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 2f5z_1_I DATA FIRST_RESID 3 DATA SEQUENCE QPIDADVTVI GSGPGGYVAA IKAAQLGFKT VCIEKNETLG GTcLNVGcIP DATA SEQUENCE SKALLNNSHY YHMAHGTDFA SRGIEMSEVR LNLDKMMEQK STAVKALTGG DATA SEQUENCE IAHLFKQNKV VHVNGYGKIT GKNQVTATKA DGGTQVIDTK NILIATGSEV DATA SEQUENCE TPFPGITIDE DTIVSSTGAL SLKKVPEKMV VIGAGVIGVE LGSVWQRLGA DATA SEQUENCE DVTAVEFLGH VGGVGIDMEI SKNFQRILQK QGFKFKLNTK VTGATKKSDG DATA SEQUENCE KIDVSIEAAS XXKAEVITCD VLLVCIGRRP FTKNLGLEEL GIELDPRGRI DATA SEQUENCE PVNTRFQTKI PNIYAIGDVV AGPMLAHKAE DEGIICVEGM AGGAVHIDYN DATA SEQUENCE CVPSVIYTHP EVAWVGKSEE QLKEEGIEYK VGKFPFAANS RAKTNADTDG DATA SEQUENCE MVKILGQKST DRVLGAHILG PGAGEMVNEA ALALEYGASC EDIARVCHAH DATA SEQUENCE PTLSEAFREA NLAASFGKSI NF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 176.002 176.000 0.003 0.000 1.003 3 Q CA 0.000 55.804 55.803 0.002 0.000 1.022 3 Q CB 0.000 28.739 28.738 0.002 0.000 1.108 4 P HA 0.297 nan 4.420 nan 0.000 0.281 4 P C -0.588 176.714 177.300 0.003 0.000 1.252 4 P CA -0.256 62.847 63.100 0.004 0.000 0.778 4 P CB 1.190 32.894 31.700 0.005 0.000 0.895 5 I N 3.599 124.170 120.570 0.002 0.000 2.392 5 I HA 0.311 4.481 4.170 0.000 0.000 0.295 5 I C -0.546 175.572 176.117 0.001 0.000 0.985 5 I CA -1.080 60.220 61.300 0.001 0.000 1.221 5 I CB 0.982 38.980 38.000 -0.002 0.000 1.366 5 I HN 0.340 nan 8.210 nan 0.000 0.467 6 D N 7.148 127.550 120.400 0.002 0.000 2.181 6 D HA 0.771 5.411 4.640 0.000 0.000 0.248 6 D C -1.063 175.238 176.300 0.001 0.000 1.020 6 D CA -0.559 53.443 54.000 0.003 0.000 0.891 6 D CB 1.794 42.598 40.800 0.007 0.000 1.187 6 D HN 0.709 nan 8.370 nan 0.000 0.443 7 A N 1.120 123.940 122.820 -0.001 0.000 2.569 7 A HA 0.484 4.804 4.320 0.000 0.000 0.290 7 A C -0.095 177.487 177.584 -0.004 0.000 1.136 7 A CA -0.677 51.358 52.037 -0.004 0.000 0.710 7 A CB 1.517 20.503 19.000 -0.023 0.000 1.303 7 A HN 0.461 nan 8.150 nan 0.000 0.413 8 D N -0.663 119.739 120.400 0.003 0.000 2.197 8 D HA 0.164 4.804 4.640 0.000 0.000 0.212 8 D C 0.099 176.300 176.300 -0.165 0.000 0.963 8 D CA 1.618 55.613 54.000 -0.008 0.000 0.864 8 D CB 0.389 41.291 40.800 0.170 0.000 1.009 8 D HN 0.209 nan 8.370 nan 0.000 0.479 9 V N 1.058 120.858 119.914 -0.191 0.000 2.525 9 V HA 0.303 4.423 4.120 0.000 0.000 0.299 9 V C -0.396 175.610 176.094 -0.146 0.000 1.034 9 V CA -0.541 61.605 62.300 -0.255 0.000 0.863 9 V CB 2.089 33.663 31.823 -0.415 0.000 0.999 9 V HN -0.105 nan 8.190 nan 0.000 0.423 10 T N 4.433 118.921 114.554 -0.111 0.000 2.770 10 T HA 0.546 4.896 4.350 0.000 0.000 0.283 10 T C -0.326 174.335 174.700 -0.065 0.000 0.988 10 T CA -0.365 61.692 62.100 -0.072 0.000 0.957 10 T CB 1.517 70.362 68.868 -0.039 0.000 0.930 10 T HN 0.335 nan 8.240 nan 0.000 0.443 11 V N 5.265 125.142 119.914 -0.062 0.000 2.370 11 V HA 0.427 4.547 4.120 0.000 0.000 0.279 11 V C 0.100 176.190 176.094 -0.008 0.000 1.029 11 V CA -0.777 61.499 62.300 -0.040 0.000 0.870 11 V CB 1.164 32.960 31.823 -0.044 0.000 0.984 11 V HN 0.820 nan 8.190 nan 0.000 0.451 12 I N 5.090 125.661 120.570 0.001 0.000 2.310 12 I HA 0.694 4.864 4.170 0.000 0.000 0.287 12 I C 0.734 176.860 176.117 0.015 0.000 1.073 12 I CA 0.122 61.425 61.300 0.005 0.000 1.216 12 I CB 0.719 38.716 38.000 -0.006 0.000 1.415 12 I HN 0.871 nan 8.210 nan 0.000 0.480 13 G N 3.451 112.270 108.800 0.032 0.000 2.535 13 G HA2 -0.007 3.953 3.960 0.000 0.000 0.662 13 G HA3 -0.007 3.953 3.960 0.000 0.000 0.662 13 G C -0.241 174.711 174.900 0.087 0.000 1.417 13 G CA -0.301 44.827 45.100 0.046 0.000 0.866 13 G HN 0.565 nan 8.290 nan 0.000 0.647 14 S N 0.548 116.303 115.700 0.092 0.000 2.711 14 S HA 0.627 5.097 4.470 0.000 0.000 0.247 14 S C 1.129 175.818 174.600 0.148 0.000 1.079 14 S CA 0.702 58.991 58.200 0.148 0.000 1.050 14 S CB 0.505 63.754 63.200 0.082 0.000 0.885 14 S HN 1.848 nan 8.310 nan 0.000 0.498 15 G N 2.235 111.110 108.800 0.124 0.000 2.508 15 G HA2 0.461 4.421 3.960 0.000 0.000 0.278 15 G HA3 0.461 4.421 3.960 0.000 0.000 0.278 15 G C -1.673 173.343 174.900 0.193 0.000 1.389 15 G CA -1.669 43.506 45.100 0.125 0.000 1.050 15 G HN 0.179 nan 8.290 nan 0.000 0.522 16 P HA -0.136 nan 4.420 nan 0.000 0.216 16 P C 1.990 179.207 177.300 -0.139 0.000 1.154 16 P CA 2.064 65.171 63.100 0.011 0.000 0.865 16 P CB -0.012 31.694 31.700 0.010 0.000 0.789 17 G N -0.773 107.987 108.800 -0.067 0.000 2.414 17 G HA2 -0.170 3.790 3.960 0.000 0.000 0.215 17 G HA3 -0.170 3.790 3.960 0.000 0.000 0.215 17 G C 1.792 176.639 174.900 -0.089 0.000 1.188 17 G CA 0.937 45.981 45.100 -0.095 0.000 0.783 17 G HN 0.357 nan 8.290 nan 0.000 0.537 18 G N 0.469 109.266 108.800 -0.006 0.000 2.453 18 G HA2 -0.223 3.737 3.960 0.000 0.000 0.215 18 G HA3 -0.223 3.737 3.960 0.000 0.000 0.215 18 G C 1.730 176.702 174.900 0.121 0.000 1.201 18 G CA 1.443 46.570 45.100 0.044 0.000 0.784 18 G HN 0.599 nan 8.290 nan 0.000 0.545 19 Y N 1.179 121.547 120.300 0.113 0.000 2.165 19 Y HA -0.068 4.482 4.550 -0.000 0.000 0.286 19 Y C 2.478 178.487 175.900 0.181 0.000 1.155 19 Y CA 1.444 59.684 58.100 0.234 0.000 1.164 19 Y CB -0.862 37.598 38.460 0.000 0.000 0.978 19 Y HN 0.025 nan 8.280 nan 0.000 0.513 20 V N 1.459 121.027 119.914 -0.576 0.000 2.343 20 V HA -0.282 3.838 4.120 0.000 0.000 0.247 20 V C 2.917 178.919 176.094 -0.152 0.000 1.051 20 V CA 1.944 63.968 62.300 -0.460 0.000 1.036 20 V CB -1.608 29.898 31.823 -0.528 0.000 0.654 20 V HN 0.655 nan 8.190 nan 0.000 0.451 21 A N -0.044 122.699 122.820 -0.129 0.000 1.933 21 A HA -0.097 4.223 4.320 0.000 0.000 0.218 21 A C 2.422 179.977 177.584 -0.049 0.000 1.175 21 A CA 2.067 54.046 52.037 -0.097 0.000 0.628 21 A CB -0.738 18.189 19.000 -0.121 0.000 0.814 21 A HN 0.560 nan 8.150 nan 0.000 0.444 22 A N 0.158 122.976 122.820 -0.004 0.000 1.858 22 A HA -0.094 4.226 4.320 0.000 0.000 0.216 22 A C 2.133 179.721 177.584 0.007 0.000 1.190 22 A CA 1.537 53.555 52.037 -0.033 0.000 0.617 22 A CB -0.672 18.271 19.000 -0.095 0.000 0.827 22 A HN 0.485 nan 8.150 nan 0.000 0.443 23 I N -0.663 119.979 120.570 0.120 0.000 2.127 23 I HA -0.292 3.878 4.170 0.000 0.000 0.241 23 I C 2.577 178.729 176.117 0.059 0.000 1.075 23 I CA 2.034 63.413 61.300 0.132 0.000 1.334 23 I CB -0.270 37.857 38.000 0.211 0.000 1.040 23 I HN 0.274 nan 8.210 nan 0.000 0.405 24 K N 1.455 121.873 120.400 0.029 0.000 2.097 24 K HA -0.129 4.191 4.320 0.000 0.000 0.206 24 K C 2.027 178.656 176.600 0.049 0.000 1.049 24 K CA 1.657 57.954 56.287 0.017 0.000 0.933 24 K CB -0.402 32.089 32.500 -0.016 0.000 0.717 24 K HN 0.309 nan 8.250 nan 0.000 0.442 25 A N 0.461 123.319 122.820 0.064 0.000 1.902 25 A HA -0.082 4.238 4.320 0.000 0.000 0.217 25 A C 2.377 180.075 177.584 0.188 0.000 1.181 25 A CA 2.103 54.250 52.037 0.183 0.000 0.623 25 A CB -1.099 17.936 19.000 0.058 0.000 0.818 25 A HN 0.419 nan 8.150 nan 0.000 0.443 26 A N -0.624 122.244 122.820 0.079 0.000 1.877 26 A HA -0.208 4.112 4.320 0.000 0.000 0.216 26 A C 2.077 179.673 177.584 0.020 0.000 1.186 26 A CA 1.592 53.657 52.037 0.046 0.000 0.620 26 A CB -0.627 18.378 19.000 0.009 0.000 0.822 26 A HN 0.652 nan 8.150 nan 0.000 0.443 27 Q N -0.587 119.224 119.800 0.018 0.000 2.364 27 Q HA 0.022 4.362 4.340 0.000 0.000 0.209 27 Q C 1.582 177.562 176.000 -0.034 0.000 0.977 27 Q CA 0.799 56.600 55.803 -0.004 0.000 0.885 27 Q CB -0.234 28.506 28.738 0.004 0.000 0.941 27 Q HN 0.648 nan 8.270 nan 0.000 0.464 28 L N -1.064 120.135 121.223 -0.041 0.000 2.558 28 L HA 0.123 4.463 4.340 0.000 0.000 0.225 28 L C 0.993 177.701 176.870 -0.270 0.000 1.128 28 L CA 0.455 55.215 54.840 -0.133 0.000 0.868 28 L CB 0.221 42.215 42.059 -0.109 0.000 1.006 28 L HN 0.406 nan 8.230 nan 0.000 0.454 29 G N -0.602 108.085 108.800 -0.189 0.000 2.135 29 G HA2 -0.242 3.718 3.960 0.000 0.000 0.183 29 G HA3 -0.242 3.718 3.960 0.000 0.000 0.183 29 G C -0.158 174.614 174.900 -0.213 0.000 1.004 29 G CA -0.688 44.290 45.100 -0.204 0.000 0.677 29 G HN 0.065 nan 8.290 nan 0.000 0.512 30 F N 1.201 121.128 119.950 -0.039 0.000 2.404 30 F HA 0.527 5.054 4.527 0.000 0.000 0.339 30 F C 1.062 176.834 175.800 -0.046 0.000 1.105 30 F CA -0.876 57.098 58.000 -0.043 0.000 1.087 30 F CB 1.286 40.253 39.000 -0.056 0.000 1.143 30 F HN -0.112 nan 8.300 nan 0.000 0.491 31 K N 2.528 123.038 120.400 0.183 0.000 2.363 31 K HA 0.241 4.561 4.320 0.000 0.000 0.289 31 K C -0.432 176.195 176.600 0.046 0.000 1.063 31 K CA 0.084 56.415 56.287 0.074 0.000 0.967 31 K CB 0.141 32.673 32.500 0.053 0.000 0.987 31 K HN 0.559 nan 8.250 nan 0.000 0.473 32 T N 1.943 116.499 114.554 0.004 0.000 2.823 32 T HA 0.385 4.735 4.350 0.000 0.000 0.279 32 T C -0.412 174.226 174.700 -0.104 0.000 0.998 32 T CA -0.736 61.332 62.100 -0.054 0.000 0.994 32 T CB 1.580 70.410 68.868 -0.064 0.000 0.960 32 T HN 0.109 nan 8.240 nan 0.000 0.448 33 V N 1.915 121.763 119.914 -0.109 0.000 2.604 33 V HA 0.590 4.710 4.120 0.000 0.000 0.305 33 V C -0.441 175.579 176.094 -0.124 0.000 1.043 33 V CA -0.858 61.377 62.300 -0.108 0.000 0.888 33 V CB 1.855 33.645 31.823 -0.055 0.000 0.995 33 V HN 1.105 nan 8.190 nan 0.000 0.429 34 C N 6.953 126.169 119.300 -0.141 0.000 2.346 34 C HA 0.677 5.137 4.460 0.000 0.000 0.326 34 C C -0.438 174.585 174.990 0.056 0.000 1.224 34 C CA -0.500 58.467 59.018 -0.085 0.000 1.408 34 C CB -0.525 27.084 27.740 -0.218 0.000 2.089 34 C HN 0.813 nan 8.230 nan 0.000 0.456 35 I N 4.980 125.589 120.570 0.066 0.000 2.321 35 I HA 0.454 4.624 4.170 0.000 0.000 0.291 35 I C -0.300 175.875 176.117 0.098 0.000 0.998 35 I CA 0.194 61.554 61.300 0.100 0.000 1.227 35 I CB 1.379 39.409 38.000 0.051 0.000 1.368 35 I HN 0.624 nan 8.210 nan 0.000 0.466 36 E N 6.142 126.433 120.200 0.153 0.000 2.241 36 E HA 0.232 4.582 4.350 0.000 0.000 0.263 36 E C 0.267 176.932 176.600 0.107 0.000 0.882 36 E CA -0.802 55.663 56.400 0.109 0.000 0.769 36 E CB 1.408 31.173 29.700 0.108 0.000 1.185 36 E HN 0.564 nan 8.360 nan 0.000 0.415 37 K N 2.656 123.082 120.400 0.043 0.000 2.217 37 K HA 0.072 4.392 4.320 0.000 0.000 0.202 37 K C 0.194 176.845 176.600 0.085 0.000 1.051 37 K CA 0.365 56.694 56.287 0.070 0.000 0.952 37 K CB -0.063 32.458 32.500 0.034 0.000 0.736 37 K HN 0.199 nan 8.250 nan 0.000 0.453 38 N N 1.738 120.472 118.700 0.057 0.000 2.424 38 N HA 0.025 4.765 4.740 0.000 0.000 0.257 38 N C 0.574 176.121 175.510 0.062 0.000 1.250 38 N CA -0.234 52.844 53.050 0.046 0.000 0.946 38 N CB 0.930 39.424 38.487 0.012 0.000 1.175 38 N HN 0.164 nan 8.380 nan 0.000 0.477 39 E N -0.542 119.686 120.200 0.047 0.000 2.077 39 E HA -0.100 4.250 4.350 0.000 0.000 0.193 39 E C 0.231 176.865 176.600 0.057 0.000 0.989 39 E CA 1.135 57.567 56.400 0.053 0.000 0.800 39 E CB -0.004 29.715 29.700 0.032 0.000 0.746 39 E HN 0.730 nan 8.360 nan 0.000 0.452 40 T N -1.386 113.180 114.554 0.020 0.000 2.952 40 T HA 0.569 4.919 4.350 0.000 0.000 0.286 40 T C 0.237 174.907 174.700 -0.050 0.000 1.024 40 T CA -0.868 61.224 62.100 -0.014 0.000 1.029 40 T CB 1.540 70.386 68.868 -0.037 0.000 1.094 40 T HN -0.116 nan 8.240 nan 0.000 0.515 41 L N 0.468 121.614 121.223 -0.128 0.000 2.469 41 L HA 0.628 4.968 4.340 0.000 0.000 0.253 41 L C 1.729 178.481 176.870 -0.197 0.000 1.143 41 L CA -0.085 54.633 54.840 -0.203 0.000 0.804 41 L CB 0.483 42.303 42.059 -0.399 0.000 1.214 41 L HN 1.127 nan 8.230 nan 0.000 0.476 42 G N -0.839 107.843 108.800 -0.195 0.000 2.218 42 G HA2 -0.029 3.931 3.960 0.000 0.000 0.216 42 G HA3 -0.029 3.931 3.960 0.000 0.000 0.216 42 G C 0.648 175.533 174.900 -0.026 0.000 0.994 42 G CA -0.048 44.967 45.100 -0.141 0.000 0.637 42 G HN 1.402 nan 8.290 nan 0.000 0.505 43 G N -0.651 108.137 108.800 -0.020 0.000 2.574 43 G HA2 -0.128 3.832 3.960 0.000 0.000 0.282 43 G HA3 -0.128 3.832 3.960 0.000 0.000 0.282 43 G C 1.090 175.982 174.900 -0.014 0.000 1.257 43 G CA 1.519 46.617 45.100 -0.004 0.000 0.956 43 G HN 1.314 nan 8.290 nan 0.000 0.560 44 T N -0.431 114.118 114.554 -0.007 0.000 2.701 44 T HA -0.181 4.169 4.350 0.000 0.000 0.263 44 T C 2.446 177.145 174.700 -0.003 0.000 1.040 44 T CA 2.411 64.505 62.100 -0.010 0.000 1.147 44 T CB -0.741 68.124 68.868 -0.004 0.000 0.865 44 T HN 0.935 nan 8.240 nan 0.000 0.426 45 c N 1.219 119.824 118.600 0.008 0.000 2.376 45 c HA -0.102 4.468 4.570 0.000 0.000 0.275 45 c C 2.588 176.673 174.090 -0.008 0.000 1.200 45 c CA 1.093 57.427 56.329 0.008 0.000 1.756 45 c CB -1.330 41.196 42.510 0.027 0.000 2.050 45 c HN 0.511 nan 8.230 nan 0.000 0.460 46 L N 1.539 122.754 121.223 -0.013 0.000 2.095 46 L HA 0.044 4.384 4.340 0.000 0.000 0.204 46 L C 2.168 179.015 176.870 -0.039 0.000 1.080 46 L CA 2.035 56.853 54.840 -0.036 0.000 0.759 46 L CB -1.096 40.924 42.059 -0.065 0.000 0.914 46 L HN 0.420 nan 8.230 nan 0.000 0.439 47 N N -0.466 118.214 118.700 -0.034 0.000 2.278 47 N HA 0.004 4.744 4.740 0.000 0.000 0.181 47 N C 1.160 176.658 175.510 -0.019 0.000 1.023 47 N CA 1.751 54.783 53.050 -0.030 0.000 0.862 47 N CB 0.278 38.746 38.487 -0.033 0.000 1.003 47 N HN 0.405 nan 8.380 nan 0.000 0.431 48 V N -3.254 116.652 119.914 -0.014 0.000 3.017 48 V HA 0.666 4.786 4.120 0.000 0.000 0.354 48 V C 0.598 176.696 176.094 0.006 0.000 1.389 48 V CA -0.104 62.195 62.300 -0.003 0.000 1.163 48 V CB 0.528 32.348 31.823 -0.005 0.000 1.178 48 V HN 0.160 nan 8.190 nan 0.000 0.547 49 G N -0.376 108.425 108.800 0.001 0.000 3.190 49 G HA2 0.172 4.132 3.960 0.000 0.000 0.191 49 G HA3 0.172 4.132 3.960 0.000 0.000 0.191 49 G C 0.954 175.850 174.900 -0.007 0.000 1.523 49 G CA 0.715 45.820 45.100 0.008 0.000 0.842 49 G HN 0.246 nan 8.290 nan 0.000 0.782 50 c N 1.270 119.861 118.600 -0.015 0.000 2.336 50 c HA -0.137 4.433 4.570 0.000 0.000 0.278 50 c C 2.805 176.836 174.090 -0.098 0.000 1.172 50 c CA 0.991 57.285 56.329 -0.059 0.000 1.779 50 c CB -1.363 41.115 42.510 -0.053 0.000 1.986 50 c HN 0.441 nan 8.230 nan 0.000 0.430 51 I N 2.088 122.612 120.570 -0.076 0.000 2.091 51 I HA -0.142 4.028 4.170 0.000 0.000 0.239 51 I C -0.111 175.966 176.117 -0.067 0.000 1.061 51 I CA 2.006 63.260 61.300 -0.078 0.000 1.317 51 I CB -3.028 34.938 38.000 -0.056 0.000 1.031 51 I HN 0.234 nan 8.210 nan 0.000 0.401 52 P HA -0.082 nan 4.420 nan 0.000 0.215 52 P C 2.090 179.364 177.300 -0.043 0.000 1.153 52 P CA 1.636 64.715 63.100 -0.035 0.000 0.853 52 P CB -0.013 31.678 31.700 -0.015 0.000 0.788 53 S N -0.306 115.369 115.700 -0.041 0.000 2.351 53 S HA -0.196 4.274 4.470 0.000 0.000 0.220 53 S C 1.843 176.402 174.600 -0.069 0.000 1.035 53 S CA 1.696 59.873 58.200 -0.039 0.000 1.031 53 S CB -0.796 62.395 63.200 -0.015 0.000 0.928 53 S HN 0.111 nan 8.310 nan 0.000 0.433 54 K N 1.661 121.987 120.400 -0.122 0.000 2.103 54 K HA 0.047 4.367 4.320 0.000 0.000 0.207 54 K C 2.155 178.707 176.600 -0.080 0.000 1.048 54 K CA 1.184 57.379 56.287 -0.154 0.000 0.930 54 K CB -0.677 31.651 32.500 -0.287 0.000 0.716 54 K HN 0.340 nan 8.250 nan 0.000 0.444 55 A N 0.618 123.398 122.820 -0.067 0.000 1.883 55 A HA -0.160 4.160 4.320 0.000 0.000 0.217 55 A C 2.128 179.688 177.584 -0.040 0.000 1.186 55 A CA 1.497 53.512 52.037 -0.037 0.000 0.624 55 A CB -0.715 18.264 19.000 -0.035 0.000 0.822 55 A HN 0.216 nan 8.150 nan 0.000 0.444 56 L N -1.005 120.173 121.223 -0.076 0.000 2.093 56 L HA -0.140 4.200 4.340 0.000 0.000 0.208 56 L C 2.603 179.408 176.870 -0.108 0.000 1.085 56 L CA 0.855 55.617 54.840 -0.130 0.000 0.755 56 L CB -0.531 41.403 42.059 -0.209 0.000 0.904 56 L HN 0.367 nan 8.230 nan 0.000 0.435 57 L N 0.018 121.203 121.223 -0.065 0.000 2.042 57 L HA -0.262 4.078 4.340 0.000 0.000 0.210 57 L C 2.395 179.270 176.870 0.008 0.000 1.076 57 L CA 1.578 56.411 54.840 -0.011 0.000 0.749 57 L CB -0.416 41.665 42.059 0.036 0.000 0.893 57 L HN 0.353 nan 8.230 nan 0.000 0.432 58 N N -0.269 118.429 118.700 -0.002 0.000 2.106 58 N HA -0.178 4.562 4.740 0.000 0.000 0.188 58 N C 1.609 177.126 175.510 0.012 0.000 1.029 58 N CA 1.408 54.449 53.050 -0.015 0.000 0.848 58 N CB -0.028 38.484 38.487 0.041 0.000 1.007 58 N HN 0.190 nan 8.380 nan 0.000 0.423 59 N N -0.151 118.592 118.700 0.071 0.000 2.106 59 N HA -0.111 4.629 4.740 0.000 0.000 0.188 59 N C 1.783 177.346 175.510 0.088 0.000 1.029 59 N CA 1.489 54.614 53.050 0.124 0.000 0.848 59 N CB -0.717 37.794 38.487 0.040 0.000 1.007 59 N HN 0.439 nan 8.380 nan 0.000 0.423 60 S N 0.216 115.923 115.700 0.011 0.000 2.382 60 S HA -0.202 4.268 4.470 0.000 0.000 0.228 60 S C 1.929 176.605 174.600 0.127 0.000 1.027 60 S CA 1.344 59.563 58.200 0.032 0.000 0.991 60 S CB -0.666 62.488 63.200 -0.077 0.000 0.823 60 S HN 0.482 nan 8.310 nan 0.000 0.469 61 H N 0.660 119.707 119.070 -0.038 0.000 2.353 61 H HA -0.040 4.516 4.556 -0.000 0.000 0.300 61 H C 1.673 176.936 175.328 -0.108 0.000 1.090 61 H CA 1.813 57.797 56.048 -0.107 0.000 1.327 61 H CB -0.675 28.919 29.762 -0.280 0.000 1.383 61 H HN 0.452 nan 8.280 nan 0.000 0.508 62 Y N -0.866 119.325 120.300 -0.182 0.000 2.200 62 Y HA -0.171 4.379 4.550 0.000 0.000 0.290 62 Y C 2.441 178.206 175.900 -0.224 0.000 1.137 62 Y CA 1.385 59.332 58.100 -0.256 0.000 1.163 62 Y CB -1.153 37.246 38.460 -0.101 0.000 0.988 62 Y HN 0.333 nan 8.280 nan 0.000 0.518 63 Y N -0.005 120.278 120.300 -0.028 0.000 2.128 63 Y HA -0.324 4.226 4.550 -0.000 0.000 0.284 63 Y C 2.804 178.693 175.900 -0.019 0.000 1.154 63 Y CA 2.244 60.308 58.100 -0.060 0.000 1.149 63 Y CB -1.030 37.397 38.460 -0.055 0.000 0.976 63 Y HN 0.333 nan 8.280 nan 0.000 0.505 64 H N -0.589 118.367 119.070 -0.189 0.000 2.352 64 H HA -0.189 4.367 4.556 0.000 0.000 0.299 64 H C 2.116 177.291 175.328 -0.256 0.000 1.097 64 H CA 1.626 57.544 56.048 -0.216 0.000 1.311 64 H CB -0.076 29.659 29.762 -0.045 0.000 1.377 64 H HN 0.394 nan 8.280 nan 0.000 0.504 65 M N 0.042 119.409 119.600 -0.389 0.000 2.159 65 M HA -0.153 4.327 4.480 0.000 0.000 0.263 65 M C 2.723 178.700 176.300 -0.539 0.000 1.063 65 M CA 1.451 56.510 55.300 -0.401 0.000 1.110 65 M CB -0.074 32.395 32.600 -0.219 0.000 1.374 65 M HN 0.410 nan 8.290 nan 0.000 0.411 66 A N -0.986 121.363 122.820 -0.785 0.000 1.855 66 A HA -0.171 4.149 4.320 0.000 0.000 0.213 66 A C 1.812 179.173 177.584 -0.372 0.000 1.195 66 A CA 1.641 53.194 52.037 -0.806 0.000 0.610 66 A CB -0.917 17.662 19.000 -0.702 0.000 0.837 66 A HN 0.461 nan 8.150 nan 0.000 0.444 67 H N 0.093 118.845 119.070 -0.531 0.000 2.267 67 H HA 0.060 4.616 4.556 -0.000 0.000 0.297 67 H C 1.685 176.873 175.328 -0.234 0.000 1.080 67 H CA 1.189 56.967 56.048 -0.450 0.000 1.278 67 H CB -0.862 28.392 29.762 -0.845 0.000 1.365 67 H HN 0.430 nan 8.280 nan 0.000 0.489 68 G N -1.559 107.131 108.800 -0.182 0.000 2.393 68 G HA2 -0.087 3.873 3.960 0.000 0.000 0.268 68 G HA3 -0.087 3.873 3.960 0.000 0.000 0.268 68 G C 1.125 175.942 174.900 -0.138 0.000 1.472 68 G CA 0.534 45.546 45.100 -0.146 0.000 1.059 68 G HN 0.494 nan 8.290 nan 0.000 0.555 69 T N -2.085 112.415 114.554 -0.091 0.000 3.057 69 T HA -0.014 4.336 4.350 0.000 0.000 0.254 69 T C 1.768 176.468 174.700 0.000 0.000 1.094 69 T CA 1.390 63.466 62.100 -0.040 0.000 1.088 69 T CB -0.398 68.457 68.868 -0.021 0.000 0.934 69 T HN 0.527 nan 8.240 nan 0.000 0.497 70 D N 0.203 120.598 120.400 -0.009 0.000 2.177 70 D HA -0.185 4.455 4.640 0.000 0.000 0.189 70 D C 1.630 178.029 176.300 0.166 0.000 1.002 70 D CA 1.780 55.822 54.000 0.069 0.000 0.845 70 D CB -0.286 40.561 40.800 0.078 0.000 0.960 70 D HN 0.366 nan 8.370 nan 0.000 0.447 71 F N 0.819 120.718 119.950 -0.084 0.000 2.091 71 F HA -0.109 4.418 4.527 0.000 0.000 0.299 71 F C 2.522 178.295 175.800 -0.045 0.000 1.103 71 F CA 1.108 59.073 58.000 -0.058 0.000 1.228 71 F CB -1.265 37.700 39.000 -0.058 0.000 0.984 71 F HN 0.075 nan 8.300 nan 0.000 0.477 72 A N 0.070 122.974 122.820 0.140 0.000 1.903 72 A HA -0.294 4.026 4.320 0.000 0.000 0.219 72 A C 2.396 179.993 177.584 0.022 0.000 1.191 72 A CA 2.782 54.853 52.037 0.057 0.000 0.638 72 A CB -1.396 17.620 19.000 0.027 0.000 0.823 72 A HN 0.450 nan 8.150 nan 0.000 0.451 73 S N -0.540 115.171 115.700 0.018 0.000 2.447 73 S HA -0.114 4.356 4.470 0.000 0.000 0.233 73 S C 1.680 176.266 174.600 -0.023 0.000 1.006 73 S CA 1.158 59.358 58.200 -0.000 0.000 0.957 73 S CB -0.360 62.843 63.200 0.004 0.000 0.773 73 S HN 0.629 nan 8.310 nan 0.000 0.507 74 R N 0.610 121.079 120.500 -0.052 0.000 2.317 74 R HA 0.296 4.636 4.340 0.000 0.000 0.208 74 R C 1.397 177.647 176.300 -0.084 0.000 0.914 74 R CA 0.405 56.448 56.100 -0.095 0.000 1.060 74 R CB -0.069 30.113 30.300 -0.197 0.000 1.015 74 R HN 0.578 nan 8.270 nan 0.000 0.498 75 G N 1.387 110.158 108.800 -0.049 0.000 2.132 75 G HA2 -0.242 3.718 3.960 0.000 0.000 0.234 75 G HA3 -0.242 3.718 3.960 0.000 0.000 0.234 75 G C 0.118 174.999 174.900 -0.033 0.000 0.989 75 G CA -0.401 44.678 45.100 -0.035 0.000 0.676 75 G HN 0.262 nan 8.290 nan 0.000 0.522 76 I N 1.800 122.350 120.570 -0.033 0.000 2.316 76 I HA 0.247 4.417 4.170 0.000 0.000 0.286 76 I C 0.362 176.524 176.117 0.074 0.000 1.107 76 I CA -0.345 60.958 61.300 0.005 0.000 1.219 76 I CB 0.509 38.477 38.000 -0.052 0.000 1.455 76 I HN 0.131 nan 8.210 nan 0.000 0.498 77 E N 6.827 127.054 120.200 0.045 0.000 2.259 77 E HA 0.462 4.812 4.350 0.000 0.000 0.281 77 E C -0.670 175.960 176.600 0.049 0.000 1.037 77 E CA -0.164 56.262 56.400 0.044 0.000 0.854 77 E CB 1.239 30.953 29.700 0.023 0.000 1.051 77 E HN 0.450 nan 8.360 nan 0.000 0.409 78 M N 1.800 121.428 119.600 0.047 0.000 2.263 78 M HA 0.179 4.659 4.480 0.000 0.000 0.295 78 M C 0.683 176.998 176.300 0.025 0.000 1.028 78 M CA -0.372 54.951 55.300 0.039 0.000 0.921 78 M CB 2.138 34.763 32.600 0.043 0.000 1.601 78 M HN 0.355 nan 8.290 nan 0.000 0.440 79 S N 1.328 117.042 115.700 0.023 0.000 2.365 79 S HA -0.156 4.314 4.470 0.000 0.000 0.221 79 S C 0.511 175.125 174.600 0.023 0.000 1.037 79 S CA 1.644 59.856 58.200 0.020 0.000 1.060 79 S CB -0.248 62.963 63.200 0.019 0.000 0.974 79 S HN 0.826 nan 8.310 nan 0.000 0.427 80 E N -0.491 119.728 120.200 0.031 0.000 2.359 80 E HA 0.670 5.020 4.350 0.000 0.000 0.266 80 E C -1.720 174.915 176.600 0.059 0.000 0.920 80 E CA -0.991 55.437 56.400 0.047 0.000 0.788 80 E CB 1.986 31.714 29.700 0.047 0.000 1.279 80 E HN -0.021 nan 8.360 nan 0.000 0.438 81 V N 1.628 121.603 119.914 0.101 0.000 2.559 81 V HA 0.364 4.484 4.120 0.000 0.000 0.289 81 V C -0.725 175.472 176.094 0.171 0.000 1.036 81 V CA -0.736 61.637 62.300 0.121 0.000 0.887 81 V CB 1.127 33.022 31.823 0.119 0.000 1.022 81 V HN 0.770 nan 8.190 nan 0.000 0.442 82 R N 3.892 124.468 120.500 0.128 0.000 2.732 82 R HA 0.882 5.222 4.340 0.000 0.000 0.278 82 R C -1.128 175.212 176.300 0.068 0.000 0.976 82 R CA -0.918 55.241 56.100 0.098 0.000 0.963 82 R CB 2.185 32.513 30.300 0.046 0.000 1.150 82 R HN 0.471 nan 8.270 nan 0.000 0.478 83 L N 1.992 123.178 121.223 -0.061 0.000 2.292 83 L HA 0.370 4.710 4.340 0.000 0.000 0.284 83 L C -0.913 175.870 176.870 -0.145 0.000 1.065 83 L CA -0.236 54.453 54.840 -0.252 0.000 0.806 83 L CB 1.254 42.978 42.059 -0.559 0.000 1.175 83 L HN 0.789 nan 8.230 nan 0.000 0.431 84 N N 4.534 123.161 118.700 -0.122 0.000 2.936 84 N HA 0.064 4.804 4.740 0.000 0.000 0.243 84 N C 0.628 176.089 175.510 -0.082 0.000 1.149 84 N CA -0.362 52.643 53.050 -0.075 0.000 0.914 84 N CB 0.460 38.919 38.487 -0.046 0.000 1.179 84 N HN 0.787 nan 8.380 nan 0.000 0.502 85 L N 2.266 123.441 121.223 -0.080 0.000 2.187 85 L HA -0.083 4.257 4.340 0.000 0.000 0.213 85 L C 1.317 178.173 176.870 -0.023 0.000 1.100 85 L CA 1.766 56.575 54.840 -0.052 0.000 0.765 85 L CB -0.085 41.975 42.059 0.001 0.000 0.904 85 L HN 0.432 nan 8.230 nan 0.000 0.437 86 D N -0.689 119.698 120.400 -0.022 0.000 2.097 86 D HA -0.170 4.470 4.640 0.000 0.000 0.197 86 D C 2.035 178.324 176.300 -0.018 0.000 0.984 86 D CA 0.846 54.838 54.000 -0.013 0.000 0.826 86 D CB 0.017 40.809 40.800 -0.014 0.000 0.973 86 D HN 0.205 nan 8.370 nan 0.000 0.460 87 K N 0.870 121.255 120.400 -0.026 0.000 2.057 87 K HA -0.068 4.252 4.320 0.000 0.000 0.207 87 K C 2.114 178.697 176.600 -0.029 0.000 1.049 87 K CA 0.513 56.785 56.287 -0.025 0.000 0.931 87 K CB -0.517 31.967 32.500 -0.027 0.000 0.714 87 K HN 0.189 nan 8.250 nan 0.000 0.440 88 M N -0.210 119.365 119.600 -0.042 0.000 2.117 88 M HA -0.166 4.314 4.480 0.000 0.000 0.262 88 M C 1.863 178.139 176.300 -0.040 0.000 1.065 88 M CA 1.409 56.679 55.300 -0.050 0.000 1.114 88 M CB 0.017 32.563 32.600 -0.089 0.000 1.361 88 M HN 0.002 nan 8.290 nan 0.000 0.408 89 M N -0.265 119.318 119.600 -0.028 0.000 2.296 89 M HA -0.181 4.299 4.480 0.000 0.000 0.265 89 M C 1.927 178.220 176.300 -0.011 0.000 1.064 89 M CA 1.528 56.822 55.300 -0.011 0.000 1.109 89 M CB -1.290 31.318 32.600 0.014 0.000 1.396 89 M HN 0.456 nan 8.290 nan 0.000 0.430 90 E N -0.206 119.986 120.200 -0.014 0.000 2.072 90 E HA -0.206 4.144 4.350 0.000 0.000 0.190 90 E C 2.042 178.633 176.600 -0.015 0.000 0.982 90 E CA 0.758 57.150 56.400 -0.013 0.000 0.803 90 E CB 0.056 29.748 29.700 -0.014 0.000 0.755 90 E HN 0.360 nan 8.360 nan 0.000 0.453 91 Q N 1.379 121.169 119.800 -0.017 0.000 2.124 91 Q HA -0.214 4.126 4.340 0.000 0.000 0.202 91 Q C 2.086 178.076 176.000 -0.016 0.000 0.977 91 Q CA 1.413 57.207 55.803 -0.014 0.000 0.850 91 Q CB -0.154 28.579 28.738 -0.010 0.000 0.901 91 Q HN 0.154 nan 8.270 nan 0.000 0.429 92 K N -0.098 120.290 120.400 -0.019 0.000 2.002 92 K HA -0.121 4.199 4.320 0.000 0.000 0.209 92 K C 2.181 178.768 176.600 -0.021 0.000 1.048 92 K CA 1.582 57.856 56.287 -0.023 0.000 0.930 92 K CB -0.385 32.099 32.500 -0.026 0.000 0.714 92 K HN 0.149 nan 8.250 nan 0.000 0.438 93 S N 0.280 115.969 115.700 -0.017 0.000 2.370 93 S HA -0.144 4.326 4.470 0.000 0.000 0.226 93 S C 1.914 176.501 174.600 -0.021 0.000 1.033 93 S CA 2.491 60.681 58.200 -0.017 0.000 1.011 93 S CB -0.615 62.578 63.200 -0.012 0.000 0.852 93 S HN 0.656 nan 8.310 nan 0.000 0.457 94 T N -0.149 114.393 114.554 -0.020 0.000 2.881 94 T HA 0.140 4.490 4.350 0.000 0.000 0.270 94 T C 1.884 176.568 174.700 -0.027 0.000 1.068 94 T CA 1.186 63.272 62.100 -0.022 0.000 1.131 94 T CB -0.700 68.156 68.868 -0.020 0.000 0.871 94 T HN 0.446 nan 8.240 nan 0.000 0.479 95 A N 1.201 124.005 122.820 -0.026 0.000 1.897 95 A HA 0.135 4.455 4.320 0.000 0.000 0.215 95 A C 2.589 180.150 177.584 -0.038 0.000 1.181 95 A CA 1.299 53.318 52.037 -0.030 0.000 0.620 95 A CB -0.916 18.069 19.000 -0.026 0.000 0.821 95 A HN 0.405 nan 8.150 nan 0.000 0.443 96 V N 0.315 120.207 119.914 -0.038 0.000 2.358 96 V HA -0.215 3.905 4.120 0.000 0.000 0.246 96 V C 2.515 178.578 176.094 -0.051 0.000 1.047 96 V CA 2.319 64.592 62.300 -0.045 0.000 1.035 96 V CB -0.663 31.137 31.823 -0.038 0.000 0.658 96 V HN 0.630 nan 8.190 nan 0.000 0.452 97 K N 1.518 121.893 120.400 -0.042 0.000 2.020 97 K HA -0.179 4.141 4.320 0.000 0.000 0.212 97 K C 2.099 178.668 176.600 -0.051 0.000 1.050 97 K CA 2.085 58.347 56.287 -0.042 0.000 0.929 97 K CB -0.876 31.604 32.500 -0.032 0.000 0.714 97 K HN 0.358 nan 8.250 nan 0.000 0.443 98 A N 0.588 123.378 122.820 -0.049 0.000 1.883 98 A HA -0.121 4.199 4.320 0.000 0.000 0.217 98 A C 2.300 179.843 177.584 -0.069 0.000 1.186 98 A CA 1.849 53.854 52.037 -0.054 0.000 0.624 98 A CB -0.767 18.206 19.000 -0.046 0.000 0.822 98 A HN 0.346 nan 8.150 nan 0.000 0.444 99 L N -0.159 121.019 121.223 -0.075 0.000 2.056 99 L HA -0.151 4.189 4.340 0.000 0.000 0.207 99 L C 2.995 179.777 176.870 -0.147 0.000 1.078 99 L CA 1.749 56.529 54.840 -0.100 0.000 0.749 99 L CB -1.064 40.942 42.059 -0.088 0.000 0.901 99 L HN 0.640 nan 8.230 nan 0.000 0.433 100 T N -2.775 111.699 114.554 -0.134 0.000 2.788 100 T HA -0.124 4.226 4.350 0.000 0.000 0.268 100 T C 1.934 176.537 174.700 -0.162 0.000 1.044 100 T CA 1.105 63.106 62.100 -0.165 0.000 1.139 100 T CB -0.954 67.845 68.868 -0.115 0.000 0.867 100 T HN 0.406 nan 8.240 nan 0.000 0.454 101 G N 1.297 110.032 108.800 -0.109 0.000 2.402 101 G HA2 0.121 4.081 3.960 0.000 0.000 0.216 101 G HA3 0.121 4.081 3.960 0.000 0.000 0.216 101 G C 1.738 176.588 174.900 -0.083 0.000 1.162 101 G CA 0.594 45.647 45.100 -0.079 0.000 0.777 101 G HN 0.645 nan 8.290 nan 0.000 0.539 102 G N 1.314 110.055 108.800 -0.100 0.000 2.476 102 G HA2 -0.243 3.717 3.960 0.000 0.000 0.218 102 G HA3 -0.243 3.717 3.960 0.000 0.000 0.218 102 G C 1.755 176.570 174.900 -0.142 0.000 1.164 102 G CA 0.939 45.993 45.100 -0.077 0.000 0.768 102 G HN 0.450 nan 8.290 nan 0.000 0.560 103 I N 1.313 121.690 120.570 -0.322 0.000 2.286 103 I HA -0.172 3.998 4.170 0.000 0.000 0.248 103 I C 3.273 179.067 176.117 -0.538 0.000 1.115 103 I CA 0.855 61.803 61.300 -0.587 0.000 1.392 103 I CB -0.277 37.187 38.000 -0.893 0.000 1.065 103 I HN 0.265 nan 8.210 nan 0.000 0.418 104 A N 0.452 123.085 122.820 -0.312 0.000 1.877 104 A HA -0.305 4.015 4.320 0.000 0.000 0.216 104 A C 2.220 179.802 177.584 -0.002 0.000 1.186 104 A CA 2.116 54.070 52.037 -0.138 0.000 0.620 104 A CB -1.010 17.971 19.000 -0.031 0.000 0.822 104 A HN 0.506 nan 8.150 nan 0.000 0.443 105 H N -0.200 118.829 119.070 -0.069 0.000 2.387 105 H HA -0.015 4.541 4.556 -0.000 0.000 0.299 105 H C 1.702 177.038 175.328 0.013 0.000 1.099 105 H CA 1.902 57.941 56.048 -0.016 0.000 1.315 105 H CB -0.273 29.472 29.762 -0.028 0.000 1.380 105 H HN 0.367 nan 8.280 nan 0.000 0.513 106 L N -1.024 120.156 121.223 -0.071 0.000 2.093 106 L HA -0.149 4.191 4.340 0.000 0.000 0.208 106 L C 2.016 178.946 176.870 0.099 0.000 1.085 106 L CA 0.572 55.384 54.840 -0.047 0.000 0.755 106 L CB -0.383 41.671 42.059 -0.007 0.000 0.904 106 L HN 0.271 nan 8.230 nan 0.000 0.435 107 F N 0.663 120.576 119.950 -0.062 0.000 2.134 107 F HA -0.190 4.337 4.527 -0.000 0.000 0.299 107 F C 2.526 178.299 175.800 -0.045 0.000 1.097 107 F CA 1.072 59.052 58.000 -0.034 0.000 1.264 107 F CB -0.697 38.286 39.000 -0.029 0.000 1.001 107 F HN 0.004 nan 8.300 nan 0.000 0.479 108 K N 0.233 120.710 120.400 0.128 0.000 2.002 108 K HA -0.224 4.096 4.320 0.000 0.000 0.209 108 K C 2.013 178.590 176.600 -0.039 0.000 1.048 108 K CA 1.230 57.534 56.287 0.029 0.000 0.930 108 K CB -1.037 31.461 32.500 -0.003 0.000 0.714 108 K HN 0.369 nan 8.250 nan 0.000 0.438 109 Q N 1.001 120.716 119.800 -0.143 0.000 2.077 109 Q HA -0.136 4.204 4.340 0.000 0.000 0.206 109 Q C 1.157 177.132 176.000 -0.042 0.000 0.989 109 Q CA 1.477 57.195 55.803 -0.141 0.000 0.853 109 Q CB 0.050 28.649 28.738 -0.232 0.000 0.907 109 Q HN 0.282 nan 8.270 nan 0.000 0.418 110 N N 0.306 119.008 118.700 0.003 0.000 2.322 110 N HA 0.018 4.758 4.740 0.000 0.000 0.194 110 N C -0.660 174.853 175.510 0.005 0.000 1.126 110 N CA 0.284 53.346 53.050 0.019 0.000 0.845 110 N CB 0.447 38.968 38.487 0.057 0.000 0.976 110 N HN 0.214 nan 8.380 nan 0.000 0.475 111 K N 0.013 120.414 120.400 0.001 0.000 3.096 111 K HA -0.122 4.198 4.320 0.000 0.000 0.266 111 K C -0.808 175.768 176.600 -0.040 0.000 1.043 111 K CA 0.141 56.422 56.287 -0.010 0.000 0.758 111 K CB -1.722 30.772 32.500 -0.010 0.000 1.260 111 K HN -0.039 nan 8.250 nan 0.000 0.481 112 V N 1.670 121.538 119.914 -0.076 0.000 2.406 112 V HA 0.107 4.227 4.120 0.000 0.000 0.272 112 V C 0.767 176.739 176.094 -0.203 0.000 1.043 112 V CA -0.677 61.482 62.300 -0.235 0.000 0.915 112 V CB 1.652 33.120 31.823 -0.593 0.000 0.988 112 V HN 0.100 nan 8.190 nan 0.000 0.466 113 V N 5.848 125.671 119.914 -0.152 0.000 2.415 113 V HA 0.085 4.205 4.120 0.000 0.000 0.267 113 V C 0.264 176.337 176.094 -0.035 0.000 1.042 113 V CA -0.230 62.032 62.300 -0.064 0.000 1.000 113 V CB 0.097 31.895 31.823 -0.042 0.000 1.015 113 V HN 0.864 nan 8.190 nan 0.000 0.478 114 H N 5.298 124.328 119.070 -0.067 0.000 2.620 114 H HA 0.546 5.102 4.556 -0.000 0.000 0.313 114 H C -0.841 174.500 175.328 0.022 0.000 1.075 114 H CA -0.708 55.346 56.048 0.010 0.000 1.397 114 H CB 1.424 31.281 29.762 0.158 0.000 1.446 114 H HN 0.342 nan 8.280 nan 0.000 0.493 115 V N 7.436 127.502 119.914 0.253 0.000 2.483 115 V HA 0.164 4.284 4.120 0.000 0.000 0.297 115 V C 0.329 176.453 176.094 0.049 0.000 1.027 115 V CA -1.133 61.175 62.300 0.012 0.000 0.855 115 V CB 1.344 33.193 31.823 0.043 0.000 0.995 115 V HN 0.889 nan 8.190 nan 0.000 0.424 116 N N 3.442 122.082 118.700 -0.101 0.000 2.513 116 N HA 0.656 5.396 4.740 0.000 0.000 0.274 116 N C -0.037 175.508 175.510 0.058 0.000 1.189 116 N CA 1.032 54.100 53.050 0.030 0.000 0.975 116 N CB 2.001 40.466 38.487 -0.037 0.000 1.157 116 N HN 1.040 nan 8.380 nan 0.000 0.465 117 G N 0.632 109.489 108.800 0.095 0.000 2.357 117 G HA2 -0.052 3.908 3.960 0.000 0.000 0.643 117 G HA3 -0.052 3.908 3.960 0.000 0.000 0.643 117 G C -2.090 172.894 174.900 0.140 0.000 1.358 117 G CA -0.878 44.290 45.100 0.114 0.000 0.986 117 G HN 0.562 nan 8.290 nan 0.000 0.620 118 Y N 1.588 121.925 120.300 0.062 0.000 2.404 118 Y HA 0.530 5.080 4.550 0.000 0.000 0.344 118 Y C 1.032 176.969 175.900 0.060 0.000 0.995 118 Y CA 0.603 58.747 58.100 0.073 0.000 1.201 118 Y CB 0.957 39.460 38.460 0.072 0.000 1.151 118 Y HN 0.876 nan 8.280 nan 0.000 0.517 119 G N 5.618 114.423 108.800 0.009 0.000 2.415 119 G HA2 0.394 4.354 3.960 0.000 0.000 0.269 119 G HA3 0.394 4.354 3.960 0.000 0.000 0.269 119 G C -1.339 173.629 174.900 0.113 0.000 1.209 119 G CA -0.700 44.435 45.100 0.058 0.000 0.835 119 G HN 0.623 nan 8.290 nan 0.000 0.534 120 K N 2.211 122.681 120.400 0.117 0.000 2.513 120 K HA 0.362 4.682 4.320 0.000 0.000 0.251 120 K C -0.565 176.071 176.600 0.059 0.000 0.939 120 K CA -0.852 55.499 56.287 0.107 0.000 0.793 120 K CB 1.652 34.229 32.500 0.129 0.000 1.241 120 K HN 0.404 nan 8.250 nan 0.000 0.431 121 I N 4.407 125.002 120.570 0.041 0.000 2.494 121 I HA 0.006 4.176 4.170 0.000 0.000 0.289 121 I C 0.776 176.908 176.117 0.024 0.000 1.106 121 I CA 0.124 61.441 61.300 0.027 0.000 1.369 121 I CB 1.130 39.142 38.000 0.019 0.000 1.410 121 I HN 0.744 nan 8.210 nan 0.000 0.523 122 T N 3.918 118.485 114.554 0.023 0.000 3.057 122 T HA 0.211 4.561 4.350 0.000 0.000 0.254 122 T C 0.684 175.391 174.700 0.012 0.000 1.094 122 T CA 0.166 62.277 62.100 0.018 0.000 1.088 122 T CB 0.365 69.244 68.868 0.019 0.000 0.934 122 T HN 0.839 nan 8.240 nan 0.000 0.497 123 G N -0.193 108.614 108.800 0.011 0.000 2.601 123 G HA2 0.389 4.349 3.960 0.000 0.000 0.291 123 G HA3 0.389 4.349 3.960 0.000 0.000 0.291 123 G C 0.070 174.975 174.900 0.008 0.000 1.456 123 G CA -0.656 44.448 45.100 0.008 0.000 0.804 123 G HN -0.166 nan 8.290 nan 0.000 0.499 124 K N -0.779 119.624 120.400 0.005 0.000 2.228 124 K HA -0.130 4.190 4.320 0.000 0.000 0.205 124 K C 0.650 177.255 176.600 0.008 0.000 1.045 124 K CA 1.670 57.960 56.287 0.004 0.000 0.931 124 K CB 0.006 32.507 32.500 0.001 0.000 0.727 124 K HN 0.401 nan 8.250 nan 0.000 0.458 125 N N -0.057 118.648 118.700 0.009 0.000 2.517 125 N HA 0.058 4.798 4.740 0.000 0.000 0.285 125 N C -1.450 174.065 175.510 0.009 0.000 1.528 125 N CA -0.186 52.870 53.050 0.010 0.000 0.892 125 N CB 1.209 39.701 38.487 0.010 0.000 1.356 125 N HN 0.103 nan 8.380 nan 0.000 0.495 126 Q N 0.547 120.353 119.800 0.010 0.000 2.295 126 Q HA 0.410 4.750 4.340 0.000 0.000 0.268 126 Q C -1.990 174.018 176.000 0.014 0.000 1.010 126 Q CA -0.547 55.262 55.803 0.010 0.000 0.856 126 Q CB 1.719 30.464 28.738 0.010 0.000 1.349 126 Q HN -0.053 nan 8.270 nan 0.000 0.412 127 V N 2.413 122.336 119.914 0.015 0.000 2.628 127 V HA 0.633 4.753 4.120 0.000 0.000 0.306 127 V C -0.508 175.602 176.094 0.026 0.000 1.045 127 V CA -0.441 61.871 62.300 0.021 0.000 0.905 127 V CB 2.108 33.941 31.823 0.016 0.000 0.997 127 V HN 0.866 nan 8.190 nan 0.000 0.436 128 T N 3.738 118.314 114.554 0.037 0.000 2.864 128 T HA 0.664 5.014 4.350 0.000 0.000 0.299 128 T C -0.013 174.725 174.700 0.063 0.000 1.011 128 T CA -0.215 61.910 62.100 0.042 0.000 0.975 128 T CB 1.400 70.291 68.868 0.038 0.000 0.962 128 T HN 0.941 nan 8.240 nan 0.000 0.448 129 A N 2.827 125.683 122.820 0.059 0.000 2.286 129 A HA 0.798 5.118 4.320 0.000 0.000 0.286 129 A C 0.170 177.803 177.584 0.083 0.000 1.097 129 A CA -0.530 51.555 52.037 0.081 0.000 0.821 129 A CB 0.517 19.555 19.000 0.063 0.000 1.076 129 A HN 0.675 nan 8.150 nan 0.000 0.490 130 T N 2.255 116.876 114.554 0.113 0.000 3.186 130 T HA 0.289 4.639 4.350 0.000 0.000 0.320 130 T C -0.305 174.451 174.700 0.094 0.000 0.955 130 T CA -0.590 61.563 62.100 0.088 0.000 1.030 130 T CB 0.819 69.733 68.868 0.078 0.000 1.013 130 T HN 0.719 nan 8.240 nan 0.000 0.454 131 K N 1.018 121.456 120.400 0.063 0.000 2.143 131 K HA 0.505 4.825 4.320 0.000 0.000 0.239 131 K C 1.707 178.337 176.600 0.050 0.000 1.048 131 K CA -0.233 56.088 56.287 0.057 0.000 0.867 131 K CB 0.300 32.820 32.500 0.033 0.000 1.088 131 K HN 0.538 nan 8.250 nan 0.000 0.510 132 A N 1.526 124.372 122.820 0.044 0.000 1.898 132 A HA -0.137 4.183 4.320 0.000 0.000 0.216 132 A C 1.089 178.685 177.584 0.021 0.000 1.181 132 A CA 1.815 53.872 52.037 0.033 0.000 0.620 132 A CB -0.556 18.462 19.000 0.032 0.000 0.819 132 A HN 0.870 nan 8.150 nan 0.000 0.442 133 D N -0.800 119.611 120.400 0.018 0.000 2.652 133 D HA 0.225 4.865 4.640 0.000 0.000 0.247 133 D C 1.073 177.380 176.300 0.011 0.000 1.232 133 D CA 0.667 54.674 54.000 0.012 0.000 0.863 133 D CB -0.902 39.903 40.800 0.010 0.000 1.023 133 D HN 0.611 nan 8.370 nan 0.000 0.474 134 G N 0.261 109.068 108.800 0.012 0.000 2.216 134 G HA2 -0.297 3.663 3.960 0.000 0.000 0.269 134 G HA3 -0.297 3.663 3.960 0.000 0.000 0.269 134 G C 0.777 175.685 174.900 0.014 0.000 0.981 134 G CA 0.232 45.339 45.100 0.011 0.000 0.658 134 G HN 0.788 nan 8.290 nan 0.000 0.539 135 G N -0.664 108.145 108.800 0.016 0.000 2.414 135 G HA2 0.467 4.427 3.960 0.000 0.000 0.236 135 G HA3 0.467 4.427 3.960 0.000 0.000 0.236 135 G C 0.114 175.027 174.900 0.020 0.000 1.293 135 G CA 1.128 46.236 45.100 0.015 0.000 0.869 135 G HN 1.007 nan 8.290 nan 0.000 0.556 136 T N 0.524 115.089 114.554 0.017 0.000 2.840 136 T HA 0.488 4.838 4.350 0.000 0.000 0.287 136 T C -0.628 174.083 174.700 0.018 0.000 0.991 136 T CA -0.619 61.494 62.100 0.021 0.000 0.964 136 T CB 1.524 70.403 68.868 0.018 0.000 0.954 136 T HN 0.582 nan 8.240 nan 0.000 0.438 137 Q N 4.504 124.317 119.800 0.022 0.000 2.357 137 Q HA 0.573 4.913 4.340 0.000 0.000 0.266 137 Q C -1.408 174.603 176.000 0.019 0.000 1.021 137 Q CA -0.557 55.256 55.803 0.016 0.000 0.784 137 Q CB 1.280 30.025 28.738 0.012 0.000 1.243 137 Q HN 0.552 nan 8.270 nan 0.000 0.465 138 V N 5.963 125.886 119.914 0.014 0.000 2.546 138 V HA 0.473 4.593 4.120 0.000 0.000 0.284 138 V C 0.061 176.161 176.094 0.011 0.000 1.050 138 V CA -0.373 61.936 62.300 0.014 0.000 0.981 138 V CB 1.122 32.952 31.823 0.012 0.000 0.990 138 V HN 0.751 nan 8.190 nan 0.000 0.474 139 I N 3.786 124.363 120.570 0.011 0.000 2.439 139 I HA 0.386 4.556 4.170 0.000 0.000 0.285 139 I C -0.809 175.311 176.117 0.005 0.000 1.021 139 I CA -0.469 60.834 61.300 0.006 0.000 1.091 139 I CB 1.771 39.773 38.000 0.003 0.000 1.242 139 I HN 0.489 nan 8.210 nan 0.000 0.439 140 D N 4.663 125.066 120.400 0.004 0.000 2.274 140 D HA 0.333 4.973 4.640 0.000 0.000 0.239 140 D C -0.241 176.060 176.300 0.001 0.000 1.104 140 D CA 0.185 54.187 54.000 0.004 0.000 0.840 140 D CB 2.323 43.127 40.800 0.006 0.000 1.100 140 D HN 0.383 nan 8.370 nan 0.000 0.477 141 T N 0.891 115.445 114.554 -0.001 0.000 2.903 141 T HA 0.158 4.508 4.350 0.000 0.000 0.299 141 T C 1.036 175.732 174.700 -0.006 0.000 1.093 141 T CA -0.684 61.411 62.100 -0.009 0.000 1.002 141 T CB 1.372 70.227 68.868 -0.022 0.000 1.127 141 T HN 0.079 nan 8.240 nan 0.000 0.488 142 K N 2.025 122.418 120.400 -0.012 0.000 2.057 142 K HA 0.077 4.397 4.320 0.000 0.000 0.206 142 K C 0.405 177.002 176.600 -0.005 0.000 1.050 142 K CA 0.987 57.272 56.287 -0.003 0.000 0.935 142 K CB -0.040 32.460 32.500 -0.000 0.000 0.715 142 K HN 0.480 nan 8.250 nan 0.000 0.439 143 N N -0.014 118.660 118.700 -0.043 0.000 2.284 143 N HA 0.401 5.141 4.740 0.000 0.000 0.289 143 N C -0.916 174.583 175.510 -0.019 0.000 1.179 143 N CA -0.529 52.514 53.050 -0.011 0.000 0.774 143 N CB 2.353 40.777 38.487 -0.105 0.000 1.548 143 N HN -0.108 nan 8.380 nan 0.000 0.473 144 I N 1.464 122.072 120.570 0.063 0.000 2.465 144 I HA 0.316 4.486 4.170 0.000 0.000 0.291 144 I C -1.010 175.164 176.117 0.094 0.000 1.014 144 I CA -0.873 60.454 61.300 0.045 0.000 1.093 144 I CB 2.176 40.205 38.000 0.048 0.000 1.267 144 I HN 0.191 nan 8.210 nan 0.000 0.431 145 L N 8.284 129.515 121.223 0.015 0.000 2.316 145 L HA 0.571 4.911 4.340 0.000 0.000 0.280 145 L C -0.725 176.161 176.870 0.027 0.000 1.006 145 L CA -0.147 54.705 54.840 0.020 0.000 0.836 145 L CB 1.043 43.045 42.059 -0.095 0.000 1.221 145 L HN 0.389 nan 8.230 nan 0.000 0.418 146 I N 5.389 125.995 120.570 0.062 0.000 2.416 146 I HA 0.496 4.666 4.170 0.000 0.000 0.288 146 I C 0.564 176.705 176.117 0.041 0.000 1.051 146 I CA 0.048 61.374 61.300 0.045 0.000 1.375 146 I CB 1.378 39.408 38.000 0.051 0.000 1.407 146 I HN 0.847 nan 8.210 nan 0.000 0.516 147 A N 3.403 126.242 122.820 0.032 0.000 3.165 147 A HA 0.197 4.517 4.320 0.000 0.000 0.212 147 A C 0.794 178.408 177.584 0.049 0.000 0.935 147 A CA -0.332 51.725 52.037 0.034 0.000 1.100 147 A CB -0.403 18.607 19.000 0.016 0.000 1.260 147 A HN 0.745 nan 8.150 nan 0.000 0.532 148 T N -2.635 111.958 114.554 0.064 0.000 3.163 148 T HA 0.402 4.752 4.350 0.000 0.000 0.260 148 T C 1.455 176.257 174.700 0.170 0.000 1.156 148 T CA 1.172 63.339 62.100 0.111 0.000 1.072 148 T CB -0.412 68.517 68.868 0.101 0.000 0.937 148 T HN 2.100 nan 8.240 nan 0.000 0.528 149 G N 1.642 110.510 108.800 0.114 0.000 2.547 149 G HA2 -0.126 3.834 3.960 0.000 0.000 0.271 149 G HA3 -0.126 3.834 3.960 0.000 0.000 0.271 149 G C 0.014 175.000 174.900 0.144 0.000 1.209 149 G CA 0.364 45.526 45.100 0.103 0.000 0.959 149 G HN 1.617 nan 8.290 nan 0.000 0.563 150 S N -0.804 114.962 115.700 0.110 0.000 2.794 150 S HA 0.838 5.308 4.470 0.000 0.000 0.299 150 S C -0.733 173.898 174.600 0.053 0.000 1.179 150 S CA 0.345 58.619 58.200 0.123 0.000 0.838 150 S CB 2.429 65.676 63.200 0.079 0.000 1.206 150 S HN 1.829 nan 8.310 nan 0.000 0.523 151 E N -0.889 119.352 120.200 0.067 0.000 2.433 151 E HA 0.601 4.951 4.350 0.000 0.000 0.278 151 E C -0.757 175.870 176.600 0.044 0.000 0.976 151 E CA -1.487 54.917 56.400 0.006 0.000 0.793 151 E CB 1.447 31.145 29.700 -0.003 0.000 1.311 151 E HN 0.833 nan 8.360 nan 0.000 0.460 152 V N -0.476 119.456 119.914 0.031 0.000 2.673 152 V HA 0.249 4.369 4.120 0.000 0.000 0.303 152 V C -0.037 176.096 176.094 0.064 0.000 1.046 152 V CA -0.153 62.177 62.300 0.050 0.000 1.126 152 V CB 0.665 32.515 31.823 0.046 0.000 0.934 152 V HN 0.686 nan 8.190 nan 0.000 0.487 153 T N 8.019 122.615 114.554 0.069 0.000 2.749 153 T HA 0.391 4.741 4.350 0.000 0.000 0.295 153 T C -1.998 172.748 174.700 0.076 0.000 0.936 153 T CA -0.448 61.690 62.100 0.064 0.000 1.060 153 T CB 0.885 69.783 68.868 0.049 0.000 0.904 153 T HN 0.870 nan 8.240 nan 0.000 0.500 154 P HA 0.230 nan 4.420 nan 0.000 0.274 154 P C -0.856 176.519 177.300 0.126 0.000 1.231 154 P CA -0.598 62.564 63.100 0.102 0.000 0.790 154 P CB 0.602 32.352 31.700 0.083 0.000 0.951 155 F N 4.572 124.528 119.950 0.009 0.000 2.391 155 F HA 0.350 4.877 4.527 -0.000 0.000 0.359 155 F C -1.991 173.808 175.800 -0.002 0.000 1.122 155 F CA -3.179 54.822 58.000 0.002 0.000 1.120 155 F CB 0.674 39.676 39.000 0.004 0.000 1.142 155 F HN 0.146 nan 8.300 nan 0.000 0.483 156 P HA 0.179 nan 4.420 nan 0.000 0.263 156 P C 0.521 177.984 177.300 0.272 0.000 1.195 156 P CA 1.010 64.174 63.100 0.107 0.000 0.762 156 P CB 0.842 32.513 31.700 -0.048 0.000 0.799 157 G N 2.957 111.871 108.800 0.189 0.000 2.194 157 G HA2 -0.196 3.764 3.960 0.000 0.000 0.236 157 G HA3 -0.196 3.764 3.960 0.000 0.000 0.236 157 G C -0.027 174.941 174.900 0.114 0.000 0.987 157 G CA -0.227 44.967 45.100 0.155 0.000 0.635 157 G HN 0.538 nan 8.290 nan 0.000 0.520 158 I N 1.509 122.163 120.570 0.140 0.000 2.466 158 I HA 0.435 4.605 4.170 0.000 0.000 0.289 158 I C -0.510 175.629 176.117 0.036 0.000 1.026 158 I CA -0.655 60.645 61.300 -0.000 0.000 1.078 158 I CB 2.379 40.247 38.000 -0.220 0.000 1.249 158 I HN -0.013 nan 8.210 nan 0.000 0.429 159 T N 6.817 121.374 114.554 0.005 0.000 2.772 159 T HA 0.489 4.839 4.350 0.000 0.000 0.288 159 T C 0.054 174.752 174.700 -0.003 0.000 0.994 159 T CA -0.438 61.671 62.100 0.015 0.000 0.951 159 T CB 0.775 69.651 68.868 0.013 0.000 0.933 159 T HN 0.441 nan 8.240 nan 0.000 0.447 160 I N 1.080 121.654 120.570 0.007 0.000 2.634 160 I HA 0.435 4.605 4.170 0.000 0.000 0.284 160 I C 0.270 176.384 176.117 -0.006 0.000 1.124 160 I CA -0.340 60.958 61.300 -0.004 0.000 1.417 160 I CB 0.658 38.663 38.000 0.009 0.000 1.396 160 I HN 0.567 nan 8.210 nan 0.000 0.571 161 D N 1.829 122.219 120.400 -0.016 0.000 2.500 161 D HA 0.037 4.677 4.640 0.000 0.000 0.217 161 D C 0.184 176.473 176.300 -0.019 0.000 1.159 161 D CA -0.235 53.756 54.000 -0.016 0.000 0.828 161 D CB 0.135 40.922 40.800 -0.022 0.000 1.039 161 D HN 0.577 nan 8.370 nan 0.000 0.512 162 E N -0.208 119.980 120.200 -0.020 0.000 2.722 162 E HA -0.272 4.078 4.350 0.000 0.000 0.265 162 E C -0.007 176.573 176.600 -0.034 0.000 1.081 162 E CA 1.429 57.815 56.400 -0.022 0.000 0.781 162 E CB -1.479 28.214 29.700 -0.012 0.000 1.372 162 E HN 0.659 nan 8.360 nan 0.000 0.423 163 D N -1.174 119.200 120.400 -0.043 0.000 3.203 163 D HA 0.068 4.708 4.640 0.000 0.000 0.249 163 D C 1.633 177.888 176.300 -0.075 0.000 1.522 163 D CA 1.820 55.788 54.000 -0.053 0.000 1.248 163 D CB 0.011 40.784 40.800 -0.044 0.000 1.126 163 D HN 0.102 nan 8.370 nan 0.000 0.326 164 T N -1.775 112.735 114.554 -0.073 0.000 2.969 164 T HA 0.354 4.704 4.350 0.000 0.000 0.250 164 T C 0.926 175.572 174.700 -0.091 0.000 1.021 164 T CA -0.160 61.886 62.100 -0.091 0.000 1.003 164 T CB 0.532 69.352 68.868 -0.081 0.000 1.040 164 T HN 0.123 nan 8.240 nan 0.000 0.492 165 I N 3.886 124.412 120.570 -0.073 0.000 2.557 165 I HA 0.390 4.560 4.170 0.000 0.000 0.277 165 I C -0.038 176.047 176.117 -0.053 0.000 1.106 165 I CA -1.099 60.159 61.300 -0.070 0.000 1.180 165 I CB 1.256 39.217 38.000 -0.066 0.000 1.392 165 I HN 0.130 nan 8.210 nan 0.000 0.506 166 V N 1.918 121.799 119.914 -0.056 0.000 3.134 166 V HA 0.695 4.815 4.120 0.000 0.000 0.313 166 V C 0.528 176.617 176.094 -0.009 0.000 1.069 166 V CA -0.273 62.006 62.300 -0.034 0.000 1.048 166 V CB 1.618 33.413 31.823 -0.046 0.000 1.119 166 V HN 0.604 nan 8.190 nan 0.000 0.461 167 S N 0.979 116.684 115.700 0.009 0.000 2.718 167 S HA 0.356 4.826 4.470 0.000 0.000 0.292 167 S C 1.411 176.038 174.600 0.044 0.000 1.125 167 S CA 0.115 58.333 58.200 0.030 0.000 1.013 167 S CB 0.962 64.180 63.200 0.030 0.000 1.192 167 S HN 1.723 nan 8.310 nan 0.000 0.535 168 S N 0.141 115.877 115.700 0.059 0.000 2.399 168 S HA -0.121 4.349 4.470 0.000 0.000 0.231 168 S C 1.733 176.375 174.600 0.070 0.000 1.022 168 S CA 1.658 59.904 58.200 0.078 0.000 0.983 168 S CB -1.690 61.558 63.200 0.079 0.000 0.803 168 S HN 0.778 nan 8.310 nan 0.000 0.480 169 T N 2.154 116.735 114.554 0.046 0.000 2.674 169 T HA 0.013 4.363 4.350 0.000 0.000 0.265 169 T C 2.081 176.807 174.700 0.042 0.000 1.039 169 T CA 1.535 63.657 62.100 0.036 0.000 1.150 169 T CB -1.194 67.684 68.868 0.016 0.000 0.864 169 T HN 0.636 nan 8.240 nan 0.000 0.427 170 G N 1.011 109.829 108.800 0.030 0.000 2.422 170 G HA2 -0.029 3.931 3.960 0.000 0.000 0.218 170 G HA3 -0.029 3.931 3.960 0.000 0.000 0.218 170 G C 1.826 176.749 174.900 0.038 0.000 1.146 170 G CA 0.865 45.975 45.100 0.018 0.000 0.769 170 G HN 0.585 nan 8.290 nan 0.000 0.547 171 A N 0.499 123.359 122.820 0.067 0.000 1.972 171 A HA 0.113 4.433 4.320 0.000 0.000 0.219 171 A C 2.317 180.097 177.584 0.327 0.000 1.169 171 A CA 1.033 53.158 52.037 0.146 0.000 0.635 171 A CB -0.326 18.781 19.000 0.179 0.000 0.810 171 A HN 0.366 nan 8.150 nan 0.000 0.446 172 L N -0.749 120.600 121.223 0.211 0.000 2.465 172 L HA -0.021 4.319 4.340 0.000 0.000 0.224 172 L C 1.388 178.372 176.870 0.189 0.000 1.145 172 L CA 0.934 55.886 54.840 0.186 0.000 0.834 172 L CB 0.099 42.213 42.059 0.092 0.000 0.944 172 L HN 0.269 nan 8.230 nan 0.000 0.451 173 S N -0.878 114.924 115.700 0.170 0.000 2.819 173 S HA 0.305 4.775 4.470 0.000 0.000 0.249 173 S C 0.471 175.132 174.600 0.103 0.000 1.030 173 S CA -0.529 57.747 58.200 0.126 0.000 1.052 173 S CB 0.348 63.584 63.200 0.060 0.000 1.017 173 S HN 0.092 nan 8.310 nan 0.000 0.576 174 L N 2.025 123.301 121.223 0.087 0.000 2.605 174 L HA -0.024 4.316 4.340 0.000 0.000 0.296 174 L C 1.626 178.478 176.870 -0.029 0.000 1.255 174 L CA 0.061 54.835 54.840 -0.111 0.000 0.879 174 L CB 0.255 41.997 42.059 -0.527 0.000 1.124 174 L HN 0.064 nan 8.230 nan 0.000 0.507 175 K N 1.856 122.215 120.400 -0.068 0.000 2.365 175 K HA 0.079 4.399 4.320 0.000 0.000 0.197 175 K C -0.205 176.376 176.600 -0.033 0.000 1.042 175 K CA 1.089 57.358 56.287 -0.030 0.000 0.987 175 K CB 0.319 32.796 32.500 -0.038 0.000 0.779 175 K HN 0.350 nan 8.250 nan 0.000 0.484 176 K N -0.694 119.654 120.400 -0.087 0.000 2.556 176 K HA 0.236 4.556 4.320 0.000 0.000 0.274 176 K C -1.279 175.232 176.600 -0.147 0.000 0.966 176 K CA -0.867 55.378 56.287 -0.071 0.000 0.865 176 K CB 1.783 34.239 32.500 -0.074 0.000 1.444 176 K HN -0.297 nan 8.250 nan 0.000 0.433 177 V N 4.349 124.232 119.914 -0.052 0.000 2.425 177 V HA 0.067 4.187 4.120 0.000 0.000 0.276 177 V C -1.711 174.293 176.094 -0.150 0.000 1.017 177 V CA -0.870 61.397 62.300 -0.055 0.000 1.062 177 V CB -0.194 31.670 31.823 0.067 0.000 0.997 177 V HN 0.531 nan 8.190 nan 0.000 0.476 178 P HA 0.050 nan 4.420 nan 0.000 0.267 178 P C 0.778 177.995 177.300 -0.139 0.000 1.209 178 P CA 0.030 62.993 63.100 -0.229 0.000 0.763 178 P CB 1.005 32.510 31.700 -0.326 0.000 0.816 179 E N 3.628 123.768 120.200 -0.101 0.000 2.070 179 E HA -0.201 4.149 4.350 0.000 0.000 0.197 179 E C 0.188 176.745 176.600 -0.071 0.000 1.004 179 E CA 1.253 57.612 56.400 -0.067 0.000 0.805 179 E CB 0.180 29.847 29.700 -0.055 0.000 0.744 179 E HN 0.398 nan 8.360 nan 0.000 0.451 180 K N 0.020 120.366 120.400 -0.089 0.000 2.427 180 K HA 0.392 4.712 4.320 0.000 0.000 0.252 180 K C -1.358 175.172 176.600 -0.117 0.000 0.931 180 K CA -0.646 55.588 56.287 -0.089 0.000 0.793 180 K CB 1.668 34.127 32.500 -0.070 0.000 1.211 180 K HN 0.099 nan 8.250 nan 0.000 0.426 181 M N 4.643 124.168 119.600 -0.125 0.000 2.324 181 M HA 0.374 4.854 4.480 0.000 0.000 0.288 181 M C -2.013 174.216 176.300 -0.119 0.000 1.097 181 M CA -0.840 54.376 55.300 -0.141 0.000 0.928 181 M CB 2.009 34.499 32.600 -0.183 0.000 1.648 181 M HN 0.431 nan 8.290 nan 0.000 0.460 182 V N 5.731 125.588 119.914 -0.096 0.000 2.495 182 V HA 0.724 4.844 4.120 0.000 0.000 0.298 182 V C -1.378 174.689 176.094 -0.045 0.000 1.031 182 V CA -0.383 61.877 62.300 -0.066 0.000 0.871 182 V CB 2.043 33.833 31.823 -0.056 0.000 0.988 182 V HN 0.741 nan 8.190 nan 0.000 0.432 183 V N 8.082 127.992 119.914 -0.006 0.000 2.417 183 V HA 0.491 4.611 4.120 0.000 0.000 0.291 183 V C 0.053 176.190 176.094 0.072 0.000 1.024 183 V CA -0.490 61.835 62.300 0.042 0.000 0.861 183 V CB 1.586 33.469 31.823 0.099 0.000 0.985 183 V HN 0.733 nan 8.190 nan 0.000 0.436 184 I N 4.608 125.219 120.570 0.069 0.000 2.312 184 I HA 0.683 4.853 4.170 0.000 0.000 0.291 184 I C 0.788 176.997 176.117 0.153 0.000 1.031 184 I CA 0.081 61.447 61.300 0.110 0.000 1.293 184 I CB 0.912 38.970 38.000 0.097 0.000 1.403 184 I HN 0.878 nan 8.210 nan 0.000 0.484 185 G N 4.453 113.354 108.800 0.169 0.000 3.226 185 G HA2 0.143 4.103 3.960 0.000 0.000 0.685 185 G HA3 0.143 4.103 3.960 0.000 0.000 0.685 185 G C -0.394 174.616 174.900 0.183 0.000 1.207 185 G CA -0.356 44.845 45.100 0.168 0.000 0.877 185 G HN 0.918 nan 8.290 nan 0.000 0.585 186 A N 1.601 124.524 122.820 0.172 0.000 2.827 186 A HA 0.784 5.104 4.320 0.000 0.000 0.300 186 A C 1.327 179.011 177.584 0.167 0.000 1.237 186 A CA 1.068 53.231 52.037 0.210 0.000 0.964 186 A CB -0.156 18.980 19.000 0.227 0.000 1.143 186 A HN 2.088 nan 8.150 nan 0.000 0.554 187 G N -1.200 107.703 108.800 0.170 0.000 2.563 187 G HA2 0.378 4.338 3.960 0.000 0.000 0.283 187 G HA3 0.378 4.338 3.960 0.000 0.000 0.283 187 G C 1.128 176.167 174.900 0.231 0.000 1.309 187 G CA 0.198 45.405 45.100 0.179 0.000 1.022 187 G HN 0.177 nan 8.290 nan 0.000 0.501 188 V N 0.234 120.294 119.914 0.242 0.000 2.250 188 V HA -0.267 3.853 4.120 0.000 0.000 0.250 188 V C 2.812 179.054 176.094 0.246 0.000 1.060 188 V CA 2.073 64.530 62.300 0.261 0.000 1.030 188 V CB -0.840 31.119 31.823 0.228 0.000 0.643 188 V HN 0.588 nan 8.190 nan 0.000 0.445 189 I N 0.528 121.222 120.570 0.205 0.000 2.142 189 I HA -0.176 3.994 4.170 0.000 0.000 0.240 189 I C 2.666 178.909 176.117 0.210 0.000 1.078 189 I CA 1.839 63.252 61.300 0.188 0.000 1.343 189 I CB -1.063 37.026 38.000 0.150 0.000 1.046 189 I HN 0.431 nan 8.210 nan 0.000 0.405 190 G N 0.496 109.426 108.800 0.216 0.000 2.440 190 G HA2 -0.192 3.768 3.960 0.000 0.000 0.218 190 G HA3 -0.192 3.768 3.960 0.000 0.000 0.218 190 G C 1.703 176.802 174.900 0.331 0.000 1.154 190 G CA 0.995 46.240 45.100 0.242 0.000 0.767 190 G HN 0.254 nan 8.290 nan 0.000 0.552 191 V N 0.548 120.671 119.914 0.349 0.000 2.343 191 V HA -0.162 3.958 4.120 0.000 0.000 0.247 191 V C 2.645 179.011 176.094 0.452 0.000 1.051 191 V CA 2.164 64.718 62.300 0.424 0.000 1.036 191 V CB -0.486 31.545 31.823 0.347 0.000 0.654 191 V HN 0.451 nan 8.190 nan 0.000 0.451 192 E N 0.037 120.443 120.200 0.343 0.000 2.028 192 E HA -0.161 4.189 4.350 0.000 0.000 0.191 192 E C 2.273 178.998 176.600 0.208 0.000 0.988 192 E CA 1.312 57.880 56.400 0.279 0.000 0.799 192 E CB -0.173 29.670 29.700 0.239 0.000 0.755 192 E HN 0.492 nan 8.360 nan 0.000 0.447 193 L N 0.130 121.473 121.223 0.200 0.000 2.056 193 L HA -0.087 4.253 4.340 0.000 0.000 0.207 193 L C 2.628 179.614 176.870 0.194 0.000 1.078 193 L CA 1.169 56.112 54.840 0.171 0.000 0.749 193 L CB -0.821 41.367 42.059 0.215 0.000 0.901 193 L HN 0.254 nan 8.230 nan 0.000 0.433 194 G N -0.877 108.050 108.800 0.212 0.000 2.440 194 G HA2 -0.319 3.641 3.960 0.000 0.000 0.218 194 G HA3 -0.319 3.641 3.960 0.000 0.000 0.218 194 G C 1.832 176.612 174.900 -0.199 0.000 1.154 194 G CA 1.146 46.247 45.100 0.001 0.000 0.767 194 G HN 0.360 nan 8.290 nan 0.000 0.552 195 S N -0.506 115.266 115.700 0.119 0.000 2.383 195 S HA -0.080 4.390 4.470 0.000 0.000 0.227 195 S C 2.536 177.135 174.600 -0.002 0.000 1.026 195 S CA 1.359 59.633 58.200 0.124 0.000 0.981 195 S CB -0.261 63.143 63.200 0.340 0.000 0.818 195 S HN 0.138 nan 8.310 nan 0.000 0.472 196 V N 0.339 120.213 119.914 -0.065 0.000 2.255 196 V HA -0.214 3.906 4.120 0.000 0.000 0.247 196 V C 2.033 177.928 176.094 -0.332 0.000 1.051 196 V CA 2.119 64.265 62.300 -0.256 0.000 1.018 196 V CB -1.026 30.503 31.823 -0.490 0.000 0.641 196 V HN 0.681 nan 8.190 nan 0.000 0.445 197 W N -0.508 120.746 121.300 -0.076 0.000 2.425 197 W HA -0.125 4.535 4.660 0.000 0.000 0.277 197 W C 2.656 179.095 176.519 -0.133 0.000 1.231 197 W CA 0.979 58.259 57.345 -0.108 0.000 1.248 197 W CB -0.260 29.126 29.460 -0.124 0.000 1.117 197 W HN 0.190 nan 8.180 nan 0.000 0.568 198 Q N 1.386 121.179 119.800 -0.011 0.000 2.079 198 Q HA -0.161 4.179 4.340 0.000 0.000 0.200 198 Q C 1.983 177.957 176.000 -0.044 0.000 0.974 198 Q CA 1.525 57.273 55.803 -0.092 0.000 0.840 198 Q CB -0.257 28.342 28.738 -0.231 0.000 0.898 198 Q HN 0.330 nan 8.270 nan 0.000 0.430 199 R N -0.180 120.293 120.500 -0.045 0.000 2.096 199 R HA -0.038 4.302 4.340 0.000 0.000 0.235 199 R C 2.527 178.898 176.300 0.119 0.000 1.127 199 R CA 1.209 57.289 56.100 -0.033 0.000 0.968 199 R CB -0.213 30.093 30.300 0.011 0.000 0.861 199 R HN 0.262 nan 8.270 nan 0.000 0.440 200 L N -1.562 119.702 121.223 0.068 0.000 2.156 200 L HA 0.051 4.391 4.340 0.000 0.000 0.208 200 L C 1.627 178.551 176.870 0.090 0.000 1.095 200 L CA 1.249 56.105 54.840 0.028 0.000 0.770 200 L CB -0.009 42.007 42.059 -0.073 0.000 0.914 200 L HN 0.533 nan 8.230 nan 0.000 0.439 201 G N -1.505 107.352 108.800 0.095 0.000 3.578 201 G HA2 0.012 3.972 3.960 0.000 0.000 0.220 201 G HA3 0.012 3.972 3.960 0.000 0.000 0.220 201 G C 0.278 175.204 174.900 0.042 0.000 0.933 201 G CA -0.109 45.036 45.100 0.075 0.000 0.847 201 G HN 0.323 nan 8.290 nan 0.000 0.612 202 A N 0.429 123.280 122.820 0.053 0.000 2.425 202 A HA 0.535 4.855 4.320 0.000 0.000 0.242 202 A C -0.082 177.473 177.584 -0.048 0.000 1.077 202 A CA 0.777 52.813 52.037 -0.001 0.000 0.781 202 A CB 0.385 19.397 19.000 0.019 0.000 1.020 202 A HN 0.403 nan 8.150 nan 0.000 0.494 203 D N 1.073 121.431 120.400 -0.070 0.000 2.396 203 D HA 0.448 5.088 4.640 0.000 0.000 0.225 203 D C -0.680 175.542 176.300 -0.130 0.000 1.121 203 D CA -0.109 53.842 54.000 -0.082 0.000 0.853 203 D CB 0.694 41.461 40.800 -0.056 0.000 1.043 203 D HN 0.219 nan 8.370 nan 0.000 0.500 204 V N 3.220 123.009 119.914 -0.208 0.000 2.581 204 V HA 0.628 4.748 4.120 0.000 0.000 0.303 204 V C 0.249 176.192 176.094 -0.252 0.000 1.041 204 V CA -0.679 61.436 62.300 -0.309 0.000 0.907 204 V CB 1.992 33.443 31.823 -0.620 0.000 0.994 204 V HN 0.616 nan 8.190 nan 0.000 0.442 205 T N 3.085 117.541 114.554 -0.163 0.000 2.991 205 T HA 0.696 5.046 4.350 0.000 0.000 0.303 205 T C -0.380 174.305 174.700 -0.025 0.000 1.015 205 T CA -0.290 61.767 62.100 -0.071 0.000 1.007 205 T CB 1.643 70.489 68.868 -0.037 0.000 1.034 205 T HN 1.007 nan 8.240 nan 0.000 0.446 206 A N 2.736 125.552 122.820 -0.007 0.000 2.317 206 A HA 0.827 5.147 4.320 0.000 0.000 0.327 206 A C -0.496 177.151 177.584 0.105 0.000 1.178 206 A CA -0.608 51.473 52.037 0.072 0.000 0.817 206 A CB 0.899 19.965 19.000 0.110 0.000 1.189 206 A HN 0.667 nan 8.150 nan 0.000 0.489 207 V N 2.294 122.281 119.914 0.121 0.000 2.384 207 V HA 0.502 4.622 4.120 0.000 0.000 0.287 207 V C -0.363 175.830 176.094 0.165 0.000 1.020 207 V CA -0.340 62.040 62.300 0.133 0.000 0.850 207 V CB 1.274 33.162 31.823 0.108 0.000 0.987 207 V HN 1.001 nan 8.190 nan 0.000 0.436 208 E N 3.059 123.357 120.200 0.163 0.000 2.234 208 E HA 0.375 4.725 4.350 0.000 0.000 0.266 208 E C -0.014 176.684 176.600 0.163 0.000 0.877 208 E CA -0.656 55.838 56.400 0.157 0.000 0.758 208 E CB 1.487 31.247 29.700 0.101 0.000 1.170 208 E HN 0.395 nan 8.360 nan 0.000 0.415 209 F N 4.351 124.327 119.950 0.044 0.000 2.234 209 F HA 0.184 4.711 4.527 -0.000 0.000 0.299 209 F C 0.169 175.977 175.800 0.013 0.000 1.087 209 F CA 0.858 58.878 58.000 0.033 0.000 1.340 209 F CB 0.200 39.218 39.000 0.029 0.000 1.031 209 F HN 0.431 nan 8.300 nan 0.000 0.500 210 L N -0.881 120.319 121.223 -0.038 0.000 2.469 210 L HA 0.297 4.637 4.340 0.000 0.000 0.253 210 L C 1.741 178.530 176.870 -0.135 0.000 1.143 210 L CA 0.035 54.791 54.840 -0.141 0.000 0.804 210 L CB 0.181 42.181 42.059 -0.098 0.000 1.214 210 L HN 0.026 nan 8.230 nan 0.000 0.476 211 G N -1.316 107.440 108.800 -0.073 0.000 3.088 211 G HA2 0.057 4.017 3.960 0.000 0.000 0.212 211 G HA3 0.057 4.017 3.960 0.000 0.000 0.212 211 G C 0.239 175.148 174.900 0.016 0.000 1.173 211 G CA 0.076 45.157 45.100 -0.032 0.000 0.779 211 G HN 0.737 nan 8.290 nan 0.000 0.540 212 H N -1.814 117.218 119.070 -0.064 0.000 2.980 212 H HA 0.591 5.147 4.556 -0.000 0.000 0.367 212 H C -1.169 174.117 175.328 -0.070 0.000 1.206 212 H CA -0.804 55.191 56.048 -0.089 0.000 1.126 212 H CB 1.430 31.143 29.762 -0.082 0.000 1.838 212 H HN 0.113 nan 8.280 nan 0.000 0.552 213 V N -1.670 118.174 119.914 -0.117 0.000 2.850 213 V HA 0.766 4.886 4.120 0.000 0.000 0.315 213 V C 0.983 177.160 176.094 0.138 0.000 1.064 213 V CA 0.256 62.493 62.300 -0.104 0.000 0.979 213 V CB 0.854 32.493 31.823 -0.307 0.000 1.039 213 V HN 1.385 nan 8.190 nan 0.000 0.452 214 G N 0.268 109.185 108.800 0.195 0.000 2.253 214 G HA2 0.351 4.311 3.960 0.000 0.000 0.209 214 G HA3 0.351 4.311 3.960 0.000 0.000 0.209 214 G C 1.509 176.590 174.900 0.301 0.000 0.997 214 G CA 0.359 45.640 45.100 0.302 0.000 0.640 214 G HN 2.984 nan 8.290 nan 0.000 0.496 215 G N -1.548 107.391 108.800 0.232 0.000 2.698 215 G HA2 0.297 4.257 3.960 0.000 0.000 0.225 215 G HA3 0.297 4.257 3.960 0.000 0.000 0.225 215 G C 0.457 175.563 174.900 0.343 0.000 1.345 215 G CA 0.778 46.026 45.100 0.247 0.000 0.871 215 G HN 1.979 nan 8.290 nan 0.000 0.540 216 V N -1.337 118.740 119.914 0.271 0.000 2.686 216 V HA 0.675 4.795 4.120 0.000 0.000 0.295 216 V C 1.808 178.036 176.094 0.225 0.000 1.055 216 V CA 1.098 63.535 62.300 0.229 0.000 1.050 216 V CB 0.547 32.472 31.823 0.171 0.000 0.984 216 V HN 3.050 nan 8.190 nan 0.000 0.482 217 G N 3.084 111.952 108.800 0.114 0.000 2.253 217 G HA2 -0.272 3.688 3.960 0.000 0.000 0.251 217 G HA3 -0.272 3.688 3.960 0.000 0.000 0.251 217 G C 0.223 175.035 174.900 -0.148 0.000 0.998 217 G CA 0.283 45.449 45.100 0.109 0.000 0.621 217 G HN 1.243 nan 8.290 nan 0.000 0.524 218 I N 1.961 122.316 120.570 -0.358 0.000 2.692 218 I HA 0.359 4.529 4.170 0.000 0.000 0.284 218 I C 0.587 176.292 176.117 -0.688 0.000 1.159 218 I CA -0.149 60.537 61.300 -1.024 0.000 1.423 218 I CB 0.533 38.035 38.000 -0.831 0.000 1.380 218 I HN 0.263 nan 8.210 nan 0.000 0.580 219 D N 6.176 126.133 120.400 -0.738 0.000 2.455 219 D HA -0.039 4.601 4.640 0.000 0.000 0.241 219 D C 1.074 177.121 176.300 -0.421 0.000 1.138 219 D CA -0.149 53.506 54.000 -0.574 0.000 0.877 219 D CB 0.918 41.253 40.800 -0.774 0.000 1.187 219 D HN 0.430 nan 8.370 nan 0.000 0.451 220 M N 2.478 121.873 119.600 -0.341 0.000 2.080 220 M HA -0.142 4.338 4.480 0.000 0.000 0.260 220 M C 1.848 178.035 176.300 -0.187 0.000 1.068 220 M CA 1.580 56.720 55.300 -0.266 0.000 1.109 220 M CB -1.133 31.340 32.600 -0.212 0.000 1.342 220 M HN 0.722 nan 8.290 nan 0.000 0.405 221 E N 0.186 120.283 120.200 -0.171 0.000 2.085 221 E HA -0.205 4.145 4.350 0.000 0.000 0.194 221 E C 1.958 178.498 176.600 -0.100 0.000 0.994 221 E CA 1.113 57.444 56.400 -0.114 0.000 0.801 221 E CB 0.127 29.767 29.700 -0.100 0.000 0.743 221 E HN 0.296 nan 8.360 nan 0.000 0.453 222 I N 0.913 121.396 120.570 -0.146 0.000 2.179 222 I HA -0.251 3.919 4.170 0.000 0.000 0.242 222 I C 2.676 178.765 176.117 -0.046 0.000 1.088 222 I CA 1.289 62.525 61.300 -0.106 0.000 1.357 222 I CB -1.469 36.421 38.000 -0.184 0.000 1.051 222 I HN 0.202 nan 8.210 nan 0.000 0.409 223 S N 0.701 116.346 115.700 -0.093 0.000 2.359 223 S HA -0.205 4.265 4.470 0.000 0.000 0.224 223 S C 2.055 176.668 174.600 0.023 0.000 1.035 223 S CA 1.363 59.569 58.200 0.011 0.000 1.018 223 S CB -0.029 63.152 63.200 -0.032 0.000 0.876 223 S HN 0.300 nan 8.310 nan 0.000 0.448 224 K N 1.003 121.382 120.400 -0.035 0.000 2.026 224 K HA -0.029 4.291 4.320 0.000 0.000 0.208 224 K C 2.003 178.586 176.600 -0.029 0.000 1.048 224 K CA 1.423 57.678 56.287 -0.053 0.000 0.929 224 K CB -0.855 31.613 32.500 -0.053 0.000 0.713 224 K HN 0.360 nan 8.250 nan 0.000 0.439 225 N N 0.882 119.588 118.700 0.009 0.000 2.104 225 N HA -0.165 4.575 4.740 0.000 0.000 0.190 225 N C 1.556 177.126 175.510 0.100 0.000 1.024 225 N CA 0.871 53.945 53.050 0.041 0.000 0.853 225 N CB -0.477 38.040 38.487 0.050 0.000 1.008 225 N HN 0.097 nan 8.380 nan 0.000 0.424 226 F N 1.931 121.841 119.950 -0.066 0.000 2.075 226 F HA -0.142 4.385 4.527 0.000 0.000 0.297 226 F C 2.469 178.202 175.800 -0.112 0.000 1.113 226 F CA 1.533 59.496 58.000 -0.062 0.000 1.218 226 F CB -0.871 38.093 39.000 -0.060 0.000 0.984 226 F HN 0.118 nan 8.300 nan 0.000 0.472 227 Q N 0.316 119.949 119.800 -0.278 0.000 2.096 227 Q HA -0.297 4.043 4.340 0.000 0.000 0.204 227 Q C 2.532 178.352 176.000 -0.301 0.000 0.982 227 Q CA 2.202 57.675 55.803 -0.550 0.000 0.850 227 Q CB -0.353 28.070 28.738 -0.524 0.000 0.901 227 Q HN 0.530 nan 8.270 nan 0.000 0.422 228 R N 0.106 120.523 120.500 -0.139 0.000 2.096 228 R HA -0.116 4.224 4.340 0.000 0.000 0.235 228 R C 2.124 178.418 176.300 -0.010 0.000 1.127 228 R CA 1.562 57.632 56.100 -0.051 0.000 0.968 228 R CB -0.304 29.986 30.300 -0.016 0.000 0.861 228 R HN 0.354 nan 8.270 nan 0.000 0.440 229 I N 0.787 121.357 120.570 0.000 0.000 2.315 229 I HA -0.260 3.910 4.170 0.000 0.000 0.248 229 I C 2.162 178.308 176.117 0.049 0.000 1.117 229 I CA 1.028 62.360 61.300 0.054 0.000 1.404 229 I CB -0.211 37.859 38.000 0.116 0.000 1.071 229 I HN 0.238 nan 8.210 nan 0.000 0.419 230 L N 0.043 121.236 121.223 -0.051 0.000 2.027 230 L HA -0.226 4.114 4.340 0.000 0.000 0.206 230 L C 2.650 179.619 176.870 0.166 0.000 1.074 230 L CA 1.477 56.330 54.840 0.021 0.000 0.745 230 L CB -0.633 41.316 42.059 -0.184 0.000 0.898 230 L HN 0.277 nan 8.230 nan 0.000 0.433 231 Q N -0.029 119.859 119.800 0.147 0.000 2.135 231 Q HA -0.272 4.068 4.340 0.000 0.000 0.204 231 Q C 2.145 178.228 176.000 0.138 0.000 0.981 231 Q CA 1.569 57.486 55.803 0.191 0.000 0.856 231 Q CB -0.093 28.734 28.738 0.148 0.000 0.902 231 Q HN 0.323 nan 8.270 nan 0.000 0.425 232 K N 0.484 120.948 120.400 0.106 0.000 2.362 232 K HA -0.132 4.188 4.320 0.000 0.000 0.200 232 K C 1.558 178.227 176.600 0.115 0.000 1.046 232 K CA 0.810 57.155 56.287 0.097 0.000 0.952 232 K CB 0.244 32.794 32.500 0.084 0.000 0.753 232 K HN 0.253 nan 8.250 nan 0.000 0.466 233 Q N -1.382 118.501 119.800 0.139 0.000 2.424 233 Q HA 0.074 4.414 4.340 0.000 0.000 0.204 233 Q C 0.799 176.865 176.000 0.109 0.000 0.933 233 Q CA 0.678 56.566 55.803 0.142 0.000 0.929 233 Q CB 0.887 29.728 28.738 0.172 0.000 1.037 233 Q HN 0.532 nan 8.270 nan 0.000 0.511 234 G N 0.745 109.622 108.800 0.128 0.000 2.192 234 G HA2 -0.241 3.719 3.960 0.000 0.000 0.193 234 G HA3 -0.241 3.719 3.960 0.000 0.000 0.193 234 G C -0.349 174.625 174.900 0.124 0.000 0.999 234 G CA -0.532 44.625 45.100 0.096 0.000 0.659 234 G HN 0.287 nan 8.290 nan 0.000 0.503 235 F N 3.139 123.085 119.950 -0.007 0.000 2.438 235 F HA 0.644 5.171 4.527 -0.000 0.000 0.356 235 F C 0.585 176.299 175.800 -0.144 0.000 1.099 235 F CA -0.909 57.030 58.000 -0.101 0.000 1.185 235 F CB 0.590 39.553 39.000 -0.061 0.000 1.115 235 F HN 0.036 nan 8.300 nan 0.000 0.526 236 K N 5.916 126.456 120.400 0.232 0.000 2.156 236 K HA 0.555 4.875 4.320 0.000 0.000 0.254 236 K C -1.450 175.048 176.600 -0.170 0.000 0.950 236 K CA -0.552 55.784 56.287 0.082 0.000 0.849 236 K CB 1.667 34.204 32.500 0.062 0.000 1.100 236 K HN 0.375 nan 8.250 nan 0.000 0.434 237 F N 0.966 120.965 119.950 0.082 0.000 2.563 237 F HA 0.414 4.941 4.527 -0.000 0.000 0.316 237 F C 0.209 176.026 175.800 0.028 0.000 1.076 237 F CA -0.921 57.098 58.000 0.032 0.000 0.921 237 F CB 1.736 40.689 39.000 -0.078 0.000 1.209 237 F HN 0.046 nan 8.300 nan 0.000 0.462 238 K N 4.303 124.828 120.400 0.208 0.000 2.687 238 K HA 0.397 4.717 4.320 0.000 0.000 0.197 238 K C -0.938 175.733 176.600 0.119 0.000 1.049 238 K CA -0.163 56.202 56.287 0.130 0.000 1.030 238 K CB 1.135 33.690 32.500 0.092 0.000 1.261 238 K HN 0.569 nan 8.250 nan 0.000 0.565 239 L N 1.174 122.454 121.223 0.096 0.000 2.466 239 L HA 0.198 4.538 4.340 0.000 0.000 0.257 239 L C 0.888 177.758 176.870 0.000 0.000 1.189 239 L CA -0.448 54.417 54.840 0.041 0.000 0.813 239 L CB 0.156 42.215 42.059 0.000 0.000 1.118 239 L HN 0.597 nan 8.230 nan 0.000 0.471 240 N N 0.106 118.771 118.700 -0.059 0.000 2.727 240 N HA -0.149 4.591 4.740 0.000 0.000 0.249 240 N C -0.648 174.824 175.510 -0.064 0.000 1.048 240 N CA 0.918 53.885 53.050 -0.139 0.000 0.714 240 N CB -1.063 37.355 38.487 -0.116 0.000 0.959 240 N HN 0.697 nan 8.380 nan 0.000 0.544 241 T N 0.330 114.901 114.554 0.028 0.000 2.861 241 T HA 0.408 4.758 4.350 0.000 0.000 0.287 241 T C 0.249 175.094 174.700 0.241 0.000 1.003 241 T CA -0.701 61.466 62.100 0.110 0.000 0.977 241 T CB 2.875 71.803 68.868 0.100 0.000 0.996 241 T HN 0.176 nan 8.240 nan 0.000 0.448 242 K N 1.948 122.507 120.400 0.265 0.000 2.156 242 K HA 0.687 5.007 4.320 0.000 0.000 0.254 242 K C -1.079 175.649 176.600 0.212 0.000 0.950 242 K CA -0.690 55.780 56.287 0.304 0.000 0.849 242 K CB 1.127 33.805 32.500 0.297 0.000 1.100 242 K HN 0.330 nan 8.250 nan 0.000 0.434 243 V N 3.868 123.933 119.914 0.253 0.000 2.350 243 V HA 0.082 4.202 4.120 0.000 0.000 0.276 243 V C 1.171 177.426 176.094 0.269 0.000 1.028 243 V CA -0.390 62.048 62.300 0.230 0.000 0.860 243 V CB 0.886 32.845 31.823 0.227 0.000 0.990 243 V HN 1.105 nan 8.190 nan 0.000 0.453 244 T N 1.117 115.762 114.554 0.152 0.000 3.014 244 T HA 0.400 4.750 4.350 0.000 0.000 0.263 244 T C 0.835 175.610 174.700 0.125 0.000 1.078 244 T CA 0.659 62.838 62.100 0.130 0.000 1.135 244 T CB 0.331 69.247 68.868 0.080 0.000 0.895 244 T HN 1.184 nan 8.240 nan 0.000 0.480 245 G N -0.189 108.647 108.800 0.060 0.000 2.324 245 G HA2 0.578 4.538 3.960 0.000 0.000 0.293 245 G HA3 0.578 4.538 3.960 0.000 0.000 0.293 245 G C -2.003 172.848 174.900 -0.082 0.000 1.297 245 G CA -0.444 44.652 45.100 -0.007 0.000 0.853 245 G HN 0.841 nan 8.290 nan 0.000 0.535 246 A N -0.897 121.866 122.820 -0.096 0.000 2.594 246 A HA 1.036 5.356 4.320 0.000 0.000 0.295 246 A C -0.358 177.185 177.584 -0.067 0.000 1.071 246 A CA 0.302 52.280 52.037 -0.098 0.000 0.685 246 A CB 1.782 20.688 19.000 -0.155 0.000 1.285 246 A HN 2.325 nan 8.150 nan 0.000 0.405 247 T N -0.821 113.700 114.554 -0.055 0.000 2.952 247 T HA 0.573 4.923 4.350 0.000 0.000 0.305 247 T C -0.885 173.790 174.700 -0.042 0.000 1.064 247 T CA -0.752 61.324 62.100 -0.041 0.000 1.008 247 T CB 1.420 70.272 68.868 -0.027 0.000 1.078 247 T HN 0.580 nan 8.240 nan 0.000 0.459 248 K N 2.545 122.921 120.400 -0.040 0.000 2.338 248 K HA 0.202 4.522 4.320 0.000 0.000 0.290 248 K C 0.188 176.768 176.600 -0.033 0.000 1.069 248 K CA -0.370 55.893 56.287 -0.040 0.000 0.941 248 K CB 0.554 33.030 32.500 -0.039 0.000 1.023 248 K HN 0.471 nan 8.250 nan 0.000 0.477 249 K N 1.343 121.722 120.400 -0.034 0.000 2.350 249 K HA -0.030 4.290 4.320 0.000 0.000 0.279 249 K C 1.117 177.701 176.600 -0.027 0.000 1.027 249 K CA 0.013 56.283 56.287 -0.028 0.000 0.969 249 K CB 1.046 33.529 32.500 -0.028 0.000 0.954 249 K HN 0.460 nan 8.250 nan 0.000 0.474 250 S N 2.227 117.914 115.700 -0.023 0.000 2.465 250 S HA -0.148 4.322 4.470 0.000 0.000 0.241 250 S C 1.276 175.862 174.600 -0.023 0.000 1.000 250 S CA 1.652 59.839 58.200 -0.022 0.000 0.964 250 S CB -0.128 63.062 63.200 -0.018 0.000 0.763 250 S HN 0.747 nan 8.310 nan 0.000 0.512 251 D N -0.598 119.787 120.400 -0.023 0.000 2.352 251 D HA 0.113 4.753 4.640 0.000 0.000 0.232 251 D C 1.332 177.615 176.300 -0.029 0.000 1.055 251 D CA 1.027 55.013 54.000 -0.024 0.000 0.891 251 D CB -0.149 40.637 40.800 -0.022 0.000 0.897 251 D HN 0.535 nan 8.370 nan 0.000 0.529 252 G N 0.911 109.692 108.800 -0.032 0.000 2.956 252 G HA2 -0.271 3.689 3.960 0.000 0.000 0.210 252 G HA3 -0.271 3.689 3.960 0.000 0.000 0.210 252 G C 0.326 175.199 174.900 -0.046 0.000 1.316 252 G CA 0.087 45.164 45.100 -0.039 0.000 0.819 252 G HN 0.436 nan 8.290 nan 0.000 0.544 253 K N 0.782 121.155 120.400 -0.045 0.000 2.187 253 K HA 0.591 4.911 4.320 0.000 0.000 0.247 253 K C -0.070 176.500 176.600 -0.050 0.000 1.019 253 K CA 0.275 56.532 56.287 -0.051 0.000 0.893 253 K CB 1.454 33.925 32.500 -0.047 0.000 1.025 253 K HN 0.517 nan 8.250 nan 0.000 0.500 254 I N 0.414 120.950 120.570 -0.057 0.000 2.509 254 I HA 0.187 4.357 4.170 0.000 0.000 0.293 254 I C -1.423 174.661 176.117 -0.054 0.000 1.020 254 I CA -0.796 60.469 61.300 -0.057 0.000 1.088 254 I CB 1.802 39.761 38.000 -0.068 0.000 1.267 254 I HN 0.463 nan 8.210 nan 0.000 0.430 255 D N 6.596 126.968 120.400 -0.047 0.000 2.232 255 D HA 0.431 5.071 4.640 0.000 0.000 0.242 255 D C -0.720 175.551 176.300 -0.048 0.000 1.093 255 D CA 0.078 54.054 54.000 -0.041 0.000 0.845 255 D CB 2.073 42.855 40.800 -0.030 0.000 1.124 255 D HN 0.200 nan 8.370 nan 0.000 0.467 256 V N 1.886 121.772 119.914 -0.047 0.000 2.513 256 V HA 0.537 4.657 4.120 0.000 0.000 0.299 256 V C 0.008 176.085 176.094 -0.029 0.000 1.035 256 V CA -0.859 61.407 62.300 -0.056 0.000 0.889 256 V CB 1.702 33.485 31.823 -0.066 0.000 0.988 256 V HN 0.662 nan 8.190 nan 0.000 0.440 257 S N 5.768 121.455 115.700 -0.022 0.000 2.456 257 S HA 0.841 5.311 4.470 0.000 0.000 0.316 257 S C -0.606 174.010 174.600 0.026 0.000 1.089 257 S CA -0.617 57.586 58.200 0.004 0.000 1.101 257 S CB 1.139 64.344 63.200 0.008 0.000 0.995 257 S HN 0.746 nan 8.310 nan 0.000 0.468 258 I N -0.339 120.253 120.570 0.036 0.000 3.264 258 I HA 0.921 5.091 4.170 0.000 0.000 0.309 258 I C -0.798 175.356 176.117 0.062 0.000 1.099 258 I CA -1.265 60.071 61.300 0.060 0.000 0.989 258 I CB 2.165 40.201 38.000 0.059 0.000 1.250 258 I HN 0.918 nan 8.210 nan 0.000 0.478 259 E N 1.161 121.408 120.200 0.077 0.000 2.382 259 E HA 0.513 4.863 4.350 0.000 0.000 0.280 259 E C -1.551 175.097 176.600 0.080 0.000 1.161 259 E CA -1.111 55.330 56.400 0.069 0.000 0.905 259 E CB 0.906 30.645 29.700 0.065 0.000 1.268 259 E HN 0.973 nan 8.360 nan 0.000 0.426 260 A N 0.753 123.608 122.820 0.059 0.000 2.547 260 A HA 0.434 4.754 4.320 0.000 0.000 0.233 260 A C 1.367 178.995 177.584 0.073 0.000 1.067 260 A CA 0.622 52.687 52.037 0.048 0.000 0.763 260 A CB 0.109 19.125 19.000 0.027 0.000 1.007 260 A HN 1.046 nan 8.150 nan 0.000 0.506 261 A N 1.630 124.472 122.820 0.037 0.000 2.131 261 A HA 0.164 4.484 4.320 0.000 0.000 0.220 261 A C 1.376 179.022 177.584 0.103 0.000 1.158 261 A CA 1.817 53.898 52.037 0.073 0.000 0.665 261 A CB -0.435 18.412 19.000 -0.256 0.000 0.795 261 A HN 0.760 nan 8.150 nan 0.000 0.460 266 A N 2.483 125.321 122.820 0.031 0.000 2.466 266 A HA 0.528 4.848 4.320 0.000 0.000 0.238 266 A C -0.335 177.264 177.584 0.025 0.000 1.074 266 A CA 0.408 52.464 52.037 0.031 0.000 0.774 266 A CB 0.178 19.196 19.000 0.029 0.000 1.015 266 A HN 0.819 nan 8.150 nan 0.000 0.498 267 E N -0.992 119.223 120.200 0.025 0.000 2.408 267 E HA 0.651 5.001 4.350 0.000 0.000 0.266 267 E C -1.805 174.804 176.600 0.015 0.000 1.025 267 E CA -0.888 55.523 56.400 0.019 0.000 0.881 267 E CB 1.991 31.704 29.700 0.021 0.000 1.660 267 E HN 0.402 nan 8.360 nan 0.000 0.458 268 V N 1.425 121.344 119.914 0.008 0.000 2.777 268 V HA 0.440 4.560 4.120 0.000 0.000 0.306 268 V C -1.160 174.931 176.094 -0.004 0.000 1.112 268 V CA -0.595 61.705 62.300 0.001 0.000 0.917 268 V CB 1.690 33.511 31.823 -0.003 0.000 1.018 268 V HN 0.465 nan 8.190 nan 0.000 0.426 269 I N 2.847 123.410 120.570 -0.011 0.000 2.406 269 I HA 0.547 4.717 4.170 0.000 0.000 0.290 269 I C -0.181 175.919 176.117 -0.029 0.000 0.999 269 I CA -0.350 60.940 61.300 -0.017 0.000 1.124 269 I CB 2.288 40.278 38.000 -0.016 0.000 1.289 269 I HN 0.497 nan 8.210 nan 0.000 0.441 270 T N 4.989 119.525 114.554 -0.030 0.000 2.779 270 T HA 0.512 4.862 4.350 0.000 0.000 0.280 270 T C -0.265 174.407 174.700 -0.046 0.000 0.987 270 T CA -0.533 61.545 62.100 -0.038 0.000 0.966 270 T CB 0.960 69.808 68.868 -0.032 0.000 0.933 270 T HN 0.808 nan 8.240 nan 0.000 0.442 271 C N 1.240 120.505 119.300 -0.058 0.000 3.108 271 C HA 0.644 5.104 4.460 0.000 0.000 0.321 271 C C 0.847 175.790 174.990 -0.079 0.000 1.357 271 C CA -0.808 58.167 59.018 -0.071 0.000 1.562 271 C CB 1.272 28.963 27.740 -0.082 0.000 2.003 271 C HN 0.822 nan 8.230 nan 0.000 0.460 272 D N -0.102 120.241 120.400 -0.095 0.000 2.327 272 D HA 0.156 4.796 4.640 0.000 0.000 0.205 272 D C 0.020 176.247 176.300 -0.122 0.000 0.989 272 D CA 1.204 55.143 54.000 -0.102 0.000 0.873 272 D CB 0.893 41.628 40.800 -0.108 0.000 0.955 272 D HN 0.424 nan 8.370 nan 0.000 0.515 273 V N 1.626 121.456 119.914 -0.140 0.000 2.760 273 V HA 0.279 4.399 4.120 0.000 0.000 0.309 273 V C -1.015 174.999 176.094 -0.134 0.000 1.077 273 V CA -0.929 61.278 62.300 -0.156 0.000 0.910 273 V CB 2.905 34.591 31.823 -0.229 0.000 1.008 273 V HN -0.073 nan 8.190 nan 0.000 0.424 274 L N 5.701 126.855 121.223 -0.115 0.000 2.318 274 L HA 0.663 5.003 4.340 0.000 0.000 0.277 274 L C -0.841 175.981 176.870 -0.081 0.000 1.008 274 L CA -0.350 54.430 54.840 -0.099 0.000 0.846 274 L CB 1.257 43.252 42.059 -0.106 0.000 1.220 274 L HN 0.663 nan 8.230 nan 0.000 0.423 275 L N 6.604 127.791 121.223 -0.059 0.000 2.281 275 L HA 0.468 4.808 4.340 0.000 0.000 0.285 275 L C -0.805 176.069 176.870 0.008 0.000 1.074 275 L CA 0.168 54.997 54.840 -0.018 0.000 0.817 275 L CB 1.241 43.307 42.059 0.012 0.000 1.168 275 L HN 0.400 nan 8.230 nan 0.000 0.434 276 V N 5.706 125.632 119.914 0.019 0.000 2.259 276 V HA 0.247 4.367 4.120 0.000 0.000 0.267 276 V C -0.163 175.985 176.094 0.091 0.000 1.051 276 V CA -0.386 61.944 62.300 0.050 0.000 0.830 276 V CB 0.240 32.084 31.823 0.036 0.000 1.080 276 V HN 0.989 nan 8.190 nan 0.000 0.467 277 C N 3.833 123.201 119.300 0.114 0.000 3.328 277 C HA 0.526 4.986 4.460 0.000 0.000 0.230 277 C C 1.166 176.238 174.990 0.135 0.000 1.232 277 C CA -0.840 58.250 59.018 0.120 0.000 1.431 277 C CB -1.009 26.802 27.740 0.118 0.000 1.818 277 C HN 0.843 nan 8.230 nan 0.000 0.484 278 I N 0.020 120.676 120.570 0.143 0.000 3.684 278 I HA 0.614 4.784 4.170 0.000 0.000 0.304 278 I C 0.854 177.028 176.117 0.095 0.000 1.278 278 I CA 0.738 62.117 61.300 0.131 0.000 1.272 278 I CB -0.067 38.011 38.000 0.131 0.000 1.029 278 I HN 0.805 nan 8.210 nan 0.000 0.458 279 G N 1.060 109.916 108.800 0.093 0.000 2.356 279 G HA2 0.349 4.309 3.960 0.000 0.000 0.288 279 G HA3 0.349 4.309 3.960 0.000 0.000 0.288 279 G C -1.470 173.474 174.900 0.073 0.000 1.302 279 G CA -1.105 44.043 45.100 0.080 0.000 0.887 279 G HN 0.213 nan 8.290 nan 0.000 0.521 280 R N -0.576 119.964 120.500 0.066 0.000 2.740 280 R HA 0.737 5.077 4.340 0.000 0.000 0.273 280 R C -0.206 176.132 176.300 0.062 0.000 0.998 280 R CA -1.006 55.132 56.100 0.064 0.000 0.900 280 R CB 2.613 32.950 30.300 0.062 0.000 1.223 280 R HN 0.893 nan 8.270 nan 0.000 0.466 281 R N 0.258 120.801 120.500 0.073 0.000 2.867 281 R HA 0.595 4.935 4.340 0.000 0.000 0.268 281 R C -2.995 173.365 176.300 0.101 0.000 1.014 281 R CA -2.350 53.794 56.100 0.074 0.000 0.946 281 R CB 1.294 31.635 30.300 0.069 0.000 1.208 281 R HN 0.212 nan 8.270 nan 0.000 0.477 282 P HA -0.017 nan 4.420 nan 0.000 0.266 282 P C -1.380 176.018 177.300 0.163 0.000 1.195 282 P CA 0.094 63.257 63.100 0.105 0.000 0.768 282 P CB 0.202 31.936 31.700 0.058 0.000 0.838 283 F N 3.465 123.431 119.950 0.026 0.000 2.375 283 F HA 0.429 4.956 4.527 -0.000 0.000 0.361 283 F C 0.337 176.155 175.800 0.030 0.000 1.117 283 F CA -0.125 57.894 58.000 0.032 0.000 1.037 283 F CB 0.936 39.955 39.000 0.031 0.000 1.192 283 F HN 0.284 nan 8.300 nan 0.000 0.452 284 T N 1.494 115.738 114.554 -0.516 0.000 3.475 284 T HA 0.196 4.546 4.350 0.000 0.000 0.310 284 T C 0.139 174.582 174.700 -0.428 0.000 0.963 284 T CA -0.575 61.296 62.100 -0.381 0.000 0.985 284 T CB -0.263 68.514 68.868 -0.151 0.000 1.198 284 T HN 0.444 nan 8.240 nan 0.000 0.508 285 K N 2.418 122.369 120.400 -0.748 0.000 2.472 285 K HA 0.039 4.359 4.320 0.000 0.000 0.280 285 K C 0.013 176.552 176.600 -0.102 0.000 1.028 285 K CA 0.440 56.504 56.287 -0.372 0.000 1.045 285 K CB -0.127 32.173 32.500 -0.333 0.000 0.902 285 K HN 0.575 nan 8.250 nan 0.000 0.478 286 N N 2.233 120.908 118.700 -0.042 0.000 2.714 286 N HA -0.242 4.498 4.740 0.000 0.000 0.252 286 N C 0.251 175.825 175.510 0.108 0.000 1.014 286 N CA 0.182 53.245 53.050 0.022 0.000 0.735 286 N CB -0.630 37.849 38.487 -0.014 0.000 0.924 286 N HN 0.413 nan 8.380 nan 0.000 0.540 287 L N -0.902 120.347 121.223 0.044 0.000 2.567 287 L HA 0.291 4.631 4.340 0.000 0.000 0.225 287 L C 1.606 178.497 176.870 0.035 0.000 1.119 287 L CA 1.580 56.449 54.840 0.048 0.000 0.871 287 L CB 0.001 42.048 42.059 -0.019 0.000 1.036 287 L HN 0.447 nan 8.230 nan 0.000 0.459 288 G N -1.270 107.542 108.800 0.021 0.000 2.176 288 G HA2 -0.321 3.639 3.960 0.000 0.000 0.253 288 G HA3 -0.321 3.639 3.960 0.000 0.000 0.253 288 G C 0.889 175.790 174.900 0.001 0.000 0.979 288 G CA 0.462 45.569 45.100 0.013 0.000 0.641 288 G HN 0.290 nan 8.290 nan 0.000 0.530 289 L N 1.442 122.661 121.223 -0.007 0.000 2.043 289 L HA 0.010 4.350 4.340 0.000 0.000 0.212 289 L C 2.825 179.686 176.870 -0.014 0.000 1.075 289 L CA 3.148 57.981 54.840 -0.013 0.000 0.752 289 L CB -0.608 41.438 42.059 -0.022 0.000 0.891 289 L HN 0.700 nan 8.230 nan 0.000 0.432 290 E N -0.229 119.961 120.200 -0.016 0.000 2.118 290 E HA -0.250 4.100 4.350 0.000 0.000 0.195 290 E C 1.786 178.379 176.600 -0.011 0.000 0.992 290 E CA 1.929 58.320 56.400 -0.015 0.000 0.804 290 E CB -0.387 29.303 29.700 -0.016 0.000 0.741 290 E HN 0.624 nan 8.360 nan 0.000 0.458 291 E N 0.363 120.558 120.200 -0.008 0.000 2.208 291 E HA -0.050 4.300 4.350 0.000 0.000 0.193 291 E C 2.130 178.727 176.600 -0.006 0.000 0.988 291 E CA 0.917 57.313 56.400 -0.006 0.000 0.828 291 E CB -0.122 29.577 29.700 -0.003 0.000 0.763 291 E HN 0.328 nan 8.360 nan 0.000 0.478 292 L N -0.307 120.912 121.223 -0.007 0.000 2.291 292 L HA 0.038 4.378 4.340 0.000 0.000 0.214 292 L C 1.590 178.453 176.870 -0.011 0.000 1.120 292 L CA 0.802 55.637 54.840 -0.008 0.000 0.799 292 L CB -0.114 41.940 42.059 -0.008 0.000 0.925 292 L HN 0.399 nan 8.230 nan 0.000 0.446 293 G N 0.186 108.978 108.800 -0.013 0.000 2.163 293 G HA2 -0.234 3.726 3.960 0.000 0.000 0.213 293 G HA3 -0.234 3.726 3.960 0.000 0.000 0.213 293 G C 0.183 175.073 174.900 -0.017 0.000 0.991 293 G CA -0.446 44.646 45.100 -0.014 0.000 0.653 293 G HN 0.221 nan 8.290 nan 0.000 0.518 294 I N 2.619 123.179 120.570 -0.018 0.000 2.291 294 I HA 0.305 4.475 4.170 0.000 0.000 0.292 294 I C 0.651 176.757 176.117 -0.019 0.000 1.064 294 I CA -0.507 60.781 61.300 -0.020 0.000 1.269 294 I CB 0.610 38.598 38.000 -0.020 0.000 1.418 294 I HN 0.337 nan 8.210 nan 0.000 0.485 295 E N 7.204 127.392 120.200 -0.020 0.000 2.222 295 E HA 0.563 4.913 4.350 0.000 0.000 0.272 295 E C -0.709 175.880 176.600 -0.019 0.000 0.982 295 E CA -0.873 55.516 56.400 -0.019 0.000 0.842 295 E CB 2.009 31.699 29.700 -0.017 0.000 1.144 295 E HN 0.416 nan 8.360 nan 0.000 0.397 296 L N 1.349 122.561 121.223 -0.018 0.000 2.475 296 L HA 0.123 4.463 4.340 0.000 0.000 0.250 296 L C 0.600 177.460 176.870 -0.016 0.000 1.224 296 L CA -0.449 54.381 54.840 -0.016 0.000 0.821 296 L CB 0.126 42.175 42.059 -0.016 0.000 1.141 296 L HN 0.718 nan 8.230 nan 0.000 0.494 297 D N -0.795 119.597 120.400 -0.014 0.000 2.387 297 D HA 0.236 4.876 4.640 0.000 0.000 0.255 297 D C -2.120 174.173 176.300 -0.012 0.000 1.081 297 D CA -2.203 51.788 54.000 -0.015 0.000 0.994 297 D CB 0.459 41.248 40.800 -0.018 0.000 1.127 297 D HN 0.105 nan 8.370 nan 0.000 0.513 298 P HA -0.153 nan 4.420 nan 0.000 0.218 298 P C 1.033 178.328 177.300 -0.008 0.000 1.146 298 P CA 1.232 64.326 63.100 -0.010 0.000 0.820 298 P CB 0.177 31.871 31.700 -0.010 0.000 0.778 299 R N -2.442 118.054 120.500 -0.006 0.000 2.276 299 R HA 0.228 4.568 4.340 0.000 0.000 0.196 299 R C 1.383 177.686 176.300 0.004 0.000 0.961 299 R CA 0.996 57.096 56.100 -0.001 0.000 1.024 299 R CB -0.417 29.882 30.300 -0.001 0.000 0.940 299 R HN 0.247 nan 8.270 nan 0.000 0.480 300 G N 1.631 110.431 108.800 0.000 0.000 2.134 300 G HA2 -0.245 3.715 3.960 0.000 0.000 0.209 300 G HA3 -0.245 3.715 3.960 0.000 0.000 0.209 300 G C -0.053 174.850 174.900 0.004 0.000 0.993 300 G CA -0.325 44.776 45.100 0.002 0.000 0.669 300 G HN 0.229 nan 8.290 nan 0.000 0.519 301 R N -0.571 119.930 120.500 0.002 0.000 2.598 301 R HA 0.680 5.020 4.340 0.000 0.000 0.279 301 R C 0.468 176.768 176.300 0.000 0.000 0.984 301 R CA -0.886 55.217 56.100 0.006 0.000 0.999 301 R CB 1.181 31.483 30.300 0.002 0.000 1.114 301 R HN 0.226 nan 8.270 nan 0.000 0.493 302 I N 3.553 124.129 120.570 0.009 0.000 2.379 302 I HA 0.164 4.334 4.170 0.000 0.000 0.290 302 I C -1.999 174.118 176.117 -0.000 0.000 1.063 302 I CA -2.019 59.285 61.300 0.006 0.000 1.351 302 I CB 1.001 39.013 38.000 0.021 0.000 1.410 302 I HN 0.196 nan 8.210 nan 0.000 0.505 303 P HA 0.051 nan 4.420 nan 0.000 0.267 303 P C -0.806 176.472 177.300 -0.037 0.000 1.209 303 P CA 0.045 63.127 63.100 -0.031 0.000 0.763 303 P CB 0.592 32.272 31.700 -0.033 0.000 0.816 304 V N 0.966 120.846 119.914 -0.057 0.000 2.925 304 V HA 0.654 4.774 4.120 0.000 0.000 0.311 304 V C -0.191 175.819 176.094 -0.141 0.000 1.104 304 V CA -1.090 61.165 62.300 -0.074 0.000 0.954 304 V CB 2.143 33.955 31.823 -0.018 0.000 1.022 304 V HN 0.478 nan 8.190 nan 0.000 0.427 305 N N 1.969 120.589 118.700 -0.134 0.000 2.385 305 N HA 0.240 4.980 4.740 0.000 0.000 0.291 305 N C 0.949 176.332 175.510 -0.212 0.000 1.298 305 N CA 0.633 53.599 53.050 -0.140 0.000 0.955 305 N CB -0.483 37.950 38.487 -0.091 0.000 1.096 305 N HN 0.673 nan 8.380 nan 0.000 0.543 306 T N -0.135 114.336 114.554 -0.137 0.000 2.803 306 T HA -0.086 4.264 4.350 0.000 0.000 0.269 306 T C 1.321 175.974 174.700 -0.078 0.000 1.052 306 T CA 1.353 63.377 62.100 -0.126 0.000 1.136 306 T CB -0.204 68.644 68.868 -0.034 0.000 0.864 306 T HN 0.432 nan 8.240 nan 0.000 0.467 307 R N -0.384 120.137 120.500 0.035 0.000 2.388 307 R HA 0.291 4.631 4.340 0.000 0.000 0.247 307 R C -0.258 176.332 176.300 0.485 0.000 0.931 307 R CA -0.210 56.041 56.100 0.252 0.000 1.082 307 R CB 0.017 30.452 30.300 0.225 0.000 1.135 307 R HN 0.262 nan 8.270 nan 0.000 0.525 308 F N 0.011 120.032 119.950 0.118 0.000 2.999 308 F HA -0.270 4.257 4.527 0.000 0.000 0.291 308 F C -0.084 175.765 175.800 0.083 0.000 0.824 308 F CA 0.522 58.602 58.000 0.134 0.000 1.255 308 F CB -1.932 37.179 39.000 0.186 0.000 1.333 308 F HN 0.157 nan 8.300 nan 0.000 0.502 309 Q N 0.039 119.829 119.800 -0.017 0.000 2.235 309 Q HA 0.542 4.882 4.340 0.000 0.000 0.250 309 Q C 0.884 176.777 176.000 -0.178 0.000 0.909 309 Q CA -0.024 55.574 55.803 -0.341 0.000 0.910 309 Q CB 1.723 30.204 28.738 -0.428 0.000 1.223 309 Q HN 0.353 nan 8.270 nan 0.000 0.432 310 T N -1.489 112.957 114.554 -0.180 0.000 2.833 310 T HA 0.193 4.543 4.350 0.000 0.000 0.292 310 T C 0.896 175.533 174.700 -0.105 0.000 1.031 310 T CA -0.548 61.493 62.100 -0.098 0.000 0.937 310 T CB 0.551 69.379 68.868 -0.065 0.000 1.256 310 T HN 0.514 nan 8.240 nan 0.000 0.551 311 K N -0.363 119.994 120.400 -0.072 0.000 2.160 311 K HA 0.042 4.362 4.320 0.000 0.000 0.206 311 K C 0.375 176.933 176.600 -0.070 0.000 1.047 311 K CA 1.104 57.353 56.287 -0.062 0.000 0.930 311 K CB -0.508 31.966 32.500 -0.044 0.000 0.720 311 K HN 0.514 nan 8.250 nan 0.000 0.450 312 I N 1.780 122.304 120.570 -0.077 0.000 2.291 312 I HA 0.079 4.249 4.170 0.000 0.000 0.290 312 I C -1.862 174.180 176.117 -0.126 0.000 1.050 312 I CA -2.300 58.955 61.300 -0.075 0.000 1.245 312 I CB 1.391 39.361 38.000 -0.051 0.000 1.405 312 I HN -0.156 nan 8.210 nan 0.000 0.478 313 P HA -0.255 nan 4.420 nan 0.000 0.222 313 P C 0.757 177.923 177.300 -0.224 0.000 1.154 313 P CA 1.534 64.535 63.100 -0.166 0.000 0.874 313 P CB -0.040 31.613 31.700 -0.078 0.000 0.787 314 N N -1.571 117.064 118.700 -0.108 0.000 2.236 314 N HA 0.036 4.776 4.740 0.000 0.000 0.196 314 N C 0.056 175.616 175.510 0.084 0.000 1.114 314 N CA 0.092 53.159 53.050 0.028 0.000 0.859 314 N CB -0.142 38.385 38.487 0.068 0.000 0.982 314 N HN 0.175 nan 8.380 nan 0.000 0.493 315 I N 1.483 122.007 120.570 -0.076 0.000 2.339 315 I HA 0.306 4.476 4.170 0.000 0.000 0.290 315 I C -0.733 175.346 176.117 -0.064 0.000 0.994 315 I CA -0.843 60.474 61.300 0.028 0.000 1.191 315 I CB 0.631 38.628 38.000 -0.004 0.000 1.343 315 I HN -0.158 nan 8.210 nan 0.000 0.458 316 Y N 4.275 124.580 120.300 0.008 0.000 2.650 316 Y HA 0.854 5.404 4.550 0.000 0.000 0.331 316 Y C 0.205 176.133 175.900 0.045 0.000 1.082 316 Y CA -1.207 56.918 58.100 0.041 0.000 1.171 316 Y CB 1.674 40.157 38.460 0.038 0.000 1.326 316 Y HN 0.544 nan 8.280 nan 0.000 0.513 317 A N 1.048 124.036 122.820 0.279 0.000 2.566 317 A HA 0.835 5.155 4.320 0.000 0.000 0.297 317 A C -1.392 176.329 177.584 0.228 0.000 1.059 317 A CA -0.520 51.628 52.037 0.185 0.000 0.691 317 A CB 0.995 20.076 19.000 0.134 0.000 1.282 317 A HN 0.776 nan 8.150 nan 0.000 0.401 318 I N -1.325 119.315 120.570 0.116 0.000 3.279 318 I HA 0.955 5.125 4.170 0.000 0.000 0.315 318 I C 0.555 176.702 176.117 0.049 0.000 1.225 318 I CA -0.337 60.996 61.300 0.055 0.000 0.947 318 I CB 1.752 39.659 38.000 -0.156 0.000 1.293 318 I HN 2.188 nan 8.210 nan 0.000 0.468 319 G N 1.905 110.726 108.800 0.035 0.000 2.553 319 G HA2 -0.240 3.720 3.960 0.000 0.000 0.242 319 G HA3 -0.240 3.720 3.960 0.000 0.000 0.242 319 G C -0.052 174.879 174.900 0.050 0.000 1.277 319 G CA 0.602 45.720 45.100 0.030 0.000 0.910 319 G HN 0.873 nan 8.290 nan 0.000 0.576 320 D N 0.296 120.719 120.400 0.039 0.000 2.384 320 D HA 0.022 4.662 4.640 0.000 0.000 0.222 320 D C 2.454 178.788 176.300 0.057 0.000 0.976 320 D CA 1.569 55.596 54.000 0.045 0.000 0.915 320 D CB -0.130 40.698 40.800 0.047 0.000 0.896 320 D HN 1.014 nan 8.370 nan 0.000 0.523 321 V N -2.346 117.607 119.914 0.064 0.000 3.650 321 V HA 0.140 4.260 4.120 0.000 0.000 0.271 321 V C 0.841 176.969 176.094 0.057 0.000 1.281 321 V CA -0.057 62.280 62.300 0.062 0.000 1.120 321 V CB -0.529 31.331 31.823 0.062 0.000 0.856 321 V HN -0.020 nan 8.190 nan 0.000 0.443 322 V N -2.468 117.489 119.914 0.071 0.000 3.103 322 V HA 0.978 5.098 4.120 0.000 0.000 0.318 322 V C 0.568 176.677 176.094 0.024 0.000 1.114 322 V CA -0.825 61.518 62.300 0.071 0.000 1.020 322 V CB 1.075 32.997 31.823 0.165 0.000 1.085 322 V HN 0.552 nan 8.190 nan 0.000 0.446 323 A N 0.576 123.381 122.820 -0.026 0.000 2.507 323 A HA 0.645 4.965 4.320 0.000 0.000 0.235 323 A C 0.951 178.422 177.584 -0.189 0.000 1.070 323 A CA 0.830 52.805 52.037 -0.103 0.000 0.768 323 A CB -0.773 18.142 19.000 -0.143 0.000 1.011 323 A HN 2.993 nan 8.150 nan 0.000 0.502 324 G N 0.567 109.224 108.800 -0.237 0.000 2.479 324 G HA2 0.189 4.149 3.960 0.000 0.000 0.686 324 G HA3 0.189 4.149 3.960 0.000 0.000 0.686 324 G C -2.944 171.884 174.900 -0.120 0.000 1.295 324 G CA -0.406 44.494 45.100 -0.334 0.000 0.922 324 G HN 1.010 nan 8.290 nan 0.000 0.582 325 P HA 0.301 nan 4.420 nan 0.000 0.268 325 P C 0.162 177.455 177.300 -0.012 0.000 1.204 325 P CA -0.021 63.079 63.100 -0.001 0.000 0.768 325 P CB 0.461 32.180 31.700 0.033 0.000 0.842 326 M N 3.750 123.349 119.600 -0.001 0.000 3.237 326 M HA 0.223 4.703 4.480 0.000 0.000 0.266 326 M C -0.182 176.098 176.300 -0.034 0.000 1.456 326 M CA 0.392 55.690 55.300 -0.005 0.000 1.593 326 M CB -0.652 31.961 32.600 0.022 0.000 1.129 326 M HN 0.202 nan 8.290 nan 0.000 0.547 327 L N -0.342 120.817 121.223 -0.107 0.000 2.354 327 L HA 0.654 4.994 4.340 0.000 0.000 0.264 327 L C 1.050 177.772 176.870 -0.246 0.000 1.008 327 L CA -0.669 54.038 54.840 -0.221 0.000 0.819 327 L CB 1.774 43.541 42.059 -0.487 0.000 1.339 327 L HN 0.517 nan 8.230 nan 0.000 0.420 328 A N 0.597 123.310 122.820 -0.179 0.000 1.858 328 A HA -0.186 4.134 4.320 0.000 0.000 0.216 328 A C 2.010 179.533 177.584 -0.101 0.000 1.190 328 A CA 1.793 53.783 52.037 -0.077 0.000 0.617 328 A CB -0.938 18.081 19.000 0.031 0.000 0.827 328 A HN 0.960 nan 8.150 nan 0.000 0.443 329 H N -0.799 118.268 119.070 -0.005 0.000 2.489 329 H HA -0.078 4.478 4.556 0.000 0.000 0.295 329 H C 1.706 177.022 175.328 -0.020 0.000 1.082 329 H CA 1.439 57.474 56.048 -0.022 0.000 1.295 329 H CB -0.338 29.411 29.762 -0.022 0.000 1.380 329 H HN 0.467 nan 8.280 nan 0.000 0.548 330 K N 1.819 122.053 120.400 -0.277 0.000 2.062 330 K HA 0.006 4.326 4.320 0.000 0.000 0.205 330 K C 2.343 178.918 176.600 -0.042 0.000 1.051 330 K CA 1.111 57.345 56.287 -0.089 0.000 0.941 330 K CB -0.269 32.181 32.500 -0.083 0.000 0.719 330 K HN 0.293 nan 8.250 nan 0.000 0.440 331 A N 1.794 124.569 122.820 -0.073 0.000 1.877 331 A HA -0.172 4.148 4.320 0.000 0.000 0.216 331 A C 1.980 179.501 177.584 -0.105 0.000 1.186 331 A CA 1.710 53.708 52.037 -0.066 0.000 0.620 331 A CB -0.474 18.494 19.000 -0.054 0.000 0.822 331 A HN 0.522 nan 8.150 nan 0.000 0.443 332 E N -0.185 119.953 120.200 -0.103 0.000 2.058 332 E HA -0.223 4.127 4.350 0.000 0.000 0.194 332 E C 1.622 178.144 176.600 -0.131 0.000 0.997 332 E CA 1.404 57.721 56.400 -0.137 0.000 0.801 332 E CB -0.318 29.311 29.700 -0.119 0.000 0.746 332 E HN 0.600 nan 8.360 nan 0.000 0.450 333 D N 0.696 121.040 120.400 -0.093 0.000 2.097 333 D HA -0.139 4.501 4.640 0.000 0.000 0.195 333 D C 1.783 177.984 176.300 -0.166 0.000 0.989 333 D CA 1.070 55.010 54.000 -0.099 0.000 0.827 333 D CB -0.064 40.697 40.800 -0.065 0.000 0.966 333 D HN 0.208 nan 8.370 nan 0.000 0.456 334 E N -0.015 120.058 120.200 -0.211 0.000 2.051 334 E HA -0.107 4.243 4.350 0.000 0.000 0.192 334 E C 2.257 178.566 176.600 -0.485 0.000 0.991 334 E CA 1.027 57.142 56.400 -0.476 0.000 0.799 334 E CB -0.280 29.129 29.700 -0.486 0.000 0.748 334 E HN 0.313 nan 8.360 nan 0.000 0.449 335 G N 1.550 110.166 108.800 -0.307 0.000 2.459 335 G HA2 -0.273 3.687 3.960 0.000 0.000 0.217 335 G HA3 -0.273 3.687 3.960 0.000 0.000 0.217 335 G C 1.610 176.383 174.900 -0.212 0.000 1.183 335 G CA 0.827 45.778 45.100 -0.248 0.000 0.776 335 G HN 0.113 nan 8.290 nan 0.000 0.552 336 I N 1.529 121.994 120.570 -0.175 0.000 2.099 336 I HA -0.194 3.976 4.170 0.000 0.000 0.239 336 I C 2.823 178.874 176.117 -0.109 0.000 1.066 336 I CA 1.677 62.904 61.300 -0.122 0.000 1.324 336 I CB -0.328 37.614 38.000 -0.097 0.000 1.037 336 I HN 0.361 nan 8.210 nan 0.000 0.401 337 I N -1.329 119.167 120.570 -0.124 0.000 2.394 337 I HA -0.260 3.910 4.170 0.000 0.000 0.251 337 I C 2.830 178.904 176.117 -0.072 0.000 1.136 337 I CA 1.262 62.520 61.300 -0.070 0.000 1.425 337 I CB -0.826 37.156 38.000 -0.031 0.000 1.079 337 I HN 0.362 nan 8.210 nan 0.000 0.425 338 C N 1.195 120.377 119.300 -0.196 0.000 2.436 338 C HA -0.102 4.358 4.460 0.000 0.000 0.277 338 C C 2.825 177.715 174.990 -0.167 0.000 1.241 338 C CA 1.245 60.161 59.018 -0.170 0.000 1.721 338 C CB -0.930 26.620 27.740 -0.317 0.000 2.043 338 C HN 0.500 nan 8.230 nan 0.000 0.472 339 V N 0.926 120.734 119.914 -0.175 0.000 2.343 339 V HA -0.205 3.915 4.120 0.000 0.000 0.247 339 V C 2.495 178.591 176.094 0.004 0.000 1.051 339 V CA 2.515 64.738 62.300 -0.129 0.000 1.036 339 V CB -0.763 31.007 31.823 -0.088 0.000 0.654 339 V HN 0.621 nan 8.190 nan 0.000 0.451 340 E N -0.083 120.121 120.200 0.007 0.000 2.153 340 E HA -0.151 4.199 4.350 0.000 0.000 0.194 340 E C 2.259 178.897 176.600 0.063 0.000 0.988 340 E CA 1.091 57.516 56.400 0.042 0.000 0.811 340 E CB -0.422 29.289 29.700 0.018 0.000 0.746 340 E HN 0.673 nan 8.360 nan 0.000 0.466 341 G N 1.126 109.958 108.800 0.053 0.000 2.404 341 G HA2 -0.257 3.703 3.960 0.000 0.000 0.215 341 G HA3 -0.257 3.703 3.960 0.000 0.000 0.215 341 G C 1.555 176.515 174.900 0.101 0.000 1.174 341 G CA 0.577 45.732 45.100 0.091 0.000 0.780 341 G HN 0.088 nan 8.290 nan 0.000 0.537 342 M N 0.962 120.583 119.600 0.035 0.000 2.144 342 M HA -0.110 4.370 4.480 0.000 0.000 0.260 342 M C 2.661 179.108 176.300 0.246 0.000 1.067 342 M CA 1.450 56.773 55.300 0.038 0.000 1.095 342 M CB -0.204 32.248 32.600 -0.245 0.000 1.365 342 M HN 0.296 nan 8.290 nan 0.000 0.406 343 A N -0.222 122.776 122.820 0.297 0.000 2.261 343 A HA 0.354 4.674 4.320 0.000 0.000 0.208 343 A C 1.538 179.183 177.584 0.101 0.000 1.223 343 A CA 0.751 52.919 52.037 0.217 0.000 0.833 343 A CB -1.101 17.949 19.000 0.084 0.000 0.830 343 A HN 0.728 nan 8.150 nan 0.000 0.483 344 G N -2.121 106.745 108.800 0.109 0.000 2.159 344 G HA2 -0.068 3.892 3.960 0.000 0.000 0.256 344 G HA3 -0.068 3.892 3.960 0.000 0.000 0.256 344 G C 0.717 175.652 174.900 0.058 0.000 0.977 344 G CA 0.347 45.492 45.100 0.075 0.000 0.652 344 G HN 1.366 nan 8.290 nan 0.000 0.531 345 G N -0.391 108.445 108.800 0.060 0.000 2.557 345 G HA2 0.786 4.746 3.960 0.000 0.000 0.292 345 G HA3 0.786 4.746 3.960 0.000 0.000 0.292 345 G C 0.499 175.435 174.900 0.060 0.000 1.237 345 G CA 0.310 45.438 45.100 0.047 0.000 0.978 345 G HN 1.491 nan 8.290 nan 0.000 0.498 346 A N -1.276 121.576 122.820 0.052 0.000 2.351 346 A HA 0.559 4.879 4.320 0.000 0.000 0.257 346 A C -0.338 177.303 177.584 0.095 0.000 1.087 346 A CA -0.253 51.825 52.037 0.067 0.000 0.798 346 A CB 0.866 19.895 19.000 0.048 0.000 1.033 346 A HN 0.881 nan 8.150 nan 0.000 0.488 347 V N 4.158 124.149 119.914 0.128 0.000 2.376 347 V HA 0.430 4.550 4.120 0.000 0.000 0.287 347 V C -0.334 175.882 176.094 0.204 0.000 1.015 347 V CA -0.300 62.099 62.300 0.165 0.000 0.834 347 V CB 0.889 32.837 31.823 0.208 0.000 1.001 347 V HN 0.967 nan 8.190 nan 0.000 0.428 348 H N 5.304 124.415 119.070 0.068 0.000 3.026 348 H HA 0.650 5.206 4.556 0.000 0.000 0.352 348 H C -1.969 173.356 175.328 -0.004 0.000 1.090 348 H CA -0.484 55.584 56.048 0.033 0.000 1.268 348 H CB 2.489 32.253 29.762 0.004 0.000 1.816 348 H HN 0.694 nan 8.280 nan 0.000 0.518 349 I N 4.194 124.413 120.570 -0.586 0.000 2.644 349 I HA 0.181 4.351 4.170 0.000 0.000 0.291 349 I C -1.678 174.041 176.117 -0.664 0.000 1.180 349 I CA -0.585 60.423 61.300 -0.487 0.000 1.040 349 I CB 2.070 39.828 38.000 -0.403 0.000 1.255 349 I HN 0.515 nan 8.210 nan 0.000 0.422 350 D N 5.857 125.994 120.400 -0.438 0.000 2.441 350 D HA 0.245 4.885 4.640 0.000 0.000 0.231 350 D C -0.019 176.138 176.300 -0.239 0.000 1.073 350 D CA -0.084 53.765 54.000 -0.252 0.000 0.850 350 D CB 0.748 41.528 40.800 -0.034 0.000 1.062 350 D HN 0.431 nan 8.370 nan 0.000 0.524 351 Y N 2.377 122.674 120.300 -0.006 0.000 2.574 351 Y HA -0.057 4.493 4.550 0.000 0.000 0.294 351 Y C 2.037 177.957 175.900 0.032 0.000 1.142 351 Y CA 0.515 58.626 58.100 0.019 0.000 1.314 351 Y CB -0.288 38.184 38.460 0.020 0.000 0.991 351 Y HN 0.401 nan 8.280 nan 0.000 0.555 352 N N -0.734 118.049 118.700 0.139 0.000 2.512 352 N HA -0.098 4.642 4.740 0.000 0.000 0.183 352 N C 0.580 176.135 175.510 0.075 0.000 1.073 352 N CA 0.888 54.004 53.050 0.110 0.000 0.911 352 N CB -0.181 38.361 38.487 0.091 0.000 0.964 352 N HN 0.194 nan 8.380 nan 0.000 0.447 353 C N 0.078 119.404 119.300 0.043 0.000 2.884 353 C HA 0.408 4.868 4.460 0.000 0.000 0.287 353 C C 0.168 175.164 174.990 0.010 0.000 1.310 353 C CA -0.790 58.240 59.018 0.020 0.000 1.725 353 C CB -1.035 26.709 27.740 0.005 0.000 2.060 353 C HN 0.021 nan 8.230 nan 0.000 0.618 354 V N 4.912 124.852 119.914 0.044 0.000 2.368 354 V HA 0.243 4.363 4.120 0.000 0.000 0.266 354 V C -1.555 174.558 176.094 0.031 0.000 1.045 354 V CA -0.916 61.430 62.300 0.077 0.000 0.899 354 V CB 0.573 32.489 31.823 0.156 0.000 1.006 354 V HN 0.314 nan 8.190 nan 0.000 0.470 355 P HA 0.354 nan 4.420 nan 0.000 0.274 355 P C -0.562 176.611 177.300 -0.212 0.000 1.256 355 P CA -0.349 62.634 63.100 -0.194 0.000 0.795 355 P CB 1.174 32.718 31.700 -0.260 0.000 1.038 356 S N -0.704 114.656 115.700 -0.567 0.000 2.549 356 S HA 0.594 5.064 4.470 0.000 0.000 0.280 356 S C -0.653 173.482 174.600 -0.774 0.000 1.109 356 S CA -0.550 57.231 58.200 -0.697 0.000 0.905 356 S CB 1.551 64.013 63.200 -1.230 0.000 1.081 356 S HN 0.284 nan 8.310 nan 0.000 0.477 357 V N 2.613 122.221 119.914 -0.510 0.000 2.925 357 V HA 0.602 4.722 4.120 0.000 0.000 0.311 357 V C -1.132 174.720 176.094 -0.404 0.000 1.104 357 V CA -0.658 61.322 62.300 -0.533 0.000 0.954 357 V CB 1.964 33.367 31.823 -0.701 0.000 1.022 357 V HN 0.843 nan 8.190 nan 0.000 0.427 358 I N 2.802 123.138 120.570 -0.389 0.000 2.439 358 I HA 0.354 4.524 4.170 0.000 0.000 0.285 358 I C -0.752 175.229 176.117 -0.226 0.000 1.021 358 I CA -0.435 60.786 61.300 -0.131 0.000 1.091 358 I CB 1.911 39.898 38.000 -0.021 0.000 1.242 358 I HN 0.637 nan 8.210 nan 0.000 0.439 359 Y N 3.728 124.052 120.300 0.040 0.000 2.547 359 Y HA 0.028 4.578 4.550 -0.000 0.000 0.325 359 Y C 1.758 177.697 175.900 0.065 0.000 1.165 359 Y CA -0.462 57.654 58.100 0.027 0.000 1.300 359 Y CB -0.615 37.856 38.460 0.018 0.000 1.126 359 Y HN 0.543 nan 8.280 nan 0.000 0.513 360 T N -2.789 111.892 114.554 0.211 0.000 2.715 360 T HA 0.111 4.461 4.350 0.000 0.000 0.320 360 T C -0.522 174.284 174.700 0.177 0.000 1.046 360 T CA -0.420 61.840 62.100 0.266 0.000 0.983 360 T CB 0.811 69.955 68.868 0.461 0.000 1.183 360 T HN 0.387 nan 8.240 nan 0.000 0.522 361 H N 1.120 120.249 119.070 0.098 0.000 3.013 361 H HA 0.425 4.981 4.556 -0.000 0.000 0.326 361 H C -2.602 172.795 175.328 0.115 0.000 0.973 361 H CA -1.696 54.341 56.048 -0.018 0.000 1.369 361 H CB 1.283 30.886 29.762 -0.266 0.000 1.598 361 H HN 0.506 nan 8.280 nan 0.000 0.518 362 P HA 0.003 nan 4.420 nan 0.000 0.270 362 P C -0.470 176.759 177.300 -0.119 0.000 1.223 362 P CA -0.050 62.917 63.100 -0.222 0.000 0.785 362 P CB 1.594 33.249 31.700 -0.075 0.000 0.923 363 E N -0.172 119.877 120.200 -0.252 0.000 2.312 363 E HA 0.438 4.788 4.350 0.000 0.000 0.259 363 E C -0.617 175.822 176.600 -0.268 0.000 1.122 363 E CA -0.980 55.282 56.400 -0.230 0.000 0.922 363 E CB 0.975 30.520 29.700 -0.258 0.000 1.109 363 E HN 0.183 nan 8.360 nan 0.000 0.442 364 V N 0.380 120.111 119.914 -0.305 0.000 2.686 364 V HA 0.727 4.847 4.120 0.000 0.000 0.306 364 V C -0.821 175.217 176.094 -0.093 0.000 1.065 364 V CA -0.747 61.423 62.300 -0.217 0.000 0.894 364 V CB 1.549 33.127 31.823 -0.408 0.000 1.004 364 V HN 0.783 nan 8.190 nan 0.000 0.424 365 A N 3.990 126.845 122.820 0.057 0.000 2.574 365 A HA 1.014 5.334 4.320 0.000 0.000 0.297 365 A C -1.716 175.974 177.584 0.176 0.000 1.062 365 A CA -0.606 51.388 52.037 -0.072 0.000 0.686 365 A CB 1.739 20.618 19.000 -0.201 0.000 1.285 365 A HN 1.703 nan 8.150 nan 0.000 0.403 366 W N -0.057 121.173 121.300 -0.117 0.000 3.066 366 W HA 0.738 5.398 4.660 0.000 0.000 0.330 366 W C -2.006 174.412 176.519 -0.168 0.000 1.253 366 W CA -1.071 56.158 57.345 -0.192 0.000 1.187 366 W CB 1.038 30.401 29.460 -0.161 0.000 1.434 366 W HN 1.088 nan 8.180 nan 0.000 0.572 367 V N 2.498 122.381 119.914 -0.051 0.000 3.048 367 V HA 0.835 4.955 4.120 0.000 0.000 0.303 367 V C 0.275 176.378 176.094 0.015 0.000 1.214 367 V CA 0.460 62.736 62.300 -0.040 0.000 0.984 367 V CB 1.342 33.121 31.823 -0.073 0.000 1.054 367 V HN 2.271 nan 8.190 nan 0.000 0.430 368 G N 5.349 114.195 108.800 0.075 0.000 2.499 368 G HA2 -0.145 3.815 3.960 0.000 0.000 0.232 368 G HA3 -0.145 3.815 3.960 0.000 0.000 0.232 368 G C -0.544 174.439 174.900 0.138 0.000 1.251 368 G CA 0.225 45.377 45.100 0.086 0.000 0.917 368 G HN 0.957 nan 8.290 nan 0.000 0.580 369 K N 0.505 120.978 120.400 0.122 0.000 2.156 369 K HA 0.650 4.970 4.320 0.000 0.000 0.250 369 K C 0.631 177.350 176.600 0.199 0.000 0.955 369 K CA 0.038 56.402 56.287 0.128 0.000 0.855 369 K CB 1.689 34.212 32.500 0.040 0.000 1.101 369 K HN 0.883 nan 8.250 nan 0.000 0.434 370 S N 0.173 115.915 115.700 0.069 0.000 2.669 370 S HA 0.155 4.625 4.470 0.000 0.000 0.270 370 S C 0.858 175.311 174.600 -0.246 0.000 1.225 370 S CA -0.619 57.494 58.200 -0.145 0.000 0.991 370 S CB 1.208 64.279 63.200 -0.215 0.000 0.987 370 S HN 0.647 nan 8.310 nan 0.000 0.552 371 E N 0.546 120.548 120.200 -0.331 0.000 2.110 371 E HA -0.165 4.185 4.350 0.000 0.000 0.193 371 E C 1.703 178.198 176.600 -0.175 0.000 0.988 371 E CA 1.414 57.622 56.400 -0.319 0.000 0.804 371 E CB -0.169 29.444 29.700 -0.145 0.000 0.745 371 E HN 0.698 nan 8.360 nan 0.000 0.458 372 E N 0.941 121.053 120.200 -0.147 0.000 2.077 372 E HA -0.198 4.152 4.350 0.000 0.000 0.193 372 E C 1.993 178.553 176.600 -0.067 0.000 0.989 372 E CA 1.123 57.468 56.400 -0.092 0.000 0.800 372 E CB -0.141 29.491 29.700 -0.114 0.000 0.746 372 E HN 0.290 nan 8.360 nan 0.000 0.452 373 Q N -0.103 119.648 119.800 -0.081 0.000 2.079 373 Q HA -0.060 4.280 4.340 0.000 0.000 0.200 373 Q C 2.287 178.263 176.000 -0.041 0.000 0.974 373 Q CA 0.951 56.728 55.803 -0.044 0.000 0.840 373 Q CB -0.146 28.577 28.738 -0.024 0.000 0.898 373 Q HN 0.290 nan 8.270 nan 0.000 0.430 374 L N 0.581 121.744 121.223 -0.099 0.000 2.046 374 L HA -0.204 4.136 4.340 0.000 0.000 0.208 374 L C 2.287 179.178 176.870 0.035 0.000 1.077 374 L CA 1.266 56.053 54.840 -0.088 0.000 0.747 374 L CB -0.309 41.539 42.059 -0.351 0.000 0.896 374 L HN 0.154 nan 8.230 nan 0.000 0.432 375 K N 0.299 120.735 120.400 0.061 0.000 2.001 375 K HA -0.201 4.119 4.320 0.000 0.000 0.208 375 K C 1.984 178.616 176.600 0.054 0.000 1.048 375 K CA 1.770 58.121 56.287 0.107 0.000 0.932 375 K CB -0.199 32.359 32.500 0.097 0.000 0.715 375 K HN 0.450 nan 8.250 nan 0.000 0.437 376 E N 1.203 121.418 120.200 0.025 0.000 2.204 376 E HA -0.229 4.121 4.350 0.000 0.000 0.195 376 E C 1.221 177.835 176.600 0.023 0.000 0.990 376 E CA 1.267 57.678 56.400 0.019 0.000 0.821 376 E CB -0.134 29.571 29.700 0.008 0.000 0.750 376 E HN 0.396 nan 8.360 nan 0.000 0.477 377 E N 0.265 120.481 120.200 0.026 0.000 2.435 377 E HA 0.070 4.420 4.350 0.000 0.000 0.195 377 E C 0.796 177.419 176.600 0.038 0.000 1.029 377 E CA 0.287 56.705 56.400 0.029 0.000 0.865 377 E CB 0.329 30.045 29.700 0.027 0.000 0.833 377 E HN 0.503 nan 8.360 nan 0.000 0.510 378 G N 1.680 110.510 108.800 0.049 0.000 2.171 378 G HA2 -0.205 3.755 3.960 0.000 0.000 0.238 378 G HA3 -0.205 3.755 3.960 0.000 0.000 0.238 378 G C 0.017 174.959 174.900 0.069 0.000 1.039 378 G CA -0.273 44.859 45.100 0.053 0.000 0.759 378 G HN 0.113 nan 8.290 nan 0.000 0.501 379 I N 0.270 120.901 120.570 0.101 0.000 2.353 379 I HA 0.425 4.595 4.170 0.000 0.000 0.293 379 I C 0.495 176.737 176.117 0.209 0.000 0.992 379 I CA -1.205 60.172 61.300 0.127 0.000 1.268 379 I CB 1.504 39.572 38.000 0.112 0.000 1.387 379 I HN 0.171 nan 8.210 nan 0.000 0.478 380 E N 6.785 127.068 120.200 0.139 0.000 2.223 380 E HA 0.345 4.695 4.350 0.000 0.000 0.282 380 E C -1.259 175.434 176.600 0.154 0.000 1.046 380 E CA -0.012 56.438 56.400 0.084 0.000 0.857 380 E CB 0.394 30.108 29.700 0.024 0.000 1.055 380 E HN 0.377 nan 8.360 nan 0.000 0.409 381 Y N 1.409 121.712 120.300 0.005 0.000 2.638 381 Y HA 0.620 5.170 4.550 -0.000 0.000 0.339 381 Y C -0.845 175.057 175.900 0.003 0.000 1.084 381 Y CA -1.420 56.685 58.100 0.009 0.000 1.068 381 Y CB 0.945 39.414 38.460 0.015 0.000 1.294 381 Y HN 0.332 nan 8.280 nan 0.000 0.480 382 K N 0.632 121.122 120.400 0.150 0.000 2.350 382 K HA 0.877 5.197 4.320 0.000 0.000 0.241 382 K C -1.795 174.908 176.600 0.172 0.000 0.994 382 K CA -1.106 55.215 56.287 0.056 0.000 0.839 382 K CB 2.562 35.078 32.500 0.026 0.000 1.244 382 K HN 0.525 nan 8.250 nan 0.000 0.443 383 V N 0.474 120.450 119.914 0.104 0.000 2.540 383 V HA 0.574 4.694 4.120 0.000 0.000 0.302 383 V C -0.206 175.933 176.094 0.075 0.000 1.035 383 V CA -0.717 61.654 62.300 0.118 0.000 0.873 383 V CB 1.757 33.650 31.823 0.116 0.000 0.992 383 V HN 0.973 nan 8.190 nan 0.000 0.428 384 G N 3.369 112.211 108.800 0.071 0.000 2.544 384 G HA2 0.715 4.675 3.960 0.000 0.000 0.313 384 G HA3 0.715 4.675 3.960 0.000 0.000 0.313 384 G C -0.990 173.949 174.900 0.065 0.000 1.316 384 G CA -0.615 44.523 45.100 0.063 0.000 0.944 384 G HN 0.599 nan 8.290 nan 0.000 0.489 385 K N 1.050 121.504 120.400 0.089 0.000 2.422 385 K HA 0.553 4.873 4.320 0.000 0.000 0.251 385 K C -1.997 174.665 176.600 0.104 0.000 0.933 385 K CA -0.746 55.581 56.287 0.067 0.000 0.798 385 K CB 2.863 35.388 32.500 0.043 0.000 1.238 385 K HN 0.401 nan 8.250 nan 0.000 0.428 386 F N 4.511 124.357 119.950 -0.175 0.000 2.585 386 F HA 0.337 4.864 4.527 0.000 0.000 0.319 386 F C -2.548 172.979 175.800 -0.456 0.000 1.165 386 F CA -1.858 55.968 58.000 -0.290 0.000 0.949 386 F CB 1.857 40.717 39.000 -0.233 0.000 1.218 386 F HN 0.307 nan 8.300 nan 0.000 0.453 387 P HA 0.176 nan 4.420 nan 0.000 0.288 387 P C 0.349 177.372 177.300 -0.463 0.000 1.267 387 P CA -0.135 62.587 63.100 -0.631 0.000 0.815 387 P CB 1.087 32.330 31.700 -0.761 0.000 0.989 388 F N 2.030 121.926 119.950 -0.090 0.000 2.333 388 F HA -0.104 4.423 4.527 -0.000 0.000 0.300 388 F C 2.596 178.379 175.800 -0.028 0.000 1.083 388 F CA 1.663 59.668 58.000 0.009 0.000 1.395 388 F CB -1.323 37.690 39.000 0.021 0.000 1.056 388 F HN 0.366 nan 8.300 nan 0.000 0.529 389 A N -0.236 122.609 122.820 0.042 0.000 2.076 389 A HA -0.035 4.285 4.320 0.000 0.000 0.220 389 A C 2.251 179.824 177.584 -0.018 0.000 1.160 389 A CA 1.668 53.709 52.037 0.008 0.000 0.653 389 A CB -0.947 18.025 19.000 -0.047 0.000 0.801 389 A HN 0.271 nan 8.150 nan 0.000 0.455 390 A N -0.856 121.881 122.820 -0.139 0.000 2.308 390 A HA 0.154 4.474 4.320 0.000 0.000 0.217 390 A C 0.859 178.571 177.584 0.214 0.000 1.216 390 A CA -0.121 51.864 52.037 -0.086 0.000 0.864 390 A CB -0.254 18.445 19.000 -0.502 0.000 0.902 390 A HN 0.499 nan 8.150 nan 0.000 0.499 391 N N 0.458 119.337 118.700 0.298 0.000 2.444 391 N HA 0.107 4.847 4.740 0.000 0.000 0.271 391 N C 0.522 176.179 175.510 0.245 0.000 1.069 391 N CA 0.221 53.498 53.050 0.378 0.000 0.965 391 N CB 1.113 39.870 38.487 0.451 0.000 1.092 391 N HN 0.093 nan 8.380 nan 0.000 0.476 392 S N 3.701 119.530 115.700 0.215 0.000 2.374 392 S HA -0.177 4.293 4.470 0.000 0.000 0.227 392 S C 1.726 176.369 174.600 0.073 0.000 1.037 392 S CA 1.116 59.401 58.200 0.141 0.000 1.024 392 S CB -0.095 63.196 63.200 0.152 0.000 0.861 392 S HN 0.677 nan 8.310 nan 0.000 0.456 393 R N 0.966 121.501 120.500 0.058 0.000 2.075 393 R HA -0.010 4.330 4.340 0.000 0.000 0.232 393 R C 2.428 178.761 176.300 0.055 0.000 1.126 393 R CA 1.193 57.310 56.100 0.029 0.000 0.963 393 R CB -0.458 29.854 30.300 0.020 0.000 0.858 393 R HN 0.377 nan 8.270 nan 0.000 0.435 394 A N 1.051 123.932 122.820 0.102 0.000 1.902 394 A HA -0.207 4.113 4.320 0.000 0.000 0.217 394 A C 2.035 179.666 177.584 0.079 0.000 1.181 394 A CA 1.767 53.852 52.037 0.080 0.000 0.623 394 A CB -0.397 18.694 19.000 0.151 0.000 0.818 394 A HN 0.238 nan 8.150 nan 0.000 0.443 395 K N -0.387 120.072 120.400 0.097 0.000 2.057 395 K HA -0.064 4.256 4.320 0.000 0.000 0.206 395 K C 1.932 178.565 176.600 0.055 0.000 1.050 395 K CA 2.194 58.528 56.287 0.079 0.000 0.935 395 K CB -0.928 31.625 32.500 0.089 0.000 0.715 395 K HN 0.380 nan 8.250 nan 0.000 0.439 396 T N 1.172 115.754 114.554 0.047 0.000 2.833 396 T HA -0.065 4.285 4.350 0.000 0.000 0.269 396 T C 1.009 175.722 174.700 0.021 0.000 1.054 396 T CA 1.496 63.613 62.100 0.028 0.000 1.135 396 T CB -0.272 68.606 68.868 0.015 0.000 0.869 396 T HN 0.257 nan 8.240 nan 0.000 0.466 397 N N 0.802 119.518 118.700 0.027 0.000 2.398 397 N HA 0.348 5.088 4.740 0.000 0.000 0.188 397 N C 0.873 176.404 175.510 0.035 0.000 1.122 397 N CA 0.583 53.648 53.050 0.026 0.000 0.866 397 N CB 0.017 38.524 38.487 0.034 0.000 0.970 397 N HN 0.389 nan 8.380 nan 0.000 0.462 398 A N 0.775 123.619 122.820 0.040 0.000 2.791 398 A HA -0.199 4.121 4.320 0.000 0.000 0.292 398 A C -0.157 177.465 177.584 0.063 0.000 1.487 398 A CA 0.965 53.030 52.037 0.046 0.000 0.760 398 A CB -1.971 17.049 19.000 0.034 0.000 1.031 398 A HN 0.266 nan 8.150 nan 0.000 0.503 399 D N -0.084 120.354 120.400 0.064 0.000 2.468 399 D HA 0.419 5.059 4.640 0.000 0.000 0.272 399 D C 1.002 177.321 176.300 0.032 0.000 1.221 399 D CA 0.553 54.595 54.000 0.069 0.000 0.860 399 D CB 0.137 40.985 40.800 0.080 0.000 1.190 399 D HN 0.562 nan 8.370 nan 0.000 0.509 400 T N -1.719 112.872 114.554 0.063 0.000 3.134 400 T HA 0.210 4.560 4.350 0.000 0.000 0.260 400 T C 0.464 175.236 174.700 0.119 0.000 1.027 400 T CA -0.532 61.626 62.100 0.098 0.000 0.913 400 T CB 0.224 69.148 68.868 0.094 0.000 1.046 400 T HN -0.049 nan 8.240 nan 0.000 0.553 401 D N 1.969 122.419 120.400 0.084 0.000 2.382 401 D HA 0.493 5.133 4.640 0.000 0.000 0.240 401 D C 1.276 177.684 176.300 0.178 0.000 1.146 401 D CA 1.475 55.537 54.000 0.103 0.000 0.897 401 D CB 0.520 41.371 40.800 0.085 0.000 1.197 401 D HN 0.553 nan 8.370 nan 0.000 0.432 402 G N -0.033 108.867 108.800 0.168 0.000 2.642 402 G HA2 0.031 3.991 3.960 0.000 0.000 0.231 402 G HA3 0.031 3.991 3.960 0.000 0.000 0.231 402 G C -0.350 174.672 174.900 0.204 0.000 1.338 402 G CA 0.236 45.463 45.100 0.212 0.000 0.883 402 G HN 0.815 nan 8.290 nan 0.000 0.570 403 M N -3.494 116.195 119.600 0.149 0.000 2.949 403 M HA 0.739 5.219 4.480 0.000 0.000 0.270 403 M C -1.145 175.086 176.300 -0.115 0.000 1.221 403 M CA -1.196 54.013 55.300 -0.152 0.000 0.818 403 M CB 1.705 34.227 32.600 -0.129 0.000 1.635 403 M HN 0.984 nan 8.290 nan 0.000 0.492 404 V N 1.501 121.291 119.914 -0.207 0.000 2.483 404 V HA 0.626 4.746 4.120 0.000 0.000 0.295 404 V C -0.731 175.378 176.094 0.026 0.000 1.035 404 V CA -0.450 61.836 62.300 -0.024 0.000 0.896 404 V CB 1.799 33.613 31.823 -0.015 0.000 0.986 404 V HN 0.773 nan 8.190 nan 0.000 0.447 405 K N 5.165 125.626 120.400 0.101 0.000 2.502 405 K HA 0.570 4.890 4.320 0.000 0.000 0.254 405 K C -1.547 175.143 176.600 0.150 0.000 0.947 405 K CA -0.606 55.741 56.287 0.100 0.000 0.834 405 K CB 1.216 33.765 32.500 0.082 0.000 1.112 405 K HN 0.478 nan 8.250 nan 0.000 0.427 406 I N 5.842 126.466 120.570 0.090 0.000 2.377 406 I HA 0.339 4.509 4.170 0.000 0.000 0.293 406 I C -0.375 175.802 176.117 0.100 0.000 0.987 406 I CA -0.900 60.448 61.300 0.080 0.000 1.185 406 I CB 1.469 39.453 38.000 -0.026 0.000 1.341 406 I HN 0.600 nan 8.210 nan 0.000 0.455 407 L N 5.543 126.834 121.223 0.113 0.000 2.319 407 L HA 0.673 5.013 4.340 0.000 0.000 0.281 407 L C 0.396 177.323 176.870 0.095 0.000 1.005 407 L CA -0.423 54.480 54.840 0.106 0.000 0.828 407 L CB 1.777 43.837 42.059 0.001 0.000 1.227 407 L HN 0.677 nan 8.230 nan 0.000 0.415 408 G N 1.432 110.306 108.800 0.125 0.000 2.453 408 G HA2 0.349 4.309 3.960 0.000 0.000 0.323 408 G HA3 0.349 4.309 3.960 0.000 0.000 0.323 408 G C -1.154 173.825 174.900 0.132 0.000 1.198 408 G CA -0.394 44.766 45.100 0.100 0.000 0.959 408 G HN 0.387 nan 8.290 nan 0.000 0.482 409 Q N 0.971 120.833 119.800 0.103 0.000 2.274 409 Q HA 0.030 4.370 4.340 0.000 0.000 0.280 409 Q C 1.239 177.288 176.000 0.080 0.000 1.047 409 Q CA -0.258 55.608 55.803 0.105 0.000 0.907 409 Q CB 1.144 29.928 28.738 0.077 0.000 1.171 409 Q HN 0.550 nan 8.270 nan 0.000 0.381 410 K N 2.105 122.551 120.400 0.076 0.000 2.127 410 K HA -0.178 4.142 4.320 0.000 0.000 0.208 410 K C 1.572 178.185 176.600 0.021 0.000 1.047 410 K CA 2.139 58.445 56.287 0.033 0.000 0.927 410 K CB 0.027 32.529 32.500 0.004 0.000 0.716 410 K HN 0.710 nan 8.250 nan 0.000 0.450 411 S N -1.837 113.880 115.700 0.027 0.000 2.499 411 S HA -0.027 4.443 4.470 0.000 0.000 0.225 411 S C 1.802 176.417 174.600 0.024 0.000 1.050 411 S CA 0.749 58.961 58.200 0.020 0.000 0.928 411 S CB 0.050 63.259 63.200 0.017 0.000 0.803 411 S HN 0.328 nan 8.310 nan 0.000 0.506 412 T N -1.986 112.588 114.554 0.033 0.000 3.037 412 T HA 0.193 4.543 4.350 0.000 0.000 0.251 412 T C 0.633 175.355 174.700 0.037 0.000 1.079 412 T CA 0.827 62.947 62.100 0.034 0.000 1.067 412 T CB -0.405 68.485 68.868 0.037 0.000 0.948 412 T HN 0.321 nan 8.240 nan 0.000 0.496 413 D N 0.374 120.799 120.400 0.041 0.000 3.077 413 D HA -0.177 4.463 4.640 0.000 0.000 0.212 413 D C 0.114 176.441 176.300 0.044 0.000 1.125 413 D CA 0.731 54.755 54.000 0.041 0.000 0.970 413 D CB -1.367 39.455 40.800 0.035 0.000 1.110 413 D HN 0.593 nan 8.370 nan 0.000 0.419 414 R N 0.170 120.699 120.500 0.049 0.000 2.484 414 R HA 0.344 4.684 4.340 0.000 0.000 0.293 414 R C -0.514 175.821 176.300 0.058 0.000 1.023 414 R CA -0.106 56.026 56.100 0.054 0.000 1.037 414 R CB 0.582 30.915 30.300 0.055 0.000 0.951 414 R HN 0.007 nan 8.270 nan 0.000 0.418 415 V N 7.898 127.848 119.914 0.059 0.000 2.485 415 V HA -0.009 4.111 4.120 0.000 0.000 0.287 415 V C 1.256 177.390 176.094 0.068 0.000 1.022 415 V CA 0.310 62.648 62.300 0.063 0.000 1.067 415 V CB 0.610 32.477 31.823 0.073 0.000 0.967 415 V HN 0.807 nan 8.190 nan 0.000 0.479 416 L N 3.963 125.224 121.223 0.063 0.000 2.575 416 L HA 0.499 4.839 4.340 0.000 0.000 0.228 416 L C 0.998 177.903 176.870 0.058 0.000 1.075 416 L CA 0.641 55.513 54.840 0.053 0.000 0.867 416 L CB 0.374 42.452 42.059 0.030 0.000 1.097 416 L HN 0.798 nan 8.230 nan 0.000 0.485 417 G N -0.170 108.674 108.800 0.073 0.000 2.667 417 G HA2 0.650 4.610 3.960 0.000 0.000 0.294 417 G HA3 0.650 4.610 3.960 0.000 0.000 0.294 417 G C -2.021 172.912 174.900 0.056 0.000 1.467 417 G CA 0.003 45.145 45.100 0.070 0.000 0.852 417 G HN -0.018 nan 8.290 nan 0.000 0.521 418 A N 1.680 124.427 122.820 -0.122 0.000 2.359 418 A HA 0.867 5.187 4.320 0.000 0.000 0.303 418 A C -1.050 176.375 177.584 -0.264 0.000 1.066 418 A CA -0.705 51.336 52.037 0.008 0.000 0.730 418 A CB 1.226 20.352 19.000 0.210 0.000 1.211 418 A HN 0.767 nan 8.150 nan 0.000 0.439 419 H N 2.222 121.399 119.070 0.178 0.000 2.689 419 H HA 0.503 5.059 4.556 0.000 0.000 0.346 419 H C -1.305 174.113 175.328 0.151 0.000 1.037 419 H CA -0.275 55.876 56.048 0.172 0.000 1.234 419 H CB 1.777 31.575 29.762 0.060 0.000 1.572 419 H HN 0.560 nan 8.280 nan 0.000 0.524 420 I N 3.811 124.527 120.570 0.244 0.000 2.465 420 I HA 0.194 4.364 4.170 0.000 0.000 0.291 420 I C -0.857 175.357 176.117 0.162 0.000 1.014 420 I CA -0.865 60.562 61.300 0.213 0.000 1.093 420 I CB 2.417 40.531 38.000 0.191 0.000 1.267 420 I HN 0.195 nan 8.210 nan 0.000 0.431 421 L N 6.319 127.657 121.223 0.193 0.000 2.406 421 L HA 0.976 5.316 4.340 0.000 0.000 0.270 421 L C -0.222 176.768 176.870 0.201 0.000 0.982 421 L CA 0.365 55.264 54.840 0.099 0.000 0.843 421 L CB 1.197 43.301 42.059 0.075 0.000 1.225 421 L HN 0.836 nan 8.230 nan 0.000 0.412 422 G N 4.225 113.025 108.800 0.001 0.000 2.362 422 G HA2 0.166 4.126 3.960 0.000 0.000 0.288 422 G HA3 0.166 4.126 3.960 0.000 0.000 0.288 422 G C -3.389 171.217 174.900 -0.490 0.000 1.305 422 G CA -0.544 44.426 45.100 -0.217 0.000 0.910 422 G HN 0.497 nan 8.290 nan 0.000 0.518 423 P HA 0.351 nan 4.420 nan 0.000 0.268 423 P C 1.035 178.067 177.300 -0.447 0.000 1.204 423 P CA 1.798 64.563 63.100 -0.558 0.000 0.768 423 P CB 0.932 32.360 31.700 -0.455 0.000 0.842 424 G N 2.609 111.255 108.800 -0.256 0.000 2.166 424 G HA2 -0.337 3.623 3.960 0.000 0.000 0.260 424 G HA3 -0.337 3.623 3.960 0.000 0.000 0.260 424 G C 1.099 175.924 174.900 -0.126 0.000 0.986 424 G CA 0.509 45.519 45.100 -0.151 0.000 0.683 424 G HN 0.718 nan 8.290 nan 0.000 0.527 425 A N 0.061 122.790 122.820 -0.153 0.000 1.908 425 A HA 0.220 4.540 4.320 0.000 0.000 0.218 425 A C 2.890 180.379 177.584 -0.157 0.000 1.181 425 A CA 2.372 54.346 52.037 -0.105 0.000 0.627 425 A CB -1.094 17.841 19.000 -0.108 0.000 0.818 425 A HN 1.674 nan 8.150 nan 0.000 0.445 426 G N -0.374 108.297 108.800 -0.214 0.000 2.491 426 G HA2 -0.269 3.691 3.960 0.000 0.000 0.218 426 G HA3 -0.269 3.691 3.960 0.000 0.000 0.218 426 G C 1.415 176.221 174.900 -0.156 0.000 1.180 426 G CA 1.184 46.135 45.100 -0.248 0.000 0.774 426 G HN 0.514 nan 8.290 nan 0.000 0.562 427 E N -0.161 119.977 120.200 -0.103 0.000 2.072 427 E HA -0.024 4.326 4.350 0.000 0.000 0.190 427 E C 2.399 178.925 176.600 -0.122 0.000 0.982 427 E CA 0.496 56.844 56.400 -0.087 0.000 0.803 427 E CB -0.481 29.188 29.700 -0.051 0.000 0.755 427 E HN 0.503 nan 8.360 nan 0.000 0.453 428 M N 0.725 120.251 119.600 -0.123 0.000 2.149 428 M HA -0.139 4.341 4.480 0.000 0.000 0.261 428 M C 2.201 178.336 176.300 -0.274 0.000 1.064 428 M CA 1.046 56.242 55.300 -0.172 0.000 1.102 428 M CB -0.017 32.529 32.600 -0.090 0.000 1.369 428 M HN -0.038 nan 8.290 nan 0.000 0.408 429 V N 1.321 121.104 119.914 -0.218 0.000 3.026 429 V HA -0.238 3.882 4.120 0.000 0.000 0.265 429 V C 1.620 177.577 176.094 -0.228 0.000 1.121 429 V CA 1.669 63.831 62.300 -0.230 0.000 1.142 429 V CB -0.868 30.831 31.823 -0.207 0.000 0.730 429 V HN 0.563 nan 8.190 nan 0.000 0.503 430 N N -0.088 118.487 118.700 -0.208 0.000 2.354 430 N HA -0.134 4.606 4.740 0.000 0.000 0.179 430 N C 1.769 177.184 175.510 -0.157 0.000 1.021 430 N CA 1.250 54.201 53.050 -0.165 0.000 0.887 430 N CB -0.042 38.364 38.487 -0.135 0.000 0.974 430 N HN 0.679 nan 8.380 nan 0.000 0.437 431 E N 1.292 121.356 120.200 -0.227 0.000 2.077 431 E HA -0.100 4.250 4.350 0.000 0.000 0.193 431 E C 1.834 178.313 176.600 -0.202 0.000 0.989 431 E CA 0.913 57.181 56.400 -0.219 0.000 0.800 431 E CB 0.071 29.577 29.700 -0.323 0.000 0.746 431 E HN 0.265 nan 8.360 nan 0.000 0.452 432 A N 1.361 123.969 122.820 -0.352 0.000 1.877 432 A HA -0.115 4.205 4.320 0.000 0.000 0.216 432 A C 2.435 180.022 177.584 0.004 0.000 1.186 432 A CA 1.897 53.866 52.037 -0.114 0.000 0.620 432 A CB -0.879 18.043 19.000 -0.129 0.000 0.822 432 A HN 0.416 nan 8.150 nan 0.000 0.443 433 A N -0.519 122.269 122.820 -0.053 0.000 1.940 433 A HA -0.066 4.254 4.320 0.000 0.000 0.219 433 A C 2.144 179.743 177.584 0.024 0.000 1.176 433 A CA 1.822 53.846 52.037 -0.022 0.000 0.631 433 A CB -0.631 18.331 19.000 -0.063 0.000 0.814 433 A HN 0.781 nan 8.150 nan 0.000 0.446 434 L N -0.227 121.014 121.223 0.030 0.000 2.017 434 L HA -0.053 4.287 4.340 0.000 0.000 0.208 434 L C 2.635 179.623 176.870 0.197 0.000 1.073 434 L CA 2.318 57.222 54.840 0.107 0.000 0.745 434 L CB -0.918 41.193 42.059 0.087 0.000 0.894 434 L HN 0.327 nan 8.230 nan 0.000 0.432 435 A N -0.351 122.565 122.820 0.160 0.000 1.883 435 A HA -0.178 4.142 4.320 0.000 0.000 0.217 435 A C 2.295 179.990 177.584 0.184 0.000 1.186 435 A CA 2.057 54.209 52.037 0.192 0.000 0.624 435 A CB -0.973 18.160 19.000 0.222 0.000 0.822 435 A HN 0.519 nan 8.150 nan 0.000 0.444 436 L N -1.112 120.194 121.223 0.138 0.000 2.046 436 L HA -0.211 4.129 4.340 0.000 0.000 0.208 436 L C 2.658 179.584 176.870 0.092 0.000 1.077 436 L CA 1.850 56.754 54.840 0.106 0.000 0.747 436 L CB -0.556 41.549 42.059 0.076 0.000 0.896 436 L HN 0.419 nan 8.230 nan 0.000 0.432 437 E N -0.338 119.906 120.200 0.073 0.000 2.209 437 E HA -0.230 4.120 4.350 0.000 0.000 0.196 437 E C 1.561 178.133 176.600 -0.047 0.000 0.993 437 E CA 1.360 57.760 56.400 -0.001 0.000 0.819 437 E CB -0.103 29.571 29.700 -0.044 0.000 0.745 437 E HN 0.436 nan 8.360 nan 0.000 0.477 438 Y N -0.898 119.418 120.300 0.026 0.000 2.466 438 Y HA 0.234 4.784 4.550 -0.000 0.000 0.272 438 Y C 1.325 177.241 175.900 0.027 0.000 1.169 438 Y CA 0.509 58.623 58.100 0.023 0.000 1.285 438 Y CB 0.607 39.081 38.460 0.024 0.000 1.078 438 Y HN 0.128 nan 8.280 nan 0.000 0.523 439 G N 0.775 109.665 108.800 0.150 0.000 2.273 439 G HA2 -0.236 3.724 3.960 0.000 0.000 0.280 439 G HA3 -0.236 3.724 3.960 0.000 0.000 0.280 439 G C 0.427 175.396 174.900 0.114 0.000 1.047 439 G CA 0.058 45.224 45.100 0.109 0.000 0.869 439 G HN 0.639 nan 8.290 nan 0.000 0.502 440 A N -0.249 122.651 122.820 0.132 0.000 2.466 440 A HA 0.690 5.010 4.320 0.000 0.000 0.238 440 A C 1.085 178.713 177.584 0.073 0.000 1.074 440 A CA 0.925 53.023 52.037 0.100 0.000 0.774 440 A CB 0.355 19.419 19.000 0.107 0.000 1.015 440 A HN 2.071 nan 8.150 nan 0.000 0.498 441 S N -0.133 115.598 115.700 0.053 0.000 2.651 441 S HA 0.317 4.787 4.470 0.000 0.000 0.291 441 S C 0.986 175.599 174.600 0.021 0.000 1.141 441 S CA -0.204 58.020 58.200 0.039 0.000 1.027 441 S CB 0.834 64.055 63.200 0.034 0.000 1.043 441 S HN 0.726 nan 8.310 nan 0.000 0.530 442 C N 0.883 120.189 119.300 0.009 0.000 2.413 442 C HA -0.074 4.386 4.460 0.000 0.000 0.277 442 C C 2.680 177.651 174.990 -0.031 0.000 1.265 442 C CA 1.240 60.241 59.018 -0.029 0.000 1.752 442 C CB -1.552 26.175 27.740 -0.020 0.000 1.998 442 C HN 1.088 nan 8.230 nan 0.000 0.489 443 E N 0.910 121.109 120.200 -0.002 0.000 2.077 443 E HA -0.223 4.127 4.350 0.000 0.000 0.193 443 E C 1.562 178.158 176.600 -0.006 0.000 0.989 443 E CA 1.349 57.749 56.400 -0.001 0.000 0.800 443 E CB -0.149 29.562 29.700 0.018 0.000 0.746 443 E HN 0.564 nan 8.360 nan 0.000 0.452 444 D N 0.597 121.000 120.400 0.004 0.000 2.106 444 D HA -0.206 4.434 4.640 0.000 0.000 0.191 444 D C 2.092 178.401 176.300 0.016 0.000 0.997 444 D CA 1.327 55.331 54.000 0.007 0.000 0.834 444 D CB -0.302 40.507 40.800 0.015 0.000 0.956 444 D HN 0.331 nan 8.370 nan 0.000 0.448 445 I N 1.237 121.818 120.570 0.020 0.000 2.226 445 I HA -0.247 3.923 4.170 0.000 0.000 0.245 445 I C 2.545 178.676 176.117 0.024 0.000 1.100 445 I CA 0.977 62.310 61.300 0.056 0.000 1.374 445 I CB -0.285 37.708 38.000 -0.013 0.000 1.057 445 I HN -0.084 nan 8.210 nan 0.000 0.413 446 A N 0.769 123.555 122.820 -0.058 0.000 2.024 446 A HA -0.173 4.147 4.320 0.000 0.000 0.220 446 A C 2.295 179.853 177.584 -0.043 0.000 1.164 446 A CA 1.389 53.371 52.037 -0.091 0.000 0.643 446 A CB -0.509 18.434 19.000 -0.094 0.000 0.806 446 A HN 0.372 nan 8.150 nan 0.000 0.451 447 R N -0.783 119.710 120.500 -0.010 0.000 2.310 447 R HA 0.153 4.493 4.340 0.000 0.000 0.202 447 R C -0.367 175.948 176.300 0.026 0.000 0.933 447 R CA -0.086 56.011 56.100 -0.005 0.000 1.054 447 R CB 0.050 30.342 30.300 -0.014 0.000 0.985 447 R HN 0.320 nan 8.270 nan 0.000 0.489 448 V N 1.152 121.114 119.914 0.079 0.000 2.530 448 V HA -0.002 4.118 4.120 0.000 0.000 0.282 448 V C 0.463 176.663 176.094 0.176 0.000 1.048 448 V CA -0.808 61.548 62.300 0.095 0.000 0.997 448 V CB 1.486 33.368 31.823 0.099 0.000 0.987 448 V HN 0.275 nan 8.190 nan 0.000 0.477 449 C N 7.091 126.437 119.300 0.078 0.000 2.492 449 C HA 0.339 4.799 4.460 0.000 0.000 0.362 449 C C 0.450 175.502 174.990 0.102 0.000 1.207 449 C CA -0.486 58.586 59.018 0.090 0.000 1.626 449 C CB -1.975 25.783 27.740 0.030 0.000 2.239 449 C HN 0.885 nan 8.230 nan 0.000 0.547 450 H N 3.453 122.532 119.070 0.014 0.000 2.525 450 H HA 0.507 5.063 4.556 0.000 0.000 0.339 450 H C 0.676 176.031 175.328 0.046 0.000 1.109 450 H CA 0.628 56.696 56.048 0.033 0.000 1.352 450 H CB 1.087 30.875 29.762 0.043 0.000 1.461 450 H HN 0.870 nan 8.280 nan 0.000 0.533 451 A N 2.263 125.164 122.820 0.135 0.000 2.498 451 A HA 0.175 4.495 4.320 0.000 0.000 0.239 451 A C -0.387 177.286 177.584 0.149 0.000 1.068 451 A CA 0.169 52.271 52.037 0.108 0.000 0.766 451 A CB -0.326 18.707 19.000 0.056 0.000 1.003 451 A HN 0.874 nan 8.150 nan 0.000 0.497 452 H N 2.454 121.552 119.070 0.047 0.000 2.547 452 H HA 0.631 5.187 4.556 -0.000 0.000 0.342 452 H C -2.457 172.894 175.328 0.038 0.000 1.048 452 H CA -1.563 54.511 56.048 0.043 0.000 1.204 452 H CB 1.398 31.180 29.762 0.033 0.000 1.493 452 H HN 0.564 nan 8.280 nan 0.000 0.511 453 P HA 0.291 nan 4.420 nan 0.000 0.301 453 P C -1.311 175.903 177.300 -0.145 0.000 1.338 453 P CA -0.599 62.182 63.100 -0.532 0.000 0.834 453 P CB 1.677 33.033 31.700 -0.573 0.000 0.967 454 T N -0.937 113.601 114.554 -0.027 0.000 2.900 454 T HA 0.350 4.700 4.350 0.000 0.000 0.303 454 T C 1.196 175.958 174.700 0.102 0.000 1.142 454 T CA -0.921 61.204 62.100 0.042 0.000 1.007 454 T CB 0.994 69.904 68.868 0.071 0.000 1.156 454 T HN 0.115 nan 8.240 nan 0.000 0.490 455 L N 1.553 122.847 121.223 0.119 0.000 2.127 455 L HA -0.087 4.253 4.340 0.000 0.000 0.211 455 L C 3.101 180.134 176.870 0.272 0.000 1.089 455 L CA 1.731 56.703 54.840 0.221 0.000 0.757 455 L CB -0.712 41.422 42.059 0.124 0.000 0.899 455 L HN 0.971 nan 8.230 nan 0.000 0.434 456 S N -0.208 115.611 115.700 0.199 0.000 2.440 456 S HA -0.235 4.235 4.470 0.000 0.000 0.238 456 S C 1.624 176.340 174.600 0.193 0.000 1.010 456 S CA 1.395 59.742 58.200 0.245 0.000 0.972 456 S CB -0.381 62.984 63.200 0.276 0.000 0.774 456 S HN 0.529 nan 8.310 nan 0.000 0.501 457 E N 1.292 121.550 120.200 0.096 0.000 2.204 457 E HA -0.044 4.306 4.350 0.000 0.000 0.195 457 E C 2.387 178.819 176.600 -0.280 0.000 0.990 457 E CA 0.916 57.257 56.400 -0.098 0.000 0.821 457 E CB -0.423 29.266 29.700 -0.020 0.000 0.750 457 E HN 0.785 nan 8.360 nan 0.000 0.477 458 A N 1.047 123.776 122.820 -0.152 0.000 1.902 458 A HA -0.187 4.133 4.320 0.000 0.000 0.217 458 A C 1.943 179.380 177.584 -0.245 0.000 1.181 458 A CA 1.012 52.857 52.037 -0.321 0.000 0.623 458 A CB -0.632 18.215 19.000 -0.254 0.000 0.818 458 A HN 0.346 nan 8.150 nan 0.000 0.443 459 F N 0.591 120.427 119.950 -0.190 0.000 2.134 459 F HA -0.126 4.401 4.527 -0.000 0.000 0.299 459 F C 2.339 178.008 175.800 -0.219 0.000 1.097 459 F CA 1.942 59.866 58.000 -0.128 0.000 1.264 459 F CB -0.270 38.721 39.000 -0.015 0.000 1.001 459 F HN 0.210 nan 8.300 nan 0.000 0.479 460 R N 0.402 120.665 120.500 -0.396 0.000 2.081 460 R HA -0.147 4.193 4.340 0.000 0.000 0.235 460 R C 2.147 178.162 176.300 -0.474 0.000 1.131 460 R CA 1.801 57.543 56.100 -0.597 0.000 0.960 460 R CB -0.400 29.369 30.300 -0.885 0.000 0.856 460 R HN 0.318 nan 8.270 nan 0.000 0.436 461 E N 0.092 119.976 120.200 -0.527 0.000 2.106 461 E HA -0.143 4.207 4.350 0.000 0.000 0.192 461 E C 1.864 178.308 176.600 -0.259 0.000 0.984 461 E CA 1.080 57.175 56.400 -0.507 0.000 0.806 461 E CB -0.049 28.953 29.700 -1.164 0.000 0.750 461 E HN 0.462 nan 8.360 nan 0.000 0.458 462 A N 1.897 124.569 122.820 -0.246 0.000 1.930 462 A HA -0.168 4.152 4.320 0.000 0.000 0.217 462 A C 1.953 179.453 177.584 -0.140 0.000 1.175 462 A CA 1.142 53.124 52.037 -0.091 0.000 0.627 462 A CB -0.394 18.553 19.000 -0.088 0.000 0.815 462 A HN 0.153 nan 8.150 nan 0.000 0.443 463 N N -0.345 118.183 118.700 -0.288 0.000 2.188 463 N HA -0.127 4.613 4.740 0.000 0.000 0.184 463 N C 1.670 177.106 175.510 -0.123 0.000 1.018 463 N CA 1.468 54.368 53.050 -0.249 0.000 0.858 463 N CB -0.287 37.966 38.487 -0.389 0.000 0.989 463 N HN 0.412 nan 8.380 nan 0.000 0.426 464 L N 1.527 122.675 121.223 -0.126 0.000 2.046 464 L HA -0.026 4.314 4.340 0.000 0.000 0.208 464 L C 2.229 179.137 176.870 0.064 0.000 1.077 464 L CA 1.502 56.316 54.840 -0.043 0.000 0.747 464 L CB -0.932 41.073 42.059 -0.090 0.000 0.896 464 L HN 0.056 nan 8.230 nan 0.000 0.432 465 A N -0.421 122.438 122.820 0.065 0.000 1.908 465 A HA -0.131 4.189 4.320 0.000 0.000 0.218 465 A C 2.446 180.082 177.584 0.086 0.000 1.181 465 A CA 1.972 54.081 52.037 0.120 0.000 0.627 465 A CB -1.214 17.873 19.000 0.145 0.000 0.818 465 A HN 0.577 nan 8.150 nan 0.000 0.445 466 A N -1.159 121.691 122.820 0.049 0.000 1.930 466 A HA -0.052 4.268 4.320 0.000 0.000 0.217 466 A C 2.467 180.078 177.584 0.044 0.000 1.175 466 A CA 2.148 54.209 52.037 0.041 0.000 0.627 466 A CB -0.763 18.253 19.000 0.026 0.000 0.815 466 A HN 0.542 nan 8.150 nan 0.000 0.443 467 S N -1.956 113.777 115.700 0.055 0.000 2.348 467 S HA -0.037 4.433 4.470 0.000 0.000 0.219 467 S C 1.633 176.309 174.600 0.126 0.000 1.033 467 S CA 1.350 59.594 58.200 0.073 0.000 0.974 467 S CB -0.360 62.877 63.200 0.062 0.000 0.868 467 S HN 0.573 nan 8.310 nan 0.000 0.459 468 F N 0.807 120.747 119.950 -0.016 0.000 2.619 468 F HA 0.355 4.882 4.527 0.000 0.000 0.293 468 F C 1.543 177.339 175.800 -0.007 0.000 1.119 468 F CA 1.132 59.125 58.000 -0.012 0.000 1.445 468 F CB 0.320 39.311 39.000 -0.015 0.000 1.119 468 F HN 0.414 nan 8.300 nan 0.000 0.573 469 G N 0.874 109.688 108.800 0.024 0.000 2.284 469 G HA2 -0.213 3.747 3.960 0.000 0.000 0.216 469 G HA3 -0.213 3.747 3.960 0.000 0.000 0.216 469 G C 0.215 175.139 174.900 0.039 0.000 1.009 469 G CA 0.080 45.142 45.100 -0.063 0.000 0.625 469 G HN 0.405 nan 8.290 nan 0.000 0.501 470 K N 0.469 120.997 120.400 0.214 0.000 2.502 470 K HA 0.637 4.957 4.320 0.000 0.000 0.257 470 K C 0.005 176.770 176.600 0.276 0.000 0.938 470 K CA -0.176 56.253 56.287 0.237 0.000 0.819 470 K CB 2.254 34.894 32.500 0.234 0.000 1.333 470 K HN 0.406 nan 8.250 nan 0.000 0.434 471 S N 1.088 116.920 115.700 0.221 0.000 2.719 471 S HA 0.402 4.872 4.470 0.000 0.000 0.285 471 S C 1.018 175.715 174.600 0.161 0.000 1.137 471 S CA -0.807 57.508 58.200 0.192 0.000 1.012 471 S CB 0.560 63.969 63.200 0.349 0.000 1.134 471 S HN 0.471 nan 8.310 nan 0.000 0.544 472 I N 0.838 121.478 120.570 0.116 0.000 2.429 472 I HA 0.037 4.207 4.170 0.000 0.000 0.247 472 I C 1.249 177.466 176.117 0.167 0.000 1.099 472 I CA 0.808 62.160 61.300 0.086 0.000 1.422 472 I CB -1.243 36.763 38.000 0.009 0.000 1.112 472 I HN 0.636 nan 8.210 nan 0.000 0.430 473 N N -0.097 118.791 118.700 0.313 0.000 2.268 473 N HA 0.099 4.839 4.740 0.000 0.000 0.204 473 N C -0.266 175.503 175.510 0.431 0.000 1.124 473 N CA 0.159 53.440 53.050 0.385 0.000 0.838 473 N CB 0.888 39.655 38.487 0.466 0.000 0.994 473 N HN 0.145 nan 8.380 nan 0.000 0.489 474 F N 0.000 120.047 119.950 0.161 0.000 2.286 474 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 474 F CA 0.000 57.968 58.000 -0.054 0.000 1.383 474 F CB 0.000 38.769 39.000 -0.385 0.000 1.145 474 F HN 0.000 nan 8.300 nan 0.000 0.574