000 1.167 233 I CA 0.987 61.925 61.300 -0.602 0.000 1.469 233 I CB -0.514 36.899 38.000 -0.978 0.000 1.098 233 I HN 0.165 nan 8.210 nan 0.000 0.436 234 K N 0.917 121.283 120.400 -0.056 0.000 2.108 234 K HA -0.292 4.030 4.320 0.003 0.000 0.219 234 K C 2.376 179.035 176.600 0.098 0.000 1.054 234 K CA 2.344 58.672 56.287 0.069 0.000 0.945 234 K CB -0.835 31.724 32.500 0.098 0.000 0.728 234 K HN 0.250 nan 8.250 nan 0.000 0.462 235 S N -1.231 114.504 115.700 0.059 0.000 2.353 235 S HA -0.167 4.305 4.470 0.003 0.000 0.222 235 S C 1.841 176.467 174.600 0.044 0.000 1.035 235 S CA 2.175 60.405 58.200 0.051 0.000 1.025 235 S CB -0.641 62.581 63.200 0.038 0.000 0.902 235 S HN 0.561 nan 8.310 nan 0.000 0.440 236 T N 0.297 114.870 114.554 0.031 0.000 2.788 236 T HA -0.103 4.248 4.350 0.003 0.000 0.268 236 T C 1.484 176.204 174.700 0.034 0.000 1.044 236 T CA 1.567 63.680 62.100 0.022 0.000 1.139 236 T CB -0.576 68.306 68.868 0.023 0.000 0.867 236 T HN 0.605 nan 8.240 nan 0.000 0.454 237 Y N 2.654 122.920 120.300 -0.057 0.000 2.274 237 Y HA -0.123 4.429 4.550 0.003 0.000 0.290 237 Y C 2.119 178.006 175.900 -0.022 0.000 1.145 237 Y CA 0.995 59.026 58.100 -0.115 0.000 1.203 237 Y CB -0.394 38.015 38.460 -0.086 0.000 0.984 237 Y HN 0.137 nan 8.280 nan 0.000 0.533 238 N N 0.362 119.085 118.700 0.037 0.000 2.331 238 N HA -0.123 4.618 4.740 0.003 0.000 0.180 238 N C 1.530 177.041 175.510 0.000 0.000 1.019 238 N CA 1.285 54.346 53.050 0.018 0.000 0.881 238 N CB -0.201 38.318 38.487 0.053 0.000 0.972 238 N HN 0.480 nan 8.380 nan 0.000 0.435 239 K N 0.748 121.129 120.400 -0.032 0.000 2.097 239 K HA -0.031 4.290 4.320 0.003 0.000 0.206 239 K C 1.953 178.502 176.600 -0.085 0.000 1.049 239 K CA 0.787 57.044 56.287 -0.050 0.000 0.933 239 K CB -0.097 32.366 32.500 -0.062 0.000 0.717 239 K HN 0.168 nan 8.250 nan 0.000 0.442 240 L N -0.548 120.597 121.223 -0.130 0.000 2.162 240 L HA -0.091 4.251 4.340 0.003 0.000 0.205 240 L C 2.448 179.288 176.870 -0.049 0.000 1.086 240 L CA 0.658 55.423 54.840 -0.125 0.000 0.778 240 L CB -0.334 41.641 42.059 -0.140 0.000 0.928 240 L HN 0.108 nan 8.230 nan 0.000 0.446 241 Y N 1.303 121.445 120.300 -0.263 0.000 2.181 241 Y HA -0.290 4.262 4.550 0.003 0.000 0.288 241 Y C 2.314 178.136 175.900 -0.130 0.000 1.146 241 Y CA 1.704 59.668 58.100 -0.226 0.000 1.164 241 Y CB -0.080 38.190 38.460 -0.318 0.000 0.982 241 Y HN 0.233 nan 8.280 nan 0.000 0.515 242 D N -0.835 119.576 120.400 0.018 0.000 2.104 242 D HA -0.256 4.386 4.640 0.003 0.000 0.194 242 D C 1.880 178.083 176.300 -0.161 0.000 0.994 242 D CA 1.713 55.690 54.000 -0.039 0.000 0.830 242 D CB -0.844 39.959 40.800 0.006 0.000 0.959 242 D HN 0.436 nan 8.370 nan 0.000 0.452 243 Y N 0.970 121.080 120.300 -0.316 0.000 2.070 243 Y HA -0.278 4.274 4.550 0.002 0.000 0.280 243 Y C 2.217 177.783 175.900 -0.557 0.000 1.148 243 Y CA 1.542 59.372 58.100 -0.450 0.000 1.125 243 Y CB -0.760 37.344 38.460 -0.593 0.000 0.975 243 Y HN -0.164 nan 8.280 nan 0.000 0.492 244 F N 0.763 120.463 119.950 -0.417 0.000 2.171 244 F HA -0.240 4.289 4.527 0.003 0.000 0.300 244 F C 2.777 178.168 175.800 -0.682 0.000 1.090 244 F CA 1.887 59.499 58.000 -0.646 0.000 1.293 244 F CB -1.124 37.594 39.000 -0.469 0.000 1.013 244 F HN 0.219 nan 8.300 nan 0.000 0.486 245 Q N 0.550 120.050 119.800 -0.500 0.000 2.124 245 Q HA -0.197 4.144 4.340 0.003 0.000 0.202 245 Q C 1.887 177.679 176.000 -0.348 0.000 0.977 245 Q CA 2.028 57.549 55.803 -0.470 0.000 0.850 245 Q CB -0.243 28.204 28.738 -0.486 0.000 0.901 245 Q HN 0.455 nan 8.270 nan 0.000 0.429 246 S N -0.960 114.524 115.700 -0.360 0.000 2.577 246 S HA 0.095 4.567 4.470 0.003 0.000 0.219 246 S C 1.263 175.657 174.600 -0.344 0.000 0.962 246 S CA 0.256 58.282 58.200 -0.289 0.000 0.921 246 S CB 0.793 63.861 63.200 -0.219 0.000 0.789 246 S HN 0.334 nan 8.310 nan 0.000 0.497 247 V N -3.458 116.154 119.914 -0.503 0.000 3.480 247 V HA 0.656 4.777 4.120 0.003 0.000 0.263 247 V C 1.502 177.306 176.094 -0.484 0.000 1.442 247 V CA 0.287 62.282 62.300 -0.508 0.000 1.053 247 V CB -0.327 31.022 31.823 -0.790 0.000 0.846 247 V HN 0.382 nan 8.190 nan 0.000 0.440 248 A N 0.975 123.433 122.820 -0.603 0.000 2.476 248 A HA 0.311 4.632 4.320 0.003 0.000 0.263 248 A C 1.664 179.162 177.584 -0.143 0.000 1.342 248 A CA 0.804 52.577 52.037 -0.440 0.000 0.926 248 A CB -1.124 17.560 19.000 -0.526 0.000 1.019 248 A HN 0.481 nan 8.150 nan 0.000 0.515 249 T N 2.344 116.826 114.554 -0.119 0.000 2.544 249 T HA -0.160 4.192 4.350 0.003 0.000 0.264 249 T C -0.073 174.629 174.700 0.004 0.000 1.096 249 T CA 2.136 64.199 62.100 -0.062 0.000 1.181 249 T CB -1.226 67.612 68.868 -0.050 0.000 0.864 249 T HN 0.528 nan 8.240 nan 0.000 0.415 250 P HA -0.101 nan 4.420 nan 0.000 0.217 250 P C 1.657 179.054 177.300 0.163 0.000 1.162 250 P CA 1.293 64.478 63.100 0.143 0.000 0.901 250 P CB -0.396 31.434 31.700 0.217 0.000 0.793 251 V N -0.407 119.638 119.914 0.218 0.000 2.407 251 V HA -0.201 3.921 4.120 0.003 0.000 0.248 251 V C 2.815 178.909 176.094 0.001 0.000 1.055 251 V CA 1.896 64.310 62.300 0.190 0.000 1.049 251 V CB -1.276 30.685 31.823 0.230 0.000 0.662 251 V HN 0.026 nan 8.190 nan 0.000 0.455 252 M N -0.609 118.974 119.600 -0.030 0.000 2.374 252 M HA -0.133 4.349 4.480 0.003 0.000 0.264 252 M C 2.035 178.282 176.300 -0.087 0.000 1.067 252 M CA 1.514 56.766 55.300 -0.079 0.000 1.103 252 M CB -0.290 32.251 32.600 -0.099 0.000 1.402 252 M HN 0.422 nan 8.290 nan 0.000 0.444 253 E N -0.325 119.822 120.200 -0.088 0.000 2.102 253 E HA -0.177 4.174 4.350 0.003 0.000 0.190 253 E C 1.940 178.438 176.600 -0.169 0.000 0.971 253 E CA 0.655 56.992 56.400 -0.105 0.000 0.821 253 E CB -0.074 29.578 29.700 -0.080 0.000 0.777 253 E HN 0.364 nan 8.360 nan 0.000 0.460 254 Q N 1.441 121.074 119.800 -0.279 0.000 2.181 254 Q HA -0.152 4.190 4.340 0.003 0.000 0.205 254 Q C 1.935 177.781 176.000 -0.258 0.000 0.980 254 Q CA 1.737 57.284 55.803 -0.427 0.000 0.862 254 Q CB -0.264 27.938 28.738 -0.893 0.000 0.905 254 Q HN 0.246 nan 8.270 nan 0.000 0.429 255 A N 0.398 123.107 122.820 -0.186 0.000 1.940 255 A HA -0.241 4.081 4.320 0.003 0.000 0.219 255 A C 1.892 179.408 177.584 -0.113 0.000 1.176 255 A CA 1.734 53.690 52.037 -0.135 0.000 0.631 255 A CB -0.554 18.377 19.000 -0.115 0.000 0.814 255 A HN 0.590 nan 8.150 nan 0.000 0.446 256 E N -0.152 119.985 120.200 -0.106 0.000 2.072 256 E HA -0.164 4.187 4.350 0.003 0.000 0.191 256 E C 1.931 178.482 176.600 -0.081 0.000 0.985 256 E CA 1.207 57.560 56.400 -0.080 0.000 0.801 256 E CB -0.201 29.458 29.700 -0.068 0.000 0.750 256 E HN 0.583 nan 8.360 nan 0.000 0.452 257 K N 0.569 120.906 120.400 -0.105 0.000 2.281 257 K HA -0.086 4.236 4.320 0.003 0.000 0.203 257 K C 1.883 178.432 176.600 -0.086 0.000 1.046 257 K CA 0.741 56.969 56.287 -0.098 0.000 0.938 257 K CB 0.028 32.447 32.500 -0.134 0.000 0.737 257 K HN 0.144 nan 8.250 nan 0.000 0.458 258 L N -0.908 120.258 121.223 -0.095 0.000 2.529 258 L HA 0.124 4.466 4.340 0.003 0.000 0.223 258 L C 0.988 177.823 176.870 -0.058 0.000 1.113 258 L CA 0.313 55.108 54.840 -0.075 0.000 0.861 258 L CB 0.277 42.283 42.059 -0.088 0.000 1.012 258 L HN 0.414 nan 8.230 nan 0.000 0.461 259 G N 0.615 109.381 108.800 -0.057 0.000 2.131 259 G HA2 -0.198 3.763 3.960 0.003 0.000 0.201 259 G HA3 -0.198 3.763 3.960 0.003 0.000 0.201 259 G C -0.152 174.720 174.900 -0.046 0.000 1.000 259 G CA -0.155 44.920 45.100 -0.042 0.000 0.680 259 G HN 0.070 nan 8.290 nan 0.000 0.514 260 V N 0.720 120.596 119.914 -0.064 0.000 2.448 260 V HA 0.535 4.657 4.120 0.003 0.000 0.295 260 V C -1.840 174.210 176.094 -0.074 0.000 1.025 260 V CA -1.939 60.314 62.300 -0.077 0.000 0.859 260 V CB 2.067 33.828 31.823 -0.103 0.000 0.988 260 V HN 0.087 nan 8.190 nan 0.000 0.431 261 P HA 0.194 nan 4.420 nan 0.000 0.269 261 P C 0.674 177.940 177.300 -0.056 0.000 1.209 261 P CA -0.172 62.904 63.100 -0.040 0.000 0.776 261 P CB 0.792 32.492 31.700 -0.000 0.000 0.876 262 K N 1.334 121.714 120.400 -0.033 0.000 2.032 262 K HA -0.243 4.078 4.320 0.003 0.000 0.209 262 K C 1.534 178.119 176.600 -0.024 0.000 1.048 262 K CA 2.136 58.398 56.287 -0.042 0.000 0.927 262 K CB -0.408 32.073 32.500 -0.030 0.000 0.712 262 K HN 0.553 nan 8.250 nan 0.000 0.441 263 D N 0.808 121.240 120.400 0.054 0.000 2.108 263 D HA -0.238 4.404 4.640 0.003 0.000 0.190 263 D C 1.884 178.262 176.300 0.129 0.000 0.995 263 D CA 1.763 55.866 54.000 0.173 0.000 0.834 263 D CB -0.013 40.964 40.800 0.295 0.000 0.967 263 D HN 0.241 nan 8.370 nan 0.000 0.446 264 E N -0.604 119.525 120.200 -0.119 0.000 2.171 264 E HA -0.255 4.096 4.350 0.003 0.000 0.197 264 E C 1.910 178.364 176.600 -0.243 0.000 0.997 264 E CA 1.137 57.182 56.400 -0.591 0.000 0.810 264 E CB -0.243 28.855 29.700 -1.003 0.000 0.738 264 E HN 0.372 nan 8.360 nan 0.000 0.467 265 A N 0.381 123.106 122.820 -0.159 0.000 1.873 265 A HA -0.132 4.189 4.320 0.003 0.000 0.215 265 A C 2.413 179.927 177.584 -0.118 0.000 1.186 265 A CA 1.475 53.434 52.037 -0.130 0.000 0.616 265 A CB -0.711 18.218 19.000 -0.119 0.000 0.823 265 A HN 0.221 nan 8.150 nan 0.000 0.442 266 V N 0.076 119.901 119.914 -0.149 0.000 2.392 266 V HA -0.285 3.836 4.120 0.003 0.000 0.249 266 V C 2.421 178.398 176.094 -0.195 0.000 1.059 266 V CA 2.147 64.285 62.300 -0.270 0.000 1.051 266 V CB -1.165 30.354 31.823 -0.506 0.000 0.658 266 V HN 0.640 nan 8.190 nan 0.000 0.455 267 H N -0.207 118.938 119.070 0.125 0.000 2.423 267 H HA -0.044 4.514 4.556 0.003 0.000 0.297 267 H C 2.324 177.747 175.328 0.159 0.000 1.075 267 H CA 1.347 57.546 56.048 0.253 0.000 1.342 267 H CB -0.129 29.841 29.762 0.347 0.000 1.395 267 H HN 0.446 nan 8.280 nan 0.000 0.530 268 N N 0.567 119.345 118.700 0.129 0.000 2.250 268 N HA -0.043 4.699 4.740 0.003 0.000 0.181 268 N C 2.109 177.630 175.510 0.019 0.000 1.017 268 N CA 0.338 53.420 53.050 0.053 0.000 0.866 268 N CB 0.233 38.684 38.487 -0.060 0.000 0.985 268 N HN 0.300 nan 8.380 nan 0.000 0.429 269 I N 1.304 121.825 120.570 -0.083 0.000 2.163 269 I HA -0.244 3.927 4.170 0.003 0.000 0.240 269 I C 2.498 178.416 176.117 -0.332 0.000 1.081 269 I CA 0.713 61.911 61.300 -0.171 0.000 1.353 269 I CB -0.280 37.602 38.000 -0.196 0.000 1.054 269 I HN 0.085 nan 8.210 nan 0.000 0.407 270 L N 0.061 120.999 121.223 -0.475 0.000 2.081 270 L HA -0.282 4.060 4.340 0.003 0.000 0.212 270 L C 2.504 179.265 176.870 -0.182 0.000 1.080 270 L CA 1.678 56.073 54.840 -0.741 0.000 0.754 270 L CB -0.318 41.512 42.059 -0.383 0.000 0.893 270 L HN 0.124 nan 8.230 nan 0.000 0.433 271 F N 0.208 120.162 119.950 0.007 0.000 2.113 271 F HA -0.145 4.384 4.527 0.003 0.000 0.297 271 F C 2.430 178.383 175.800 0.254 0.000 1.103 271 F CA 1.504 59.676 58.000 0.288 0.000 1.248 271 F CB -0.361 38.794 39.000 0.257 0.000 0.999 271 F HN 0.138 nan 8.300 nan 0.000 0.475 272 A N -0.419 122.602 122.820 0.336 0.000 1.940 272 A HA -0.150 4.171 4.320 0.003 0.000 0.219 272 A C 2.196 179.897 177.584 0.196 0.000 1.176 272 A CA 2.139 54.309 52.037 0.221 0.000 0.631 272 A CB -1.276 17.751 19.000 0.046 0.000 0.814 272 A HN 0.278 nan 8.150 nan 0.000 0.446 273 V N -1.333 118.653 119.914 0.120 0.000 2.407 273 V HA -0.214 3.908 4.120 0.003 0.000 0.245 273 V C 2.530 178.881 176.094 0.428 0.000 1.041 273 V CA 1.830 64.293 62.300 0.273 0.000 1.040 273 V CB -0.876 31.091 31.823 0.240 0.000 0.671 273 V HN 0.703 nan 8.190 nan 0.000 0.455 274 C N -1.134 118.377 119.300 0.352 0.000 2.505 274 C HA 0.067 4.528 4.460 0.003 0.000 0.279 274 C C 2.450 177.716 174.990 0.460 0.000 1.316 274 C CA 0.390 59.661 59.018 0.422 0.000 1.720 274 C CB -0.810 27.112 27.740 0.303 0.000 2.050 274 C HN 0.567 nan 8.230 nan 0.000 0.493 275 F N 1.759 121.838 119.950 0.214 0.000 2.164 275 F HA 0.020 4.548 4.527 0.003 0.000 0.287 275 F C 2.430 178.326 175.800 0.161 0.000 1.086 275 F CA 1.291 59.318 58.000 0.045 0.000 1.249 275 F CB -0.277 38.293 39.000 -0.717 0.000 1.059 275 F HN 0.134 nan 8.300 nan 0.000 0.490 276 N N -0.039 118.968 118.700 0.511 0.000 2.048 276 N HA -0.134 4.607 4.740 0.003 0.000 0.193 276 N C 1.698 177.449 175.510 0.401 0.000 1.061 276 N CA 2.280 55.625 53.050 0.491 0.000 0.849 276 N CB -1.076 37.656 38.487 0.408 0.000 1.044 276 N HN 0.224 nan 8.380 nan 0.000 0.429 277 T N 1.917 116.702 114.554 0.385 0.000 2.529 277 T HA -0.168 4.183 4.350 0.003 0.000 0.261 277 T C 1.787 176.683 174.700 0.327 0.000 1.110 277 T CA 1.289 63.617 62.100 0.381 0.000 1.192 277 T CB -0.924 68.206 68.868 0.437 0.000 0.864 277 T HN 0.181 nan 8.240 nan 0.000 0.407 278 F N 2.061 122.163 119.950 0.253 0.000 2.063 278 F HA -0.128 4.401 4.527 0.002 0.000 0.298 278 F C 2.520 178.382 175.800 0.104 0.000 1.109 278 F CA 1.758 59.877 58.000 0.199 0.000 1.212 278 F CB -1.008 38.162 39.000 0.283 0.000 0.973 278 F HN 0.224 nan 8.300 nan 0.000 0.480 279 G N -0.749 108.189 108.800 0.230 0.000 2.469 279 G HA2 -0.260 3.702 3.960 0.003 0.000 0.219 279 G HA3 -0.260 3.702 3.960 0.003 0.000 0.219 279 G C 1.882 176.769 174.900 -0.021 0.000 1.150 279 G CA 0.852 45.977 45.100 0.041 0.000 0.763 279 G HN 0.672 nan 8.290 nan 0.000 0.561 280 G N 0.125 108.964 108.800 0.065 0.000 2.394 280 G HA2 -0.076 3.885 3.960 0.003 0.000 0.215 280 G HA3 -0.076 3.885 3.960 0.003 0.000 0.215 280 G C 1.733 176.585 174.900 -0.079 0.000 1.165 280 G CA 1.131 46.268 45.100 0.062 0.000 0.784 280 G HN 0.330 nan 8.290 nan 0.000 0.535 281 V N 0.989 120.778 119.914 -0.209 0.000 2.667 281 V HA -0.080 4.041 4.120 0.003 0.000 0.252 281 V C 2.558 178.378 176.094 -0.457 0.000 1.065 281 V CA 1.883 63.894 62.300 -0.483 0.000 1.083 281 V CB -0.302 31.090 31.823 -0.718 0.000 0.692 281 V HN 0.464 nan 8.190 nan 0.000 0.468 282 K N 0.026 120.143 120.400 -0.472 0.000 2.281 282 K HA -0.156 4.165 4.320 0.003 0.000 0.203 282 K C 1.781 178.287 176.600 -0.157 0.000 1.046 282 K CA 1.587 57.625 56.287 -0.416 0.000 0.938 282 K CB -0.054 32.146 32.500 -0.499 0.000 0.737 282 K HN 0.497 nan 8.250 nan 0.000 0.458 283 I N -0.606 119.907 120.570 -0.094 0.000 3.132 283 I HA -0.120 4.052 4.170 0.003 0.000 0.255 283 I C 1.923 178.080 176.117 0.066 0.000 1.118 283 I CA -0.073 61.236 61.300 0.015 0.000 1.463 283 I CB -0.197 37.831 38.000 0.046 0.000 1.356 283 I HN 0.055 nan 8.210 nan 0.000 0.463 284 L N 0.968 122.221 121.223 0.050 0.000 2.043 284 L HA -0.226 4.115 4.340 0.003 0.000 0.212 284 L C 2.278 179.269 176.870 0.202 0.000 1.075 284 L CA 2.146 57.050 54.840 0.107 0.000 0.752 284 L CB -0.685 41.405 42.059 0.051 0.000 0.891 284 L HN 0.042 nan 8.230 nan 0.000 0.432 285 F N -0.007 119.836 119.950 -0.178 0.000 2.113 285 F HA -0.034 4.494 4.527 0.002 0.000 0.297 285 F C -0.094 175.632 175.800 -0.123 0.000 1.103 285 F CA 0.941 58.709 58.000 -0.388 0.000 1.248 285 F CB -2.493 36.202 39.000 -0.509 0.000 0.999 285 F HN 0.177 nan 8.300 nan 0.000 0.475 286 P HA -0.114 nan 4.420 nan 0.000 0.215 286 P C 1.207 178.559 177.300 0.087 0.000 1.153 286 P CA 1.550 64.794 63.100 0.240 0.000 0.853 286 P CB 0.004 31.872 31.700 0.279 0.000 0.788 287 N N -1.616 117.152 118.700 0.115 0.000 2.142 287 N HA -0.084 4.657 4.740 0.003 0.000 0.186 287 N C 1.691 177.310 175.510 0.182 0.000 1.023 287 N CA 1.438 54.556 53.050 0.114 0.000 0.852 287 N CB -1.399 37.239 38.487 0.253 0.000 0.998 287 N HN 0.089 nan 8.380 nan 0.000 0.424 288 T N 1.108 115.783 114.554 0.202 0.000 2.821 288 T HA -0.046 4.305 4.350 0.003 0.000 0.267 288 T C 1.814 176.624 174.700 0.184 0.000 1.046 288 T CA 0.483 62.717 62.100 0.224 0.000 1.139 288 T CB -0.259 68.705 68.868 0.161 0.000 0.871 288 T HN 0.079 nan 8.240 nan 0.000 0.454 289 L N 1.243 122.547 121.223 0.136 0.000 2.201 289 L HA 0.098 4.440 4.340 0.003 0.000 0.212 289 L C 2.161 179.046 176.870 0.025 0.000 1.105 289 L CA 1.692 56.549 54.840 0.027 0.000 0.775 289 L CB -0.440 41.480 42.059 -0.232 0.000 0.913 289 L HN 0.090 nan 8.230 nan 0.000 0.440 290 K N -1.248 119.123 120.400 -0.048 0.000 1.995 290 K HA -0.190 4.131 4.320 0.003 0.000 0.207 290 K C 2.088 178.543 176.600 -0.242 0.000 1.041 290 K CA 1.690 57.874 56.287 -0.172 0.000 0.942 290 K CB -0.632 31.663 32.500 -0.340 0.000 0.731 290 K HN 0.337 nan 8.250 nan 0.000 0.439 291 W N 1.427 122.616 121.300 -0.184 0.000 2.325 291 W HA -0.217 4.445 4.660 0.002 0.000 0.299 291 W C 1.997 178.212 176.519 -0.507 0.000 1.215 291 W CA 0.248 57.285 57.345 -0.513 0.000 1.244 291 W CB -0.091 28.817 29.460 -0.921 0.000 1.140 291 W HN 0.154 nan 8.180 nan 0.000 0.523 292 I N 0.045 120.606 120.570 -0.015 0.000 2.133 292 I HA -0.124 4.047 4.170 0.003 0.000 0.238 292 I C 2.686 178.926 176.117 0.206 0.000 1.074 292 I CA 1.876 63.263 61.300 0.145 0.000 1.342 292 I CB -2.039 36.125 38.000 0.273 0.000 1.053 292 I HN 0.094 nan 8.210 nan 0.000 0.404 293 G N 1.601 110.557 108.800 0.260 0.000 2.574 293 G HA2 -0.260 3.701 3.960 0.003 0.000 0.220 293 G HA3 -0.260 3.701 3.960 0.003 0.000 0.220 293 G C 1.707 176.614 174.900 0.012 0.000 1.173 293 G CA 0.757 45.956 45.100 0.165 0.000 0.772 293 G HN 0.374 nan 8.290 nan 0.000 0.585 294 L N 0.854 122.069 121.223 -0.013 0.000 2.551 294 L HA 0.108 4.449 4.340 0.003 0.000 0.228 294 L C 3.155 180.032 176.870 0.012 0.000 1.153 294 L CA 0.405 55.223 54.840 -0.038 0.000 0.851 294 L CB -0.274 41.735 42.059 -0.083 0.000 0.959 294 L HN 0.334 nan 8.230 nan 0.000 0.451 295 A N 0.105 122.967 122.820 0.071 0.000 2.121 295 A HA 0.252 4.574 4.320 0.003 0.000 0.218 295 A C 1.503 179.110 177.584 0.039 0.000 1.154 295 A CA 1.158 53.273 52.037 0.129 0.000 0.679 295 A CB -0.336 18.803 19.000 0.231 0.000 0.795 295 A HN 0.529 nan 8.150 nan 0.000 0.458 296 G N -1.317 107.432 108.800 -0.085 0.000 2.464 296 G HA2 -0.185 3.777 3.960 0.003 0.000 0.216 296 G HA3 -0.185 3.777 3.960 0.003 0.000 0.216 296 G C 0.402 175.081 174.900 -0.369 0.000 1.186 296 G CA 0.356 45.344 45.100 -0.187 0.000 1.010 296 G HN 0.347 nan 8.290 nan 0.000 0.585 297 E N -0.424 119.625 120.200 -0.251 0.000 2.391 297 E HA 0.041 4.392 4.350 0.003 0.000 0.206 297 E C 1.994 178.538 176.600 -0.093 0.000 0.851 297 E CA 0.364 56.608 56.400 -0.260 0.000 1.059 297 E CB -0.078 29.488 29.700 -0.223 0.000 1.065 297 E HN 0.413 nan 8.360 nan 0.000 0.512 298 N N 1.356 120.017 118.700 -0.065 0.000 2.192 298 N HA -0.187 4.554 4.740 0.003 0.000 0.188 298 N C 2.050 177.542 175.510 -0.030 0.000 1.013 298 N CA 0.804 53.829 53.050 -0.042 0.000 0.863 298 N CB 0.013 38.479 38.487 -0.034 0.000 0.990 298 N HN 0.196 nan 8.380 nan 0.000 0.430 299 L N 1.289 122.519 121.223 0.011 0.000 1.988 299 L HA -0.120 4.222 4.340 0.003 0.000 0.207 299 L C 2.087 178.899 176.870 -0.096 0.000 1.071 299 L CA 1.890 56.736 54.840 0.010 0.000 0.744 299 L CB -1.208 40.923 42.059 0.119 0.000 0.893 299 L HN 0.160 nan 8.230 nan 0.000 0.433 300 H N -0.712 118.208 119.070 -0.251 0.000 2.289 300 H HA -0.178 4.380 4.556 0.003 0.000 0.294 300 H C 2.184 177.286 175.328 -0.376 0.000 1.095 300 H CA 2.231 58.047 56.048 -0.385 0.000 1.256 300 H CB -1.166 28.536 29.762 -0.100 0.000 1.359 300 H HN 0.358 nan 8.280 nan 0.000 0.487 301 T N 0.683 115.206 114.554 -0.052 0.000 2.759 301 T HA -0.157 4.194 4.350 0.003 0.000 0.269 301 T C 1.874 176.506 174.700 -0.113 0.000 1.042 301 T CA 1.527 63.587 62.100 -0.066 0.000 1.140 301 T CB -0.113 68.730 68.868 -0.042 0.000 0.864 301 T HN 0.484 nan 8.240 nan 0.000 0.455 302 Q N -0.024 119.695 119.800 -0.136 0.000 2.212 302 Q HA 0.198 4.540 4.340 0.003 0.000 0.199 302 Q C 2.376 178.262 176.000 -0.190 0.000 0.950 302 Q CA 0.593 56.320 55.803 -0.127 0.000 0.863 302 Q CB -0.155 28.528 28.738 -0.092 0.000 0.944 302 Q HN 0.444 nan 8.270 nan 0.000 0.465 303 L N 0.240 121.255 121.223 -0.346 0.000 2.093 303 L HA -0.140 4.201 4.340 0.003 0.000 0.208 303 L C 2.417 179.052 176.870 -0.391 0.000 1.085 303 L CA 0.975 55.538 54.840 -0.461 0.000 0.755 303 L CB -0.421 41.093 42.059 -0.907 0.000 0.904 303 L HN 0.202 nan 8.230 nan 0.000 0.435 304 A N -0.533 122.043 122.820 -0.407 0.000 1.968 304 A HA -0.222 4.100 4.320 0.003 0.000 0.217 304 A C 2.208 179.754 177.584 -0.063 0.000 1.169 304 A CA 1.534 53.496 52.037 -0.124 0.000 0.638 304 A CB -0.350 18.641 19.000 -0.016 0.000 0.812 304 A HN 0.440 nan 8.150 nan 0.000 0.446 305 E N -0.217 119.933 120.200 -0.085 0.000 2.047 305 E HA -0.220 4.132 4.350 0.003 0.000 0.191 305 E C 2.027 178.606 176.600 -0.035 0.000 0.987 305 E CA 1.279 57.650 56.400 -0.047 0.000 0.799 305 E CB -0.153 29.517 29.700 -0.050 0.000 0.752 305 E HN 0.732 nan 8.360 nan 0.000 0.449 306 E N 0.429 120.599 120.200 -0.052 0.000 2.007 306 E HA -0.218 4.133 4.350 0.003 0.000 0.194 306 E C 2.219 178.812 176.600 -0.011 0.000 0.999 306 E CA 1.549 57.931 56.400 -0.029 0.000 0.811 306 E CB -0.186 29.487 29.700 -0.046 0.000 0.762 306 E HN 0.299 nan 8.360 nan 0.000 0.450 307 I N 0.650 121.207 120.570 -0.022 0.000 2.113 307 I HA -0.374 3.797 4.170 0.003 0.000 0.242 307 I C 2.796 178.921 176.117 0.013 0.000 1.064 307 I CA 1.710 63.010 61.300 -0.001 0.000 1.320 307 I CB -0.386 37.622 38.000 0.013 0.000 1.028 307 I HN 0.139 nan 8.210 nan 0.000 0.406 308 R N 0.557 121.063 120.500 0.011 0.000 2.073 308 R HA -0.100 4.242 4.340 0.003 0.000 0.234 308 R C 2.489 178.799 176.300 0.016 0.000 1.134 308 R CA 1.450 57.557 56.100 0.012 0.000 0.952 308 R CB -0.877 29.428 30.300 0.008 0.000 0.850 308 R HN 0.493 nan 8.270 nan 0.000 0.433 309 G N 1.015 109.825 108.800 0.016 0.000 2.446 309 G HA2 -0.301 3.660 3.960 0.003 0.000 0.217 309 G HA3 -0.301 3.660 3.960 0.003 0.000 0.217 309 G C 1.561 176.495 174.900 0.057 0.000 1.168 309 G CA 0.882 45.996 45.100 0.024 0.000 0.771 309 G HN 0.429 nan 8.290 nan 0.000 0.551 310 A N 0.289 123.163 122.820 0.091 0.000 2.015 310 A HA 0.153 4.475 4.320 0.003 0.000 0.219 310 A C 2.357 180.031 177.584 0.151 0.000 1.163 310 A CA 1.001 53.147 52.037 0.182 0.000 0.646 310 A CB -0.258 18.811 19.000 0.115 0.000 0.806 310 A HN 0.411 nan 8.150 nan 0.000 0.448 311 I N -0.492 120.121 120.570 0.072 0.000 2.353 311 I HA -0.184 3.987 4.170 0.003 0.000 0.248 311 I C 2.578 178.713 176.117 0.030 0.000 1.119 311 I CA 1.429 62.759 61.300 0.050 0.000 1.417 311 I CB -0.147 37.870 38.000 0.027 0.000 1.078 311 I HN 0.346 nan 8.210 nan 0.000 0.421 312 K N 1.368 121.772 120.400 0.008 0.000 2.005 312 K HA -0.082 4.239 4.320 0.003 0.000 0.206 312 K C 2.092 178.645 176.600 -0.079 0.000 1.044 312 K CA 1.912 58.183 56.287 -0.027 0.000 0.942 312 K CB -0.353 32.129 32.500 -0.031 0.000 0.727 312 K HN 0.123 nan 8.250 nan 0.000 0.439 313 S N 0.357 115.977 115.700 -0.132 0.000 2.359 313 S HA -0.161 4.311 4.470 0.003 0.000 0.223 313 S C 1.781 176.041 174.600 -0.566 0.000 1.039 313 S CA 1.867 59.830 58.200 -0.395 0.000 1.042 313 S CB -0.394 62.501 63.200 -0.508 0.000 0.915 313 S HN 0.458 nan 8.310 nan 0.000 0.439 314 Y N -0.393 119.904 120.300 -0.005 0.000 2.426 314 Y HA 0.413 4.965 4.550 0.003 0.000 0.249 314 Y C 2.206 178.105 175.900 -0.003 0.000 1.103 314 Y CA -0.014 58.084 58.100 -0.004 0.000 1.256 314 Y CB 0.016 38.473 38.460 -0.005 0.000 1.208 314 Y HN 0.305 nan 8.280 nan 0.000 0.519 315 G N -1.022 107.845 108.800 0.111 0.000 3.020 315 G HA2 0.040 4.001 3.960 0.003 0.000 0.217 315 G HA3 0.040 4.001 3.960 0.003 0.000 0.217 315 G C 0.051 174.971 174.900 0.035 0.000 1.144 315 G CA 0.472 45.613 45.100 0.069 0.000 0.760 315 G HN 0.336 nan 8.290 nan 0.000 0.548 316 D N -1.926 118.482 120.400 0.013 0.000 3.041 316 D HA -0.124 4.517 4.640 0.003 0.000 0.220 316 D C 1.417 177.718 176.300 0.003 0.000 1.157 316 D CA 1.890 55.889 54.000 -0.001 0.000 0.876 316 D CB -1.244 39.560 40.800 0.006 0.000 1.107 316 D HN 1.083 nan 8.370 nan 0.000 0.422 317 G N -0.704 108.099 108.800 0.006 0.000 2.148 317 G HA2 -0.203 3.759 3.960 0.003 0.000 0.203 317 G HA3 -0.203 3.759 3.960 0.003 0.000 0.203 317 G C -0.188 174.721 174.900 0.015 0.000 0.993 317 G CA 0.056 45.160 45.100 0.007 0.000 0.661 317 G HN 0.945 nan 8.290 nan 0.000 0.518 318 N N -1.054 117.659 118.700 0.021 0.000 2.710 318 N HA 0.455 5.197 4.740 0.003 0.000 0.257 318 N C -0.545 174.981 175.510 0.027 0.000 1.327 318 N CA -0.637 52.427 53.050 0.025 0.000 0.861 318 N CB 1.727 40.231 38.487 0.027 0.000 1.532 318 N HN 0.196 nan 8.380 nan 0.000 0.499 319 V N 0.860 120.788 119.914 0.023 0.000 2.585 319 V HA 0.332 4.454 4.120 0.003 0.000 0.296 319 V C 0.687 176.790 176.094 0.015 0.000 1.035 319 V CA 0.448 62.756 62.300 0.013 0.000 1.084 319 V CB 0.086 31.909 31.823 0.000 0.000 0.953 319 V HN 0.976 nan 8.190 nan 0.000 0.483 320 T N 1.579 116.140 114.554 0.011 0.000 2.853 320 T HA 0.487 4.839 4.350 0.003 0.000 0.311 320 T C 0.526 175.226 174.700 -0.001 0.000 1.307 320 T CA -0.858 61.250 62.100 0.013 0.000 1.019 320 T CB 1.202 70.088 68.868 0.031 0.000 1.264 320 T HN 0.175 nan 8.240 nan 0.000 0.497 321 L N 0.401 121.621 121.223 -0.004 0.000 2.127 321 L HA -0.125 4.216 4.340 0.003 0.000 0.211 321 L C 2.544 179.401 176.870 -0.022 0.000 1.089 321 L CA 1.652 56.483 54.840 -0.017 0.000 0.757 321 L CB -0.637 41.417 42.059 -0.008 0.000 0.899 321 L HN 0.756 nan 8.230 nan 0.000 0.434 322 E N 0.385 120.581 120.200 -0.007 0.000 2.047 322 E HA -0.168 4.184 4.350 0.003 0.000 0.191 322 E C 2.321 178.888 176.600 -0.056 0.000 0.987 322 E CA 1.342 57.728 56.400 -0.022 0.000 0.799 322 E CB -0.350 29.367 29.700 0.028 0.000 0.752 322 E HN 0.443 nan 8.360 nan 0.000 0.449 323 A N 0.856 123.682 122.820 0.009 0.000 1.902 323 A HA -0.172 4.150 4.320 0.003 0.000 0.217 323 A C 2.267 179.830 177.584 -0.035 0.000 1.181 323 A CA 1.279 53.333 52.037 0.029 0.000 0.623 323 A CB -0.750 18.298 19.000 0.080 0.000 0.818 323 A HN 0.196 nan 8.150 nan 0.000 0.443 324 I N -0.353 120.191 120.570 -0.043 0.000 2.208 324 I HA -0.223 3.949 4.170 0.003 0.000 0.245 324 I C 2.101 178.174 176.117 -0.074 0.000 1.097 324 I CA 1.248 62.511 61.300 -0.061 0.000 1.363 324 I CB -0.411 37.546 38.000 -0.071 0.000 1.051 324 I HN 0.271 nan 8.210 nan 0.000 0.413 325 E N 0.775 120.924 120.200 -0.085 0.000 2.510 325 E HA -0.166 4.186 4.350 0.003 0.000 0.202 325 E C 1.104 177.625 176.600 -0.132 0.000 1.072 325 E CA 0.752 57.096 56.400 -0.093 0.000 0.883 325 E CB -0.009 29.635 29.700 -0.094 0.000 0.818 325 E HN 0.536 nan 8.360 nan 0.000 0.548 326 Q N -0.841 118.865 119.800 -0.157 0.000 2.175 326 Q HA 0.241 4.582 4.340 0.003 0.000 0.225 326 Q C 0.292 176.249 176.000 -0.070 0.000 0.837 326 Q CA -0.002 55.695 55.803 -0.176 0.000 1.032 326 Q CB 0.531 29.072 28.738 -0.328 0.000 1.137 326 Q HN 0.237 nan 8.270 nan 0.000 0.483 327 M N 1.745 121.312 119.600 -0.055 0.000 2.944 327 M HA 0.185 4.667 4.480 0.003 0.000 0.235 327 M C -1.703 174.581 176.300 -0.026 0.000 1.188 327 M CA -1.484 53.794 55.300 -0.036 0.000 0.688 327 M CB 1.166 33.741 32.600 -0.042 0.000 1.406 327 M HN -0.189 nan 8.290 nan 0.000 0.479 328 P HA -0.234 nan 4.420 nan 0.000 0.216 328 P C 1.450 178.764 177.300 0.023 0.000 1.157 328 P CA 1.378 64.486 63.100 0.013 0.000 0.880 328 P CB 0.348 32.054 31.700 0.010 0.000 0.791 329 L N -0.167 121.058 121.223 0.003 0.000 2.017 329 L HA -0.088 4.253 4.340 0.003 0.000 0.208 329 L C 2.429 179.300 176.870 0.001 0.000 1.073 329 L CA 2.342 57.184 54.840 0.002 0.000 0.745 329 L CB -1.816 40.229 42.059 -0.024 0.000 0.894 329 L HN -0.067 nan 8.230 nan 0.000 0.432 330 T N -0.261 114.279 114.554 -0.024 0.000 2.737 330 T HA -0.232 4.119 4.350 0.003 0.000 0.269 330 T C 1.847 176.510 174.700 -0.061 0.000 1.040 330 T CA 1.867 63.946 62.100 -0.034 0.000 1.142 330 T CB -0.166 68.673 68.868 -0.048 0.000 0.861 330 T HN 0.383 nan 8.240 nan 0.000 0.456 331 K N 0.782 121.144 120.400 -0.063 0.000 2.007 331 K HA 0.002 4.324 4.320 0.003 0.000 0.206 331 K C 2.769 179.311 176.600 -0.096 0.000 1.047 331 K CA 1.278 57.477 56.287 -0.147 0.000 0.937 331 K CB -0.357 32.122 32.500 -0.035 0.000 0.718 331 K HN 0.164 nan 8.250 nan 0.000 0.438 332 S N 0.809 116.591 115.700 0.138 0.000 2.383 332 S HA -0.132 4.340 4.470 0.003 0.000 0.229 332 S C 2.054 176.787 174.600 0.221 0.000 1.030 332 S CA 1.091 59.480 58.200 0.315 0.000 1.002 332 S CB -0.253 63.081 63.200 0.224 0.000 0.829 332 S HN 0.093 nan 8.310 nan 0.000 0.467 333 V N 1.264 121.237 119.914 0.097 0.000 2.255 333 V HA -0.141 3.981 4.120 0.003 0.000 0.247 333 V C 2.494 178.672 176.094 0.140 0.000 1.051 333 V CA 1.968 64.343 62.300 0.124 0.000 1.018 333 V CB -0.656 31.250 31.823 0.139 0.000 0.641 333 V HN 0.455 nan 8.190 nan 0.000 0.445 334 V N -1.264 118.651 119.914 0.002 0.000 2.490 334 V HA -0.255 3.866 4.120 0.003 0.000 0.250 334 V C 2.169 178.223 176.094 -0.068 0.000 1.061 334 V CA 1.895 64.148 62.300 -0.078 0.000 1.064 334 V CB -0.721 30.952 31.823 -0.251 0.000 0.670 334 V HN 0.541 nan 8.190 nan 0.000 0.461 335 Y N 0.495 120.777 120.300 -0.030 0.000 2.184 335 Y HA -0.153 4.399 4.550 0.003 0.000 0.290 335 Y C 2.547 178.404 175.900 -0.071 0.000 1.129 335 Y CA 1.490 59.490 58.100 -0.167 0.000 1.144 335 Y CB -0.763 37.441 38.460 -0.427 0.000 0.995 335 Y HN 0.288 nan 8.280 nan 0.000 0.513 336 E N 0.007 120.394 120.200 0.312 0.000 2.070 336 E HA -0.223 4.128 4.350 0.003 0.000 0.197 336 E C 2.559 179.186 176.600 0.046 0.000 1.004 336 E CA 1.804 58.309 56.400 0.175 0.000 0.805 336 E CB -0.557 28.958 29.700 -0.307 0.000 0.744 336 E HN 0.200 nan 8.360 nan 0.000 0.451 337 S N -0.760 115.059 115.700 0.199 0.000 2.365 337 S HA -0.161 4.311 4.470 0.003 0.000 0.225 337 S C 1.935 176.549 174.600 0.023 0.000 1.039 337 S CA 1.510 59.811 58.200 0.168 0.000 1.033 337 S CB -0.414 62.928 63.200 0.236 0.000 0.887 337 S HN 0.388 nan 8.310 nan 0.000 0.447 338 L N 0.788 122.024 121.223 0.022 0.000 2.201 338 L HA -0.038 4.304 4.340 0.003 0.000 0.212 338 L C 2.839 179.742 176.870 0.054 0.000 1.105 338 L CA 1.337 56.184 54.840 0.012 0.000 0.775 338 L CB -0.413 41.635 42.059 -0.019 0.000 0.913 338 L HN 0.355 nan 8.230 nan 0.000 0.440 339 R N 0.700 121.191 120.500 -0.014 0.000 2.057 339 R HA -0.092 4.249 4.340 0.003 0.000 0.224 339 R C 2.356 178.524 176.300 -0.219 0.000 1.136 339 R CA 1.112 57.137 56.100 -0.126 0.000 0.968 339 R CB -0.195 30.007 30.300 -0.163 0.000 0.863 339 R HN 0.243 nan 8.270 nan 0.000 0.433 340 I N 0.617 121.018 120.570 -0.280 0.000 2.361 340 I HA -0.179 3.993 4.170 0.003 0.000 0.251 340 I C 0.311 176.296 176.117 -0.220 0.000 1.133 340 I CA 1.378 62.453 61.300 -0.376 0.000 1.413 340 I CB 0.257 37.832 38.000 -0.709 0.000 1.073 340 I HN 0.294 nan 8.210 nan 0.000 0.424 341 E N 0.858 120.996 120.200 -0.104 0.000 2.908 341 E HA 0.276 4.627 4.350 0.003 0.000 0.291 341 E C -2.494 174.175 176.600 0.115 0.000 1.154 341 E CA -2.041 54.413 56.400 0.090 0.000 0.784 341 E CB 0.905 30.803 29.700 0.331 0.000 1.500 341 E HN -0.008 nan 8.360 nan 0.000 0.382 342 P HA 0.025 nan 4.420 nan 0.000 0.261 342 P C -2.204 175.206 177.300 0.184 0.000 1.203 342 P CA -0.820 62.378 63.100 0.163 0.000 0.767 342 P CB 0.692 32.478 31.700 0.142 0.000 0.785 343 P HA -0.128 nan 4.420 nan 0.000 0.217 343 P C -0.047 177.379 177.300 0.209 0.000 1.148 343 P CA 1.333 64.543 63.100 0.183 0.000 0.828 343 P CB 0.248 32.039 31.700 0.153 0.000 0.783 344 V N -0.074 119.993 119.914 0.255 0.000 2.320 344 V HA 0.172 4.294 4.120 0.003 0.000 0.268 344 V C -1.673 174.570 176.094 0.249 0.000 1.021 344 V CA -1.189 61.264 62.300 0.255 0.000 0.813 344 V CB 1.293 33.288 31.823 0.287 0.000 1.054 344 V HN 0.001 nan 8.190 nan 0.000 0.444 345 P HA -0.058 nan 4.420 nan 0.000 0.215 345 P C -2.028 175.402 177.300 0.217 0.000 1.157 345 P CA 1.251 64.456 63.100 0.174 0.000 0.874 345 P CB -0.767 31.068 31.700 0.225 0.000 0.790 346 P HA 0.220 nan 4.420 nan 0.000 0.293 346 P C -0.810 176.592 177.300 0.172 0.000 1.313 346 P CA 0.050 63.340 63.100 0.317 0.000 0.787 346 P CB 1.015 33.089 31.700 0.625 0.000 0.910 347 Q N 2.498 122.254 119.800 -0.073 0.000 2.330 347 Q HA 0.505 4.846 4.340 0.003 0.000 0.269 347 Q C -1.034 174.828 176.000 -0.231 0.000 1.022 347 Q CA -0.329 55.448 55.803 -0.043 0.000 0.796 347 Q CB 1.648 30.366 28.738 -0.034 0.000 1.271 347 Q HN 0.401 nan 8.270 nan 0.000 0.450 348 Y N -0.209 120.135 120.300 0.073 0.000 2.549 348 Y HA 0.894 5.446 4.550 0.003 0.000 0.339 348 Y C 0.630 176.532 175.900 0.004 0.000 1.053 348 Y CA -0.951 57.196 58.100 0.078 0.000 1.105 348 Y CB 2.631 41.167 38.460 0.126 0.000 1.258 348 Y HN 0.629 nan 8.280 nan 0.000 0.478 349 G N 1.845 110.745 108.800 0.165 0.000 2.728 349 G HA2 0.363 4.325 3.960 0.003 0.000 0.294 349 G HA3 0.363 4.325 3.960 0.003 0.000 0.294 349 G C -2.159 172.794 174.900 0.088 0.000 1.398 349 G CA -0.983 44.164 45.100 0.078 0.000 1.183 349 G HN 0.432 nan 8.290 nan 0.000 0.578 350 K N 2.026 122.473 120.400 0.079 0.000 2.234 350 K HA 0.640 4.962 4.320 0.003 0.000 0.277 350 K C 0.631 177.273 176.600 0.070 0.000 1.038 350 K CA -0.548 55.778 56.287 0.064 0.000 0.888 350 K CB 1.165 33.691 32.500 0.045 0.000 1.091 350 K HN 0.698 nan 8.250 nan 0.000 0.467 351 A N 4.627 127.485 122.820 0.064 0.000 2.545 351 A HA 0.004 4.326 4.320 0.003 0.000 0.253 351 A C 0.493 178.107 177.584 0.050 0.000 1.074 351 A CA 0.394 52.478 52.037 0.078 0.000 0.760 351 A CB 0.122 19.035 19.000 -0.146 0.000 1.005 351 A HN 0.942 nan 8.150 nan 0.000 0.506 352 K N 1.231 121.699 120.400 0.114 0.000 2.314 352 K HA 0.037 4.358 4.320 0.003 0.000 0.198 352 K C 0.628 177.262 176.600 0.056 0.000 1.045 352 K CA 1.149 57.478 56.287 0.069 0.000 0.988 352 K CB 0.027 32.570 32.500 0.071 0.000 0.783 352 K HN 0.873 nan 8.250 nan 0.000 0.484 353 S N -0.288 115.462 115.700 0.083 0.000 2.705 353 S HA 0.313 4.784 4.470 0.003 0.000 0.280 353 S C -1.131 173.427 174.600 -0.071 0.000 1.174 353 S CA -1.177 57.050 58.200 0.046 0.000 0.823 353 S CB 1.038 64.306 63.200 0.113 0.000 1.162 353 S HN -0.051 nan 8.310 nan 0.000 0.487 354 N N 1.143 119.808 118.700 -0.057 0.000 2.415 354 N HA 0.603 5.344 4.740 0.003 0.000 0.246 354 N C -0.735 174.753 175.510 -0.037 0.000 1.078 354 N CA -0.271 52.700 53.050 -0.132 0.000 0.942 354 N CB 0.085 38.535 38.487 -0.063 0.000 1.140 354 N HN 0.549 nan 8.380 nan 0.000 0.501 355 F N -0.976 118.973 119.950 -0.001 0.000 2.764 355 F HA 0.788 5.317 4.527 0.003 0.000 0.347 355 F C 0.010 175.812 175.800 0.004 0.000 1.151 355 F CA -1.221 56.777 58.000 -0.004 0.000 1.021 355 F CB 0.945 39.937 39.000 -0.014 0.000 1.438 355 F HN 0.077 nan 8.300 nan 0.000 0.516 356 T N 1.230 116.074 114.554 0.482 0.000 2.916 356 T HA 0.813 5.165 4.350 0.003 0.000 0.292 356 T C -0.986 173.904 174.700 0.316 0.000 1.055 356 T CA -0.544 61.739 62.100 0.305 0.000 1.009 356 T CB 1.194 70.145 68.868 0.138 0.000 1.118 356 T HN 0.979 nan 8.240 nan 0.000 0.497 357 I N 0.405 121.122 120.570 0.245 0.000 3.095 357 I HA 0.848 5.020 4.170 0.003 0.000 0.310 357 I C -1.432 174.786 176.117 0.167 0.000 1.196 357 I CA -1.207 60.198 61.300 0.174 0.000 0.985 357 I CB 2.556 40.674 38.000 0.197 0.000 1.250 357 I HN 0.819 nan 8.210 nan 0.000 0.446 358 E N 2.065 122.334 120.200 0.115 0.000 2.356 358 E HA 0.595 4.947 4.350 0.003 0.000 0.275 358 E C -1.306 175.352 176.600 0.097 0.000 0.904 358 E CA -0.807 55.653 56.400 0.100 0.000 0.757 358 E CB 2.129 31.837 29.700 0.013 0.000 1.232 358 E HN 0.815 nan 8.360 nan 0.000 0.442 359 S N 0.800 116.588 115.700 0.147 0.000 2.647 359 S HA 0.236 4.707 4.470 0.003 0.000 0.284 359 S C 0.788 175.382 174.600 -0.011 0.000 1.134 359 S CA -0.641 57.603 58.200 0.075 0.000 1.027 359 S CB 0.255 63.608 63.200 0.254 0.000 1.180 359 S HN 0.646 nan 8.310 nan 0.000 0.521 360 H N 1.162 120.306 119.070 0.123 0.000 2.546 360 H HA 0.091 4.648 4.556 0.003 0.000 0.277 360 H C -0.251 175.114 175.328 0.061 0.000 1.004 360 H CA 1.552 57.650 56.048 0.083 0.000 1.231 360 H CB -0.289 29.518 29.762 0.074 0.000 1.382 360 H HN 0.818 nan 8.280 nan 0.000 0.580 361 D N -1.592 118.903 120.400 0.158 0.000 3.118 361 D HA 0.504 5.146 4.640 0.003 0.000 0.352 361 D C -0.219 176.090 176.300 0.016 0.000 1.498 361 D CA -0.154 53.899 54.000 0.088 0.000 0.759 361 D CB 0.295 41.156 40.800 0.100 0.000 1.251 361 D HN 0.237 nan 8.370 nan 0.000 0.504 362 A N -0.623 122.159 122.820 -0.062 0.000 2.489 362 A HA 0.711 5.032 4.320 0.003 0.000 0.293 362 A C -1.202 176.110 177.584 -0.454 0.000 1.004 362 A CA -0.845 51.026 52.037 -0.276 0.000 0.626 362 A CB 0.847 19.632 19.000 -0.358 0.000 1.345 362 A HN 0.071 nan 8.150 nan 0.000 0.447 363 T N 0.200 114.340 114.554 -0.690 0.000 2.907 363 T HA 0.817 5.169 4.350 0.003 0.000 0.292 363 T C -1.301 172.904 174.700 -0.826 0.000 1.043 363 T CA -0.153 61.627 62.100 -0.534 0.000 1.003 363 T CB 0.919 69.654 68.868 -0.221 0.000 1.084 363 T HN 0.589 nan 8.240 nan 0.000 0.483 364 F N 0.529 120.489 119.950 0.017 0.000 2.581 364 F HA 0.375 4.904 4.527 0.003 0.000 0.311 364 F C 0.182 175.985 175.800 0.005 0.000 1.113 364 F CA -1.056 56.948 58.000 0.006 0.000 0.935 364 F CB 1.745 40.744 39.000 -0.003 0.000 1.232 364 F HN 0.426 nan 8.300 nan 0.000 0.445 365 E N 2.263 122.558 120.200 0.159 0.000 2.229 365 E HA 0.475 4.827 4.350 0.003 0.000 0.283 365 E C -1.026 175.563 176.600 -0.018 0.000 1.030 365 E CA -0.548 55.882 56.400 0.051 0.000 0.836 365 E CB 2.193 31.904 29.700 0.019 0.000 1.068 365 E HN 0.250 nan 8.360 nan 0.000 0.401 366 V N 4.009 123.824 119.914 -0.166 0.000 2.459 366 V HA 0.234 4.356 4.120 0.003 0.000 0.295 366 V C -0.085 175.766 176.094 -0.405 0.000 1.029 366 V CA -0.789 61.310 62.300 -0.335 0.000 0.874 366 V CB 1.517 32.957 31.823 -0.638 0.000 0.985 366 V HN 0.555 nan 8.190 nan 0.000 0.438 367 K N 3.057 123.304 120.400 -0.256 0.000 2.138 367 K HA 0.441 4.763 4.320 0.003 0.000 0.263 367 K C -0.215 176.274 176.600 -0.185 0.000 0.965 367 K CA -0.902 55.269 56.287 -0.193 0.000 0.868 367 K CB 1.849 34.291 32.500 -0.097 0.000 1.083 367 K HN 0.545 nan 8.250 nan 0.000 0.443 368 K N 0.890 121.202 120.400 -0.147 0.000 2.511 368 K HA -0.163 4.159 4.320 0.003 0.000 0.277 368 K C 0.681 177.242 176.600 -0.065 0.000 1.025 368 K CA 1.586 57.817 56.287 -0.093 0.000 1.112 368 K CB -0.137 32.333 32.500 -0.051 0.000 0.859 368 K HN 0.864 nan 8.250 nan 0.000 0.485 369 G N 2.946 111.718 108.800 -0.047 0.000 2.254 369 G HA2 -0.241 3.721 3.960 0.003 0.000 0.225 369 G HA3 -0.241 3.721 3.960 0.003 0.000 0.225 369 G C -0.186 174.695 174.900 -0.031 0.000 1.003 369 G CA 0.028 45.109 45.100 -0.031 0.000 0.622 369 G HN 0.671 nan 8.290 nan 0.000 0.507 370 E N 0.246 120.418 120.200 -0.046 0.000 2.383 370 E HA 0.508 4.859 4.350 0.003 0.000 0.264 370 E C 0.170 176.770 176.600 0.000 0.000 1.050 370 E CA -0.354 56.029 56.400 -0.029 0.000 0.896 370 E CB 0.795 30.471 29.700 -0.041 0.000 0.982 370 E HN 0.270 nan 8.360 nan 0.000 0.424 371 M N 3.483 123.100 119.600 0.028 0.000 2.157 371 M HA 0.273 4.755 4.480 0.003 0.000 0.354 371 M C -1.610 174.753 176.300 0.104 0.000 1.170 371 M CA -0.102 55.246 55.300 0.080 0.000 1.060 371 M CB 0.512 33.172 32.600 0.100 0.000 1.615 371 M HN 0.358 nan 8.290 nan 0.000 0.460 372 L N 5.670 126.952 121.223 0.099 0.000 2.295 372 L HA 0.579 4.921 4.340 0.003 0.000 0.285 372 L C -1.154 175.750 176.870 0.058 0.000 1.035 372 L CA -0.443 54.420 54.840 0.038 0.000 0.806 372 L CB 1.140 43.184 42.059 -0.024 0.000 1.214 372 L HN 0.710 nan 8.230 nan 0.000 0.426 373 F N 2.059 121.893 119.950 -0.193 0.000 2.539 373 F HA 0.757 5.285 4.527 0.003 0.000 0.318 373 F C 0.018 175.599 175.800 -0.365 0.000 1.135 373 F CA -0.635 57.147 58.000 -0.364 0.000 0.915 373 F CB 1.685 40.492 39.000 -0.321 0.000 1.176 373 F HN 0.345 nan 8.300 nan 0.000 0.440 374 G N 4.204 112.231 108.800 -1.288 0.000 2.415 374 G HA2 0.352 4.313 3.960 0.003 0.000 0.327 374 G HA3 0.352 4.313 3.960 0.003 0.000 0.327 374 G C -2.294 172.032 174.900 -0.956 0.000 1.182 374 G CA -0.515 44.048 45.100 -0.894 0.000 0.924 374 G HN 0.653 nan 8.290 nan 0.000 0.470 375 Y N 2.155 121.986 120.300 -0.781 0.000 2.880 375 Y HA 0.212 4.764 4.550 0.003 0.000 0.329 375 Y C 1.707 177.497 175.900 -0.184 0.000 1.156 375 Y CA -0.820 56.939 58.100 -0.568 0.000 1.348 375 Y CB 0.644 38.553 38.460 -0.917 0.000 1.280 375 Y HN 0.757 nan 8.280 nan 0.000 0.516 376 Q N 3.842 123.509 119.800 -0.221 0.000 2.118 376 Q HA -0.225 4.117 4.340 0.003 0.000 0.211 376 Q C -0.856 174.968 176.000 -0.294 0.000 0.998 376 Q CA 2.598 58.194 55.803 -0.345 0.000 0.872 376 Q CB -0.574 28.113 28.738 -0.084 0.000 0.925 376 Q HN 0.491 nan 8.270 nan 0.000 0.414 377 P HA -0.186 nan 4.420 nan 0.000 0.217 377 P C 0.576 177.886 177.300 0.016 0.000 1.148 377 P CA 1.275 64.262 63.100 -0.188 0.000 0.834 377 P CB -0.098 31.434 31.700 -0.280 0.000 0.783 378 F N -0.303 119.488 119.950 -0.266 0.000 2.118 378 F HA 0.050 4.579 4.527 0.003 0.000 0.293 378 F C 2.502 178.257 175.800 -0.075 0.000 1.102 378 F CA 0.942 58.903 58.000 -0.064 0.000 1.247 378 F CB -1.545 37.498 39.000 0.071 0.000 1.017 378 F HN -0.157 nan 8.300 nan 0.000 0.475 379 A N -0.234 122.620 122.820 0.057 0.000 1.948 379 A HA -0.236 4.086 4.320 0.003 0.000 0.220 379 A C 2.059 179.624 177.584 -0.031 0.000 1.177 379 A CA 2.417 54.455 52.037 0.001 0.000 0.636 379 A CB -1.569 17.263 19.000 -0.279 0.000 0.815 379 A HN 0.437 nan 8.150 nan 0.000 0.449 380 T N -3.345 111.129 114.554 -0.134 0.000 3.148 380 T HA 0.201 4.552 4.350 0.003 0.000 0.253 380 T C 0.846 175.437 174.700 -0.182 0.000 1.134 380 T CA 0.723 62.715 62.100 -0.180 0.000 1.051 380 T CB -0.095 68.631 68.868 -0.237 0.000 0.959 380 T HN 0.445 nan 8.240 nan 0.000 0.525 381 K N 1.379 121.721 120.400 -0.097 0.000 2.758 381 K HA 0.169 4.490 4.320 0.003 0.000 0.208 381 K C -0.509 176.074 176.600 -0.027 0.000 1.091 381 K CA -0.392 55.827 56.287 -0.114 0.000 1.059 381 K CB 0.493 32.896 32.500 -0.161 0.000 0.801 381 K HN 0.199 nan 8.250 nan 0.000 0.470 382 D N 2.544 122.984 120.400 0.067 0.000 2.339 382 D HA 0.038 4.680 4.640 0.003 0.000 0.256 382 D C -1.340 174.966 176.300 0.011 0.000 1.214 382 D CA -2.037 52.001 54.000 0.062 0.000 0.877 382 D CB 1.472 42.352 40.800 0.133 0.000 1.111 382 D HN 0.035 nan 8.370 nan 0.000 0.478 383 P HA -0.148 nan 4.420 nan 0.000 0.220 383 P C 1.047 178.269 177.300 -0.130 0.000 1.148 383 P CA 0.616 63.676 63.100 -0.067 0.000 0.803 383 P CB 0.472 32.132 31.700 -0.066 0.000 0.782 384 K N -0.320 119.966 120.400 -0.190 0.000 2.442 384 K HA 0.019 4.341 4.320 0.003 0.000 0.198 384 K C 1.673 178.109 176.600 -0.274 0.000 1.042 384 K CA 0.551 56.665 56.287 -0.288 0.000 0.958 384 K CB 0.017 32.144 32.500 -0.621 0.000 0.766 384 K HN 0.147 nan 8.250 nan 0.000 0.474 385 V N -0.668 119.066 119.914 -0.299 0.000 2.948 385 V HA 0.126 4.247 4.120 0.003 0.000 0.234 385 V C 0.258 175.968 176.094 -0.640 0.000 1.205 385 V CA 0.324 62.273 62.300 -0.585 0.000 1.234 385 V CB 0.179 31.482 31.823 -0.868 0.000 1.020 385 V HN -0.087 nan 8.190 nan 0.000 0.491 386 F N 0.903 120.683 119.950 -0.283 0.000 2.443 386 F HA 0.518 5.047 4.527 0.003 0.000 0.335 386 F C 0.099 175.778 175.800 -0.203 0.000 1.104 386 F CA -0.844 57.005 58.000 -0.253 0.000 1.013 386 F CB 0.933 39.784 39.000 -0.248 0.000 1.136 386 F HN -0.001 nan 8.300 nan 0.000 0.470 387 D N 1.224 121.620 120.400 -0.006 0.000 2.339 387 D HA 0.275 4.917 4.640 0.003 0.000 0.245 387 D C -0.043 176.226 176.300 -0.051 0.000 1.115 387 D CA -0.041 53.928 54.000 -0.051 0.000 0.917 387 D CB 0.575 41.330 40.800 -0.075 0.000 1.192 387 D HN 0.477 nan 8.370 nan 0.000 0.428 388 R N 1.465 121.932 120.500 -0.055 0.000 3.118 388 R HA -0.154 4.188 4.340 0.003 0.000 0.238 388 R C -1.639 174.616 176.300 -0.074 0.000 0.884 388 R CA 0.227 56.293 56.100 -0.056 0.000 0.601 388 R CB -1.087 29.180 30.300 -0.056 0.000 1.009 388 R HN 0.553 nan 8.270 nan 0.000 0.478 389 P HA -0.232 nan 4.420 nan 0.000 0.217 389 P C 0.694 177.906 177.300 -0.146 0.000 1.158 389 P CA 1.435 64.468 63.100 -0.112 0.000 0.887 389 P CB 0.096 31.751 31.700 -0.074 0.000 0.792 390 E N 0.017 120.161 120.200 -0.093 0.000 2.478 390 E HA -0.026 4.326 4.350 0.003 0.000 0.198 390 E C 0.718 177.299 176.600 -0.032 0.000 1.046 390 E CA 0.534 56.897 56.400 -0.061 0.000 0.870 390 E CB -0.174 29.517 29.700 -0.016 0.000 0.818 390 E HN 0.567 nan 8.360 nan 0.000 0.527 391 E N -0.028 120.142 120.200 -0.050 0.000 2.283 391 E HA 0.136 4.488 4.350 0.003 0.000 0.271 391 E C -0.820 175.742 176.600 -0.065 0.000 1.031 391 E CA -0.574 55.825 56.400 -0.002 0.000 0.868 391 E CB 0.926 30.624 29.700 -0.005 0.000 1.094 391 E HN -0.017 nan 8.360 nan 0.000 0.401 392 Y N 2.196 122.437 120.300 -0.098 0.000 2.595 392 Y HA 0.256 4.807 4.550 0.003 0.000 0.336 392 Y C -1.042 174.820 175.900 -0.064 0.000 0.996 392 Y CA -0.594 57.411 58.100 -0.158 0.000 1.260 392 Y CB 0.417 38.863 38.460 -0.022 0.000 1.108 392 Y HN 0.140 nan 8.280 nan 0.000 0.509 393 V N 10.418 130.093 119.914 -0.399 0.000 2.304 393 V HA 0.173 4.294 4.120 0.003 0.000 0.269 393 V C -1.629 174.193 176.094 -0.454 0.000 1.036 393 V CA -1.607 60.511 62.300 -0.304 0.000 0.840 393 V CB 1.013 32.689 31.823 -0.245 0.000 1.036 393 V HN 0.714 nan 8.190 nan 0.000 0.466 394 P HA -0.217 nan 4.420 nan 0.000 0.217 394 P C 0.951 178.163 177.300 -0.146 0.000 1.162 394 P CA 1.655 64.608 63.100 -0.245 0.000 0.901 394 P CB 0.130 31.833 31.700 0.006 0.000 0.793 395 D N -1.519 118.812 120.400 -0.115 0.000 2.370 395 D HA -0.023 4.619 4.640 0.003 0.000 0.230 395 D C 1.613 177.838 176.300 -0.125 0.000 1.143 395 D CA -0.154 53.803 54.000 -0.071 0.000 0.834 395 D CB -0.760 40.010 40.800 -0.051 0.000 0.944 395 D HN 0.090 nan 8.370 nan 0.000 0.504 396 R N -0.058 120.293 120.500 -0.248 0.000 2.103 396 R HA -0.134 4.207 4.340 0.003 0.000 0.242 396 R C 0.519 176.526 176.300 -0.489 0.000 1.142 396 R CA 1.168 57.006 56.100 -0.438 0.000 0.960 396 R CB -0.227 29.653 30.300 -0.700 0.000 0.858 396 R HN 0.136 nan 8.270 nan 0.000 0.439 397 F N 0.224 120.169 119.950 -0.008 0.000 2.660 397 F HA 0.221 4.749 4.527 0.003 0.000 0.297 397 F C -0.022 175.794 175.800 0.027 0.000 1.132 397 F CA -0.342 57.669 58.000 0.018 0.000 1.372 397 F CB 0.548 39.572 39.000 0.041 0.000 1.003 397 F HN -0.242 nan 8.300 nan 0.000 0.524 398 V N -0.223 119.748 119.914 0.096 0.000 2.617 398 V HA 0.745 4.867 4.120 0.003 0.000 0.298 398 V C 0.959 177.072 176.094 0.032 0.000 1.048 398 V CA -0.157 62.184 62.300 0.069 0.000 0.964 398 V CB 0.798 32.639 31.823 0.031 0.000 1.004 398 V HN 0.547 nan 8.190 nan 0.000 0.466 399 G N 3.396 112.214 108.800 0.030 0.000 2.561 399 G HA2 -0.279 3.683 3.960 0.003 0.000 0.289 399 G HA3 -0.279 3.683 3.960 0.003 0.000 0.289 399 G C 0.532 175.440 174.900 0.015 0.000 1.169 399 G CA 0.494 45.602 45.100 0.013 0.000 0.980 399 G HN 0.675 nan 8.290 nan 0.000 0.550 400 D N 1.854 122.254 120.400 -0.000 0.000 2.378 400 D HA 0.021 4.663 4.640 0.003 0.000 0.222 400 D C 2.334 178.635 176.300 0.002 0.000 0.980 400 D CA 1.369 55.368 54.000 -0.002 0.000 0.907 400 D CB -0.657 40.134 40.800 -0.016 0.000 0.899 400 D HN 0.635 nan 8.370 nan 0.000 0.527 401 G N 1.239 110.041 108.800 0.003 0.000 2.443 401 G HA2 -0.238 3.724 3.960 0.003 0.000 0.219 401 G HA3 -0.238 3.724 3.960 0.003 0.000 0.219 401 G C 1.449 176.420 174.900 0.118 0.000 1.131 401 G CA 0.142 45.247 45.100 0.008 0.000 0.775 401 G HN 0.280 nan 8.290 nan 0.000 0.547 402 E N 0.691 120.955 120.200 0.105 0.000 2.187 402 E HA -0.197 4.154 4.350 0.003 0.000 0.199 402 E C 2.742 179.386 176.600 0.073 0.000 1.004 402 E CA 0.865 57.322 56.400 0.095 0.000 0.813 402 E CB -0.210 29.521 29.700 0.051 0.000 0.736 402 E HN 0.455 nan 8.360 nan 0.000 0.468 403 A N 0.726 123.582 122.820 0.059 0.000 2.225 403 A HA -0.079 4.242 4.320 0.003 0.000 0.215 403 A C 1.949 179.587 177.584 0.090 0.000 1.164 403 A CA 0.678 52.743 52.037 0.047 0.000 0.710 403 A CB -0.281 18.735 19.000 0.028 0.000 0.780 403 A HN 0.148 nan 8.150 nan 0.000 0.473 404 L N -0.971 120.347 121.223 0.158 0.000 2.585 404 L HA 0.126 4.468 4.340 0.003 0.000 0.226 404 L C 1.770 178.828 176.870 0.314 0.000 1.113 404 L CA -0.025 54.967 54.840 0.252 0.000 0.876 404 L CB -0.153 42.022 42.059 0.193 0.000 1.072 404 L HN 0.360 nan 8.230 nan 0.000 0.468 405 L N 0.293 121.588 121.223 0.121 0.000 2.187 405 L HA -0.231 4.110 4.340 0.003 0.000 0.213 405 L C 2.606 179.417 176.870 -0.098 0.000 1.100 405 L CA 1.118 55.871 54.840 -0.146 0.000 0.765 405 L CB -0.581 41.298 42.059 -0.300 0.000 0.904 405 L HN 0.285 nan 8.230 nan 0.000 0.437 406 K N 0.028 120.386 120.400 -0.070 0.000 2.360 406 K HA -0.209 4.113 4.320 0.003 0.000 0.201 406 K C 1.242 177.742 176.600 -0.166 0.000 1.046 406 K CA 1.491 57.693 56.287 -0.141 0.000 0.940 406 K CB 0.036 32.382 32.500 -0.257 0.000 0.748 406 K HN 0.340 nan 8.250 nan 0.000 0.465 407 Y N -0.447 119.799 120.300 -0.091 0.000 2.467 407 Y HA 0.128 4.680 4.550 0.003 0.000 0.250 407 Y C 0.251 175.666 175.900 -0.808 0.000 1.155 407 Y CA -0.344 57.487 58.100 -0.448 0.000 1.249 407 Y CB 0.938 39.181 38.460 -0.361 0.000 1.146 407 Y HN -0.293 nan 8.280 nan 0.000 0.524 408 V N 1.404 121.167 119.914 -0.252 0.000 2.372 408 V HA -0.029 4.092 4.120 0.003 0.000 0.261 408 V C -0.341 175.717 176.094 -0.059 0.000 1.055 408 V CA -0.335 61.855 62.300 -0.184 0.000 0.930 408 V CB -0.167 31.539 31.823 -0.195 0.000 1.031 408 V HN 0.379 nan 8.190 nan 0.000 0.479 409 W N 5.199 126.561 121.300 0.104 0.000 2.764 409 W HA 0.229 4.891 4.660 0.003 0.000 0.427 409 W C 1.462 177.998 176.519 0.029 0.000 0.896 409 W CA -1.157 56.208 57.345 0.033 0.000 2.307 409 W CB -0.337 29.299 29.460 0.293 0.000 1.192 409 W HN 0.932 nan 8.180 nan 0.000 0.731 410 W N 1.015 122.457 121.300 0.237 0.000 2.392 410 W HA -0.132 4.530 4.660 0.003 0.000 0.279 410 W C 1.010 177.660 176.519 0.219 0.000 1.225 410 W CA 1.499 58.966 57.345 0.203 0.000 1.233 410 W CB -1.598 27.951 29.460 0.148 0.000 1.122 410 W HN 0.046 nan 8.180 nan 0.000 0.561 411 S N 0.668 115.797 115.700 -0.952 0.000 2.679 411 S HA 0.074 4.546 4.470 0.003 0.000 0.233 411 S C 0.487 174.883 174.600 -0.341 0.000 0.951 411 S CA 0.233 57.865 58.200 -0.945 0.000 0.973 411 S CB -1.202 61.093 63.200 -1.507 0.000 0.778 411 S HN 0.360 nan 8.310 nan 0.000 0.477 412 N N 0.315 118.962 118.700 -0.089 0.000 2.756 412 N HA -0.071 4.671 4.740 0.003 0.000 0.248 412 N C -0.122 175.067 175.510 -0.536 0.000 1.062 412 N CA 1.089 54.165 53.050 0.044 0.000 0.696 412 N CB -1.302 37.265 38.487 0.134 0.000 0.946 412 N HN 1.123 nan 8.380 nan 0.000 0.548 413 G N -1.094 107.104 108.800 -1.004 0.000 2.358 413 G HA2 0.328 4.289 3.960 0.003 0.000 0.301 413 G HA3 0.328 4.289 3.960 0.003 0.000 0.301 413 G C -3.270 171.272 174.900 -0.597 0.000 1.539 413 G CA -0.706 43.495 45.100 -1.498 0.000 0.893 413 G HN 0.085 nan 8.290 nan 0.000 0.636 414 P HA 0.116 nan 4.420 nan 0.000 0.261 414 P C 0.627 177.894 177.300 -0.055 0.000 1.173 414 P CA 0.230 63.382 63.100 0.088 0.000 0.760 414 P CB 0.964 32.677 31.700 0.022 0.000 0.783 415 E N 2.630 122.809 120.200 -0.035 0.000 2.267 415 E HA -0.166 4.186 4.350 0.003 0.000 0.197 415 E C 1.185 177.739 176.600 -0.077 0.000 0.998 415 E CA 1.752 58.100 56.400 -0.085 0.000 0.830 415 E CB -0.753 28.870 29.700 -0.128 0.000 0.751 415 E HN 0.475 nan 8.360 nan 0.000 0.491 416 T N -2.461 112.046 114.554 -0.079 0.000 3.194 416 T HA 0.117 4.469 4.350 0.003 0.000 0.251 416 T C 0.408 175.074 174.700 -0.057 0.000 1.132 416 T CA -0.028 62.033 62.100 -0.066 0.000 1.028 416 T CB -0.089 68.741 68.868 -0.064 0.000 0.976 416 T HN 0.046 nan 8.240 nan 0.000 0.535 417 E N 0.244 120.401 120.200 -0.073 0.000 2.378 417 E HA 0.664 5.015 4.350 0.003 0.000 0.265 417 E C -1.046 175.513 176.600 -0.069 0.000 0.932 417 E CA -0.990 55.365 56.400 -0.075 0.000 0.795 417 E CB 2.205 31.841 29.700 -0.106 0.000 1.296 417 E HN 0.077 nan 8.360 nan 0.000 0.438 418 S N 1.423 117.091 115.700 -0.053 0.000 2.600 418 S HA 0.514 4.985 4.470 0.003 0.000 0.300 418 S C -2.570 172.022 174.600 -0.013 0.000 1.087 418 S CA -1.302 56.879 58.200 -0.032 0.000 0.965 418 S CB 1.672 64.853 63.200 -0.033 0.000 1.089 418 S HN 0.364 nan 8.310 nan 0.000 0.496 419 P HA 0.226 nan 4.420 nan 0.000 0.271 419 P C -0.523 176.896 177.300 0.197 0.000 1.216 419 P CA -0.047 63.133 63.100 0.132 0.000 0.776 419 P CB 0.607 32.450 31.700 0.238 0.000 0.881 420 T N -2.049 112.634 114.554 0.214 0.000 2.804 420 T HA 0.322 4.674 4.350 0.003 0.000 0.290 420 T C 1.099 175.965 174.700 0.276 0.000 1.099 420 T CA -0.418 61.822 62.100 0.233 0.000 1.011 420 T CB 0.796 69.730 68.868 0.109 0.000 1.291 420 T HN 0.138 nan 8.240 nan 0.000 0.523 421 V N -1.448 118.620 119.914 0.256 0.000 3.041 421 V HA 0.168 4.290 4.120 0.003 0.000 0.260 421 V C 1.802 178.030 176.094 0.223 0.000 1.105 421 V CA 1.140 63.602 62.300 0.270 0.000 1.125 421 V CB -1.257 30.688 31.823 0.203 0.000 0.730 421 V HN 0.785 nan 8.190 nan 0.000 0.479 422 E N 2.018 122.289 120.200 0.119 0.000 2.299 422 E HA 0.087 4.439 4.350 0.003 0.000 0.193 422 E C 0.773 177.370 176.600 -0.005 0.000 0.998 422 E CA 0.624 57.042 56.400 0.030 0.000 0.851 422 E CB -0.189 29.524 29.700 0.021 0.000 0.795 422 E HN 1.006 nan 8.360 nan 0.000 0.492 423 N N -0.671 118.060 118.700 0.053 0.000 2.592 423 N HA 0.197 4.938 4.740 0.003 0.000 0.292 423 N C -0.046 175.513 175.510 0.082 0.000 1.260 423 N CA -0.653 52.415 53.050 0.031 0.000 0.910 423 N CB 0.725 39.224 38.487 0.020 0.000 1.257 423 N HN -0.355 nan 8.380 nan 0.000 0.569 424 K N -0.560 119.881 120.400 0.067 0.000 2.593 424 K HA 0.136 4.457 4.320 0.003 0.000 0.208 424 K C -0.388 176.268 176.600 0.094 0.000 1.051 424 K CA -0.160 56.198 56.287 0.119 0.000 1.111 424 K CB -0.122 32.437 32.500 0.098 0.000 0.849 424 K HN 0.707 nan 8.250 nan 0.000 0.479 425 Q N 0.551 120.382 119.800 0.051 0.000 2.327 425 Q HA 0.065 4.406 4.340 0.003 0.000 0.254 425 Q C -0.328 175.693 176.000 0.034 0.000 0.952 425 Q CA -0.202 55.595 55.803 -0.011 0.000 0.884 425 Q CB 1.026 29.718 28.738 -0.076 0.000 1.224 425 Q HN 0.270 nan 8.270 nan 0.000 0.422 426 C N 4.073 123.377 119.300 0.006 0.000 2.298 426 C HA 0.021 4.483 4.460 0.003 0.000 0.395 426 C C 1.623 176.692 174.990 0.133 0.000 1.526 426 C CA 0.506 59.574 59.018 0.083 0.000 1.458 426 C CB -1.303 26.468 27.740 0.051 0.000 2.506 426 C HN 0.946 nan 8.230 nan 0.000 0.604 427 A N 4.771 127.675 122.820 0.140 0.000 1.969 427 A HA 0.119 4.441 4.320 0.003 0.000 0.218 427 A C 2.024 179.783 177.584 0.291 0.000 1.169 427 A CA 1.620 53.772 52.037 0.193 0.000 0.635 427 A CB -0.667 18.306 19.000 -0.045 0.000 0.810 427 A HN 1.375 nan 8.150 nan 0.000 0.445 428 G N -0.718 108.248 108.800 0.277 0.000 3.383 428 G HA2 0.135 4.097 3.960 0.003 0.000 0.251 428 G HA3 0.135 4.097 3.960 0.003 0.000 0.251 428 G C 1.053 176.244 174.900 0.486 0.000 1.203 428 G CA 0.494 45.813 45.100 0.365 0.000 0.852 428 G HN 0.564 nan 8.290 nan 0.000 0.531 429 K N 0.845 121.477 120.400 0.386 0.000 1.988 429 K HA -0.187 4.134 4.320 0.003 0.000 0.221 429 K C 1.710 178.586 176.600 0.459 0.000 1.053 429 K CA 1.954 58.484 56.287 0.405 0.000 0.959 429 K CB -0.098 32.482 32.500 0.133 0.000 0.728 429 K HN 0.158 nan 8.250 nan 0.000 0.447 430 D N -0.253 120.338 120.400 0.318 0.000 2.221 430 D HA -0.172 4.469 4.640 0.003 0.000 0.204 430 D C 1.739 178.206 176.300 0.279 0.000 0.982 430 D CA 0.847 55.003 54.000 0.260 0.000 0.857 430 D CB -0.216 40.688 40.800 0.175 0.000 0.934 430 D HN 0.233 nan 8.370 nan 0.000 0.475 431 F N 1.737 121.817 119.950 0.217 0.000 2.075 431 F HA -0.213 4.316 4.527 0.002 0.000 0.297 431 F C 2.348 178.267 175.800 0.199 0.000 1.113 431 F CA 1.361 59.486 58.000 0.209 0.000 1.218 431 F CB -0.424 38.730 39.000 0.256 0.000 0.984 431 F HN -0.112 nan 8.300 nan 0.000 0.472 432 V N -0.905 119.192 119.914 0.305 0.000 2.427 432 V HA -0.161 3.961 4.120 0.003 0.000 0.248 432 V C 2.009 178.077 176.094 -0.044 0.000 1.051 432 V CA 1.984 64.348 62.300 0.108 0.000 1.048 432 V CB -1.090 30.800 31.823 0.112 0.000 0.666 432 V HN 0.188 nan 8.190 nan 0.000 0.456 433 V N 0.181 120.125 119.914 0.051 0.000 2.407 433 V HA -0.176 3.945 4.120 0.003 0.000 0.248 433 V C 2.536 178.543 176.094 -0.145 0.000 1.055 433 V CA 2.354 64.631 62.300 -0.038 0.000 1.049 433 V CB -0.537 31.352 31.823 0.109 0.000 0.662 433 V HN 0.644 nan 8.190 nan 0.000 0.455 434 L N 1.112 122.248 121.223 -0.145 0.000 1.988 434 L HA -0.091 4.250 4.340 0.003 0.000 0.207 434 L C 2.294 178.943 176.870 -0.368 0.000 1.071 434 L CA 2.314 57.018 54.840 -0.227 0.000 0.744 434 L CB -0.675 41.264 42.059 -0.200 0.000 0.893 434 L HN 0.459 nan 8.230 nan 0.000 0.433 435 I N -3.538 116.763 120.570 -0.448 0.000 2.567 435 I HA -0.177 3.994 4.170 0.003 0.000 0.257 435 I C 1.788 177.627 176.117 -0.464 0.000 1.184 435 I CA 1.740 62.684 61.300 -0.593 0.000 1.451 435 I CB -1.025 36.755 38.000 -0.367 0.000 1.089 435 I HN 0.207 nan 8.210 nan 0.000 0.441 436 T N 0.707 115.107 114.554 -0.255 0.000 3.043 436 T HA 0.062 4.414 4.350 0.003 0.000 0.263 436 T C 1.967 176.505 174.700 -0.269 0.000 1.094 436 T CA 0.860 62.816 62.100 -0.241 0.000 1.127 436 T CB -0.072 68.711 68.868 -0.141 0.000 0.905 436 T HN 0.432 nan 8.240 nan 0.000 0.490 437 R N 0.495 120.814 120.500 -0.302 0.000 2.062 437 R HA 0.200 4.542 4.340 0.003 0.000 0.226 437 R C 2.349 178.450 176.300 -0.332 0.000 1.125 437 R CA 0.784 56.725 56.100 -0.264 0.000 0.966 437 R CB -0.424 29.729 30.300 -0.245 0.000 0.861 437 R HN 0.296 nan 8.270 nan 0.000 0.433 438 L N 0.174 121.087 121.223 -0.517 0.000 2.129 438 L HA -0.231 4.111 4.340 0.003 0.000 0.212 438 L C 2.317 178.811 176.870 -0.627 0.000 1.087 438 L CA 1.169 55.595 54.840 -0.690 0.000 0.757 438 L CB -0.505 40.806 42.059 -1.248 0.000 0.896 438 L HN 0.158 nan 8.230 nan 0.000 0.434 439 F N 0.532 119.991 119.950 -0.819 0.000 2.051 439 F HA -0.204 4.325 4.527 0.003 0.000 0.296 439 F C 2.292 177.918 175.800 -0.291 0.000 1.122 439 F CA 1.741 59.409 58.000 -0.554 0.000 1.201 439 F CB -0.477 37.909 39.000 -1.023 0.000 0.978 439 F HN -0.270 nan 8.300 nan 0.000 0.472 440 V N 0.820 120.503 119.914 -0.386 0.000 2.515 440 V HA -0.286 3.835 4.120 0.003 0.000 0.250 440 V C 2.469 178.462 176.094 -0.168 0.000 1.058 440 V CA 1.892 64.010 62.300 -0.303 0.000 1.064 440 V CB -0.613 31.179 31.823 -0.052 0.000 0.675 440 V HN 0.395 nan 8.190 nan 0.000 0.461 441 I N -0.452 120.025 120.570 -0.156 0.000 2.163 441 I HA -0.164 4.008 4.170 0.003 0.000 0.240 441 I C 2.678 178.755 176.117 -0.067 0.000 1.081 441 I CA 1.265 62.517 61.300 -0.079 0.000 1.353 441 I CB -0.387 37.547 38.000 -0.111 0.000 1.054 441 I HN 0.280 nan 8.210 nan 0.000 0.407 442 E N 0.631 120.795 120.200 -0.059 0.000 2.038 442 E HA -0.247 4.104 4.350 0.003 0.000 0.195 442 E C 2.063 178.586 176.600 -0.129 0.000 1.000 442 E CA 1.125 57.569 56.400 0.074 0.000 0.803 442 E CB -0.796 29.121 29.700 0.362 0.000 0.750 442 E HN 0.287 nan 8.360 nan 0.000 0.448 443 L N 0.487 121.492 121.223 -0.364 0.000 1.991 443 L HA -0.225 4.116 4.340 0.003 0.000 0.221 443 L C 2.073 178.537 176.870 -0.676 0.000 1.079 443 L CA 1.930 56.270 54.840 -0.833 0.000 0.778 443 L CB -0.885 40.541 42.059 -1.054 0.000 0.893 443 L HN 0.018 nan 8.230 nan 0.000 0.437 444 F N -0.760 119.058 119.950 -0.219 0.000 2.811 444 F HA 0.141 4.670 4.527 0.002 0.000 0.301 444 F C 2.249 177.972 175.800 -0.127 0.000 1.151 444 F CA 0.297 58.223 58.000 -0.124 0.000 1.412 444 F CB -0.475 38.470 39.000 -0.091 0.000 1.113 444 F HN 0.088 nan 8.300 nan 0.000 0.579 445 R N 0.403 120.881 120.500 -0.037 0.000 2.320 445 R HA 0.109 4.450 4.340 0.003 0.000 0.211 445 R C 1.716 177.937 176.300 -0.133 0.000 0.931 445 R CA 0.361 56.435 56.100 -0.042 0.000 1.071 445 R CB -0.025 30.260 30.300 -0.024 0.000 1.025 445 R HN 0.289 nan 8.270 nan 0.000 0.495 446 R N -1.569 118.760 120.500 -0.285 0.000 2.562 446 R HA 0.108 4.450 4.340 0.003 0.000 0.191 446 R C -0.599 175.357 176.300 -0.574 0.000 0.835 446 R CA 0.117 55.899 56.100 -0.530 0.000 1.036 446 R CB 0.654 30.397 30.300 -0.928 0.000 1.437 446 R HN -0.063 nan 8.270 nan 0.000 0.654 447 Y N 1.073 121.297 120.300 -0.126 0.000 2.352 447 Y HA 0.276 4.828 4.550 0.003 0.000 0.339 447 Y C 0.453 176.441 175.900 0.147 0.000 0.992 447 Y CA -1.212 56.873 58.100 -0.025 0.000 1.100 447 Y CB 1.707 40.104 38.460 -0.105 0.000 1.192 447 Y HN -0.048 nan 8.280 nan 0.000 0.458 448 D N 0.418 121.001 120.400 0.306 0.000 2.269 448 D HA -0.016 4.625 4.640 0.003 0.000 0.208 448 D C 0.468 176.978 176.300 0.351 0.000 0.963 448 D CA 1.050 55.203 54.000 0.255 0.000 0.864 448 D CB 0.575 41.464 40.800 0.149 0.000 0.936 448 D HN 0.393 nan 8.370 nan 0.000 0.505 449 S N -1.706 114.242 115.700 0.414 0.000 2.688 449 S HA 0.457 4.929 4.470 0.003 0.000 0.266 449 S C -2.021 172.819 174.600 0.400 0.000 1.061 449 S CA -0.907 57.588 58.200 0.491 0.000 0.844 449 S CB 0.230 63.559 63.200 0.215 0.000 1.103 449 S HN 0.057 nan 8.310 nan 0.000 0.471 450 F N -0.153 119.959 119.950 0.270 0.000 2.773 450 F HA 0.879 5.408 4.527 0.003 0.000 0.314 450 F C -1.121 174.732 175.800 0.088 0.000 1.160 450 F CA -0.796 57.238 58.000 0.058 0.000 0.920 450 F CB 0.954 39.873 39.000 -0.135 0.000 1.323 450 F HN 0.615 nan 8.300 nan 0.000 0.457 451 E N 1.569 121.954 120.200 0.308 0.000 2.369 451 E HA 0.731 5.083 4.350 0.003 0.000 0.270 451 E C -1.661 175.138 176.600 0.331 0.000 0.909 451 E CA -1.179 55.342 56.400 0.202 0.000 0.775 451 E CB 3.185 33.006 29.700 0.202 0.000 1.270 451 E HN 0.737 nan 8.360 nan 0.000 0.445 452 I N 0.273 120.972 120.570 0.216 0.000 2.908 452 I HA 0.311 4.483 4.170 0.003 0.000 0.300 452 I C -1.877 174.291 176.117 0.086 0.000 1.385 452 I CA -0.702 60.692 61.300 0.158 0.000 1.004 452 I CB 2.159 40.262 38.000 0.172 0.000 1.309 452 I HN 0.735 nan 8.210 nan 0.000 0.449 453 E N 6.580 126.814 120.200 0.057 0.000 2.199 453 E HA 0.571 4.922 4.350 0.003 0.000 0.269 453 E C -0.728 175.883 176.600 0.018 0.000 0.899 453 E CA -0.893 55.526 56.400 0.032 0.000 0.772 453 E CB 2.680 32.400 29.700 0.032 0.000 1.155 453 E HN 0.665 nan 8.360 nan 0.000 0.408 454 L N 2.126 123.347 121.223 -0.002 0.000 2.522 454 L HA 0.479 4.821 4.340 0.003 0.000 0.157 454 L C 0.919 177.793 176.870 0.007 0.000 1.397 454 L CA 0.669 55.503 54.840 -0.010 0.000 2.938 454 L CB -0.399 41.635 42.059 -0.042 0.000 2.913 454 L HN 0.918 nan 8.230 nan 0.000 0.949 455 G N -0.230 108.573 108.800 0.004 0.000 2.326 455 G HA2 0.046 4.007 3.960 0.003 0.000 0.478 455 G HA3 0.046 4.007 3.960 0.003 0.000 0.478 455 G C -1.620 173.290 174.900 0.017 0.000 1.551 455 G CA -0.741 44.368 45.100 0.014 0.000 0.946 455 G HN 0.439 nan 8.290 nan 0.000 0.671 456 E N -0.085 120.129 120.200 0.023 0.000 2.248 456 E HA 0.791 5.142 4.350 0.003 0.000 0.272 456 E C 0.021 176.643 176.600 0.037 0.000 1.008 456 E CA 0.145 56.563 56.400 0.030 0.000 0.856 456 E CB 1.751 31.470 29.700 0.033 0.000 1.120 456 E HN 1.683 nan 8.360 nan 0.000 0.397 457 S N 1.923 117.650 115.700 0.045 0.000 2.597 457 S HA 0.280 4.752 4.470 0.003 0.000 0.274 457 S C -2.350 172.286 174.600 0.061 0.000 1.132 457 S CA -0.828 57.401 58.200 0.049 0.000 0.835 457 S CB 1.315 64.543 63.200 0.047 0.000 1.092 457 S HN 0.506 nan 8.310 nan 0.000 0.457 458 P HA 0.021 nan 4.420 nan 0.000 0.226 458 P C 1.446 178.798 177.300 0.086 0.000 1.153 458 P CA 0.316 63.464 63.100 0.080 0.000 0.777 458 P CB 0.125 31.869 31.700 0.075 0.000 0.794 459 L N -1.357 119.910 121.223 0.073 0.000 2.072 459 L HA 0.042 4.384 4.340 0.003 0.000 0.205 459 L C 1.677 178.597 176.870 0.083 0.000 1.079 459 L CA 2.001 56.884 54.840 0.071 0.000 0.752 459 L CB -0.450 41.641 42.059 0.054 0.000 0.906 459 L HN 0.207 nan 8.230 nan 0.000 0.436 460 G N -2.189 106.658 108.800 0.078 0.000 3.714 460 G HA2 -0.178 3.784 3.960 0.003 0.000 0.146 460 G HA3 -0.178 3.784 3.960 0.003 0.000 0.146 460 G C 0.846 175.778 174.900 0.052 0.000 2.286 460 G CA 0.263 45.412 45.100 0.081 0.000 1.218 460 G HN 0.367 nan 8.290 nan 0.000 0.362 461 A N 0.352 123.200 122.820 0.047 0.000 1.924 461 A HA 0.739 5.061 4.320 0.003 0.000 0.211 461 A C 1.993 179.596 177.584 0.033 0.000 1.198 461 A CA 2.257 54.304 52.037 0.017 0.000 0.657 461 A CB -0.597 18.409 19.000 0.008 0.000 0.852 461 A HN 2.539 nan 8.150 nan 0.000 0.454 462 A N -0.617 122.241 122.820 0.063 0.000 2.303 462 A HA -0.020 4.301 4.320 0.003 0.000 0.286 462 A C 0.134 177.759 177.584 0.069 0.000 1.429 462 A CA 0.577 52.653 52.037 0.065 0.000 0.738 462 A CB -2.380 16.647 19.000 0.044 0.000 1.149 462 A HN 0.928 nan 8.150 nan 0.000 0.364 463 V N 1.511 121.494 119.914 0.115 0.000 2.567 463 V HA 0.691 4.813 4.120 0.003 0.000 0.289 463 V C 0.773 176.947 176.094 0.134 0.000 1.049 463 V CA 0.355 62.719 62.300 0.106 0.000 0.969 463 V CB 1.802 33.681 31.823 0.094 0.000 0.995 463 V HN 0.780 nan 8.190 nan 0.000 0.471 464 T N 5.575 120.177 114.554 0.080 0.000 2.881 464 T HA 0.587 4.939 4.350 0.003 0.000 0.290 464 T C -0.478 174.247 174.700 0.042 0.000 1.000 464 T CA -0.427 61.715 62.100 0.070 0.000 0.978 464 T CB 1.274 70.166 68.868 0.040 0.000 0.997 464 T HN 0.347 nan 8.240 nan 0.000 0.443 465 L N 2.368 123.607 121.223 0.028 0.000 2.399 465 L HA 0.546 4.888 4.340 0.003 0.000 0.266 465 L C 1.491 178.331 176.870 -0.051 0.000 1.114 465 L CA -0.461 54.375 54.840 -0.006 0.000 0.804 465 L CB 1.230 43.255 42.059 -0.056 0.000 1.146 465 L HN 0.933 nan 8.230 nan 0.000 0.451 466 T N -3.076 111.438 114.554 -0.067 0.000 3.028 466 T HA 0.342 4.694 4.350 0.003 0.000 0.262 466 T C -0.032 174.265 174.700 -0.672 0.000 0.916 466 T CA -0.078 61.837 62.100 -0.307 0.000 0.873 466 T CB 0.189 68.916 68.868 -0.236 0.000 1.232 466 T HN 0.185 nan 8.240 nan 0.000 0.529 467 F N 0.601 120.547 119.950 -0.007 0.000 2.608 467 F HA 0.709 5.238 4.527 0.002 0.000 0.309 467 F C -1.522 174.245 175.800 -0.056 0.000 1.103 467 F CA -1.348 56.641 58.000 -0.019 0.000 0.954 467 F CB 2.365 41.361 39.000 -0.008 0.000 1.267 467 F HN -0.169 nan 8.300 nan 0.000 0.444 468 L N 2.976 124.254 121.223 0.091 0.000 2.457 468 L HA 0.289 4.631 4.340 0.003 0.000 0.259 468 L C -0.225 176.685 176.870 0.066 0.000 1.377 468 L CA -0.312 54.452 54.840 -0.126 0.000 0.887 468 L CB 1.240 43.001 42.059 -0.497 0.000 1.085 468 L HN 0.439 nan 8.230 nan 0.000 0.509 469 K N 1.520 122.011 120.400 0.151 0.000 2.469 469 K HA 0.296 4.618 4.320 0.003 0.000 0.274 469 K C 0.115 176.899 176.600 0.307 0.000 0.983 469 K CA 0.315 56.715 56.287 0.189 0.000 0.974 469 K CB 0.668 33.259 32.500 0.151 0.000 0.913 469 K HN 0.392 nan 8.250 nan 0.000 0.493 470 R N 1.106 121.741 120.500 0.224 0.000 2.943 470 R HA 0.434 4.776 4.340 0.003 0.000 0.246 470 R C 0.266 176.618 176.300 0.087 0.000 1.201 470 R CA -0.716 55.489 56.100 0.175 0.000 1.056 470 R CB 1.136 31.507 30.300 0.118 0.000 1.243 470 R HN 0.697 nan 8.270 nan 0.000 0.498 471 A N 0.726 123.561 122.820 0.025 0.000 3.289 471 A HA 0.141 4.462 4.320 0.003 0.000 0.157 471 A C 0.554 178.150 177.584 0.020 0.000 1.293 471 A CA 1.153 53.201 52.037 0.018 0.000 0.896 471 A CB -0.739 18.253 19.000 -0.014 0.000 0.998 471 A HN 0.726 nan 8.150 nan 0.000 0.519 472 S N 0.000 115.705 115.700 0.008 0.000 2.498 472 S HA 0.000 4.472 4.470 0.003 0.000 0.327 472 S CA 0.000 58.206 58.200 0.010 0.000 1.107 472 S CB 0.000 63.208 63.200 0.014 0.000 0.593 472 S HN 0.000 nan 8.310 nan 0.000 0.517