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 1wp1_1_B DATA FIRST_RESID 1 DATA SEQUENCE CSLIPDYQRP EAPVAAAYPQ GQAYGQNTGA AAVPAADIGW REFFRDPQLQ DATA SEQUENCE QLIGVALENN RDLRVAALNV EAFRAQYRIQ RADLFPRIGV DXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XTAWELDLFG RLRSLRDQAL EQYLATEQAQ DATA SEQUENCE RSAQTTLVAS VATAYLTLKA DQAQLQLTKD TLGTYQKSFD LTQRSYDVGV DATA SEQUENCE ASALDLRQAQ TAVEGARATL AQYTRLVAQD QNALVLLLGS GIPANLPQGL DATA SEQUENCE GLDQTLLTEV PAGLPSDLLQ RRPDILEAEH QLMAANASIG AARAAFFPSI DATA SEQUENCE SLTXXXXXXX XXXXXXXXXX XXSWLFQPSI NLPIFXXXSL RASLDYAKIQ DATA SEQUENCE KDINVAQYEK AIQTAFQEVA DGLAARGTFT EQLQAQRDLV KASDEYYQLA DATA SEQUENCE DKRYRTGVDN YLTLLDAQRS LFTAQQQLIT DRLNQLTSEV NLYKALGGGW DATA SEQUENCE NQQTVTQ 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 1 C HA 0.000 nan 4.460 nan 0.000 0.325 1 C C 0.000 175.197 174.990 0.345 0.000 1.270 1 C CA 0.000 59.196 59.018 0.297 0.000 1.963 1 C CB 0.000 27.810 27.740 0.116 0.000 2.134 2 S N 1.849 117.699 115.700 0.250 0.000 2.614 2 S HA 0.625 5.095 4.470 -0.000 0.000 0.259 2 S C -1.178 173.518 174.600 0.159 0.000 1.118 2 S CA -0.406 57.919 58.200 0.209 0.000 1.065 2 S CB 0.358 63.636 63.200 0.131 0.000 1.121 2 S HN 1.080 nan 8.310 nan 0.000 0.458 3 L N 1.056 122.375 121.223 0.160 0.000 2.298 3 L HA 0.899 5.238 4.340 -0.000 0.000 0.284 3 L C -1.057 175.860 176.870 0.078 0.000 1.013 3 L CA -0.900 54.009 54.840 0.116 0.000 0.824 3 L CB 0.525 42.655 42.059 0.118 0.000 1.221 3 L HN 0.628 nan 8.230 nan 0.000 0.418 4 I N 2.909 123.518 120.570 0.065 0.000 2.534 4 I HA 0.455 4.625 4.170 -0.000 0.000 0.286 4 I C -2.248 173.898 176.117 0.048 0.000 1.094 4 I CA -1.648 59.684 61.300 0.054 0.000 1.055 4 I CB 1.862 39.896 38.000 0.057 0.000 1.225 4 I HN 0.451 nan 8.210 nan 0.000 0.435 5 P HA 0.078 nan 4.420 nan 0.000 0.266 5 P C -0.884 176.449 177.300 0.055 0.000 1.195 5 P CA -0.194 62.929 63.100 0.039 0.000 0.768 5 P CB 0.277 31.995 31.700 0.031 0.000 0.838 6 D N 1.979 122.407 120.400 0.046 0.000 2.458 6 D HA -0.123 4.517 4.640 -0.000 0.000 0.243 6 D C -0.460 175.891 176.300 0.084 0.000 1.146 6 D CA -0.205 53.829 54.000 0.057 0.000 0.877 6 D CB 0.083 40.897 40.800 0.024 0.000 1.176 6 D HN 0.276 nan 8.370 nan 0.000 0.461 7 Y N 2.453 122.736 120.300 -0.029 0.000 2.650 7 Y HA 0.101 4.651 4.550 -0.000 0.000 0.342 7 Y C -0.237 175.627 175.900 -0.060 0.000 1.110 7 Y CA -0.571 57.499 58.100 -0.050 0.000 1.438 7 Y CB 0.081 38.507 38.460 -0.058 0.000 1.181 7 Y HN 0.336 nan 8.280 nan 0.000 0.526 8 Q N 5.917 125.529 119.800 -0.314 0.000 2.431 8 Q HA 0.370 4.710 4.340 -0.000 0.000 0.249 8 Q C -0.553 175.096 176.000 -0.585 0.000 1.025 8 Q CA -0.661 54.893 55.803 -0.414 0.000 0.835 8 Q CB 1.141 29.772 28.738 -0.179 0.000 1.207 8 Q HN 0.635 nan 8.270 nan 0.000 0.490 9 R N 3.459 123.428 120.500 -0.885 0.000 2.370 9 R HA 0.228 4.568 4.340 -0.000 0.000 0.309 9 R C -2.057 174.095 176.300 -0.247 0.000 1.059 9 R CA -1.261 54.481 56.100 -0.596 0.000 0.981 9 R CB 0.335 30.314 30.300 -0.535 0.000 0.972 9 R HN 0.466 nan 8.270 nan 0.000 0.437 10 P HA 0.029 nan 4.420 nan 0.000 0.273 10 P C -0.930 176.395 177.300 0.041 0.000 1.250 10 P CA -0.301 62.794 63.100 -0.008 0.000 0.793 10 P CB 0.529 32.270 31.700 0.069 0.000 1.011 11 E N -0.171 120.038 120.200 0.015 0.000 2.373 11 E HA 0.336 4.686 4.350 -0.000 0.000 0.267 11 E C -0.162 176.449 176.600 0.020 0.000 1.032 11 E CA -0.541 55.863 56.400 0.007 0.000 0.889 11 E CB 0.570 30.258 29.700 -0.019 0.000 0.984 11 E HN 0.448 nan 8.360 nan 0.000 0.425 12 A N 4.848 127.669 122.820 0.002 0.000 2.484 12 A HA 0.125 4.445 4.320 -0.000 0.000 0.268 12 A C -1.622 175.917 177.584 -0.075 0.000 1.114 12 A CA -1.035 50.979 52.037 -0.039 0.000 0.780 12 A CB -0.125 18.848 19.000 -0.046 0.000 1.061 12 A HN 0.431 nan 8.150 nan 0.000 0.505 13 P HA -0.013 nan 4.420 nan 0.000 0.230 13 P C 0.429 177.622 177.300 -0.178 0.000 1.158 13 P CA 0.770 63.805 63.100 -0.109 0.000 0.769 13 P CB -0.485 31.160 31.700 -0.092 0.000 0.807 14 V N -3.194 116.575 119.914 -0.242 0.000 2.953 14 V HA 0.670 4.790 4.120 -0.000 0.000 0.304 14 V C 0.468 176.317 176.094 -0.408 0.000 1.073 14 V CA -1.707 60.317 62.300 -0.461 0.000 1.064 14 V CB 0.104 31.546 31.823 -0.635 0.000 1.047 14 V HN 0.062 nan 8.190 nan 0.000 0.478 15 A N 2.258 124.744 122.820 -0.557 0.000 2.466 15 A HA 0.590 4.910 4.320 -0.000 0.000 0.238 15 A C 1.654 179.159 177.584 -0.131 0.000 1.074 15 A CA 0.330 52.204 52.037 -0.271 0.000 0.774 15 A CB -0.098 18.786 19.000 -0.194 0.000 1.015 15 A HN 1.923 nan 8.150 nan 0.000 0.498 16 A N 1.606 124.373 122.820 -0.088 0.000 1.865 16 A HA 0.293 4.613 4.320 -0.000 0.000 0.217 16 A C 1.454 178.986 177.584 -0.087 0.000 1.191 16 A CA 1.996 53.988 52.037 -0.075 0.000 0.623 16 A CB -0.788 18.176 19.000 -0.059 0.000 0.826 16 A HN 2.009 nan 8.150 nan 0.000 0.444 17 A N -2.263 120.523 122.820 -0.056 0.000 2.311 17 A HA 0.639 4.959 4.320 -0.000 0.000 0.334 17 A C -0.549 177.024 177.584 -0.019 0.000 1.139 17 A CA -0.728 51.259 52.037 -0.084 0.000 0.830 17 A CB 0.256 19.232 19.000 -0.039 0.000 1.234 17 A HN 0.347 nan 8.150 nan 0.000 0.483 18 Y N 0.843 121.133 120.300 -0.017 0.000 2.457 18 Y HA 0.249 4.799 4.550 -0.000 0.000 0.341 18 Y C -1.641 174.125 175.900 -0.223 0.000 1.240 18 Y CA -1.137 56.847 58.100 -0.192 0.000 1.437 18 Y CB 0.236 38.499 38.460 -0.327 0.000 1.328 18 Y HN 0.460 nan 8.280 nan 0.000 0.588 19 P HA 0.023 nan 4.420 nan 0.000 0.270 19 P C -0.944 176.013 177.300 -0.573 0.000 1.223 19 P CA -0.086 62.824 63.100 -0.315 0.000 0.785 19 P CB 0.610 32.108 31.700 -0.337 0.000 0.923 20 Q N 0.157 119.837 119.800 -0.199 0.000 2.445 20 Q HA 0.752 5.091 4.340 -0.000 0.000 0.281 20 Q C 0.136 176.300 176.000 0.274 0.000 1.101 20 Q CA -0.569 55.244 55.803 0.017 0.000 0.833 20 Q CB 2.451 31.209 28.738 0.033 0.000 1.416 20 Q HN 0.775 nan 8.270 nan 0.000 0.451 21 G N 0.126 109.113 108.800 0.313 0.000 2.346 21 G HA2 -0.134 3.825 3.960 -0.000 0.000 0.294 21 G HA3 -0.134 3.825 3.960 -0.000 0.000 0.294 21 G C -0.015 174.964 174.900 0.132 0.000 1.294 21 G CA -0.635 44.589 45.100 0.207 0.000 0.962 21 G HN 0.350 nan 8.290 nan 0.000 0.508 22 Q N -0.729 119.096 119.800 0.041 0.000 2.268 22 Q HA -0.142 4.198 4.340 -0.000 0.000 0.210 22 Q C 2.509 178.449 176.000 -0.100 0.000 0.988 22 Q CA 2.316 58.106 55.803 -0.021 0.000 0.883 22 Q CB -0.422 28.297 28.738 -0.031 0.000 0.911 22 Q HN 1.169 nan 8.270 nan 0.000 0.430 23 A N -1.275 121.405 122.820 -0.234 0.000 2.387 23 A HA 0.193 4.513 4.320 -0.000 0.000 0.234 23 A C -0.387 176.851 177.584 -0.576 0.000 1.253 23 A CA -0.254 51.519 52.037 -0.440 0.000 0.894 23 A CB 0.230 18.887 19.000 -0.572 0.000 0.963 23 A HN 0.169 nan 8.150 nan 0.000 0.508 24 Y N -0.637 119.655 120.300 -0.014 0.000 2.361 24 Y HA 0.537 5.087 4.550 -0.000 0.000 0.337 24 Y C 1.106 177.006 175.900 0.001 0.000 0.965 24 Y CA -0.983 57.112 58.100 -0.008 0.000 1.091 24 Y CB 1.352 39.814 38.460 0.003 0.000 1.182 24 Y HN 0.176 nan 8.280 nan 0.000 0.450 25 G N 2.542 111.431 108.800 0.148 0.000 2.647 25 G HA2 0.056 4.016 3.960 -0.000 0.000 0.234 25 G HA3 0.056 4.016 3.960 -0.000 0.000 0.234 25 G C -0.188 174.782 174.900 0.117 0.000 1.252 25 G CA -0.601 44.561 45.100 0.105 0.000 0.846 25 G HN 0.507 nan 8.290 nan 0.000 0.589 26 Q N 0.119 119.966 119.800 0.079 0.000 2.479 26 Q HA 0.001 4.341 4.340 -0.000 0.000 0.267 26 Q C 0.229 176.262 176.000 0.056 0.000 1.071 26 Q CA 0.030 55.870 55.803 0.062 0.000 0.935 26 Q CB 0.326 29.091 28.738 0.046 0.000 1.295 26 Q HN 0.489 nan 8.270 nan 0.000 0.476 27 N N 0.460 119.187 118.700 0.044 0.000 2.520 27 N HA 0.037 4.777 4.740 -0.000 0.000 0.273 27 N C 0.711 176.247 175.510 0.043 0.000 1.155 27 N CA 0.186 53.263 53.050 0.046 0.000 0.967 27 N CB 0.886 39.396 38.487 0.037 0.000 1.092 27 N HN 0.400 nan 8.380 nan 0.000 0.457 28 T N 0.700 115.286 114.554 0.053 0.000 2.904 28 T HA 0.126 4.476 4.350 -0.000 0.000 0.267 28 T C 0.935 175.657 174.700 0.036 0.000 1.059 28 T CA 0.991 63.118 62.100 0.045 0.000 1.137 28 T CB -0.403 68.496 68.868 0.052 0.000 0.879 28 T HN 0.857 nan 8.240 nan 0.000 0.467 29 G N 0.830 109.651 108.800 0.035 0.000 2.615 29 G HA2 0.114 4.074 3.960 -0.000 0.000 0.218 29 G HA3 0.114 4.074 3.960 -0.000 0.000 0.218 29 G C -0.107 174.807 174.900 0.023 0.000 1.339 29 G CA -0.597 44.515 45.100 0.020 0.000 0.884 29 G HN 0.755 nan 8.290 nan 0.000 0.559 30 A N -0.313 122.516 122.820 0.015 0.000 2.388 30 A HA 0.831 5.150 4.320 -0.000 0.000 0.257 30 A C 0.819 178.415 177.584 0.021 0.000 1.095 30 A CA 1.209 53.255 52.037 0.015 0.000 0.791 30 A CB 0.519 19.524 19.000 0.008 0.000 1.029 30 A HN 2.506 nan 8.150 nan 0.000 0.489 31 A N 1.667 124.501 122.820 0.024 0.000 2.274 31 A HA 0.594 4.914 4.320 -0.000 0.000 0.309 31 A C 1.262 178.858 177.584 0.020 0.000 1.226 31 A CA 0.089 52.141 52.037 0.024 0.000 0.853 31 A CB 0.260 19.277 19.000 0.029 0.000 1.146 31 A HN 1.909 nan 8.150 nan 0.000 0.518 32 A N 2.546 125.377 122.820 0.018 0.000 1.849 32 A HA 0.012 4.332 4.320 -0.000 0.000 0.217 32 A C 1.232 178.827 177.584 0.018 0.000 1.202 32 A CA 2.148 54.195 52.037 0.016 0.000 0.629 32 A CB -0.783 18.225 19.000 0.014 0.000 0.834 32 A HN 1.783 nan 8.150 nan 0.000 0.447 33 V N 2.308 122.234 119.914 0.020 0.000 2.313 33 V HA 0.440 4.560 4.120 -0.000 0.000 0.278 33 V C -2.544 173.566 176.094 0.026 0.000 1.017 33 V CA -2.649 59.665 62.300 0.023 0.000 0.823 33 V CB 1.145 32.981 31.823 0.023 0.000 1.010 33 V HN 0.382 nan 8.190 nan 0.000 0.443 34 P HA 0.186 nan 4.420 nan 0.000 0.271 34 P C 0.821 178.138 177.300 0.029 0.000 1.233 34 P CA 0.282 63.397 63.100 0.026 0.000 0.789 34 P CB 1.101 32.814 31.700 0.023 0.000 0.951 35 A N 1.964 124.796 122.820 0.020 0.000 1.883 35 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 35 A C 2.208 179.807 177.584 0.025 0.000 1.186 35 A CA 2.353 54.404 52.037 0.023 0.000 0.624 35 A CB -1.728 17.265 19.000 -0.012 0.000 0.822 35 A HN 0.600 nan 8.150 nan 0.000 0.444 36 A N -0.945 121.863 122.820 -0.021 0.000 2.225 36 A HA -0.071 4.249 4.320 -0.000 0.000 0.215 36 A C 1.381 178.993 177.584 0.048 0.000 1.164 36 A CA 1.648 53.665 52.037 -0.033 0.000 0.710 36 A CB -0.366 18.612 19.000 -0.037 0.000 0.780 36 A HN 0.456 nan 8.150 nan 0.000 0.473 37 D N -0.807 119.632 120.400 0.065 0.000 2.366 37 D HA 0.183 4.823 4.640 -0.000 0.000 0.205 37 D C 0.333 176.690 176.300 0.094 0.000 1.022 37 D CA 0.048 54.097 54.000 0.082 0.000 0.868 37 D CB 0.093 40.927 40.800 0.057 0.000 0.953 37 D HN 0.430 nan 8.370 nan 0.000 0.514 38 I N 1.257 121.898 120.570 0.118 0.000 2.556 38 I HA 0.152 4.322 4.170 -0.000 0.000 0.284 38 I C 1.337 177.555 176.117 0.169 0.000 1.114 38 I CA -0.165 61.206 61.300 0.117 0.000 1.418 38 I CB 1.103 39.163 38.000 0.101 0.000 1.394 38 I HN -0.149 nan 8.210 nan 0.000 0.552 39 G N 6.602 115.442 108.800 0.067 0.000 2.432 39 G HA2 0.010 3.969 3.960 -0.000 0.000 0.257 39 G HA3 0.010 3.969 3.960 -0.000 0.000 0.257 39 G C 0.740 175.696 174.900 0.094 0.000 1.238 39 G CA -0.532 44.567 45.100 -0.001 0.000 0.838 39 G HN 1.007 nan 8.290 nan 0.000 0.547 40 W N 2.208 123.638 121.300 0.217 0.000 2.632 40 W HA 0.009 4.669 4.660 -0.000 0.000 0.248 40 W C 0.924 177.601 176.519 0.265 0.000 1.259 40 W CA -0.317 57.213 57.345 0.307 0.000 1.288 40 W CB -0.243 29.496 29.460 0.465 0.000 1.136 40 W HN 0.438 nan 8.180 nan 0.000 0.640 41 R N 0.933 121.359 120.500 -0.125 0.000 2.297 41 R HA 0.018 4.358 4.340 -0.000 0.000 0.197 41 R C 1.664 177.949 176.300 -0.024 0.000 0.943 41 R CA 0.678 56.709 56.100 -0.115 0.000 1.038 41 R CB 0.108 30.181 30.300 -0.378 0.000 0.957 41 R HN 0.414 nan 8.270 nan 0.000 0.484 42 E N -0.458 119.736 120.200 -0.010 0.000 2.256 42 E HA -0.029 4.321 4.350 -0.000 0.000 0.198 42 E C 1.320 177.905 176.600 -0.024 0.000 0.908 42 E CA -0.075 56.316 56.400 -0.016 0.000 0.915 42 E CB 0.062 29.749 29.700 -0.021 0.000 0.890 42 E HN 0.044 nan 8.360 nan 0.000 0.484 43 F N 1.042 120.823 119.950 -0.281 0.000 2.134 43 F HA -0.010 4.516 4.527 -0.000 0.000 0.299 43 F C 0.232 175.725 175.800 -0.510 0.000 1.097 43 F CA 1.100 58.756 58.000 -0.573 0.000 1.264 43 F CB -0.052 38.222 39.000 -1.210 0.000 1.001 43 F HN -0.146 nan 8.300 nan 0.000 0.479 44 F N 1.812 121.635 119.950 -0.212 0.000 2.335 44 F HA 0.341 4.868 4.527 -0.000 0.000 0.365 44 F C 1.337 177.055 175.800 -0.137 0.000 1.122 44 F CA -0.609 57.232 58.000 -0.264 0.000 1.151 44 F CB 0.577 39.512 39.000 -0.107 0.000 1.282 44 F HN -0.223 nan 8.300 nan 0.000 0.513 45 R N 0.370 120.863 120.500 -0.011 0.000 2.285 45 R HA -0.091 4.249 4.340 -0.000 0.000 0.213 45 R C 0.143 176.455 176.300 0.020 0.000 1.068 45 R CA 0.506 56.602 56.100 -0.006 0.000 1.004 45 R CB -0.115 30.162 30.300 -0.038 0.000 0.873 45 R HN 0.528 nan 8.270 nan 0.000 0.467 46 D N 1.246 121.669 120.400 0.039 0.000 2.339 46 D HA 0.080 4.720 4.640 -0.000 0.000 0.241 46 D C -1.818 174.471 176.300 -0.018 0.000 1.183 46 D CA -2.258 51.752 54.000 0.017 0.000 0.859 46 D CB 1.677 42.496 40.800 0.031 0.000 1.067 46 D HN -0.134 nan 8.370 nan 0.000 0.484 47 P HA -0.186 nan 4.420 nan 0.000 0.216 47 P C 1.269 178.541 177.300 -0.047 0.000 1.153 47 P CA 1.181 64.274 63.100 -0.011 0.000 0.858 47 P CB 0.258 31.957 31.700 -0.002 0.000 0.789 48 Q N -0.982 118.775 119.800 -0.071 0.000 2.123 48 Q HA -0.144 4.195 4.340 -0.000 0.000 0.199 48 Q C 1.978 177.780 176.000 -0.331 0.000 0.966 48 Q CA 0.929 56.661 55.803 -0.120 0.000 0.845 48 Q CB -0.655 28.076 28.738 -0.011 0.000 0.907 48 Q HN 0.037 nan 8.270 nan 0.000 0.439 49 L N 1.147 122.051 121.223 -0.532 0.000 2.046 49 L HA -0.205 4.134 4.340 -0.000 0.000 0.208 49 L C 2.084 178.735 176.870 -0.364 0.000 1.077 49 L CA 1.867 56.269 54.840 -0.730 0.000 0.747 49 L CB -0.707 40.907 42.059 -0.742 0.000 0.896 49 L HN 0.308 nan 8.230 nan 0.000 0.432 50 Q N -1.194 118.531 119.800 -0.125 0.000 2.030 50 Q HA -0.244 4.096 4.340 -0.000 0.000 0.204 50 Q C 2.096 178.154 176.000 0.096 0.000 0.986 50 Q CA 1.808 57.687 55.803 0.127 0.000 0.843 50 Q CB -0.228 28.611 28.738 0.169 0.000 0.904 50 Q HN 0.558 nan 8.270 nan 0.000 0.420 51 Q N 0.289 120.089 119.800 -0.000 0.000 2.170 51 Q HA -0.113 4.226 4.340 -0.000 0.000 0.203 51 Q C 2.136 178.096 176.000 -0.065 0.000 0.976 51 Q CA 1.102 56.901 55.803 -0.007 0.000 0.858 51 Q CB -0.160 28.566 28.738 -0.020 0.000 0.907 51 Q HN 0.432 nan 8.270 nan 0.000 0.433 52 L N -0.360 120.772 121.223 -0.151 0.000 2.095 52 L HA -0.081 4.259 4.340 -0.000 0.000 0.204 52 L C 2.344 179.076 176.870 -0.229 0.000 1.080 52 L CA 0.489 55.219 54.840 -0.182 0.000 0.759 52 L CB -0.378 41.540 42.059 -0.235 0.000 0.914 52 L HN 0.105 nan 8.230 nan 0.000 0.439 53 I N 0.127 120.496 120.570 -0.335 0.000 2.118 53 I HA -0.269 3.900 4.170 -0.000 0.000 0.241 53 I C 2.664 178.519 176.117 -0.436 0.000 1.070 53 I CA 1.692 62.686 61.300 -0.510 0.000 1.327 53 I CB -1.008 36.462 38.000 -0.884 0.000 1.034 53 I HN 0.295 nan 8.210 nan 0.000 0.405 54 G N 0.426 109.074 108.800 -0.254 0.000 2.476 54 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.218 54 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.218 54 G C 1.733 176.598 174.900 -0.058 0.000 1.164 54 G CA 1.104 46.188 45.100 -0.027 0.000 0.768 54 G HN 0.264 nan 8.290 nan 0.000 0.560 55 V N 1.390 121.262 119.914 -0.070 0.000 2.392 55 V HA -0.170 3.950 4.120 -0.000 0.000 0.249 55 V C 3.288 179.339 176.094 -0.072 0.000 1.059 55 V CA 2.193 64.459 62.300 -0.057 0.000 1.051 55 V CB -0.696 31.093 31.823 -0.057 0.000 0.658 55 V HN 0.513 nan 8.190 nan 0.000 0.455 56 A N -0.551 122.199 122.820 -0.116 0.000 1.929 56 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 56 A C 2.144 179.668 177.584 -0.100 0.000 1.176 56 A CA 1.317 53.287 52.037 -0.112 0.000 0.628 56 A CB -0.394 18.515 19.000 -0.151 0.000 0.816 56 A HN 0.516 nan 8.150 nan 0.000 0.444 57 L N -0.428 120.721 121.223 -0.123 0.000 2.083 57 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 57 L C 2.148 178.994 176.870 -0.040 0.000 1.083 57 L CA 1.549 56.337 54.840 -0.087 0.000 0.752 57 L CB -0.630 41.371 42.059 -0.097 0.000 0.899 57 L HN 0.449 nan 8.230 nan 0.000 0.433 58 E N -0.360 119.820 120.200 -0.033 0.000 2.502 58 E HA -0.026 4.324 4.350 -0.000 0.000 0.194 58 E C 0.887 177.480 176.600 -0.013 0.000 1.062 58 E CA 0.203 56.595 56.400 -0.013 0.000 0.867 58 E CB 0.143 29.840 29.700 -0.006 0.000 0.888 58 E HN 0.527 nan 8.360 nan 0.000 0.510 59 N N 0.093 118.780 118.700 -0.023 0.000 2.104 59 N HA -0.033 4.707 4.740 -0.000 0.000 0.227 59 N C -0.020 175.481 175.510 -0.016 0.000 1.321 59 N CA -0.087 52.952 53.050 -0.017 0.000 0.877 59 N CB 0.483 38.958 38.487 -0.020 0.000 1.117 59 N HN 0.035 nan 8.380 nan 0.000 0.486 60 N N 2.344 121.030 118.700 -0.024 0.000 2.454 60 N HA 0.012 4.752 4.740 -0.000 0.000 0.260 60 N C 0.887 176.394 175.510 -0.006 0.000 1.218 60 N CA 0.286 53.325 53.050 -0.020 0.000 0.904 60 N CB 0.843 39.312 38.487 -0.030 0.000 1.065 60 N HN 0.099 nan 8.380 nan 0.000 0.462 61 R N 2.542 123.041 120.500 -0.001 0.000 2.140 61 R HA -0.008 4.332 4.340 -0.000 0.000 0.213 61 R C 0.716 177.023 176.300 0.012 0.000 1.059 61 R CA 0.486 56.590 56.100 0.007 0.000 1.000 61 R CB -0.116 30.188 30.300 0.007 0.000 0.910 61 R HN 0.618 nan 8.270 nan 0.000 0.455 62 D N 1.459 121.864 120.400 0.008 0.000 2.149 62 D HA -0.157 4.483 4.640 -0.000 0.000 0.198 62 D C 1.948 178.259 176.300 0.018 0.000 0.990 62 D CA 0.881 54.889 54.000 0.013 0.000 0.839 62 D CB -0.079 40.726 40.800 0.008 0.000 0.948 62 D HN 0.069 nan 8.370 nan 0.000 0.460 63 L N 0.876 122.108 121.223 0.015 0.000 2.044 63 L HA -0.046 4.293 4.340 -0.000 0.000 0.205 63 L C 2.338 179.229 176.870 0.035 0.000 1.075 63 L CA 1.403 56.258 54.840 0.026 0.000 0.747 63 L CB -0.193 41.876 42.059 0.016 0.000 0.903 63 L HN -0.196 nan 8.230 nan 0.000 0.435 64 R N -0.932 119.586 120.500 0.029 0.000 2.103 64 R HA -0.186 4.153 4.340 -0.000 0.000 0.242 64 R C 2.150 178.475 176.300 0.040 0.000 1.142 64 R CA 1.840 57.961 56.100 0.034 0.000 0.960 64 R CB -0.688 29.628 30.300 0.026 0.000 0.858 64 R HN 0.326 nan 8.270 nan 0.000 0.439 65 V N 0.745 120.680 119.914 0.036 0.000 2.252 65 V HA -0.304 3.816 4.120 -0.000 0.000 0.249 65 V C 2.402 178.525 176.094 0.048 0.000 1.056 65 V CA 2.116 64.441 62.300 0.042 0.000 1.022 65 V CB -0.745 31.100 31.823 0.036 0.000 0.641 65 V HN 0.478 nan 8.190 nan 0.000 0.445 66 A N -0.570 122.273 122.820 0.038 0.000 2.019 66 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 66 A C 2.324 179.928 177.584 0.033 0.000 1.164 66 A CA 2.024 54.077 52.037 0.027 0.000 0.644 66 A CB -0.573 18.437 19.000 0.017 0.000 0.805 66 A HN 0.605 nan 8.150 nan 0.000 0.449 67 A N -0.180 122.672 122.820 0.053 0.000 1.898 67 A HA 0.093 4.412 4.320 -0.000 0.000 0.214 67 A C 2.039 179.668 177.584 0.075 0.000 1.183 67 A CA 1.156 53.232 52.037 0.066 0.000 0.622 67 A CB -0.522 18.524 19.000 0.075 0.000 0.824 67 A HN 0.446 nan 8.150 nan 0.000 0.444 68 L N -0.186 121.081 121.223 0.074 0.000 2.191 68 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 68 L C 2.161 179.102 176.870 0.119 0.000 1.103 68 L CA 1.167 56.057 54.840 0.085 0.000 0.769 68 L CB -0.694 41.406 42.059 0.068 0.000 0.908 68 L HN 0.358 nan 8.230 nan 0.000 0.438 69 N N -0.286 118.490 118.700 0.127 0.000 2.142 69 N HA -0.132 4.608 4.740 -0.000 0.000 0.186 69 N C 1.882 177.531 175.510 0.232 0.000 1.023 69 N CA 0.934 54.112 53.050 0.213 0.000 0.852 69 N CB -0.326 38.240 38.487 0.133 0.000 0.998 69 N HN -0.004 nan 8.380 nan 0.000 0.424 70 V N 1.677 121.657 119.914 0.110 0.000 2.220 70 V HA -0.254 3.865 4.120 -0.000 0.000 0.250 70 V C 2.132 178.381 176.094 0.259 0.000 1.056 70 V CA 1.764 64.124 62.300 0.100 0.000 1.016 70 V CB -0.470 31.378 31.823 0.042 0.000 0.639 70 V HN 0.368 nan 8.190 nan 0.000 0.446 71 E N 0.197 120.517 120.200 0.201 0.000 2.110 71 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 71 E C 2.230 178.937 176.600 0.179 0.000 0.988 71 E CA 1.480 57.988 56.400 0.181 0.000 0.804 71 E CB -0.485 29.286 29.700 0.119 0.000 0.745 71 E HN 0.609 nan 8.360 nan 0.000 0.458 72 A N -0.115 122.817 122.820 0.187 0.000 2.119 72 A HA -0.032 4.287 4.320 -0.000 0.000 0.217 72 A C 1.662 179.313 177.584 0.111 0.000 1.153 72 A CA 0.508 52.623 52.037 0.131 0.000 0.692 72 A CB -0.404 18.658 19.000 0.104 0.000 0.799 72 A HN 0.102 nan 8.150 nan 0.000 0.458 73 F N -0.310 119.710 119.950 0.118 0.000 2.698 73 F HA 0.113 4.639 4.527 -0.000 0.000 0.295 73 F C 2.335 178.255 175.800 0.200 0.000 1.124 73 F CA 0.837 58.924 58.000 0.145 0.000 1.426 73 F CB 0.125 39.205 39.000 0.133 0.000 1.120 73 F HN 0.288 nan 8.300 nan 0.000 0.583 74 R N 0.528 121.241 120.500 0.355 0.000 2.153 74 R HA 0.042 4.382 4.340 -0.000 0.000 0.218 74 R C 2.022 178.410 176.300 0.148 0.000 1.072 74 R CA 1.181 57.377 56.100 0.160 0.000 0.990 74 R CB -0.465 29.839 30.300 0.006 0.000 0.889 74 R HN 0.155 nan 8.270 nan 0.000 0.452 75 A N 1.477 124.360 122.820 0.105 0.000 1.855 75 A HA -0.107 4.212 4.320 -0.000 0.000 0.215 75 A C 2.021 179.616 177.584 0.018 0.000 1.191 75 A CA 0.955 53.017 52.037 0.042 0.000 0.613 75 A CB -0.370 18.640 19.000 0.016 0.000 0.829 75 A HN 0.330 nan 8.150 nan 0.000 0.442 76 Q N -1.631 118.171 119.800 0.003 0.000 2.364 76 Q HA -0.173 4.167 4.340 -0.000 0.000 0.209 76 Q C 1.669 177.696 176.000 0.046 0.000 0.977 76 Q CA 1.389 57.174 55.803 -0.029 0.000 0.885 76 Q CB -0.416 28.237 28.738 -0.141 0.000 0.941 76 Q HN 0.905 nan 8.270 nan 0.000 0.464 77 Y N 1.048 121.343 120.300 -0.008 0.000 2.206 77 Y HA -0.083 4.467 4.550 -0.000 0.000 0.292 77 Y C 2.015 177.893 175.900 -0.037 0.000 1.123 77 Y CA 1.387 59.481 58.100 -0.010 0.000 1.142 77 Y CB -0.019 38.415 38.460 -0.044 0.000 1.006 77 Y HN -0.089 nan 8.280 nan 0.000 0.518 78 R N 0.071 120.448 120.500 -0.205 0.000 2.189 78 R HA -0.002 4.338 4.340 -0.000 0.000 0.218 78 R C 2.189 178.352 176.300 -0.228 0.000 1.074 78 R CA 1.295 57.214 56.100 -0.302 0.000 0.991 78 R CB -0.172 30.058 30.300 -0.116 0.000 0.883 78 R HN 0.426 nan 8.270 nan 0.000 0.457 79 I N 0.897 121.381 120.570 -0.143 0.000 2.193 79 I HA -0.251 3.919 4.170 -0.000 0.000 0.240 79 I C 1.715 177.773 176.117 -0.099 0.000 1.084 79 I CA 1.391 62.631 61.300 -0.100 0.000 1.365 79 I CB -0.239 37.723 38.000 -0.063 0.000 1.064 79 I HN 0.212 nan 8.210 nan 0.000 0.410 80 Q N 0.315 120.050 119.800 -0.108 0.000 2.466 80 Q HA -0.071 4.269 4.340 -0.000 0.000 0.210 80 Q C 1.853 177.780 176.000 -0.121 0.000 0.961 80 Q CA 0.191 55.946 55.803 -0.080 0.000 0.953 80 Q CB 0.159 28.873 28.738 -0.040 0.000 1.011 80 Q HN 0.462 nan 8.270 nan 0.000 0.516 81 R N 0.941 121.306 120.500 -0.224 0.000 2.051 81 R HA 0.107 4.447 4.340 -0.000 0.000 0.218 81 R C 1.184 177.448 176.300 -0.060 0.000 1.188 81 R CA 0.875 56.823 56.100 -0.253 0.000 0.992 81 R CB -0.058 29.915 30.300 -0.544 0.000 0.883 81 R HN 0.097 nan 8.270 nan 0.000 0.444 82 A N 1.566 124.317 122.820 -0.116 0.000 2.190 82 A HA 0.001 4.321 4.320 -0.000 0.000 0.226 82 A C -0.154 177.564 177.584 0.224 0.000 1.402 82 A CA 0.595 52.610 52.037 -0.038 0.000 1.288 82 A CB -0.504 18.340 19.000 -0.260 0.000 0.833 82 A HN 0.472 nan 8.150 nan 0.000 0.564 83 D N -1.132 119.414 120.400 0.244 0.000 2.355 83 D HA 0.026 4.666 4.640 -0.000 0.000 0.206 83 D C 1.546 178.091 176.300 0.409 0.000 1.010 83 D CA 0.093 54.265 54.000 0.287 0.000 0.875 83 D CB 0.037 40.909 40.800 0.119 0.000 0.966 83 D HN 0.399 nan 8.370 nan 0.000 0.512 84 L N -0.175 121.261 121.223 0.355 0.000 2.217 84 L HA 0.160 4.500 4.340 -0.000 0.000 0.211 84 L C -0.129 177.012 176.870 0.451 0.000 1.107 84 L CA 0.822 55.864 54.840 0.337 0.000 0.783 84 L CB -0.324 41.822 42.059 0.144 0.000 0.919 84 L HN -0.193 nan 8.230 nan 0.000 0.442 85 F N 1.700 121.800 119.950 0.250 0.000 2.529 85 F HA 0.294 4.821 4.527 -0.000 0.000 0.365 85 F C -1.733 174.037 175.800 -0.050 0.000 1.102 85 F CA -2.217 55.828 58.000 0.076 0.000 1.271 85 F CB -0.470 38.537 39.000 0.012 0.000 1.120 85 F HN 0.001 nan 8.300 nan 0.000 0.579 86 P HA 0.229 nan 4.420 nan 0.000 0.279 86 P C -0.811 176.037 177.300 -0.753 0.000 1.239 86 P CA -0.544 61.789 63.100 -1.278 0.000 0.789 86 P CB 0.680 31.749 31.700 -1.051 0.000 0.933 87 R N 2.731 122.721 120.500 -0.851 0.000 2.265 87 R HA 0.474 4.814 4.340 -0.000 0.000 0.314 87 R C -0.223 175.982 176.300 -0.158 0.000 1.053 87 R CA -0.436 55.542 56.100 -0.203 0.000 0.931 87 R CB 0.284 30.662 30.300 0.129 0.000 1.024 87 R HN 0.503 nan 8.270 nan 0.000 0.457 88 I N 1.774 122.287 120.570 -0.095 0.000 2.411 88 I HA 0.318 4.488 4.170 -0.000 0.000 0.284 88 I C 0.380 176.485 176.117 -0.019 0.000 1.012 88 I CA -0.599 60.660 61.300 -0.068 0.000 1.119 88 I CB 2.123 40.073 38.000 -0.083 0.000 1.261 88 I HN 0.622 nan 8.210 nan 0.000 0.448 89 G N 5.773 114.576 108.800 0.004 0.000 2.588 89 G HA2 0.494 4.454 3.960 -0.000 0.000 0.312 89 G HA3 0.494 4.454 3.960 -0.000 0.000 0.312 89 G C -0.484 174.429 174.900 0.022 0.000 1.257 89 G CA -0.385 44.727 45.100 0.020 0.000 0.994 89 G HN 0.346 nan 8.290 nan 0.000 0.498 90 V N 4.478 124.401 119.914 0.015 0.000 2.341 90 V HA 0.079 4.199 4.120 -0.000 0.000 0.248 90 V C 0.301 176.407 176.094 0.021 0.000 1.107 90 V CA -0.473 61.837 62.300 0.017 0.000 1.069 90 V CB -0.333 31.495 31.823 0.010 0.000 1.177 90 V HN 0.625 nan 8.190 nan 0.000 0.492 123 A N -0.127 122.794 122.820 0.168 0.000 2.235 123 A HA 0.330 4.649 4.320 -0.000 0.000 0.208 123 A C 0.626 178.313 177.584 0.172 0.000 1.172 123 A CA 0.099 52.225 52.037 0.147 0.000 0.786 123 A CB -1.268 17.791 19.000 0.099 0.000 0.804 123 A HN 0.571 nan 8.150 nan 0.000 0.479 124 W N 0.896 122.211 121.300 0.025 0.000 2.430 124 W HA 0.126 4.785 4.660 -0.000 0.000 0.346 124 W C -0.024 176.505 176.519 0.016 0.000 1.230 124 W CA 0.933 58.288 57.345 0.018 0.000 1.367 124 W CB 0.332 29.797 29.460 0.008 0.000 1.204 124 W HN 0.279 nan 8.180 nan 0.000 0.599 125 E N 3.317 122.905 120.200 -1.020 0.000 2.155 125 E HA 0.196 4.546 4.350 -0.000 0.000 0.264 125 E C -0.837 174.894 176.600 -1.448 0.000 0.886 125 E CA -0.884 54.982 56.400 -0.891 0.000 0.752 125 E CB 1.001 30.400 29.700 -0.502 0.000 1.133 125 E HN 0.359 nan 8.360 nan 0.000 0.414 126 L N 4.226 124.937 121.223 -0.853 0.000 2.511 126 L HA 0.141 4.481 4.340 -0.000 0.000 0.239 126 L C -0.740 175.942 176.870 -0.313 0.000 1.400 126 L CA 0.423 54.955 54.840 -0.514 0.000 1.226 126 L CB -0.446 41.548 42.059 -0.108 0.000 1.475 126 L HN 0.408 nan 8.230 nan 0.000 0.428 127 D N 2.317 122.508 120.400 -0.348 0.000 2.280 127 D HA 0.262 4.902 4.640 -0.000 0.000 0.243 127 D C -0.020 176.204 176.300 -0.127 0.000 1.129 127 D CA 0.040 53.935 54.000 -0.175 0.000 0.848 127 D CB 1.356 42.081 40.800 -0.124 0.000 1.107 127 D HN 0.306 nan 8.370 nan 0.000 0.471 128 L N 3.591 124.727 121.223 -0.145 0.000 3.083 128 L HA 0.295 4.635 4.340 -0.000 0.000 0.286 128 L C 0.264 177.006 176.870 -0.213 0.000 1.307 128 L CA -0.278 54.471 54.840 -0.152 0.000 0.897 128 L CB 0.119 42.068 42.059 -0.183 0.000 1.306 128 L HN 0.295 nan 8.230 nan 0.000 0.569 129 F N -0.390 119.584 119.950 0.041 0.000 2.893 129 F HA 0.605 5.131 4.527 -0.000 0.000 0.152 129 F C 1.458 177.317 175.800 0.098 0.000 1.391 129 F CA -0.526 57.537 58.000 0.105 0.000 0.935 129 F CB 0.525 39.640 39.000 0.192 0.000 2.055 129 F HN -0.053 nan 8.300 nan 0.000 0.498 130 G N 0.191 109.219 108.800 0.380 0.000 4.713 130 G HA2 0.448 4.408 3.960 -0.000 0.000 0.318 130 G HA3 0.448 4.408 3.960 -0.000 0.000 0.318 130 G C -0.350 174.622 174.900 0.120 0.000 1.435 130 G CA -0.166 45.054 45.100 0.201 0.000 0.965 130 G HN 0.421 nan 8.290 nan 0.000 0.542 131 R N 1.098 121.661 120.500 0.105 0.000 3.969 131 R HA 0.276 4.616 4.340 -0.000 0.000 0.120 131 R C 1.320 177.650 176.300 0.050 0.000 0.681 131 R CA -0.217 55.922 56.100 0.065 0.000 1.259 131 R CB -0.395 29.940 30.300 0.057 0.000 1.619 131 R HN 0.254 nan 8.270 nan 0.000 0.452 132 L N 1.366 122.615 121.223 0.044 0.000 2.056 132 L HA 0.042 4.382 4.340 -0.000 0.000 0.207 132 L C 1.821 178.719 176.870 0.047 0.000 1.078 132 L CA 1.498 56.356 54.840 0.030 0.000 0.749 132 L CB -0.014 42.051 42.059 0.010 0.000 0.901 132 L HN 0.220 nan 8.230 nan 0.000 0.433 133 R N -1.698 118.838 120.500 0.061 0.000 2.299 133 R HA -0.001 4.339 4.340 -0.000 0.000 0.197 133 R C 2.171 178.517 176.300 0.077 0.000 0.971 133 R CA 0.703 56.846 56.100 0.071 0.000 1.030 133 R CB 0.073 30.417 30.300 0.074 0.000 0.932 133 R HN 0.254 nan 8.270 nan 0.000 0.477 134 S N 0.535 116.278 115.700 0.072 0.000 2.452 134 S HA 0.136 4.606 4.470 -0.000 0.000 0.225 134 S C 1.544 176.184 174.600 0.067 0.000 1.057 134 S CA 0.181 58.422 58.200 0.070 0.000 0.949 134 S CB 0.216 63.456 63.200 0.066 0.000 0.836 134 S HN 0.119 nan 8.310 nan 0.000 0.518 135 L N 2.002 123.260 121.223 0.058 0.000 2.551 135 L HA 0.095 4.435 4.340 -0.000 0.000 0.228 135 L C 2.158 179.066 176.870 0.063 0.000 1.153 135 L CA 0.643 55.517 54.840 0.057 0.000 0.851 135 L CB -0.249 41.835 42.059 0.041 0.000 0.959 135 L HN 0.295 nan 8.230 nan 0.000 0.451 136 R N -1.533 119.006 120.500 0.065 0.000 2.223 136 R HA 0.032 4.372 4.340 -0.000 0.000 0.198 136 R C 1.365 177.771 176.300 0.177 0.000 0.984 136 R CA 0.716 56.858 56.100 0.071 0.000 1.018 136 R CB -0.418 29.887 30.300 0.007 0.000 0.945 136 R HN 0.019 nan 8.270 nan 0.000 0.479 137 D N 1.343 121.827 120.400 0.140 0.000 2.097 137 D HA -0.175 4.465 4.640 -0.000 0.000 0.197 137 D C 1.873 178.250 176.300 0.128 0.000 0.984 137 D CA 1.935 56.018 54.000 0.138 0.000 0.826 137 D CB -0.162 40.694 40.800 0.093 0.000 0.973 137 D HN 0.627 nan 8.370 nan 0.000 0.460 138 Q N 0.612 120.478 119.800 0.110 0.000 2.084 138 Q HA -0.077 4.263 4.340 -0.000 0.000 0.202 138 Q C 2.160 178.248 176.000 0.147 0.000 0.978 138 Q CA 1.699 57.563 55.803 0.101 0.000 0.844 138 Q CB -0.380 28.409 28.738 0.085 0.000 0.898 138 Q HN 0.132 nan 8.270 nan 0.000 0.426 139 A N 1.977 124.914 122.820 0.195 0.000 1.869 139 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 139 A C 2.219 179.983 177.584 0.300 0.000 1.203 139 A CA 1.827 54.032 52.037 0.279 0.000 0.638 139 A CB -1.141 18.049 19.000 0.316 0.000 0.831 139 A HN 0.482 nan 8.150 nan 0.000 0.450 140 L N -0.585 120.801 121.223 0.273 0.000 2.089 140 L HA -0.238 4.102 4.340 -0.000 0.000 0.213 140 L C 2.331 179.239 176.870 0.063 0.000 1.079 140 L CA 2.544 57.375 54.840 -0.014 0.000 0.758 140 L CB -0.376 41.632 42.059 -0.085 0.000 0.891 140 L HN 0.440 nan 8.230 nan 0.000 0.433 141 E N -0.457 119.781 120.200 0.063 0.000 2.028 141 E HA -0.206 4.144 4.350 -0.000 0.000 0.190 141 E C 2.146 178.718 176.600 -0.046 0.000 0.984 141 E CA 1.278 57.677 56.400 -0.002 0.000 0.800 141 E CB -0.452 29.272 29.700 0.040 0.000 0.758 141 E HN 0.676 nan 8.360 nan 0.000 0.448 142 Q N -0.132 119.698 119.800 0.050 0.000 2.449 142 Q HA -0.200 4.140 4.340 -0.000 0.000 0.214 142 Q C 1.853 177.847 176.000 -0.009 0.000 0.986 142 Q CA 1.149 56.978 55.803 0.043 0.000 0.893 142 Q CB -0.241 28.649 28.738 0.254 0.000 0.940 142 Q HN 0.349 nan 8.270 nan 0.000 0.477 143 Y N 0.509 120.781 120.300 -0.047 0.000 2.177 143 Y HA -0.097 4.453 4.550 -0.000 0.000 0.291 143 Y C 1.785 177.538 175.900 -0.245 0.000 1.117 143 Y CA 1.049 59.093 58.100 -0.093 0.000 1.114 143 Y CB -0.333 38.066 38.460 -0.103 0.000 1.017 143 Y HN -0.058 nan 8.280 nan 0.000 0.505 144 L N 0.363 121.260 121.223 -0.544 0.000 2.191 144 L HA -0.156 4.183 4.340 -0.000 0.000 0.212 144 L C 2.710 179.123 176.870 -0.762 0.000 1.103 144 L CA 1.054 55.393 54.840 -0.835 0.000 0.769 144 L CB -0.844 40.634 42.059 -0.968 0.000 0.908 144 L HN 0.419 nan 8.230 nan 0.000 0.438 145 A N -0.738 121.765 122.820 -0.528 0.000 1.897 145 A HA -0.163 4.157 4.320 -0.000 0.000 0.215 145 A C 2.382 179.758 177.584 -0.346 0.000 1.181 145 A CA 2.078 53.945 52.037 -0.284 0.000 0.620 145 A CB -0.743 18.166 19.000 -0.153 0.000 0.821 145 A HN 0.299 nan 8.150 nan 0.000 0.443 146 T N -0.623 113.645 114.554 -0.476 0.000 2.746 146 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 146 T C 1.847 176.308 174.700 -0.398 0.000 1.039 146 T CA 1.607 63.404 62.100 -0.503 0.000 1.142 146 T CB -0.186 68.272 68.868 -0.684 0.000 0.866 146 T HN 0.691 nan 8.240 nan 0.000 0.444 147 E N 0.148 120.039 120.200 -0.514 0.000 2.204 147 E HA -0.167 4.182 4.350 -0.000 0.000 0.195 147 E C 2.251 178.631 176.600 -0.367 0.000 0.990 147 E CA 0.823 56.948 56.400 -0.459 0.000 0.821 147 E CB 0.120 29.442 29.700 -0.629 0.000 0.750 147 E HN 0.363 nan 8.360 nan 0.000 0.477 148 Q N -0.406 119.196 119.800 -0.330 0.000 2.096 148 Q HA -0.023 4.317 4.340 -0.000 0.000 0.197 148 Q C 2.163 178.048 176.000 -0.192 0.000 0.964 148 Q CA 1.090 56.744 55.803 -0.248 0.000 0.838 148 Q CB -0.237 28.415 28.738 -0.143 0.000 0.906 148 Q HN 0.326 nan 8.270 nan 0.000 0.444 149 A N 1.224 123.934 122.820 -0.184 0.000 1.986 149 A HA -0.261 4.059 4.320 -0.000 0.000 0.220 149 A C 2.062 179.589 177.584 -0.094 0.000 1.171 149 A CA 1.800 53.758 52.037 -0.132 0.000 0.640 149 A CB -0.522 18.385 19.000 -0.155 0.000 0.811 149 A HN 0.415 nan 8.150 nan 0.000 0.451 150 Q N -0.616 119.117 119.800 -0.111 0.000 2.049 150 Q HA -0.154 4.186 4.340 -0.000 0.000 0.198 150 Q C 2.324 178.337 176.000 0.020 0.000 0.971 150 Q CA 1.264 57.048 55.803 -0.031 0.000 0.833 150 Q CB -0.090 28.637 28.738 -0.020 0.000 0.896 150 Q HN 0.695 nan 8.270 nan 0.000 0.434 151 R N -0.227 120.199 120.500 -0.124 0.000 2.083 151 R HA -0.118 4.222 4.340 -0.000 0.000 0.237 151 R C 2.648 178.973 176.300 0.042 0.000 1.137 151 R CA 1.524 57.543 56.100 -0.135 0.000 0.951 151 R CB -0.427 29.564 30.300 -0.515 0.000 0.851 151 R HN 0.146 nan 8.270 nan 0.000 0.434 152 S N 0.173 115.854 115.700 -0.032 0.000 2.359 152 S HA -0.204 4.266 4.470 -0.000 0.000 0.223 152 S C 2.030 176.647 174.600 0.028 0.000 1.039 152 S CA 1.438 59.633 58.200 -0.009 0.000 1.042 152 S CB -0.250 62.930 63.200 -0.034 0.000 0.915 152 S HN 0.504 nan 8.310 nan 0.000 0.439 153 A N 0.551 123.389 122.820 0.029 0.000 1.978 153 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 153 A C 2.053 179.675 177.584 0.063 0.000 1.170 153 A CA 2.035 54.095 52.037 0.039 0.000 0.636 153 A CB -0.751 18.268 19.000 0.031 0.000 0.810 153 A HN 0.736 nan 8.150 nan 0.000 0.448 154 Q N -0.227 119.650 119.800 0.128 0.000 2.083 154 Q HA -0.146 4.194 4.340 -0.000 0.000 0.198 154 Q C 2.102 178.155 176.000 0.089 0.000 0.969 154 Q CA 2.290 58.172 55.803 0.131 0.000 0.838 154 Q CB -0.369 28.532 28.738 0.271 0.000 0.900 154 Q HN 0.739 nan 8.270 nan 0.000 0.436 155 T N -2.503 112.122 114.554 0.118 0.000 2.821 155 T HA -0.088 4.262 4.350 -0.000 0.000 0.267 155 T C 1.878 176.609 174.700 0.051 0.000 1.046 155 T CA 1.557 63.704 62.100 0.078 0.000 1.139 155 T CB -0.775 68.114 68.868 0.035 0.000 0.871 155 T HN 0.200 nan 8.240 nan 0.000 0.454 156 T N 1.956 116.533 114.554 0.037 0.000 2.720 156 T HA 0.027 4.377 4.350 -0.000 0.000 0.268 156 T C 1.740 176.453 174.700 0.022 0.000 1.037 156 T CA 1.251 63.369 62.100 0.029 0.000 1.144 156 T CB -0.491 68.389 68.868 0.020 0.000 0.864 156 T HN 0.189 nan 8.240 nan 0.000 0.444 157 L N 0.916 122.142 121.223 0.004 0.000 2.072 157 L HA 0.030 4.370 4.340 -0.000 0.000 0.205 157 L C 2.471 179.301 176.870 -0.066 0.000 1.079 157 L CA 1.244 56.065 54.840 -0.032 0.000 0.752 157 L CB -0.657 41.373 42.059 -0.049 0.000 0.906 157 L HN 0.057 nan 8.230 nan 0.000 0.436 158 V N 0.033 119.905 119.914 -0.070 0.000 2.252 158 V HA -0.377 3.742 4.120 -0.000 0.000 0.249 158 V C 2.757 178.861 176.094 0.017 0.000 1.056 158 V CA 1.919 64.163 62.300 -0.092 0.000 1.022 158 V CB -1.376 30.463 31.823 0.028 0.000 0.641 158 V HN 0.593 nan 8.190 nan 0.000 0.445 159 A N -0.744 122.149 122.820 0.122 0.000 1.902 159 A HA -0.222 4.097 4.320 -0.000 0.000 0.217 159 A C 2.466 180.098 177.584 0.080 0.000 1.181 159 A CA 2.364 54.508 52.037 0.177 0.000 0.623 159 A CB -0.720 18.379 19.000 0.166 0.000 0.818 159 A HN 0.515 nan 8.150 nan 0.000 0.443 160 S N -0.700 115.018 115.700 0.030 0.000 2.402 160 S HA -0.080 4.390 4.470 -0.000 0.000 0.229 160 S C 1.877 176.466 174.600 -0.019 0.000 1.021 160 S CA 1.220 59.426 58.200 0.010 0.000 0.974 160 S CB -0.317 62.883 63.200 0.000 0.000 0.800 160 S HN 0.344 nan 8.310 nan 0.000 0.484 161 V N 2.033 121.907 119.914 -0.067 0.000 2.244 161 V HA -0.182 3.938 4.120 -0.000 0.000 0.244 161 V C 2.685 178.711 176.094 -0.113 0.000 1.042 161 V CA 1.708 63.939 62.300 -0.114 0.000 1.006 161 V CB -1.284 30.418 31.823 -0.201 0.000 0.641 161 V HN 0.520 nan 8.190 nan 0.000 0.446 162 A N -0.065 122.640 122.820 -0.192 0.000 1.884 162 A HA -0.319 4.001 4.320 -0.000 0.000 0.219 162 A C 2.389 179.985 177.584 0.020 0.000 1.197 162 A CA 3.020 54.945 52.037 -0.187 0.000 0.637 162 A CB -1.312 17.546 19.000 -0.236 0.000 0.827 162 A HN 0.524 nan 8.150 nan 0.000 0.450 163 T N 0.263 114.844 114.554 0.045 0.000 2.684 163 T HA -0.084 4.266 4.350 -0.000 0.000 0.267 163 T C 2.224 176.944 174.700 0.035 0.000 1.036 163 T CA 1.991 64.121 62.100 0.051 0.000 1.148 163 T CB -0.619 68.280 68.868 0.052 0.000 0.863 163 T HN 0.678 nan 8.240 nan 0.000 0.436 164 A N 0.497 123.334 122.820 0.028 0.000 1.908 164 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 164 A C 2.114 179.725 177.584 0.044 0.000 1.181 164 A CA 1.843 53.895 52.037 0.025 0.000 0.627 164 A CB -1.085 17.925 19.000 0.016 0.000 0.818 164 A HN 0.603 nan 8.150 nan 0.000 0.445 165 Y N 0.369 120.622 120.300 -0.078 0.000 2.145 165 Y HA -0.152 4.398 4.550 -0.000 0.000 0.286 165 Y C 2.030 177.889 175.900 -0.069 0.000 1.145 165 Y CA 1.872 59.922 58.100 -0.084 0.000 1.148 165 Y CB -0.326 38.060 38.460 -0.124 0.000 0.981 165 Y HN 0.211 nan 8.280 nan 0.000 0.507 166 L N -0.995 120.225 121.223 -0.005 0.000 2.046 166 L HA -0.244 4.096 4.340 -0.000 0.000 0.208 166 L C 2.314 179.110 176.870 -0.124 0.000 1.077 166 L CA 1.855 56.639 54.840 -0.093 0.000 0.747 166 L CB -0.933 41.129 42.059 0.004 0.000 0.896 166 L HN 0.224 nan 8.230 nan 0.000 0.432 167 T N 0.307 114.818 114.554 -0.071 0.000 2.720 167 T HA -0.208 4.142 4.350 -0.000 0.000 0.268 167 T C 1.797 176.446 174.700 -0.085 0.000 1.037 167 T CA 1.468 63.532 62.100 -0.059 0.000 1.144 167 T CB -0.243 68.612 68.868 -0.023 0.000 0.864 167 T HN 0.144 nan 8.240 nan 0.000 0.444 168 L N 1.263 122.418 121.223 -0.112 0.000 2.027 168 L HA 0.069 4.409 4.340 -0.000 0.000 0.206 168 L C 2.286 179.047 176.870 -0.181 0.000 1.074 168 L CA 1.898 56.662 54.840 -0.126 0.000 0.745 168 L CB -0.580 41.406 42.059 -0.121 0.000 0.898 168 L HN 0.033 nan 8.230 nan 0.000 0.433 169 K N -0.486 119.743 120.400 -0.286 0.000 2.063 169 K HA -0.152 4.168 4.320 -0.000 0.000 0.208 169 K C 2.031 178.516 176.600 -0.191 0.000 1.048 169 K CA 1.520 57.635 56.287 -0.286 0.000 0.928 169 K CB -0.365 31.894 32.500 -0.402 0.000 0.713 169 K HN 0.495 nan 8.250 nan 0.000 0.442 170 A N 1.160 123.882 122.820 -0.162 0.000 1.877 170 A HA -0.199 4.120 4.320 -0.000 0.000 0.216 170 A C 1.767 179.258 177.584 -0.156 0.000 1.186 170 A CA 2.058 54.012 52.037 -0.138 0.000 0.620 170 A CB -0.649 18.287 19.000 -0.106 0.000 0.822 170 A HN 0.367 nan 8.150 nan 0.000 0.443 171 D N -0.690 119.637 120.400 -0.122 0.000 2.219 171 D HA -0.111 4.529 4.640 -0.000 0.000 0.205 171 D C 2.154 178.365 176.300 -0.149 0.000 0.970 171 D CA 1.095 55.025 54.000 -0.116 0.000 0.851 171 D CB -0.270 40.537 40.800 0.012 0.000 0.943 171 D HN 0.621 nan 8.370 nan 0.000 0.488 172 Q N 0.545 120.268 119.800 -0.128 0.000 2.050 172 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 172 Q C 2.300 178.216 176.000 -0.141 0.000 0.980 172 Q CA 1.397 57.130 55.803 -0.117 0.000 0.840 172 Q CB -0.115 28.556 28.738 -0.112 0.000 0.898 172 Q HN 0.191 nan 8.270 nan 0.000 0.424 173 A N 1.065 123.791 122.820 -0.157 0.000 1.892 173 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 173 A C 2.068 179.528 177.584 -0.207 0.000 1.188 173 A CA 1.536 53.479 52.037 -0.156 0.000 0.631 173 A CB -0.520 18.395 19.000 -0.142 0.000 0.822 173 A HN 0.302 nan 8.150 nan 0.000 0.447 174 Q N -1.074 118.520 119.800 -0.343 0.000 2.084 174 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 174 Q C 2.147 177.861 176.000 -0.476 0.000 0.978 174 Q CA 1.424 56.859 55.803 -0.613 0.000 0.844 174 Q CB -0.651 27.253 28.738 -1.390 0.000 0.898 174 Q HN 0.595 nan 8.270 nan 0.000 0.426 175 L N 1.277 122.312 121.223 -0.313 0.000 2.017 175 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 175 L C 2.428 179.259 176.870 -0.066 0.000 1.073 175 L CA 1.998 56.790 54.840 -0.079 0.000 0.745 175 L CB -0.800 41.247 42.059 -0.019 0.000 0.894 175 L HN 0.118 nan 8.230 nan 0.000 0.432 176 Q N -0.586 119.159 119.800 -0.092 0.000 2.050 176 Q HA -0.210 4.129 4.340 -0.000 0.000 0.202 176 Q C 2.163 178.112 176.000 -0.085 0.000 0.980 176 Q CA 2.306 58.062 55.803 -0.079 0.000 0.840 176 Q CB -0.748 27.942 28.738 -0.080 0.000 0.898 176 Q HN 0.545 nan 8.270 nan 0.000 0.424 177 L N -0.154 121.016 121.223 -0.087 0.000 2.017 177 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 177 L C 1.973 178.797 176.870 -0.077 0.000 1.073 177 L CA 2.464 57.265 54.840 -0.065 0.000 0.745 177 L CB -1.112 40.937 42.059 -0.016 0.000 0.894 177 L HN 0.221 nan 8.230 nan 0.000 0.432 178 T N -0.206 114.351 114.554 0.004 0.000 2.684 178 T HA -0.218 4.132 4.350 -0.000 0.000 0.267 178 T C 1.870 176.481 174.700 -0.147 0.000 1.036 178 T CA 1.890 63.980 62.100 -0.017 0.000 1.148 178 T CB -0.234 68.768 68.868 0.224 0.000 0.863 178 T HN 0.364 nan 8.240 nan 0.000 0.436 179 K N 0.816 121.160 120.400 -0.092 0.000 2.020 179 K HA -0.161 4.159 4.320 -0.000 0.000 0.212 179 K C 2.171 178.676 176.600 -0.159 0.000 1.050 179 K CA 1.719 57.944 56.287 -0.104 0.000 0.929 179 K CB -0.285 32.174 32.500 -0.067 0.000 0.714 179 K HN 0.292 nan 8.250 nan 0.000 0.443 180 D N 0.066 120.364 120.400 -0.169 0.000 2.116 180 D HA -0.139 4.501 4.640 -0.000 0.000 0.193 180 D C 1.933 178.046 176.300 -0.311 0.000 0.998 180 D CA 1.510 55.394 54.000 -0.193 0.000 0.836 180 D CB -0.543 40.154 40.800 -0.171 0.000 0.951 180 D HN 0.201 nan 8.370 nan 0.000 0.449 181 T N 1.199 115.476 114.554 -0.463 0.000 2.737 181 T HA -0.110 4.240 4.350 -0.000 0.000 0.265 181 T C 1.952 176.133 174.700 -0.865 0.000 1.038 181 T CA 0.462 62.067 62.100 -0.825 0.000 1.144 181 T CB -0.387 67.726 68.868 -1.259 0.000 0.866 181 T HN 0.023 nan 8.240 nan 0.000 0.434 182 L N 1.744 122.641 121.223 -0.543 0.000 2.012 182 L HA 0.017 4.357 4.340 -0.000 0.000 0.210 182 L C 2.575 179.329 176.870 -0.194 0.000 1.073 182 L CA 2.178 56.834 54.840 -0.306 0.000 0.748 182 L CB -1.264 40.702 42.059 -0.155 0.000 0.891 182 L HN 0.303 nan 8.230 nan 0.000 0.431 183 G N -2.072 106.623 108.800 -0.176 0.000 2.469 183 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.220 183 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.220 183 G C 1.468 176.327 174.900 -0.069 0.000 1.136 183 G CA 1.319 46.360 45.100 -0.097 0.000 0.759 183 G HN 0.454 nan 8.290 nan 0.000 0.562 184 T N -0.023 114.447 114.554 -0.140 0.000 2.701 184 T HA -0.073 4.277 4.350 -0.000 0.000 0.263 184 T C 2.063 176.837 174.700 0.124 0.000 1.040 184 T CA 1.047 63.118 62.100 -0.049 0.000 1.147 184 T CB -0.392 68.388 68.868 -0.147 0.000 0.865 184 T HN 0.506 nan 8.240 nan 0.000 0.426 185 Y N 0.912 121.194 120.300 -0.030 0.000 2.333 185 Y HA -0.184 4.366 4.550 -0.000 0.000 0.290 185 Y C 2.910 178.853 175.900 0.072 0.000 1.144 185 Y CA 0.450 58.563 58.100 0.022 0.000 1.228 185 Y CB -0.109 38.333 38.460 -0.030 0.000 0.985 185 Y HN 0.218 nan 8.280 nan 0.000 0.542 186 Q N 1.091 120.998 119.800 0.180 0.000 2.083 186 Q HA -0.130 4.210 4.340 -0.000 0.000 0.198 186 Q C 1.895 178.007 176.000 0.186 0.000 0.969 186 Q CA 1.473 57.364 55.803 0.147 0.000 0.838 186 Q CB 0.023 28.799 28.738 0.064 0.000 0.900 186 Q HN 0.266 nan 8.270 nan 0.000 0.436 187 K N -0.718 119.769 120.400 0.145 0.000 2.097 187 K HA -0.060 4.260 4.320 -0.000 0.000 0.205 187 K C 2.274 178.971 176.600 0.162 0.000 1.050 187 K CA 1.115 57.481 56.287 0.132 0.000 0.938 187 K CB -0.211 32.345 32.500 0.093 0.000 0.718 187 K HN 0.111 nan 8.250 nan 0.000 0.442 188 S N 0.734 116.557 115.700 0.205 0.000 2.368 188 S HA -0.162 4.308 4.470 -0.000 0.000 0.225 188 S C 1.763 176.498 174.600 0.224 0.000 1.030 188 S CA 0.928 59.261 58.200 0.221 0.000 0.999 188 S CB -0.300 63.056 63.200 0.260 0.000 0.844 188 S HN 0.335 nan 8.310 nan 0.000 0.459 189 F N 2.372 122.383 119.950 0.101 0.000 2.161 189 F HA -0.103 4.424 4.527 -0.000 0.000 0.300 189 F C 1.731 177.555 175.800 0.039 0.000 1.089 189 F CA 1.980 60.007 58.000 0.044 0.000 1.282 189 F CB -0.335 38.676 39.000 0.018 0.000 1.010 189 F HN 0.233 nan 8.300 nan 0.000 0.485 190 D N 0.271 120.744 120.400 0.121 0.000 2.224 190 D HA -0.096 4.544 4.640 -0.000 0.000 0.205 190 D C 2.409 178.699 176.300 -0.016 0.000 0.965 190 D CA 0.900 54.914 54.000 0.024 0.000 0.852 190 D CB -0.378 40.483 40.800 0.102 0.000 0.947 190 D HN 0.345 nan 8.370 nan 0.000 0.494 191 L N 0.385 121.627 121.223 0.031 0.000 2.093 191 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 191 L C 2.220 179.110 176.870 0.033 0.000 1.085 191 L CA 1.069 55.939 54.840 0.050 0.000 0.755 191 L CB -0.267 41.853 42.059 0.101 0.000 0.904 191 L HN 0.009 nan 8.230 nan 0.000 0.435 192 T N -1.809 112.734 114.554 -0.018 0.000 2.985 192 T HA -0.167 4.183 4.350 -0.000 0.000 0.266 192 T C 1.707 176.300 174.700 -0.178 0.000 1.076 192 T CA 0.744 62.814 62.100 -0.050 0.000 1.135 192 T CB 0.086 68.887 68.868 -0.111 0.000 0.890 192 T HN 0.172 nan 8.240 nan 0.000 0.480 193 Q N 1.631 121.220 119.800 -0.352 0.000 2.050 193 Q HA -0.007 4.333 4.340 -0.000 0.000 0.202 193 Q C 2.226 178.185 176.000 -0.069 0.000 0.980 193 Q CA 1.633 57.235 55.803 -0.334 0.000 0.840 193 Q CB -0.094 28.392 28.738 -0.419 0.000 0.898 193 Q HN 0.382 nan 8.270 nan 0.000 0.424 194 R N -0.736 119.741 120.500 -0.037 0.000 2.115 194 R HA 0.021 4.361 4.340 -0.000 0.000 0.226 194 R C 2.533 178.850 176.300 0.028 0.000 1.100 194 R CA 1.083 57.190 56.100 0.010 0.000 0.980 194 R CB -0.306 29.999 30.300 0.008 0.000 0.875 194 R HN 0.228 nan 8.270 nan 0.000 0.445 195 S N 0.072 115.794 115.700 0.037 0.000 2.371 195 S HA -0.178 4.292 4.470 -0.000 0.000 0.224 195 S C 1.838 176.471 174.600 0.056 0.000 1.029 195 S CA 0.787 59.012 58.200 0.041 0.000 0.978 195 S CB -0.239 62.997 63.200 0.060 0.000 0.833 195 S HN 0.468 nan 8.310 nan 0.000 0.466 196 Y N 2.070 122.340 120.300 -0.050 0.000 2.224 196 Y HA -0.134 4.416 4.550 -0.000 0.000 0.289 196 Y C 1.800 177.673 175.900 -0.044 0.000 1.146 196 Y CA 2.144 60.213 58.100 -0.052 0.000 1.182 196 Y CB -0.455 37.955 38.460 -0.083 0.000 0.983 196 Y HN 0.284 nan 8.280 nan 0.000 0.524 197 D N -0.088 120.375 120.400 0.106 0.000 2.097 197 D HA -0.171 4.469 4.640 -0.000 0.000 0.195 197 D C 2.149 178.409 176.300 -0.067 0.000 0.989 197 D CA 2.155 56.170 54.000 0.025 0.000 0.827 197 D CB -0.708 40.128 40.800 0.060 0.000 0.966 197 D HN 0.390 nan 8.370 nan 0.000 0.456 198 V N -2.108 117.777 119.914 -0.047 0.000 3.541 198 V HA 0.285 4.405 4.120 -0.000 0.000 0.272 198 V C 1.265 177.303 176.094 -0.093 0.000 1.215 198 V CA 0.554 62.819 62.300 -0.058 0.000 1.176 198 V CB -0.917 30.885 31.823 -0.034 0.000 0.854 198 V HN 0.257 nan 8.190 nan 0.000 0.496 199 G N -0.459 108.246 108.800 -0.158 0.000 2.272 199 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.280 199 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.280 199 G C 0.205 175.029 174.900 -0.127 0.000 1.067 199 G CA 0.423 45.404 45.100 -0.199 0.000 0.902 199 G HN 0.703 nan 8.290 nan 0.000 0.500 200 V N -0.606 119.255 119.914 -0.089 0.000 2.911 200 V HA 0.588 4.708 4.120 -0.000 0.000 0.237 200 V C 1.800 177.881 176.094 -0.022 0.000 1.156 200 V CA 1.586 63.853 62.300 -0.056 0.000 1.180 200 V CB 0.072 31.863 31.823 -0.053 0.000 0.932 200 V HN 1.181 nan 8.190 nan 0.000 0.483 201 A N 1.095 123.934 122.820 0.032 0.000 2.310 201 A HA 0.645 4.964 4.320 -0.000 0.000 0.299 201 A C 0.517 178.207 177.584 0.176 0.000 1.147 201 A CA 0.218 52.330 52.037 0.124 0.000 0.818 201 A CB 0.634 19.758 19.000 0.207 0.000 1.096 201 A HN 0.494 nan 8.150 nan 0.000 0.495 202 S N 1.106 116.911 115.700 0.175 0.000 2.655 202 S HA 0.505 4.975 4.470 -0.000 0.000 0.265 202 S C 1.251 175.995 174.600 0.239 0.000 1.240 202 S CA -0.045 58.263 58.200 0.180 0.000 0.986 202 S CB 1.032 64.300 63.200 0.113 0.000 0.985 202 S HN 1.569 nan 8.310 nan 0.000 0.562 203 A N 0.186 123.143 122.820 0.228 0.000 1.969 203 A HA 0.050 4.370 4.320 -0.000 0.000 0.218 203 A C 2.031 179.605 177.584 -0.016 0.000 1.169 203 A CA 1.223 53.325 52.037 0.108 0.000 0.635 203 A CB -1.035 18.048 19.000 0.138 0.000 0.810 203 A HN 0.886 nan 8.150 nan 0.000 0.445 204 L N 0.194 121.424 121.223 0.011 0.000 1.989 204 L HA -0.223 4.117 4.340 -0.000 0.000 0.211 204 L C 1.865 178.674 176.870 -0.101 0.000 1.071 204 L CA 2.603 57.429 54.840 -0.023 0.000 0.749 204 L CB -0.558 41.510 42.059 0.016 0.000 0.890 204 L HN 0.351 nan 8.230 nan 0.000 0.431 205 D N -0.318 120.022 120.400 -0.100 0.000 2.127 205 D HA -0.287 4.353 4.640 -0.000 0.000 0.190 205 D C 2.137 178.155 176.300 -0.469 0.000 1.000 205 D CA 1.996 55.811 54.000 -0.307 0.000 0.839 205 D CB -0.630 40.137 40.800 -0.056 0.000 0.955 205 D HN 0.352 nan 8.370 nan 0.000 0.446 206 L N 0.707 121.754 121.223 -0.292 0.000 2.013 206 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 206 L C 2.250 179.027 176.870 -0.156 0.000 1.073 206 L CA 1.761 56.413 54.840 -0.314 0.000 0.753 206 L CB -0.136 41.663 42.059 -0.435 0.000 0.890 206 L HN -0.113 nan 8.230 nan 0.000 0.432 207 R N -0.528 119.888 120.500 -0.139 0.000 2.092 207 R HA -0.130 4.210 4.340 -0.000 0.000 0.231 207 R C 2.230 178.475 176.300 -0.090 0.000 1.119 207 R CA 1.524 57.581 56.100 -0.072 0.000 0.970 207 R CB -0.696 29.567 30.300 -0.062 0.000 0.864 207 R HN 0.608 nan 8.270 nan 0.000 0.440 208 Q N -0.072 119.623 119.800 -0.175 0.000 2.002 208 Q HA -0.119 4.221 4.340 -0.000 0.000 0.204 208 Q C 2.177 178.073 176.000 -0.174 0.000 0.988 208 Q CA 1.966 57.664 55.803 -0.175 0.000 0.843 208 Q CB -0.286 28.318 28.738 -0.223 0.000 0.908 208 Q HN 0.353 nan 8.270 nan 0.000 0.420 209 A N 0.928 123.520 122.820 -0.380 0.000 1.903 209 A HA -0.334 3.985 4.320 -0.000 0.000 0.219 209 A C 2.008 179.657 177.584 0.108 0.000 1.191 209 A CA 1.989 53.972 52.037 -0.090 0.000 0.638 209 A CB -0.793 18.150 19.000 -0.094 0.000 0.823 209 A HN 0.450 nan 8.150 nan 0.000 0.451 210 Q N -1.359 118.512 119.800 0.119 0.000 2.124 210 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 210 Q C 2.157 178.091 176.000 -0.111 0.000 0.977 210 Q CA 1.897 57.639 55.803 -0.101 0.000 0.850 210 Q CB -0.288 28.416 28.738 -0.058 0.000 0.901 210 Q HN 0.644 nan 8.270 nan 0.000 0.429 211 T N 0.559 115.076 114.554 -0.062 0.000 2.684 211 T HA -0.198 4.151 4.350 -0.000 0.000 0.267 211 T C 1.694 176.363 174.700 -0.051 0.000 1.036 211 T CA 1.412 63.482 62.100 -0.050 0.000 1.148 211 T CB -0.334 68.513 68.868 -0.035 0.000 0.863 211 T HN 0.488 nan 8.240 nan 0.000 0.436 212 A N 0.730 123.495 122.820 -0.091 0.000 1.892 212 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 212 A C 2.563 180.143 177.584 -0.007 0.000 1.188 212 A CA 1.878 53.802 52.037 -0.189 0.000 0.631 212 A CB -1.110 17.558 19.000 -0.555 0.000 0.822 212 A HN 0.384 nan 8.150 nan 0.000 0.447 213 V N 0.433 120.341 119.914 -0.010 0.000 2.261 213 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 213 V C 2.608 178.703 176.094 0.002 0.000 1.047 213 V CA 2.205 64.514 62.300 0.016 0.000 1.015 213 V CB -0.812 30.922 31.823 -0.149 0.000 0.642 213 V HN 0.571 nan 8.190 nan 0.000 0.446 214 E N 0.729 120.902 120.200 -0.046 0.000 2.077 214 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 214 E C 2.364 178.973 176.600 0.015 0.000 0.989 214 E CA 1.457 57.837 56.400 -0.034 0.000 0.800 214 E CB -1.002 28.666 29.700 -0.054 0.000 0.746 214 E HN 0.593 nan 8.360 nan 0.000 0.452 215 G N 1.777 110.602 108.800 0.043 0.000 2.553 215 G HA2 -0.304 3.655 3.960 -0.000 0.000 0.218 215 G HA3 -0.304 3.655 3.960 -0.000 0.000 0.218 215 G C 1.801 176.789 174.900 0.147 0.000 1.195 215 G CA 1.988 47.143 45.100 0.092 0.000 0.779 215 G HN 0.430 nan 8.290 nan 0.000 0.577 216 A N 0.411 123.347 122.820 0.193 0.000 1.933 216 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 216 A C 2.336 179.975 177.584 0.090 0.000 1.175 216 A CA 1.982 54.125 52.037 0.177 0.000 0.628 216 A CB -0.460 18.600 19.000 0.101 0.000 0.814 216 A HN 0.407 nan 8.150 nan 0.000 0.444 217 R N -0.321 120.209 120.500 0.049 0.000 2.081 217 R HA -0.103 4.236 4.340 -0.000 0.000 0.235 217 R C 2.287 178.601 176.300 0.024 0.000 1.131 217 R CA 1.568 57.679 56.100 0.018 0.000 0.960 217 R CB -0.453 29.841 30.300 -0.009 0.000 0.856 217 R HN 0.427 nan 8.270 nan 0.000 0.436 218 A N -0.271 122.565 122.820 0.027 0.000 1.883 218 A HA -0.160 4.159 4.320 -0.000 0.000 0.217 218 A C 2.198 179.787 177.584 0.008 0.000 1.186 218 A CA 2.128 54.171 52.037 0.010 0.000 0.624 218 A CB -1.016 17.988 19.000 0.005 0.000 0.822 218 A HN 0.472 nan 8.150 nan 0.000 0.444 219 T N 0.031 114.619 114.554 0.057 0.000 2.821 219 T HA -0.114 4.236 4.350 -0.000 0.000 0.267 219 T C 1.816 176.570 174.700 0.090 0.000 1.046 219 T CA 1.360 63.492 62.100 0.054 0.000 1.139 219 T CB -0.387 68.624 68.868 0.238 0.000 0.871 219 T HN 0.329 nan 8.240 nan 0.000 0.454 220 L N 1.796 123.090 121.223 0.118 0.000 1.971 220 L HA -0.102 4.238 4.340 -0.000 0.000 0.215 220 L C 2.644 179.553 176.870 0.065 0.000 1.072 220 L CA 2.244 57.147 54.840 0.105 0.000 0.758 220 L CB -1.186 40.904 42.059 0.052 0.000 0.889 220 L HN 0.234 nan 8.230 nan 0.000 0.433 221 A N -0.986 121.847 122.820 0.022 0.000 1.892 221 A HA -0.351 3.969 4.320 -0.000 0.000 0.218 221 A C 2.329 179.901 177.584 -0.020 0.000 1.188 221 A CA 2.205 54.242 52.037 0.000 0.000 0.631 221 A CB -0.939 18.053 19.000 -0.013 0.000 0.822 221 A HN 0.737 nan 8.150 nan 0.000 0.447 222 Q N -1.603 118.154 119.800 -0.072 0.000 2.061 222 Q HA -0.231 4.109 4.340 -0.000 0.000 0.204 222 Q C 1.914 177.833 176.000 -0.136 0.000 0.984 222 Q CA 2.140 57.850 55.803 -0.155 0.000 0.846 222 Q CB -0.366 28.201 28.738 -0.286 0.000 0.902 222 Q HN 0.778 nan 8.270 nan 0.000 0.421 223 Y N 0.390 120.693 120.300 0.005 0.000 2.373 223 Y HA -0.124 4.426 4.550 -0.000 0.000 0.293 223 Y C 2.520 178.414 175.900 -0.009 0.000 1.129 223 Y CA 1.136 59.234 58.100 -0.002 0.000 1.226 223 Y CB 0.090 38.554 38.460 0.007 0.000 1.000 223 Y HN 0.221 nan 8.280 nan 0.000 0.549 224 T N -0.121 114.507 114.554 0.122 0.000 2.684 224 T HA -0.249 4.101 4.350 -0.000 0.000 0.267 224 T C 1.925 176.649 174.700 0.039 0.000 1.036 224 T CA 1.601 63.739 62.100 0.062 0.000 1.148 224 T CB -0.234 68.656 68.868 0.037 0.000 0.863 224 T HN 0.319 nan 8.240 nan 0.000 0.436 225 R N 0.550 121.063 120.500 0.021 0.000 2.073 225 R HA 0.003 4.343 4.340 -0.000 0.000 0.234 225 R C 2.416 178.726 176.300 0.018 0.000 1.134 225 R CA 1.216 57.321 56.100 0.007 0.000 0.952 225 R CB -0.427 29.865 30.300 -0.013 0.000 0.850 225 R HN 0.360 nan 8.270 nan 0.000 0.433 226 L N 0.264 121.508 121.223 0.035 0.000 2.083 226 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 226 L C 2.448 179.347 176.870 0.047 0.000 1.083 226 L CA 0.750 55.619 54.840 0.048 0.000 0.752 226 L CB -0.362 41.752 42.059 0.091 0.000 0.899 226 L HN 0.091 nan 8.230 nan 0.000 0.433 227 V N 0.345 120.293 119.914 0.055 0.000 2.220 227 V HA -0.348 3.772 4.120 -0.000 0.000 0.246 227 V C 2.819 178.918 176.094 0.009 0.000 1.049 227 V CA 2.024 64.338 62.300 0.023 0.000 1.003 227 V CB -0.962 30.871 31.823 0.017 0.000 0.634 227 V HN 0.501 nan 8.190 nan 0.000 0.444 228 A N -0.956 121.870 122.820 0.011 0.000 1.927 228 A HA -0.354 3.966 4.320 -0.000 0.000 0.220 228 A C 2.134 179.720 177.584 0.003 0.000 1.185 228 A CA 2.408 54.447 52.037 0.004 0.000 0.639 228 A CB -0.596 18.406 19.000 0.004 0.000 0.820 228 A HN 0.697 nan 8.150 nan 0.000 0.451 229 Q N -0.886 118.917 119.800 0.006 0.000 2.230 229 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 229 Q C 1.287 177.288 176.000 0.002 0.000 0.963 229 Q CA 1.155 56.960 55.803 0.003 0.000 0.866 229 Q CB -0.131 28.609 28.738 0.003 0.000 0.931 229 Q HN 0.619 nan 8.270 nan 0.000 0.452 230 D N 0.720 121.122 120.400 0.002 0.000 2.144 230 D HA -0.142 4.498 4.640 -0.000 0.000 0.200 230 D C 1.852 178.150 176.300 -0.004 0.000 0.978 230 D CA 1.027 55.026 54.000 -0.003 0.000 0.833 230 D CB -0.052 40.740 40.800 -0.012 0.000 0.961 230 D HN 0.313 nan 8.370 nan 0.000 0.470 231 Q N 0.371 120.168 119.800 -0.004 0.000 2.050 231 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 231 Q C 1.857 177.858 176.000 0.001 0.000 0.980 231 Q CA 0.844 56.647 55.803 -0.001 0.000 0.840 231 Q CB -0.134 28.603 28.738 -0.002 0.000 0.898 231 Q HN 0.262 nan 8.270 nan 0.000 0.424 232 N N 0.988 119.688 118.700 -0.000 0.000 2.104 232 N HA -0.155 4.585 4.740 -0.000 0.000 0.190 232 N C 1.711 177.221 175.510 -0.001 0.000 1.024 232 N CA 1.461 54.511 53.050 -0.000 0.000 0.853 232 N CB -0.444 38.043 38.487 -0.001 0.000 1.008 232 N HN 0.254 nan 8.380 nan 0.000 0.424 233 A N 1.104 123.924 122.820 0.000 0.000 1.902 233 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 233 A C 2.255 179.839 177.584 -0.001 0.000 1.181 233 A CA 1.034 53.071 52.037 -0.000 0.000 0.623 233 A CB -0.715 18.286 19.000 0.001 0.000 0.818 233 A HN 0.248 nan 8.150 nan 0.000 0.443 234 L N -0.076 121.148 121.223 0.002 0.000 2.017 234 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 234 L C 2.358 179.225 176.870 -0.006 0.000 1.073 234 L CA 1.970 56.811 54.840 0.003 0.000 0.745 234 L CB -0.604 41.468 42.059 0.021 0.000 0.894 234 L HN 0.139 nan 8.230 nan 0.000 0.432 235 V N -0.386 119.526 119.914 -0.004 0.000 2.295 235 V HA -0.289 3.831 4.120 -0.000 0.000 0.246 235 V C 2.551 178.639 176.094 -0.011 0.000 1.049 235 V CA 1.779 64.074 62.300 -0.008 0.000 1.024 235 V CB -0.770 31.051 31.823 -0.004 0.000 0.648 235 V HN 0.543 nan 8.190 nan 0.000 0.447 236 L N -0.024 121.194 121.223 -0.008 0.000 1.978 236 L HA -0.230 4.110 4.340 -0.000 0.000 0.218 236 L C 2.222 179.083 176.870 -0.014 0.000 1.075 236 L CA 2.111 56.946 54.840 -0.008 0.000 0.767 236 L CB -0.667 41.389 42.059 -0.005 0.000 0.890 236 L HN 0.239 nan 8.230 nan 0.000 0.434 237 L N -1.238 119.975 121.223 -0.018 0.000 2.261 237 L HA -0.223 4.116 4.340 -0.000 0.000 0.216 237 L C 2.339 179.185 176.870 -0.041 0.000 1.114 237 L CA 0.855 55.678 54.840 -0.028 0.000 0.777 237 L CB -0.478 41.562 42.059 -0.032 0.000 0.910 237 L HN 0.351 nan 8.230 nan 0.000 0.440 238 L N -1.045 120.156 121.223 -0.038 0.000 2.270 238 L HA 0.076 4.416 4.340 -0.000 0.000 0.210 238 L C 2.016 178.867 176.870 -0.033 0.000 1.104 238 L CA 0.731 55.544 54.840 -0.045 0.000 0.804 238 L CB -0.718 41.317 42.059 -0.041 0.000 0.937 238 L HN 0.469 nan 8.230 nan 0.000 0.450 239 G N 0.348 109.135 108.800 -0.022 0.000 2.270 239 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.268 239 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.268 239 G C 0.483 175.376 174.900 -0.013 0.000 0.982 239 G CA 0.783 45.874 45.100 -0.015 0.000 0.628 239 G HN 0.533 nan 8.290 nan 0.000 0.544 240 S N -0.787 114.903 115.700 -0.016 0.000 2.709 240 S HA 0.822 5.292 4.470 -0.000 0.000 0.302 240 S C 0.649 175.242 174.600 -0.012 0.000 1.127 240 S CA 0.358 58.550 58.200 -0.012 0.000 0.905 240 S CB 1.727 64.920 63.200 -0.012 0.000 1.151 240 S HN 1.627 nan 8.310 nan 0.000 0.510 241 G N -0.065 108.730 108.800 -0.009 0.000 2.667 241 G HA2 0.452 4.412 3.960 -0.000 0.000 0.250 241 G HA3 0.452 4.412 3.960 -0.000 0.000 0.250 241 G C -0.249 174.646 174.900 -0.008 0.000 1.212 241 G CA -0.924 44.171 45.100 -0.007 0.000 0.874 241 G HN 0.784 nan 8.290 nan 0.000 0.561 242 I N 2.095 122.663 120.570 -0.004 0.000 2.581 242 I HA 0.078 4.247 4.170 -0.000 0.000 0.285 242 I C -1.417 174.698 176.117 -0.003 0.000 1.129 242 I CA -1.004 60.294 61.300 -0.002 0.000 1.397 242 I CB 0.718 38.722 38.000 0.007 0.000 1.399 242 I HN 0.271 nan 8.210 nan 0.000 0.537 243 P HA 0.069 nan 4.420 nan 0.000 0.270 243 P C 0.382 177.681 177.300 -0.002 0.000 1.227 243 P CA -0.239 62.858 63.100 -0.005 0.000 0.788 243 P CB 0.679 32.373 31.700 -0.009 0.000 0.926 244 A N 1.882 124.701 122.820 -0.001 0.000 1.825 244 A HA -0.122 4.198 4.320 -0.000 0.000 0.214 244 A C 0.846 178.431 177.584 0.001 0.000 1.206 244 A CA 1.757 53.794 52.037 -0.000 0.000 0.609 244 A CB -1.184 17.816 19.000 -0.001 0.000 0.851 244 A HN 0.765 nan 8.150 nan 0.000 0.445 245 N N 0.071 118.771 118.700 0.000 0.000 2.914 245 N HA 0.421 5.161 4.740 -0.000 0.000 0.304 245 N C -0.803 174.708 175.510 0.001 0.000 1.727 245 N CA -0.283 52.767 53.050 0.001 0.000 0.986 245 N CB -0.327 38.160 38.487 0.000 0.000 1.297 245 N HN 0.367 nan 8.380 nan 0.000 0.490 246 L N 0.015 121.240 121.223 0.003 0.000 2.506 246 L HA 0.204 4.543 4.340 -0.000 0.000 0.281 246 L C -1.530 175.344 176.870 0.006 0.000 1.228 246 L CA -1.321 53.521 54.840 0.004 0.000 0.850 246 L CB -0.135 41.931 42.059 0.012 0.000 1.110 246 L HN 0.202 nan 8.230 nan 0.000 0.496 247 P HA 0.058 nan 4.420 nan 0.000 0.275 247 P C -0.875 176.434 177.300 0.014 0.000 1.228 247 P CA -0.611 62.492 63.100 0.005 0.000 0.786 247 P CB 0.456 32.156 31.700 0.000 0.000 0.927 248 Q N 1.534 121.343 119.800 0.014 0.000 2.478 248 Q HA 0.145 4.485 4.340 -0.000 0.000 0.323 248 Q C 0.570 176.589 176.000 0.032 0.000 1.087 248 Q CA 0.755 56.570 55.803 0.020 0.000 1.056 248 Q CB -0.453 28.292 28.738 0.011 0.000 1.018 248 Q HN 0.655 nan 8.270 nan 0.000 0.387 249 G N 3.296 112.130 108.800 0.056 0.000 2.535 249 G HA2 0.520 4.480 3.960 -0.000 0.000 0.282 249 G HA3 0.520 4.480 3.960 -0.000 0.000 0.282 249 G C -0.926 174.012 174.900 0.064 0.000 1.350 249 G CA -0.741 44.416 45.100 0.095 0.000 1.039 249 G HN 0.624 nan 8.290 nan 0.000 0.509 250 L N -0.350 120.920 121.223 0.079 0.000 2.342 250 L HA 0.544 4.884 4.340 -0.000 0.000 0.271 250 L C 1.054 177.932 176.870 0.013 0.000 1.008 250 L CA -0.975 53.886 54.840 0.036 0.000 0.818 250 L CB 2.000 44.078 42.059 0.032 0.000 1.296 250 L HN 0.694 nan 8.230 nan 0.000 0.427 251 G N 1.040 109.833 108.800 -0.011 0.000 2.667 251 G HA2 0.278 4.238 3.960 -0.000 0.000 0.250 251 G HA3 0.278 4.238 3.960 -0.000 0.000 0.250 251 G C 0.662 175.538 174.900 -0.039 0.000 1.212 251 G CA -0.446 44.633 45.100 -0.034 0.000 0.874 251 G HN 0.642 nan 8.290 nan 0.000 0.561 252 L N 0.149 121.337 121.223 -0.058 0.000 2.478 252 L HA 0.059 4.399 4.340 -0.000 0.000 0.223 252 L C 1.803 178.644 176.870 -0.048 0.000 1.140 252 L CA 0.651 55.456 54.840 -0.060 0.000 0.842 252 L CB -0.052 41.959 42.059 -0.079 0.000 0.953 252 L HN 0.661 nan 8.230 nan 0.000 0.452 253 D N -1.216 119.160 120.400 -0.041 0.000 2.319 253 D HA -0.029 4.611 4.640 -0.000 0.000 0.230 253 D C 0.388 176.673 176.300 -0.025 0.000 1.094 253 D CA 0.067 54.048 54.000 -0.032 0.000 0.856 253 D CB 0.122 40.905 40.800 -0.029 0.000 0.915 253 D HN 0.339 nan 8.370 nan 0.000 0.517 254 Q N -0.111 119.674 119.800 -0.025 0.000 2.387 254 Q HA 0.348 4.688 4.340 -0.000 0.000 0.273 254 Q C -0.610 175.376 176.000 -0.023 0.000 1.089 254 Q CA -0.783 55.008 55.803 -0.020 0.000 0.824 254 Q CB 1.909 30.639 28.738 -0.014 0.000 1.367 254 Q HN -0.080 nan 8.270 nan 0.000 0.443 255 T N 2.455 116.996 114.554 -0.023 0.000 2.751 255 T HA 0.076 4.426 4.350 -0.000 0.000 0.279 255 T C 0.928 175.603 174.700 -0.041 0.000 0.941 255 T CA 0.412 62.492 62.100 -0.032 0.000 1.192 255 T CB -0.083 68.768 68.868 -0.028 0.000 0.883 255 T HN 0.400 nan 8.240 nan 0.000 0.534 256 L N 2.876 124.065 121.223 -0.057 0.000 2.515 256 L HA 0.370 4.710 4.340 -0.000 0.000 0.223 256 L C 0.328 177.109 176.870 -0.148 0.000 1.079 256 L CA 0.423 55.227 54.840 -0.059 0.000 0.857 256 L CB 0.069 42.113 42.059 -0.025 0.000 1.050 256 L HN 0.444 nan 8.230 nan 0.000 0.476 257 L N -1.165 119.930 121.223 -0.213 0.000 2.388 257 L HA 0.428 4.767 4.340 -0.000 0.000 0.264 257 L C -0.392 176.339 176.870 -0.231 0.000 0.998 257 L CA -0.558 54.026 54.840 -0.427 0.000 0.817 257 L CB 2.120 43.824 42.059 -0.592 0.000 1.338 257 L HN -0.266 nan 8.230 nan 0.000 0.414 258 T N 1.020 115.448 114.554 -0.210 0.000 2.851 258 T HA 0.052 4.401 4.350 -0.000 0.000 0.298 258 T C 0.059 174.809 174.700 0.084 0.000 0.977 258 T CA -0.102 61.986 62.100 -0.022 0.000 1.126 258 T CB 0.699 69.580 68.868 0.022 0.000 0.916 258 T HN 0.464 nan 8.240 nan 0.000 0.529 259 E N 2.854 123.088 120.200 0.057 0.000 2.351 259 E HA 0.144 4.494 4.350 -0.000 0.000 0.266 259 E C -0.738 175.908 176.600 0.078 0.000 1.031 259 E CA -0.214 56.233 56.400 0.078 0.000 0.911 259 E CB 0.518 30.247 29.700 0.048 0.000 0.986 259 E HN 0.258 nan 8.360 nan 0.000 0.446 260 V N 7.679 127.644 119.914 0.084 0.000 2.481 260 V HA 0.295 4.415 4.120 -0.000 0.000 0.286 260 V C -1.876 174.230 176.094 0.020 0.000 1.042 260 V CA -1.590 60.728 62.300 0.030 0.000 0.928 260 V CB 1.612 33.400 31.823 -0.060 0.000 0.986 260 V HN 0.715 nan 8.190 nan 0.000 0.462 261 P HA 0.240 nan 4.420 nan 0.000 0.278 261 P C 0.312 177.620 177.300 0.013 0.000 1.238 261 P CA -0.300 62.813 63.100 0.021 0.000 0.794 261 P CB 1.487 33.203 31.700 0.027 0.000 0.955 262 A N 2.913 125.743 122.820 0.016 0.000 1.933 262 A HA 0.179 4.498 4.320 -0.000 0.000 0.218 262 A C 1.343 178.988 177.584 0.102 0.000 1.175 262 A CA 1.696 53.739 52.037 0.010 0.000 0.628 262 A CB -1.613 17.400 19.000 0.021 0.000 0.814 262 A HN 0.907 nan 8.150 nan 0.000 0.444 263 G N -1.700 107.156 108.800 0.094 0.000 2.601 263 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.261 263 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.261 263 G C -0.240 174.743 174.900 0.139 0.000 1.289 263 G CA 0.106 45.264 45.100 0.096 0.000 0.920 263 G HN 0.853 nan 8.290 nan 0.000 0.571 264 L N 0.765 122.027 121.223 0.065 0.000 2.342 264 L HA 0.409 4.749 4.340 -0.000 0.000 0.271 264 L C -1.365 175.427 176.870 -0.130 0.000 1.008 264 L CA -1.968 52.837 54.840 -0.057 0.000 0.818 264 L CB 2.353 44.377 42.059 -0.059 0.000 1.296 264 L HN 0.345 nan 8.230 nan 0.000 0.427 265 P HA -0.219 nan 4.420 nan 0.000 0.218 265 P C 1.487 178.752 177.300 -0.060 0.000 1.146 265 P CA 1.474 64.383 63.100 -0.318 0.000 0.820 265 P CB 0.198 31.718 31.700 -0.299 0.000 0.778 266 S N -1.325 114.338 115.700 -0.061 0.000 2.402 266 S HA -0.159 4.311 4.470 -0.000 0.000 0.229 266 S C 1.642 176.243 174.600 0.001 0.000 1.021 266 S CA 1.151 59.338 58.200 -0.023 0.000 0.974 266 S CB -1.221 61.962 63.200 -0.028 0.000 0.800 266 S HN 0.109 nan 8.310 nan 0.000 0.484 267 D N 1.982 122.387 120.400 0.007 0.000 2.315 267 D HA -0.063 4.577 4.640 -0.000 0.000 0.211 267 D C 1.751 178.063 176.300 0.021 0.000 0.977 267 D CA 0.845 54.856 54.000 0.018 0.000 0.894 267 D CB -0.329 40.488 40.800 0.028 0.000 0.910 267 D HN 0.455 nan 8.370 nan 0.000 0.490 268 L N 0.164 121.405 121.223 0.030 0.000 2.156 268 L HA -0.091 4.248 4.340 -0.000 0.000 0.208 268 L C 2.469 179.343 176.870 0.008 0.000 1.095 268 L CA 0.478 55.332 54.840 0.023 0.000 0.770 268 L CB -0.307 41.781 42.059 0.047 0.000 0.914 268 L HN 0.022 nan 8.230 nan 0.000 0.439 269 L N -0.882 120.351 121.223 0.016 0.000 2.275 269 L HA -0.181 4.159 4.340 -0.000 0.000 0.215 269 L C 1.891 178.793 176.870 0.053 0.000 1.119 269 L CA 1.110 55.975 54.840 0.041 0.000 0.790 269 L CB -0.316 41.777 42.059 0.057 0.000 0.919 269 L HN 0.347 nan 8.230 nan 0.000 0.443 270 Q N -1.286 118.531 119.800 0.027 0.000 2.164 270 Q HA 0.156 4.495 4.340 -0.000 0.000 0.226 270 Q C 1.289 177.291 176.000 0.003 0.000 0.813 270 Q CA 0.016 55.830 55.803 0.018 0.000 0.978 270 Q CB 0.901 29.649 28.738 0.016 0.000 1.149 270 Q HN 0.215 nan 8.270 nan 0.000 0.489 271 R N -1.126 119.372 120.500 -0.003 0.000 2.539 271 R HA 0.238 4.578 4.340 -0.000 0.000 0.342 271 R C -0.168 176.112 176.300 -0.032 0.000 0.941 271 R CA -0.237 55.854 56.100 -0.016 0.000 1.146 271 R CB 1.057 31.353 30.300 -0.007 0.000 1.541 271 R HN -0.230 nan 8.270 nan 0.000 0.525 272 R N 1.645 122.127 120.500 -0.030 0.000 2.230 272 R HA 0.221 4.561 4.340 -0.000 0.000 0.337 272 R C -2.142 174.131 176.300 -0.046 0.000 1.063 272 R CA -2.354 53.721 56.100 -0.042 0.000 0.935 272 R CB 0.952 31.231 30.300 -0.034 0.000 1.121 272 R HN -0.106 nan 8.270 nan 0.000 0.486 273 P HA -0.215 nan 4.420 nan 0.000 0.218 273 P C 0.247 177.512 177.300 -0.058 0.000 1.152 273 P CA 1.732 64.782 63.100 -0.084 0.000 0.857 273 P CB 0.254 31.895 31.700 -0.098 0.000 0.787 274 D N -2.493 117.881 120.400 -0.044 0.000 2.339 274 D HA 0.007 4.647 4.640 -0.000 0.000 0.217 274 D C 1.631 177.921 176.300 -0.017 0.000 1.050 274 D CA 0.183 54.164 54.000 -0.030 0.000 0.856 274 D CB -0.824 39.958 40.800 -0.031 0.000 0.922 274 D HN 0.166 nan 8.370 nan 0.000 0.518 275 I N 0.131 120.687 120.570 -0.023 0.000 2.400 275 I HA -0.080 4.090 4.170 -0.000 0.000 0.248 275 I C 2.114 178.292 176.117 0.102 0.000 1.109 275 I CA 0.447 61.730 61.300 -0.029 0.000 1.425 275 I CB -0.007 37.940 38.000 -0.088 0.000 1.094 275 I HN 0.035 nan 8.210 nan 0.000 0.425 276 L N 0.599 121.855 121.223 0.055 0.000 2.131 276 L HA -0.216 4.123 4.340 -0.000 0.000 0.210 276 L C 2.567 179.472 176.870 0.059 0.000 1.092 276 L CA 1.322 56.186 54.840 0.040 0.000 0.759 276 L CB -0.529 41.531 42.059 0.000 0.000 0.903 276 L HN 0.366 nan 8.230 nan 0.000 0.435 277 E N 0.674 120.908 120.200 0.057 0.000 2.072 277 E HA -0.205 4.144 4.350 -0.000 0.000 0.190 277 E C 2.231 178.876 176.600 0.074 0.000 0.982 277 E CA 1.069 57.502 56.400 0.055 0.000 0.803 277 E CB 0.052 29.741 29.700 -0.018 0.000 0.755 277 E HN 0.419 nan 8.360 nan 0.000 0.453 278 A N 1.305 124.188 122.820 0.104 0.000 1.972 278 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 278 A C 2.028 179.740 177.584 0.213 0.000 1.169 278 A CA 1.601 53.742 52.037 0.173 0.000 0.635 278 A CB -0.511 18.612 19.000 0.205 0.000 0.810 278 A HN 0.418 nan 8.150 nan 0.000 0.446 279 E N -1.136 119.172 120.200 0.180 0.000 2.072 279 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 279 E C 1.793 178.243 176.600 -0.249 0.000 0.985 279 E CA 0.898 57.204 56.400 -0.157 0.000 0.801 279 E CB -0.189 29.423 29.700 -0.147 0.000 0.750 279 E HN 0.737 nan 8.360 nan 0.000 0.452 280 H N -0.011 118.993 119.070 -0.110 0.000 2.457 280 H HA -0.028 4.528 4.556 -0.000 0.000 0.294 280 H C 1.940 177.193 175.328 -0.125 0.000 1.064 280 H CA 0.903 56.862 56.048 -0.149 0.000 1.330 280 H CB 0.333 30.016 29.762 -0.133 0.000 1.395 280 H HN 0.211 nan 8.280 nan 0.000 0.541 281 Q N 0.087 119.903 119.800 0.027 0.000 2.389 281 Q HA -0.033 4.307 4.340 -0.000 0.000 0.204 281 Q C 2.343 178.330 176.000 -0.022 0.000 0.944 281 Q CA 0.156 55.962 55.803 0.005 0.000 0.908 281 Q CB -0.057 28.691 28.738 0.017 0.000 1.002 281 Q HN 0.312 nan 8.270 nan 0.000 0.493 282 L N -0.134 121.050 121.223 -0.065 0.000 2.095 282 L HA 0.032 4.371 4.340 -0.000 0.000 0.204 282 L C 1.998 178.786 176.870 -0.136 0.000 1.080 282 L CA 1.439 56.227 54.840 -0.086 0.000 0.759 282 L CB -0.245 41.738 42.059 -0.126 0.000 0.914 282 L HN 0.092 nan 8.230 nan 0.000 0.439 283 M N -1.312 118.133 119.600 -0.259 0.000 2.394 283 M HA -0.063 4.416 4.480 -0.000 0.000 0.264 283 M C 2.045 178.270 176.300 -0.124 0.000 1.073 283 M CA 1.160 56.267 55.300 -0.322 0.000 1.111 283 M CB -0.279 32.029 32.600 -0.487 0.000 1.401 283 M HN 0.408 nan 8.290 nan 0.000 0.448 284 A N 0.226 123.013 122.820 -0.056 0.000 1.878 284 A HA 0.130 4.449 4.320 -0.000 0.000 0.213 284 A C 2.326 179.912 177.584 0.004 0.000 1.192 284 A CA 1.337 53.375 52.037 0.000 0.000 0.619 284 A CB -0.785 18.232 19.000 0.029 0.000 0.837 284 A HN 0.424 nan 8.150 nan 0.000 0.446 285 A N 0.265 123.079 122.820 -0.010 0.000 2.024 285 A HA -0.226 4.093 4.320 -0.000 0.000 0.220 285 A C 1.978 179.556 177.584 -0.010 0.000 1.164 285 A CA 1.722 53.752 52.037 -0.012 0.000 0.643 285 A CB -0.843 18.141 19.000 -0.026 0.000 0.806 285 A HN 0.712 nan 8.150 nan 0.000 0.451 286 N N 0.021 118.710 118.700 -0.017 0.000 2.216 286 N HA -0.083 4.656 4.740 -0.000 0.000 0.183 286 N C 1.844 177.361 175.510 0.011 0.000 1.017 286 N CA 1.034 54.083 53.050 -0.002 0.000 0.861 286 N CB -0.160 38.322 38.487 -0.009 0.000 0.986 286 N HN 0.389 nan 8.380 nan 0.000 0.428 287 A N -0.120 122.706 122.820 0.010 0.000 2.066 287 A HA -0.021 4.299 4.320 -0.000 0.000 0.218 287 A C 2.170 179.776 177.584 0.037 0.000 1.157 287 A CA 1.043 53.097 52.037 0.029 0.000 0.670 287 A CB -0.479 18.543 19.000 0.036 0.000 0.804 287 A HN 0.346 nan 8.150 nan 0.000 0.453 288 S N -0.781 114.939 115.700 0.032 0.000 2.522 288 S HA 0.049 4.519 4.470 -0.000 0.000 0.227 288 S C 1.621 176.244 174.600 0.038 0.000 0.986 288 S CA 0.536 58.760 58.200 0.040 0.000 0.929 288 S CB -0.583 62.641 63.200 0.039 0.000 0.769 288 S HN 0.526 nan 8.310 nan 0.000 0.529 289 I N 0.828 121.416 120.570 0.029 0.000 2.233 289 I HA -0.004 4.166 4.170 -0.000 0.000 0.243 289 I C 2.719 178.854 176.117 0.031 0.000 1.093 289 I CA 1.065 62.382 61.300 0.029 0.000 1.380 289 I CB -0.809 37.204 38.000 0.021 0.000 1.067 289 I HN 0.369 nan 8.210 nan 0.000 0.413 290 G N 0.689 109.508 108.800 0.032 0.000 2.446 290 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 290 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 290 G C 1.838 176.756 174.900 0.030 0.000 1.168 290 G CA 0.843 45.962 45.100 0.033 0.000 0.771 290 G HN 0.482 nan 8.290 nan 0.000 0.551 291 A N 0.680 123.523 122.820 0.038 0.000 2.070 291 A HA 0.346 4.666 4.320 -0.000 0.000 0.220 291 A C 2.613 180.210 177.584 0.022 0.000 1.159 291 A CA 2.088 54.145 52.037 0.035 0.000 0.656 291 A CB -0.383 18.643 19.000 0.042 0.000 0.800 291 A HN 0.756 nan 8.150 nan 0.000 0.453 292 A N -1.176 121.662 122.820 0.031 0.000 2.030 292 A HA 0.147 4.467 4.320 -0.000 0.000 0.215 292 A C 2.126 179.734 177.584 0.039 0.000 1.164 292 A CA 0.862 52.919 52.037 0.034 0.000 0.697 292 A CB -0.163 18.875 19.000 0.063 0.000 0.827 292 A HN 0.441 nan 8.150 nan 0.000 0.457 293 R N -0.915 119.606 120.500 0.035 0.000 2.254 293 R HA 0.204 4.543 4.340 -0.000 0.000 0.195 293 R C 1.806 178.048 176.300 -0.098 0.000 0.957 293 R CA 0.699 56.833 56.100 0.057 0.000 1.024 293 R CB 0.003 30.292 30.300 -0.019 0.000 0.952 293 R HN 0.427 nan 8.270 nan 0.000 0.484 294 A N 0.229 122.949 122.820 -0.166 0.000 2.238 294 A HA 0.129 4.448 4.320 -0.000 0.000 0.208 294 A C 1.967 179.387 177.584 -0.273 0.000 1.177 294 A CA 0.845 52.673 52.037 -0.348 0.000 0.804 294 A CB -0.114 18.815 19.000 -0.118 0.000 0.823 294 A HN 0.333 nan 8.150 nan 0.000 0.482 295 A N -0.608 122.122 122.820 -0.150 0.000 2.019 295 A HA 0.046 4.366 4.320 -0.000 0.000 0.219 295 A C 1.691 179.146 177.584 -0.216 0.000 1.164 295 A CA 1.055 52.998 52.037 -0.156 0.000 0.644 295 A CB -0.629 18.277 19.000 -0.156 0.000 0.805 295 A HN 0.458 nan 8.150 nan 0.000 0.449 296 F N 0.342 120.080 119.950 -0.353 0.000 1.988 296 F HA -0.013 4.514 4.527 -0.000 0.000 0.296 296 F C 1.051 176.685 175.800 -0.276 0.000 1.178 296 F CA 1.415 59.214 58.000 -0.335 0.000 1.174 296 F CB -0.866 37.875 39.000 -0.433 0.000 0.963 296 F HN 0.327 nan 8.300 nan 0.000 0.489 297 F N 0.511 120.456 119.950 -0.008 0.000 2.410 297 F HA 0.525 5.051 4.527 -0.000 0.000 0.348 297 F C -2.434 173.246 175.800 -0.200 0.000 1.106 297 F CA -4.512 53.398 58.000 -0.150 0.000 1.163 297 F CB -1.486 37.364 39.000 -0.250 0.000 1.129 297 F HN -0.198 nan 8.300 nan 0.000 0.516 298 P HA -0.091 nan 4.420 nan 0.000 0.273 298 P C -0.388 177.071 177.300 0.264 0.000 1.193 298 P CA 0.460 63.670 63.100 0.184 0.000 0.777 298 P CB 0.302 32.116 31.700 0.189 0.000 0.803 299 S N 0.770 116.571 115.700 0.168 0.000 2.664 299 S HA 0.845 5.314 4.470 -0.000 0.000 0.304 299 S C -0.175 174.478 174.600 0.088 0.000 1.099 299 S CA -0.900 57.389 58.200 0.147 0.000 1.003 299 S CB 1.230 64.474 63.200 0.074 0.000 1.092 299 S HN 0.395 nan 8.310 nan 0.000 0.525 300 I N -0.936 119.656 120.570 0.037 0.000 2.529 300 I HA 0.516 4.686 4.170 -0.000 0.000 0.284 300 I C -0.463 175.630 176.117 -0.041 0.000 1.088 300 I CA -0.713 60.592 61.300 0.008 0.000 1.062 300 I CB 1.914 39.918 38.000 0.006 0.000 1.218 300 I HN 0.568 nan 8.210 nan 0.000 0.442 301 S N 6.715 122.406 115.700 -0.015 0.000 2.464 301 S HA 0.320 4.790 4.470 -0.000 0.000 0.313 301 S C -0.061 174.560 174.600 0.036 0.000 1.078 301 S CA -0.614 57.575 58.200 -0.019 0.000 1.096 301 S CB 0.548 63.751 63.200 0.005 0.000 1.032 301 S HN 0.636 nan 8.310 nan 0.000 0.498 302 L N 6.695 127.940 121.223 0.036 0.000 2.450 302 L HA 0.285 4.625 4.340 -0.000 0.000 0.256 302 L C 0.544 177.514 176.870 0.167 0.000 1.374 302 L CA 0.690 55.593 54.840 0.105 0.000 1.210 302 L CB -0.936 41.189 42.059 0.110 0.000 1.394 302 L HN 0.715 nan 8.230 nan 0.000 0.438 324 W N 1.718 122.934 121.300 -0.140 0.000 3.645 324 W HA 0.739 5.398 4.660 -0.000 0.000 0.285 324 W C -2.822 173.433 176.519 -0.440 0.000 1.266 324 W CA -1.131 56.038 57.345 -0.293 0.000 1.212 324 W CB 0.421 29.711 29.460 -0.283 0.000 1.306 324 W HN 0.644 nan 8.180 nan 0.000 0.552 325 L N 2.869 123.894 121.223 -0.330 0.000 2.556 325 L HA 0.590 4.929 4.340 -0.000 0.000 0.257 325 L C -1.582 175.013 176.870 -0.459 0.000 0.955 325 L CA -0.687 53.927 54.840 -0.376 0.000 0.850 325 L CB 2.916 44.853 42.059 -0.204 0.000 1.398 325 L HN 0.429 nan 8.230 nan 0.000 0.412 326 F N 1.731 121.814 119.950 0.221 0.000 2.496 326 F HA 0.440 4.967 4.527 -0.000 0.000 0.341 326 F C -0.152 175.712 175.800 0.107 0.000 1.134 326 F CA -0.646 57.443 58.000 0.148 0.000 0.968 326 F CB 1.820 40.899 39.000 0.132 0.000 1.205 326 F HN 0.288 nan 8.300 nan 0.000 0.436 327 Q N 5.470 125.410 119.800 0.232 0.000 2.508 327 Q HA 0.436 4.776 4.340 -0.000 0.000 0.247 327 Q C -2.787 173.288 176.000 0.125 0.000 1.047 327 Q CA -2.191 53.700 55.803 0.146 0.000 0.783 327 Q CB 1.312 30.106 28.738 0.094 0.000 1.172 327 Q HN 0.193 nan 8.270 nan 0.000 0.515 328 P HA 0.178 nan 4.420 nan 0.000 0.276 328 P C -0.986 176.352 177.300 0.062 0.000 1.243 328 P CA 0.001 63.147 63.100 0.077 0.000 0.768 328 P CB 1.408 33.147 31.700 0.065 0.000 0.856 329 S N 2.419 118.150 115.700 0.052 0.000 2.638 329 S HA 0.592 5.062 4.470 -0.000 0.000 0.298 329 S C 0.338 174.967 174.600 0.050 0.000 1.111 329 S CA -0.662 57.567 58.200 0.048 0.000 1.027 329 S CB 0.709 63.934 63.200 0.042 0.000 1.064 329 S HN 0.252 nan 8.310 nan 0.000 0.525 330 I N 1.917 122.518 120.570 0.052 0.000 2.707 330 I HA 0.528 4.698 4.170 -0.000 0.000 0.309 330 I C -0.099 176.052 176.117 0.056 0.000 1.001 330 I CA -0.717 60.621 61.300 0.064 0.000 1.129 330 I CB 1.055 39.095 38.000 0.066 0.000 1.308 330 I HN 0.392 nan 8.210 nan 0.000 0.466 331 N N 4.127 122.865 118.700 0.064 0.000 2.572 331 N HA 0.373 5.112 4.740 -0.000 0.000 0.287 331 N C -2.139 173.400 175.510 0.048 0.000 1.136 331 N CA -0.381 52.696 53.050 0.045 0.000 0.900 331 N CB 2.095 40.598 38.487 0.027 0.000 1.484 331 N HN 0.481 nan 8.380 nan 0.000 0.526 332 L N 4.961 126.211 121.223 0.045 0.000 2.343 332 L HA 0.699 5.039 4.340 -0.000 0.000 0.278 332 L C -2.326 174.561 176.870 0.027 0.000 0.996 332 L CA -1.323 53.547 54.840 0.049 0.000 0.831 332 L CB 1.212 43.316 42.059 0.075 0.000 1.232 332 L HN 0.393 nan 8.230 nan 0.000 0.413 333 P HA 0.434 nan 4.420 nan 0.000 0.274 333 P C 0.026 177.338 177.300 0.020 0.000 1.231 333 P CA -0.211 62.878 63.100 -0.018 0.000 0.790 333 P CB 1.169 32.817 31.700 -0.086 0.000 0.951 334 I N -1.029 119.566 120.570 0.042 0.000 3.990 334 I HA 0.309 4.479 4.170 -0.000 0.000 0.275 334 I C 0.078 176.308 176.117 0.189 0.000 1.157 334 I CA 0.199 61.559 61.300 0.100 0.000 1.338 334 I CB 0.332 38.395 38.000 0.105 0.000 1.588 334 I HN 0.280 nan 8.210 nan 0.000 0.441 340 L N 2.248 123.385 121.223 -0.144 0.000 2.349 340 L HA 0.611 4.951 4.340 -0.000 0.000 0.200 340 L C 1.974 178.751 176.870 -0.155 0.000 1.064 340 L CA 1.261 55.963 54.840 -0.230 0.000 0.821 340 L CB -0.467 41.363 42.059 -0.380 0.000 1.027 340 L HN 0.310 nan 8.230 nan 0.000 0.476 341 R N -0.684 119.774 120.500 -0.070 0.000 2.299 341 R HA 0.122 4.461 4.340 -0.000 0.000 0.197 341 R C 1.733 178.051 176.300 0.030 0.000 0.971 341 R CA 0.739 56.854 56.100 0.025 0.000 1.030 341 R CB 0.124 30.460 30.300 0.060 0.000 0.932 341 R HN 0.467 nan 8.270 nan 0.000 0.477 342 A N -0.152 122.668 122.820 0.000 0.000 1.835 342 A HA -0.118 4.202 4.320 -0.000 0.000 0.213 342 A C 2.000 179.610 177.584 0.044 0.000 1.210 342 A CA 1.394 53.439 52.037 0.014 0.000 0.605 342 A CB -0.892 18.095 19.000 -0.022 0.000 0.860 342 A HN 0.363 nan 8.150 nan 0.000 0.447 343 S N -0.383 115.321 115.700 0.007 0.000 2.372 343 S HA -0.246 4.224 4.470 -0.000 0.000 0.227 343 S C 1.974 176.646 174.600 0.119 0.000 1.044 343 S CA 1.885 60.112 58.200 0.045 0.000 1.050 343 S CB -0.726 62.462 63.200 -0.020 0.000 0.901 343 S HN 0.536 nan 8.310 nan 0.000 0.447 344 L N 1.834 123.106 121.223 0.083 0.000 1.987 344 L HA -0.255 4.085 4.340 -0.000 0.000 0.230 344 L C 1.936 178.870 176.870 0.106 0.000 1.089 344 L CA 2.880 57.789 54.840 0.114 0.000 0.802 344 L CB -1.004 41.144 42.059 0.148 0.000 0.905 344 L HN 0.321 nan 8.230 nan 0.000 0.441 345 D N -2.118 118.343 120.400 0.102 0.000 2.117 345 D HA -0.221 4.419 4.640 -0.000 0.000 0.197 345 D C 1.841 178.199 176.300 0.096 0.000 0.987 345 D CA 1.597 55.648 54.000 0.084 0.000 0.829 345 D CB -0.448 40.396 40.800 0.073 0.000 0.961 345 D HN 0.535 nan 8.370 nan 0.000 0.460 346 Y N 1.836 122.143 120.300 0.013 0.000 2.030 346 Y HA -0.321 4.229 4.550 -0.000 0.000 0.274 346 Y C 2.380 178.288 175.900 0.014 0.000 1.153 346 Y CA 2.235 60.341 58.100 0.011 0.000 1.115 346 Y CB -0.714 37.748 38.460 0.005 0.000 0.969 346 Y HN -0.027 nan 8.280 nan 0.000 0.488 347 A N -0.019 122.843 122.820 0.071 0.000 1.986 347 A HA -0.261 4.059 4.320 -0.000 0.000 0.220 347 A C 2.202 179.741 177.584 -0.074 0.000 1.171 347 A CA 2.288 54.309 52.037 -0.027 0.000 0.640 347 A CB -0.650 18.401 19.000 0.086 0.000 0.811 347 A HN 0.616 nan 8.150 nan 0.000 0.451 348 K N -0.574 119.806 120.400 -0.034 0.000 2.186 348 K HA 0.094 4.414 4.320 -0.000 0.000 0.202 348 K C 1.846 178.414 176.600 -0.052 0.000 1.052 348 K CA 1.105 57.376 56.287 -0.027 0.000 0.965 348 K CB -0.186 32.316 32.500 0.003 0.000 0.746 348 K HN 0.785 nan 8.250 nan 0.000 0.457 349 I N -1.535 118.988 120.570 -0.078 0.000 2.406 349 I HA -0.120 4.050 4.170 -0.000 0.000 0.249 349 I C 2.229 178.262 176.117 -0.140 0.000 1.122 349 I CA 0.944 62.193 61.300 -0.084 0.000 1.431 349 I CB -0.367 37.602 38.000 -0.053 0.000 1.087 349 I HN -0.050 nan 8.210 nan 0.000 0.424 350 Q N 2.184 121.824 119.800 -0.267 0.000 2.152 350 Q HA -0.237 4.102 4.340 -0.000 0.000 0.206 350 Q C 2.248 178.165 176.000 -0.138 0.000 0.985 350 Q CA 1.922 57.555 55.803 -0.283 0.000 0.863 350 Q CB -0.395 28.062 28.738 -0.468 0.000 0.904 350 Q HN 0.537 nan 8.270 nan 0.000 0.422 351 K N -0.382 119.958 120.400 -0.100 0.000 2.211 351 K HA -0.140 4.180 4.320 -0.000 0.000 0.203 351 K C 1.039 177.621 176.600 -0.029 0.000 1.050 351 K CA 1.326 57.585 56.287 -0.047 0.000 0.945 351 K CB 0.049 32.532 32.500 -0.028 0.000 0.732 351 K HN 0.249 nan 8.250 nan 0.000 0.451 352 D N 0.839 121.217 120.400 -0.037 0.000 2.137 352 D HA -0.061 4.579 4.640 -0.000 0.000 0.202 352 D C 1.981 178.274 176.300 -0.011 0.000 0.970 352 D CA 0.699 54.689 54.000 -0.018 0.000 0.837 352 D CB 0.017 40.806 40.800 -0.020 0.000 0.981 352 D HN 0.223 nan 8.370 nan 0.000 0.475 353 I N 1.114 121.667 120.570 -0.029 0.000 2.151 353 I HA -0.330 3.840 4.170 -0.000 0.000 0.243 353 I C 1.718 177.838 176.117 0.005 0.000 1.080 353 I CA 1.199 62.488 61.300 -0.018 0.000 1.339 353 I CB -0.319 37.658 38.000 -0.038 0.000 1.039 353 I HN -0.044 nan 8.210 nan 0.000 0.409 354 N N -0.039 118.662 118.700 0.002 0.000 2.289 354 N HA -0.121 4.619 4.740 -0.000 0.000 0.184 354 N C 1.720 177.271 175.510 0.068 0.000 1.016 354 N CA 0.731 53.797 53.050 0.028 0.000 0.872 354 N CB -0.093 38.398 38.487 0.008 0.000 0.973 354 N HN 0.110 nan 8.380 nan 0.000 0.433 355 V N 0.688 120.635 119.914 0.054 0.000 2.270 355 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 355 V C 2.241 178.402 176.094 0.111 0.000 1.043 355 V CA 1.871 64.224 62.300 0.088 0.000 1.014 355 V CB -0.849 31.003 31.823 0.048 0.000 0.645 355 V HN 0.361 nan 8.190 nan 0.000 0.447 356 A N -0.754 122.103 122.820 0.061 0.000 1.883 356 A HA -0.319 4.001 4.320 -0.000 0.000 0.217 356 A C 2.117 179.729 177.584 0.047 0.000 1.186 356 A CA 2.173 54.236 52.037 0.043 0.000 0.624 356 A CB -0.557 18.456 19.000 0.022 0.000 0.822 356 A HN 0.654 nan 8.150 nan 0.000 0.444 357 Q N -2.076 117.756 119.800 0.054 0.000 2.084 357 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 357 Q C 2.021 178.065 176.000 0.073 0.000 0.978 357 Q CA 1.786 57.619 55.803 0.050 0.000 0.844 357 Q CB -0.423 28.344 28.738 0.048 0.000 0.898 357 Q HN 0.815 nan 8.270 nan 0.000 0.426 358 Y N 1.963 122.262 120.300 -0.002 0.000 2.097 358 Y HA -0.283 4.267 4.550 -0.000 0.000 0.282 358 Y C 1.793 177.692 175.900 -0.001 0.000 1.152 358 Y CA 2.075 60.175 58.100 0.000 0.000 1.136 358 Y CB -0.057 38.409 38.460 0.010 0.000 0.975 358 Y HN 0.101 nan 8.280 nan 0.000 0.498 359 E N 0.036 120.226 120.200 -0.017 0.000 2.077 359 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 359 E C 2.232 178.761 176.600 -0.117 0.000 0.989 359 E CA 1.344 57.681 56.400 -0.105 0.000 0.800 359 E CB -0.265 29.431 29.700 -0.006 0.000 0.746 359 E HN 0.373 nan 8.360 nan 0.000 0.452 360 K N 0.905 121.269 120.400 -0.060 0.000 2.103 360 K HA -0.181 4.138 4.320 -0.000 0.000 0.207 360 K C 2.115 178.678 176.600 -0.062 0.000 1.048 360 K CA 1.282 57.542 56.287 -0.044 0.000 0.930 360 K CB -0.134 32.356 32.500 -0.017 0.000 0.716 360 K HN 0.124 nan 8.250 nan 0.000 0.444 361 A N 0.999 123.761 122.820 -0.097 0.000 1.969 361 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 361 A C 2.005 179.514 177.584 -0.124 0.000 1.169 361 A CA 1.142 53.117 52.037 -0.104 0.000 0.635 361 A CB -0.353 18.576 19.000 -0.120 0.000 0.810 361 A HN 0.346 nan 8.150 nan 0.000 0.445 362 I N -0.938 119.517 120.570 -0.191 0.000 2.406 362 I HA -0.230 3.940 4.170 -0.000 0.000 0.249 362 I C 2.723 178.826 176.117 -0.023 0.000 1.122 362 I CA 0.968 62.182 61.300 -0.144 0.000 1.431 362 I CB -0.254 37.608 38.000 -0.229 0.000 1.087 362 I HN 0.428 nan 8.210 nan 0.000 0.424 363 Q N 0.068 119.845 119.800 -0.038 0.000 2.046 363 Q HA -0.152 4.188 4.340 -0.000 0.000 0.200 363 Q C 2.212 178.258 176.000 0.077 0.000 0.975 363 Q CA 2.020 57.827 55.803 0.006 0.000 0.836 363 Q CB -0.228 28.491 28.738 -0.032 0.000 0.896 363 Q HN 0.442 nan 8.270 nan 0.000 0.428 364 T N 1.196 115.774 114.554 0.040 0.000 2.720 364 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 364 T C 1.920 176.659 174.700 0.066 0.000 1.037 364 T CA 1.316 63.444 62.100 0.047 0.000 1.144 364 T CB -0.310 68.568 68.868 0.017 0.000 0.864 364 T HN 0.391 nan 8.240 nan 0.000 0.444 365 A N 0.572 123.428 122.820 0.060 0.000 1.933 365 A HA -0.004 4.316 4.320 -0.000 0.000 0.218 365 A C 2.012 179.668 177.584 0.121 0.000 1.175 365 A CA 1.190 53.264 52.037 0.061 0.000 0.628 365 A CB -0.894 18.128 19.000 0.037 0.000 0.814 365 A HN 0.504 nan 8.150 nan 0.000 0.444 366 F N 0.253 120.227 119.950 0.040 0.000 2.163 366 F HA -0.146 4.381 4.527 -0.000 0.000 0.297 366 F C 2.584 178.428 175.800 0.074 0.000 1.094 366 F CA 1.946 60.009 58.000 0.105 0.000 1.290 366 F CB -0.095 38.950 39.000 0.075 0.000 1.017 366 F HN 0.325 nan 8.300 nan 0.000 0.483 367 Q N 0.919 120.885 119.800 0.277 0.000 2.061 367 Q HA -0.261 4.078 4.340 -0.000 0.000 0.204 367 Q C 1.928 177.962 176.000 0.057 0.000 0.984 367 Q CA 2.358 58.265 55.803 0.174 0.000 0.846 367 Q CB -0.364 28.454 28.738 0.133 0.000 0.902 367 Q HN 0.579 nan 8.270 nan 0.000 0.421 368 E N -0.479 119.738 120.200 0.028 0.000 2.072 368 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 368 E C 2.213 178.771 176.600 -0.069 0.000 0.985 368 E CA 1.272 57.669 56.400 -0.006 0.000 0.801 368 E CB 0.105 29.805 29.700 -0.000 0.000 0.750 368 E HN 0.178 nan 8.360 nan 0.000 0.452 369 V N 1.616 121.443 119.914 -0.146 0.000 2.261 369 V HA -0.300 3.819 4.120 -0.000 0.000 0.246 369 V C 2.407 178.264 176.094 -0.396 0.000 1.047 369 V CA 1.912 64.022 62.300 -0.316 0.000 1.015 369 V CB -0.941 30.595 31.823 -0.479 0.000 0.642 369 V HN 0.327 nan 8.190 nan 0.000 0.446 370 A N 0.175 122.741 122.820 -0.423 0.000 1.903 370 A HA -0.335 3.985 4.320 -0.000 0.000 0.219 370 A C 1.967 179.549 177.584 -0.004 0.000 1.191 370 A CA 2.438 54.322 52.037 -0.255 0.000 0.638 370 A CB -0.830 18.074 19.000 -0.159 0.000 0.823 370 A HN 0.572 nan 8.150 nan 0.000 0.451 371 D N -0.576 119.823 120.400 -0.001 0.000 2.117 371 D HA -0.077 4.563 4.640 -0.000 0.000 0.197 371 D C 2.089 178.408 176.300 0.032 0.000 0.987 371 D CA 1.454 55.477 54.000 0.038 0.000 0.829 371 D CB -0.809 40.013 40.800 0.037 0.000 0.961 371 D HN 0.454 nan 8.370 nan 0.000 0.460 372 G N 0.399 109.195 108.800 -0.005 0.000 2.450 372 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.220 372 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.220 372 G C 1.682 176.596 174.900 0.024 0.000 1.130 372 G CA 0.386 45.493 45.100 0.012 0.000 0.760 372 G HN 0.275 nan 8.290 nan 0.000 0.557 373 L N 0.195 121.425 121.223 0.010 0.000 2.209 373 L HA 0.190 4.530 4.340 -0.000 0.000 0.207 373 L C 3.279 180.228 176.870 0.132 0.000 1.094 373 L CA 0.618 55.507 54.840 0.082 0.000 0.790 373 L CB -0.278 41.810 42.059 0.048 0.000 0.932 373 L HN 0.243 nan 8.230 nan 0.000 0.447 374 A N 0.544 123.418 122.820 0.089 0.000 1.933 374 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 374 A C 2.535 180.000 177.584 -0.198 0.000 1.175 374 A CA 1.810 53.674 52.037 -0.288 0.000 0.628 374 A CB -0.564 18.260 19.000 -0.294 0.000 0.814 374 A HN 0.380 nan 8.150 nan 0.000 0.444 375 A N -0.250 122.535 122.820 -0.057 0.000 1.873 375 A HA -0.137 4.183 4.320 -0.000 0.000 0.215 375 A C 2.241 179.904 177.584 0.131 0.000 1.186 375 A CA 1.641 53.693 52.037 0.024 0.000 0.616 375 A CB -0.549 18.627 19.000 0.293 0.000 0.823 375 A HN 0.549 nan 8.150 nan 0.000 0.442 376 R N -0.425 120.147 120.500 0.121 0.000 2.117 376 R HA -0.152 4.188 4.340 -0.000 0.000 0.243 376 R C 2.006 178.342 176.300 0.060 0.000 1.143 376 R CA 1.717 57.883 56.100 0.111 0.000 0.968 376 R CB -0.628 29.721 30.300 0.083 0.000 0.863 376 R HN 0.460 nan 8.270 nan 0.000 0.444 377 G N -1.358 107.441 108.800 -0.003 0.000 2.650 377 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.214 377 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.214 377 G C 1.185 176.037 174.900 -0.080 0.000 1.136 377 G CA 0.970 46.047 45.100 -0.037 0.000 0.789 377 G HN 0.557 nan 8.290 nan 0.000 0.536 378 T N -3.709 110.769 114.554 -0.126 0.000 2.964 378 T HA 0.230 4.580 4.350 -0.000 0.000 0.249 378 T C 1.912 176.526 174.700 -0.143 0.000 1.000 378 T CA -0.293 61.689 62.100 -0.195 0.000 0.992 378 T CB -0.308 68.351 68.868 -0.349 0.000 1.087 378 T HN 0.094 nan 8.240 nan 0.000 0.489 379 F N 2.352 122.286 119.950 -0.027 0.000 2.259 379 F HA 0.026 4.552 4.527 -0.000 0.000 0.298 379 F C 2.834 178.628 175.800 -0.011 0.000 1.088 379 F CA 0.956 58.946 58.000 -0.016 0.000 1.358 379 F CB -0.424 38.571 39.000 -0.008 0.000 1.040 379 F HN 0.121 nan 8.300 nan 0.000 0.505 380 T N -0.341 114.309 114.554 0.159 0.000 2.720 380 T HA -0.204 4.145 4.350 -0.000 0.000 0.268 380 T C 1.610 176.349 174.700 0.066 0.000 1.037 380 T CA 1.711 63.866 62.100 0.093 0.000 1.144 380 T CB -0.236 68.669 68.868 0.060 0.000 0.864 380 T HN 0.196 nan 8.240 nan 0.000 0.444 381 E N 0.824 121.048 120.200 0.040 0.000 2.106 381 E HA -0.084 4.266 4.350 -0.000 0.000 0.192 381 E C 2.211 178.825 176.600 0.024 0.000 0.984 381 E CA 0.731 57.141 56.400 0.016 0.000 0.806 381 E CB -0.147 29.545 29.700 -0.013 0.000 0.750 381 E HN 0.508 nan 8.360 nan 0.000 0.458 382 Q N 0.123 119.947 119.800 0.040 0.000 2.123 382 Q HA -0.070 4.270 4.340 -0.000 0.000 0.199 382 Q C 1.968 178.018 176.000 0.084 0.000 0.966 382 Q CA 0.814 56.649 55.803 0.054 0.000 0.845 382 Q CB 0.059 28.835 28.738 0.064 0.000 0.907 382 Q HN 0.287 nan 8.270 nan 0.000 0.439 383 L N 0.412 121.702 121.223 0.111 0.000 2.141 383 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 383 L C 2.528 179.427 176.870 0.048 0.000 1.094 383 L CA 0.888 55.776 54.840 0.079 0.000 0.763 383 L CB -0.221 41.882 42.059 0.073 0.000 0.908 383 L HN 0.270 nan 8.230 nan 0.000 0.437 384 Q N 0.282 120.107 119.800 0.042 0.000 2.079 384 Q HA -0.139 4.201 4.340 -0.000 0.000 0.200 384 Q C 2.216 178.231 176.000 0.026 0.000 0.974 384 Q CA 1.990 57.810 55.803 0.029 0.000 0.840 384 Q CB -0.238 28.515 28.738 0.024 0.000 0.898 384 Q HN 0.423 nan 8.270 nan 0.000 0.430 385 A N -0.227 122.609 122.820 0.026 0.000 1.930 385 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 385 A C 2.045 179.645 177.584 0.027 0.000 1.175 385 A CA 1.690 53.740 52.037 0.022 0.000 0.627 385 A CB -0.594 18.416 19.000 0.016 0.000 0.815 385 A HN 0.436 nan 8.150 nan 0.000 0.443 386 Q N -0.113 119.707 119.800 0.033 0.000 2.123 386 Q HA -0.029 4.311 4.340 -0.000 0.000 0.199 386 Q C 2.164 178.182 176.000 0.029 0.000 0.966 386 Q CA 1.509 57.332 55.803 0.033 0.000 0.845 386 Q CB -0.238 28.524 28.738 0.040 0.000 0.907 386 Q HN 0.659 nan 8.270 nan 0.000 0.439 387 R N 0.075 120.591 120.500 0.027 0.000 2.081 387 R HA -0.115 4.224 4.340 -0.000 0.000 0.235 387 R C 1.609 177.925 176.300 0.027 0.000 1.131 387 R CA 1.440 57.554 56.100 0.023 0.000 0.960 387 R CB -0.215 30.096 30.300 0.019 0.000 0.856 387 R HN 0.347 nan 8.270 nan 0.000 0.436 388 D N 0.818 121.234 120.400 0.027 0.000 2.144 388 D HA -0.151 4.489 4.640 -0.000 0.000 0.199 388 D C 1.809 178.131 176.300 0.037 0.000 0.984 388 D CA 0.764 54.781 54.000 0.029 0.000 0.834 388 D CB -0.211 40.603 40.800 0.024 0.000 0.955 388 D HN 0.038 nan 8.370 nan 0.000 0.465 389 L N 0.591 121.837 121.223 0.038 0.000 2.046 389 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 389 L C 2.168 179.075 176.870 0.061 0.000 1.077 389 L CA 1.301 56.170 54.840 0.048 0.000 0.747 389 L CB -0.461 41.624 42.059 0.043 0.000 0.896 389 L HN -0.115 nan 8.230 nan 0.000 0.432 390 V N -0.351 119.593 119.914 0.050 0.000 2.343 390 V HA -0.309 3.810 4.120 -0.000 0.000 0.247 390 V C 2.644 178.773 176.094 0.059 0.000 1.051 390 V CA 2.063 64.394 62.300 0.051 0.000 1.036 390 V CB -0.664 31.179 31.823 0.034 0.000 0.654 390 V HN 0.482 nan 8.190 nan 0.000 0.451 391 K N 0.049 120.479 120.400 0.051 0.000 2.032 391 K HA -0.199 4.121 4.320 -0.000 0.000 0.209 391 K C 2.169 178.813 176.600 0.074 0.000 1.048 391 K CA 1.758 58.077 56.287 0.053 0.000 0.927 391 K CB -0.346 32.178 32.500 0.041 0.000 0.712 391 K HN 0.453 nan 8.250 nan 0.000 0.441 392 A N -0.058 122.808 122.820 0.077 0.000 1.968 392 A HA -0.053 4.266 4.320 -0.000 0.000 0.217 392 A C 2.071 179.750 177.584 0.158 0.000 1.169 392 A CA 1.558 53.651 52.037 0.092 0.000 0.638 392 A CB -0.287 18.751 19.000 0.064 0.000 0.812 392 A HN 0.273 nan 8.150 nan 0.000 0.446 393 S N -0.090 115.710 115.700 0.166 0.000 2.402 393 S HA -0.135 4.335 4.470 -0.000 0.000 0.229 393 S C 1.751 176.478 174.600 0.212 0.000 1.021 393 S CA 1.320 59.660 58.200 0.235 0.000 0.974 393 S CB -0.320 62.983 63.200 0.171 0.000 0.800 393 S HN 0.697 nan 8.310 nan 0.000 0.484 394 D N 1.420 121.913 120.400 0.155 0.000 2.084 394 D HA -0.121 4.519 4.640 -0.000 0.000 0.194 394 D C 2.010 178.432 176.300 0.202 0.000 0.990 394 D CA 1.129 55.223 54.000 0.157 0.000 0.826 394 D CB -0.096 40.764 40.800 0.100 0.000 0.971 394 D HN 0.192 nan 8.370 nan 0.000 0.453 395 E N -0.591 119.708 120.200 0.164 0.000 2.110 395 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 395 E C 2.046 178.764 176.600 0.197 0.000 0.988 395 E CA 0.600 57.087 56.400 0.146 0.000 0.804 395 E CB -0.560 29.206 29.700 0.110 0.000 0.745 395 E HN 0.495 nan 8.360 nan 0.000 0.458 396 Y N 0.909 121.255 120.300 0.077 0.000 2.163 396 Y HA -0.273 4.277 4.550 -0.000 0.000 0.288 396 Y C 2.210 178.152 175.900 0.070 0.000 1.136 396 Y CA 1.315 59.452 58.100 0.062 0.000 1.147 396 Y CB -0.988 37.512 38.460 0.066 0.000 0.987 396 Y HN 0.088 nan 8.280 nan 0.000 0.509 397 Y N 1.092 121.335 120.300 -0.096 0.000 2.181 397 Y HA -0.251 4.299 4.550 -0.000 0.000 0.288 397 Y C 2.423 178.275 175.900 -0.079 0.000 1.146 397 Y CA 2.397 60.387 58.100 -0.184 0.000 1.164 397 Y CB -0.540 37.855 38.460 -0.108 0.000 0.982 397 Y HN 0.264 nan 8.280 nan 0.000 0.515 398 Q N 0.056 119.789 119.800 -0.112 0.000 2.046 398 Q HA -0.147 4.193 4.340 -0.000 0.000 0.200 398 Q C 2.353 178.259 176.000 -0.156 0.000 0.975 398 Q CA 1.843 57.544 55.803 -0.171 0.000 0.836 398 Q CB -0.228 28.521 28.738 0.019 0.000 0.896 398 Q HN 0.517 nan 8.270 nan 0.000 0.428 399 L N 0.206 121.399 121.223 -0.049 0.000 1.956 399 L HA -0.264 4.075 4.340 -0.000 0.000 0.216 399 L C 2.520 179.354 176.870 -0.060 0.000 1.073 399 L CA 1.327 56.157 54.840 -0.017 0.000 0.762 399 L CB -0.724 41.372 42.059 0.061 0.000 0.889 399 L HN 0.248 nan 8.230 nan 0.000 0.433 400 A N -0.566 122.208 122.820 -0.077 0.000 2.032 400 A HA -0.331 3.989 4.320 -0.000 0.000 0.221 400 A C 1.900 179.375 177.584 -0.182 0.000 1.165 400 A CA 2.404 54.372 52.037 -0.114 0.000 0.645 400 A CB -0.758 18.124 19.000 -0.195 0.000 0.807 400 A HN 0.564 nan 8.150 nan 0.000 0.453 401 D N -0.955 119.257 120.400 -0.314 0.000 2.120 401 D HA -0.128 4.512 4.640 -0.000 0.000 0.202 401 D C 1.970 178.206 176.300 -0.107 0.000 0.972 401 D CA 1.517 55.339 54.000 -0.296 0.000 0.837 401 D CB -0.085 40.397 40.800 -0.529 0.000 0.989 401 D HN 0.463 nan 8.370 nan 0.000 0.469 402 K N 0.356 120.693 120.400 -0.106 0.000 1.991 402 K HA -0.175 4.145 4.320 -0.000 0.000 0.212 402 K C 2.130 178.716 176.600 -0.023 0.000 1.049 402 K CA 1.402 57.660 56.287 -0.049 0.000 0.932 402 K CB -0.027 32.447 32.500 -0.043 0.000 0.717 402 K HN 0.023 nan 8.250 nan 0.000 0.441 403 R N -0.939 119.553 120.500 -0.014 0.000 2.200 403 R HA -0.179 4.160 4.340 -0.000 0.000 0.234 403 R C 2.286 178.604 176.300 0.031 0.000 1.127 403 R CA 1.480 57.584 56.100 0.006 0.000 0.989 403 R CB -0.473 29.839 30.300 0.020 0.000 0.869 403 R HN 0.387 nan 8.270 nan 0.000 0.459 404 Y N 1.646 121.900 120.300 -0.077 0.000 2.176 404 Y HA -0.074 4.476 4.550 -0.000 0.000 0.291 404 Y C 2.164 178.049 175.900 -0.024 0.000 1.122 404 Y CA 1.217 59.282 58.100 -0.058 0.000 1.128 404 Y CB 0.099 38.490 38.460 -0.115 0.000 1.005 404 Y HN -0.219 nan 8.280 nan 0.000 0.509 405 R N -0.485 119.949 120.500 -0.110 0.000 2.193 405 R HA -0.093 4.247 4.340 -0.000 0.000 0.229 405 R C 2.005 178.203 176.300 -0.170 0.000 1.110 405 R CA 1.365 57.367 56.100 -0.165 0.000 0.988 405 R CB -1.444 28.843 30.300 -0.022 0.000 0.871 405 R HN 0.350 nan 8.270 nan 0.000 0.458 406 T N -0.602 113.875 114.554 -0.129 0.000 2.904 406 T HA 0.025 4.375 4.350 -0.000 0.000 0.267 406 T C 1.354 175.981 174.700 -0.121 0.000 1.059 406 T CA 1.674 63.716 62.100 -0.096 0.000 1.137 406 T CB -0.052 68.782 68.868 -0.057 0.000 0.879 406 T HN 0.597 nan 8.240 nan 0.000 0.467 407 G N 0.200 108.892 108.800 -0.181 0.000 2.213 407 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.226 407 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.226 407 G C 1.204 176.052 174.900 -0.087 0.000 0.992 407 G CA 0.473 45.474 45.100 -0.165 0.000 0.632 407 G HN 0.720 nan 8.290 nan 0.000 0.511 408 V N -2.670 117.210 119.914 -0.056 0.000 2.809 408 V HA 0.266 4.386 4.120 -0.000 0.000 0.256 408 V C 0.524 176.626 176.094 0.013 0.000 1.080 408 V CA 1.501 63.791 62.300 -0.017 0.000 1.102 408 V CB -0.005 31.812 31.823 -0.010 0.000 0.705 408 V HN 0.339 nan 8.190 nan 0.000 0.475 409 D N 1.086 121.506 120.400 0.033 0.000 2.780 409 D HA 0.328 4.968 4.640 -0.000 0.000 0.242 409 D C -0.839 175.586 176.300 0.209 0.000 1.135 409 D CA -0.399 53.658 54.000 0.096 0.000 0.859 409 D CB 2.274 43.129 40.800 0.091 0.000 1.530 409 D HN 0.540 nan 8.370 nan 0.000 0.493 410 N N 0.326 119.143 118.700 0.196 0.000 2.424 410 N HA -0.039 4.701 4.740 -0.000 0.000 0.257 410 N C 0.774 176.429 175.510 0.242 0.000 1.250 410 N CA -0.261 52.951 53.050 0.272 0.000 0.946 410 N CB 0.792 39.382 38.487 0.172 0.000 1.175 410 N HN 0.427 nan 8.380 nan 0.000 0.477 411 Y N -0.359 119.969 120.300 0.047 0.000 2.333 411 Y HA -0.085 4.465 4.550 -0.000 0.000 0.290 411 Y C 1.849 177.662 175.900 -0.145 0.000 1.144 411 Y CA 0.860 58.799 58.100 -0.268 0.000 1.228 411 Y CB -0.058 38.198 38.460 -0.339 0.000 0.985 411 Y HN 0.607 nan 8.280 nan 0.000 0.542 412 L N -0.360 120.919 121.223 0.094 0.000 2.081 412 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 412 L C 2.147 179.019 176.870 0.003 0.000 1.080 412 L CA 2.427 57.304 54.840 0.060 0.000 0.754 412 L CB -1.034 41.069 42.059 0.073 0.000 0.893 412 L HN 0.184 nan 8.230 nan 0.000 0.433 413 T N -0.736 113.813 114.554 -0.009 0.000 2.857 413 T HA -0.125 4.225 4.350 -0.000 0.000 0.266 413 T C 1.754 176.375 174.700 -0.130 0.000 1.048 413 T CA 1.235 63.340 62.100 0.008 0.000 1.139 413 T CB -0.318 68.591 68.868 0.067 0.000 0.874 413 T HN 0.305 nan 8.240 nan 0.000 0.455 414 L N 1.250 122.312 121.223 -0.268 0.000 2.017 414 L HA 0.034 4.374 4.340 -0.000 0.000 0.208 414 L C 2.139 178.814 176.870 -0.324 0.000 1.073 414 L CA 1.551 56.144 54.840 -0.413 0.000 0.745 414 L CB -1.040 40.569 42.059 -0.750 0.000 0.894 414 L HN 0.110 nan 8.230 nan 0.000 0.432 415 L N 0.059 121.113 121.223 -0.281 0.000 2.042 415 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 415 L C 2.242 179.064 176.870 -0.081 0.000 1.076 415 L CA 2.298 57.058 54.840 -0.133 0.000 0.749 415 L CB -1.028 41.029 42.059 -0.003 0.000 0.893 415 L HN 0.560 nan 8.230 nan 0.000 0.432 416 D N -1.290 119.075 120.400 -0.058 0.000 2.117 416 D HA -0.172 4.468 4.640 -0.000 0.000 0.197 416 D C 2.143 178.396 176.300 -0.078 0.000 0.987 416 D CA 1.276 55.277 54.000 0.001 0.000 0.829 416 D CB 0.033 40.890 40.800 0.095 0.000 0.961 416 D HN 0.404 nan 8.370 nan 0.000 0.460 417 A N -0.010 122.598 122.820 -0.354 0.000 1.902 417 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 417 A C 2.163 179.677 177.584 -0.118 0.000 1.181 417 A CA 1.619 53.284 52.037 -0.621 0.000 0.623 417 A CB -0.705 17.722 19.000 -0.955 0.000 0.818 417 A HN 0.337 nan 8.150 nan 0.000 0.443 418 Q N -0.690 119.110 119.800 0.001 0.000 2.050 418 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 418 Q C 2.401 178.481 176.000 0.133 0.000 0.980 418 Q CA 1.642 57.491 55.803 0.078 0.000 0.840 418 Q CB -0.208 28.534 28.738 0.007 0.000 0.898 418 Q HN 0.608 nan 8.270 nan 0.000 0.424 419 R N 0.032 120.584 120.500 0.087 0.000 2.081 419 R HA -0.077 4.263 4.340 -0.000 0.000 0.235 419 R C 2.532 178.909 176.300 0.128 0.000 1.131 419 R CA 1.440 57.620 56.100 0.133 0.000 0.960 419 R CB -0.209 30.140 30.300 0.081 0.000 0.856 419 R HN 0.132 nan 8.270 nan 0.000 0.436 420 S N 1.452 117.215 115.700 0.105 0.000 2.353 420 S HA -0.156 4.314 4.470 -0.000 0.000 0.222 420 S C 1.849 176.518 174.600 0.115 0.000 1.035 420 S CA 1.102 59.375 58.200 0.120 0.000 1.025 420 S CB -0.346 62.965 63.200 0.185 0.000 0.902 420 S HN 0.149 nan 8.310 nan 0.000 0.440 421 L N 1.288 122.576 121.223 0.108 0.000 1.970 421 L HA -0.038 4.302 4.340 -0.000 0.000 0.212 421 L C 1.961 178.922 176.870 0.151 0.000 1.071 421 L CA 1.754 56.648 54.840 0.089 0.000 0.751 421 L CB -0.937 41.119 42.059 -0.006 0.000 0.889 421 L HN 0.383 nan 8.230 nan 0.000 0.432 422 F N -0.485 119.464 119.950 -0.002 0.000 2.095 422 F HA -0.316 4.211 4.527 -0.000 0.000 0.298 422 F C 2.193 178.008 175.800 0.025 0.000 1.104 422 F CA 1.818 59.823 58.000 0.009 0.000 1.232 422 F CB -0.089 38.958 39.000 0.078 0.000 0.987 422 F HN 0.140 nan 8.300 nan 0.000 0.475 423 T N 0.251 114.798 114.554 -0.012 0.000 2.777 423 T HA -0.128 4.222 4.350 -0.000 0.000 0.266 423 T C 2.022 176.692 174.700 -0.051 0.000 1.040 423 T CA 1.101 63.132 62.100 -0.116 0.000 1.141 423 T CB -0.525 68.315 68.868 -0.046 0.000 0.868 423 T HN 0.385 nan 8.240 nan 0.000 0.444 424 A N 1.142 123.970 122.820 0.014 0.000 1.969 424 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 424 A C 2.260 179.850 177.584 0.011 0.000 1.169 424 A CA 1.215 53.265 52.037 0.021 0.000 0.635 424 A CB -0.491 18.538 19.000 0.048 0.000 0.810 424 A HN 0.515 nan 8.150 nan 0.000 0.445 425 Q N -0.693 119.121 119.800 0.023 0.000 2.083 425 Q HA -0.177 4.163 4.340 -0.000 0.000 0.198 425 Q C 2.284 178.270 176.000 -0.023 0.000 0.969 425 Q CA 1.553 57.367 55.803 0.019 0.000 0.838 425 Q CB -0.169 28.610 28.738 0.068 0.000 0.900 425 Q HN 0.762 nan 8.270 nan 0.000 0.436 426 Q N 0.153 119.910 119.800 -0.071 0.000 2.124 426 Q HA -0.233 4.107 4.340 -0.000 0.000 0.202 426 Q C 2.052 178.009 176.000 -0.072 0.000 0.977 426 Q CA 1.246 56.981 55.803 -0.114 0.000 0.850 426 Q CB -0.038 28.573 28.738 -0.211 0.000 0.901 426 Q HN 0.205 nan 8.270 nan 0.000 0.429 427 Q N 0.887 120.655 119.800 -0.053 0.000 2.119 427 Q HA -0.148 4.191 4.340 -0.000 0.000 0.201 427 Q C 1.834 177.826 176.000 -0.012 0.000 0.972 427 Q CA 0.898 56.688 55.803 -0.023 0.000 0.847 427 Q CB -0.243 28.489 28.738 -0.010 0.000 0.903 427 Q HN 0.327 nan 8.270 nan 0.000 0.433 428 L N -0.031 121.184 121.223 -0.014 0.000 2.012 428 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 428 L C 1.951 178.802 176.870 -0.032 0.000 1.073 428 L CA 1.762 56.595 54.840 -0.011 0.000 0.748 428 L CB -0.660 41.394 42.059 -0.009 0.000 0.891 428 L HN 0.386 nan 8.230 nan 0.000 0.431 429 I N -0.998 119.541 120.570 -0.051 0.000 2.099 429 I HA -0.365 3.804 4.170 -0.000 0.000 0.239 429 I C 2.294 178.369 176.117 -0.069 0.000 1.066 429 I CA 1.987 63.243 61.300 -0.073 0.000 1.324 429 I CB -0.867 37.071 38.000 -0.103 0.000 1.037 429 I HN 0.283 nan 8.210 nan 0.000 0.401 430 T N 0.204 114.728 114.554 -0.051 0.000 2.665 430 T HA -0.226 4.124 4.350 -0.000 0.000 0.268 430 T C 1.533 176.206 174.700 -0.045 0.000 1.035 430 T CA 1.856 63.935 62.100 -0.036 0.000 1.151 430 T CB -0.428 68.436 68.868 -0.007 0.000 0.862 430 T HN 0.326 nan 8.240 nan 0.000 0.438 431 D N 0.459 120.846 120.400 -0.021 0.000 2.104 431 D HA -0.097 4.542 4.640 -0.000 0.000 0.194 431 D C 2.337 178.540 176.300 -0.161 0.000 0.994 431 D CA 1.075 55.068 54.000 -0.013 0.000 0.830 431 D CB -0.312 40.530 40.800 0.070 0.000 0.959 431 D HN 0.168 nan 8.370 nan 0.000 0.452 432 R N 0.793 121.220 120.500 -0.121 0.000 2.073 432 R HA -0.087 4.252 4.340 -0.000 0.000 0.234 432 R C 2.176 178.365 176.300 -0.186 0.000 1.134 432 R CA 0.829 56.839 56.100 -0.150 0.000 0.952 432 R CB -1.034 29.210 30.300 -0.093 0.000 0.850 432 R HN 0.208 nan 8.270 nan 0.000 0.433 433 L N 0.948 122.084 121.223 -0.145 0.000 2.079 433 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 433 L C 1.321 178.087 176.870 -0.173 0.000 1.081 433 L CA 1.939 56.701 54.840 -0.129 0.000 0.752 433 L CB -0.703 41.304 42.059 -0.087 0.000 0.896 433 L HN 0.244 nan 8.230 nan 0.000 0.433 434 N N -0.208 118.346 118.700 -0.243 0.000 2.188 434 N HA -0.211 4.528 4.740 -0.000 0.000 0.184 434 N C 1.759 176.879 175.510 -0.650 0.000 1.018 434 N CA 1.514 54.376 53.050 -0.313 0.000 0.858 434 N CB -0.272 38.111 38.487 -0.175 0.000 0.989 434 N HN 0.729 nan 8.380 nan 0.000 0.426 435 Q N 0.933 120.131 119.800 -1.003 0.000 2.079 435 Q HA -0.013 4.327 4.340 -0.000 0.000 0.200 435 Q C 1.975 177.776 176.000 -0.332 0.000 0.974 435 Q CA 1.162 56.367 55.803 -0.997 0.000 0.840 435 Q CB -0.553 27.712 28.738 -0.787 0.000 0.898 435 Q HN 0.247 nan 8.270 nan 0.000 0.430 436 L N 1.297 122.387 121.223 -0.222 0.000 2.017 436 L HA -0.151 4.188 4.340 -0.000 0.000 0.208 436 L C 2.937 179.808 176.870 0.002 0.000 1.073 436 L CA 1.813 56.607 54.840 -0.076 0.000 0.745 436 L CB -0.993 41.029 42.059 -0.061 0.000 0.894 436 L HN 0.590 nan 8.230 nan 0.000 0.432 437 T N -3.749 110.792 114.554 -0.021 0.000 2.867 437 T HA -0.120 4.229 4.350 -0.000 0.000 0.268 437 T C 2.005 176.752 174.700 0.079 0.000 1.057 437 T CA 1.451 63.580 62.100 0.048 0.000 1.136 437 T CB -0.278 68.608 68.868 0.031 0.000 0.874 437 T HN 0.226 nan 8.240 nan 0.000 0.466 438 S N 1.408 117.137 115.700 0.047 0.000 2.356 438 S HA -0.080 4.390 4.470 -0.000 0.000 0.223 438 S C 2.034 176.708 174.600 0.123 0.000 1.032 438 S CA 1.471 59.732 58.200 0.102 0.000 1.005 438 S CB -0.489 62.810 63.200 0.164 0.000 0.867 438 S HN 0.597 nan 8.310 nan 0.000 0.449 439 E N 1.146 121.422 120.200 0.126 0.000 2.072 439 E HA -0.065 4.284 4.350 -0.000 0.000 0.191 439 E C 1.966 178.750 176.600 0.307 0.000 0.985 439 E CA 0.790 57.298 56.400 0.180 0.000 0.801 439 E CB -0.425 29.363 29.700 0.146 0.000 0.750 439 E HN 0.237 nan 8.360 nan 0.000 0.452 440 V N 1.464 121.575 119.914 0.328 0.000 2.255 440 V HA -0.299 3.820 4.120 -0.000 0.000 0.247 440 V C 1.922 178.220 176.094 0.341 0.000 1.051 440 V CA 2.068 64.651 62.300 0.472 0.000 1.018 440 V CB -0.684 31.389 31.823 0.417 0.000 0.641 440 V HN 0.318 nan 8.190 nan 0.000 0.445 441 N N -0.027 118.799 118.700 0.209 0.000 2.149 441 N HA -0.150 4.589 4.740 -0.000 0.000 0.188 441 N C 1.609 177.167 175.510 0.080 0.000 1.019 441 N CA 1.321 54.449 53.050 0.130 0.000 0.857 441 N CB -0.547 37.997 38.487 0.094 0.000 0.997 441 N HN 0.424 nan 8.380 nan 0.000 0.426 442 L N 0.097 121.369 121.223 0.082 0.000 2.017 442 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 442 L C 2.163 179.020 176.870 -0.023 0.000 1.073 442 L CA 1.539 56.387 54.840 0.014 0.000 0.745 442 L CB -1.087 40.984 42.059 0.020 0.000 0.894 442 L HN 0.155 nan 8.230 nan 0.000 0.432 443 Y N 0.919 121.108 120.300 -0.186 0.000 2.097 443 Y HA -0.340 4.210 4.550 -0.000 0.000 0.282 443 Y C 2.740 178.520 175.900 -0.200 0.000 1.152 443 Y CA 2.616 60.481 58.100 -0.392 0.000 1.136 443 Y CB -0.457 37.400 38.460 -1.004 0.000 0.975 443 Y HN 0.346 nan 8.280 nan 0.000 0.498 444 K N 0.232 120.529 120.400 -0.172 0.000 2.074 444 K HA -0.225 4.095 4.320 -0.000 0.000 0.209 444 K C 2.212 178.721 176.600 -0.151 0.000 1.048 444 K CA 1.525 57.703 56.287 -0.182 0.000 0.926 444 K CB -0.527 31.964 32.500 -0.014 0.000 0.713 444 K HN 0.405 nan 8.250 nan 0.000 0.444 445 A N 1.174 123.936 122.820 -0.097 0.000 1.940 445 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 445 A C 2.033 179.559 177.584 -0.097 0.000 1.176 445 A CA 1.471 53.462 52.037 -0.077 0.000 0.631 445 A CB -0.562 18.399 19.000 -0.065 0.000 0.814 445 A HN 0.366 nan 8.150 nan 0.000 0.446 446 L N -1.358 119.783 121.223 -0.136 0.000 2.552 446 L HA 0.194 4.533 4.340 -0.000 0.000 0.227 446 L C 1.451 178.232 176.870 -0.148 0.000 1.146 446 L CA 0.590 55.356 54.840 -0.123 0.000 0.858 446 L CB -0.275 41.712 42.059 -0.120 0.000 0.969 446 L HN 0.586 nan 8.230 nan 0.000 0.451 447 G N -0.664 108.011 108.800 -0.209 0.000 2.226 447 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.176 447 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.176 447 G C 0.714 175.448 174.900 -0.276 0.000 1.042 447 G CA -0.080 44.912 45.100 -0.181 0.000 0.732 447 G HN 0.377 nan 8.290 nan 0.000 0.494 448 G N 0.515 108.924 108.800 -0.651 0.000 2.424 448 G HA2 0.272 4.232 3.960 -0.000 0.000 0.214 448 G HA3 0.272 4.232 3.960 -0.000 0.000 0.214 448 G C 1.579 176.232 174.900 -0.412 0.000 1.202 448 G CA 1.060 45.420 45.100 -1.233 0.000 0.793 448 G HN 1.495 nan 8.290 nan 0.000 0.534 449 G N -0.759 107.948 108.800 -0.155 0.000 3.332 449 G HA2 0.061 4.021 3.960 -0.000 0.000 0.242 449 G HA3 0.061 4.021 3.960 -0.000 0.000 0.242 449 G C 0.987 176.139 174.900 0.420 0.000 1.276 449 G CA -0.193 45.121 45.100 0.357 0.000 0.988 449 G HN 0.433 nan 8.290 nan 0.000 0.517 450 W N 0.832 122.244 121.300 0.185 0.000 2.441 450 W HA 0.056 4.716 4.660 -0.000 0.000 0.302 450 W C -0.468 176.213 176.519 0.269 0.000 1.191 450 W CA 0.193 57.648 57.345 0.184 0.000 1.327 450 W CB 0.183 29.690 29.460 0.079 0.000 1.128 450 W HN 0.088 nan 8.180 nan 0.000 0.522 451 N N 2.223 121.046 118.700 0.205 0.000 2.430 451 N HA -0.027 4.713 4.740 -0.000 0.000 0.265 451 N C 0.868 176.275 175.510 -0.172 0.000 1.100 451 N CA 0.253 53.304 53.050 0.001 0.000 0.961 451 N CB 1.211 39.754 38.487 0.093 0.000 1.075 451 N HN 0.276 nan 8.380 nan 0.000 0.478 452 Q N 1.711 121.268 119.800 -0.404 0.000 2.096 452 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 452 Q C -0.334 175.240 176.000 -0.710 0.000 0.982 452 Q CA 1.435 56.653 55.803 -0.975 0.000 0.850 452 Q CB 0.347 28.706 28.738 -0.631 0.000 0.901 452 Q HN 0.517 nan 8.270 nan 0.000 0.422 453 Q N 0.103 119.695 119.800 -0.348 0.000 2.387 453 Q HA 0.260 4.600 4.340 -0.000 0.000 0.273 453 Q C -0.957 174.983 176.000 -0.101 0.000 1.089 453 Q CA -0.346 55.329 55.803 -0.214 0.000 0.824 453 Q CB 1.792 30.432 28.738 -0.164 0.000 1.367 453 Q HN 0.098 nan 8.270 nan 0.000 0.443 454 T N 0.468 114.985 114.554 -0.061 0.000 2.900 454 T HA 0.365 4.715 4.350 -0.000 0.000 0.307 454 T C -0.145 174.552 174.700 -0.004 0.000 1.065 454 T CA -0.321 61.773 62.100 -0.011 0.000 1.105 454 T CB 0.222 69.089 68.868 -0.002 0.000 0.979 454 T HN 0.412 nan 8.240 nan 0.000 0.544 455 V N 1.742 121.667 119.914 0.019 0.000 2.925 455 V HA 0.754 4.873 4.120 -0.000 0.000 0.311 455 V C -0.135 175.974 176.094 0.025 0.000 1.104 455 V CA -1.040 61.274 62.300 0.023 0.000 0.954 455 V CB 1.909 33.756 31.823 0.040 0.000 1.022 455 V HN 0.905 nan 8.190 nan 0.000 0.427 456 T N 2.689 117.255 114.554 0.020 0.000 3.145 456 T HA 0.462 4.812 4.350 -0.000 0.000 0.362 456 T C 0.088 174.801 174.700 0.022 0.000 1.340 456 T CA -0.097 62.015 62.100 0.019 0.000 1.069 456 T CB 0.358 69.234 68.868 0.014 0.000 1.129 456 T HN 1.560 nan 8.240 nan 0.000 0.585 457 Q N 0.000 119.816 119.800 0.026 0.000 2.315 457 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 457 Q CA 0.000 55.819 55.803 0.027 0.000 1.022 457 Q CB 0.000 28.751 28.738 0.022 0.000 1.108 457 Q HN 0.000 nan 8.270 nan 0.000 0.481