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 1zp0_1_A DATA FIRST_RESID 10 DATA SEQUENCE STQYPVVDHE FDAVVVGAGG AGLRAAFGLS EAGFNTACVT KLFPTRSHTV DATA SEQUENCE AAQGGINAAL GNMEEDNWRW HFYDTVKGSD WLGDQDAIHY MTEQAPASVV DATA SEQUENCE ELENYGMPFS RTEDGKIYQR AFGGQSLKFG KGGQAHRCCC VADRTGHSLL DATA SEQUENCE HTLYGRSLRY DTSYFVEYFA LDLLMENGEC RGVIALCIED GSIHRIRARN DATA SEQUENCE TVVATGGYGR TYFSCTSAHT STGDGTAMVT RAGLPCQDLE FVQFHPTGIY DATA SEQUENCE GAGCLITEGC RGEGGILINS QGERFMERYA PVAKDLASRD VVSRSMTLEI DATA SEQUENCE REGRGCGPEK DHVYLQLHHL PPEQLAVRLP GISETAMIFA GVDVTKEPIP DATA SEQUENCE VLPTVHYNMG GIPTNYKGQV LRHVNGQDQV VPGLYACGEA ACASVHGANR DATA SEQUENCE LGANSLLDLV VFGRACALSI AESCRPGDKV PSIKPNAGEE SVMNLDKLRF DATA SEQUENCE ANGTIRTSEL RLSMQKSMQS HAAVFRVGSV LQEGCEKILR LYGDLQHLKT DATA SEQUENCE FDRGMVWNTD LVETLELQNL MLCALQTIYG AEARKESRGA HAREDFKERV DATA SEQUENCE DEYDYSKPIQ GQQKKPFQEH WRKHTLSYVD VKTGKVSLEY RPVIDKTLNE DATA SEQUENCE ADCATVPPAI RSY 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 10 S HA 0.000 nan 4.470 nan 0.000 0.327 10 S C 0.000 174.699 174.600 0.166 0.000 1.055 10 S CA 0.000 58.301 58.200 0.169 0.000 1.107 10 S CB 0.000 63.240 63.200 0.067 0.000 0.593 11 T N 0.610 115.254 114.554 0.150 0.000 4.526 11 T HA -0.262 4.088 4.350 0.000 0.000 0.332 11 T C 0.895 175.644 174.700 0.081 0.000 0.846 11 T CA 2.219 64.378 62.100 0.099 0.000 1.955 11 T CB -0.942 67.956 68.868 0.050 0.000 2.056 11 T HN 0.667 nan 8.240 nan 0.000 0.866 12 Q N -0.402 119.470 119.800 0.121 0.000 2.378 12 Q HA 0.175 4.515 4.340 0.000 0.000 0.216 12 Q C -0.258 175.636 176.000 -0.177 0.000 0.892 12 Q CA 0.602 56.368 55.803 -0.061 0.000 0.931 12 Q CB 0.508 29.166 28.738 -0.133 0.000 1.086 12 Q HN 0.669 nan 8.270 nan 0.000 0.528 13 Y N 1.329 121.644 120.300 0.026 0.000 2.478 13 Y HA 0.525 5.075 4.550 -0.000 0.000 0.329 13 Y C -2.153 173.750 175.900 0.006 0.000 0.967 13 Y CA -3.287 54.827 58.100 0.024 0.000 1.255 13 Y CB 0.927 39.406 38.460 0.031 0.000 1.103 13 Y HN 0.060 nan 8.280 nan 0.000 0.497 14 P HA 0.093 nan 4.420 nan 0.000 0.268 14 P C -0.690 176.623 177.300 0.023 0.000 1.205 14 P CA -0.302 62.826 63.100 0.047 0.000 0.771 14 P CB 0.815 32.525 31.700 0.017 0.000 0.858 15 V N 1.378 121.289 119.914 -0.005 0.000 2.483 15 V HA 0.574 4.694 4.120 0.000 0.000 0.295 15 V C -0.420 175.611 176.094 -0.104 0.000 1.035 15 V CA -0.756 61.517 62.300 -0.046 0.000 0.896 15 V CB 1.860 33.678 31.823 -0.008 0.000 0.986 15 V HN 0.161 nan 8.190 nan 0.000 0.447 16 V N 3.922 123.711 119.914 -0.210 0.000 2.398 16 V HA 0.469 4.589 4.120 0.000 0.000 0.286 16 V C -0.371 175.601 176.094 -0.203 0.000 1.026 16 V CA -0.316 61.837 62.300 -0.245 0.000 0.868 16 V CB 1.410 33.008 31.823 -0.375 0.000 0.982 16 V HN 0.967 nan 8.190 nan 0.000 0.443 17 D N 3.428 123.714 120.400 -0.190 0.000 2.329 17 D HA 0.371 5.011 4.640 0.000 0.000 0.232 17 D C -0.462 175.745 176.300 -0.157 0.000 1.088 17 D CA -0.273 53.663 54.000 -0.107 0.000 0.835 17 D CB 0.965 41.745 40.800 -0.034 0.000 1.078 17 D HN 0.542 nan 8.370 nan 0.000 0.495 18 H N 1.019 120.211 119.070 0.204 0.000 2.525 18 H HA 0.392 4.948 4.556 0.000 0.000 0.340 18 H C -0.360 175.080 175.328 0.187 0.000 1.168 18 H CA -0.390 55.813 56.048 0.259 0.000 1.247 18 H CB 2.276 32.377 29.762 0.564 0.000 1.568 18 H HN 0.413 nan 8.280 nan 0.000 0.536 19 E N 1.936 122.213 120.200 0.128 0.000 2.265 19 E HA 0.370 4.720 4.350 0.000 0.000 0.262 19 E C -1.551 174.938 176.600 -0.185 0.000 0.889 19 E CA -0.304 56.130 56.400 0.055 0.000 0.789 19 E CB 0.995 30.690 29.700 -0.008 0.000 1.221 19 E HN 0.260 nan 8.360 nan 0.000 0.414 20 F N 1.368 121.357 119.950 0.065 0.000 2.764 20 F HA 0.354 4.881 4.527 -0.000 0.000 0.347 20 F C 0.979 176.810 175.800 0.052 0.000 1.151 20 F CA -0.750 57.282 58.000 0.054 0.000 1.021 20 F CB 0.989 40.008 39.000 0.032 0.000 1.438 20 F HN 0.368 nan 8.300 nan 0.000 0.516 21 D N -0.024 120.557 120.400 0.300 0.000 2.201 21 D HA 0.334 4.974 4.640 0.000 0.000 0.209 21 D C -0.002 176.396 176.300 0.164 0.000 0.961 21 D CA 1.026 55.170 54.000 0.240 0.000 0.861 21 D CB 0.350 41.362 40.800 0.353 0.000 0.997 21 D HN 0.431 nan 8.370 nan 0.000 0.486 22 A N -0.165 122.722 122.820 0.112 0.000 2.572 22 A HA 0.625 4.945 4.320 0.000 0.000 0.295 22 A C -1.280 176.233 177.584 -0.118 0.000 1.072 22 A CA -0.574 51.435 52.037 -0.045 0.000 0.691 22 A CB 1.725 20.619 19.000 -0.175 0.000 1.291 22 A HN -0.119 nan 8.150 nan 0.000 0.404 23 V N 0.656 120.472 119.914 -0.164 0.000 2.656 23 V HA 0.670 4.790 4.120 0.000 0.000 0.307 23 V C -0.616 175.350 176.094 -0.214 0.000 1.051 23 V CA -0.701 61.452 62.300 -0.246 0.000 0.893 23 V CB 1.634 33.314 31.823 -0.238 0.000 0.999 23 V HN 0.706 nan 8.190 nan 0.000 0.426 24 V N 4.374 124.148 119.914 -0.234 0.000 2.407 24 V HA 0.395 4.515 4.120 0.000 0.000 0.291 24 V C -0.254 175.741 176.094 -0.164 0.000 1.018 24 V CA -0.589 61.603 62.300 -0.180 0.000 0.842 24 V CB 1.963 33.685 31.823 -0.168 0.000 0.996 24 V HN 0.662 nan 8.190 nan 0.000 0.426 25 V N 4.238 124.069 119.914 -0.138 0.000 2.334 25 V HA 0.867 4.987 4.120 0.000 0.000 0.267 25 V C 0.673 176.705 176.094 -0.103 0.000 1.040 25 V CA 0.329 62.549 62.300 -0.133 0.000 0.866 25 V CB 0.425 32.166 31.823 -0.137 0.000 1.019 25 V HN 1.257 nan 8.190 nan 0.000 0.468 26 G N 3.902 112.651 108.800 -0.085 0.000 2.931 26 G HA2 0.387 4.347 3.960 0.000 0.000 0.675 26 G HA3 0.387 4.347 3.960 0.000 0.000 0.675 26 G C -0.362 174.519 174.900 -0.032 0.000 1.339 26 G CA -0.289 44.775 45.100 -0.060 0.000 0.866 26 G HN 1.329 nan 8.290 nan 0.000 0.616 27 A N 1.246 124.052 122.820 -0.023 0.000 2.911 27 A HA 0.805 5.125 4.320 0.000 0.000 0.304 27 A C 1.219 178.783 177.584 -0.033 0.000 1.144 27 A CA 1.062 53.093 52.037 -0.010 0.000 0.988 27 A CB -0.150 18.834 19.000 -0.027 0.000 1.141 27 A HN 2.058 nan 8.150 nan 0.000 0.552 28 G N -0.727 108.063 108.800 -0.017 0.000 2.543 28 G HA2 0.430 4.390 3.960 0.000 0.000 0.267 28 G HA3 0.430 4.390 3.960 0.000 0.000 0.267 28 G C 1.124 176.032 174.900 0.014 0.000 1.406 28 G CA 0.170 45.266 45.100 -0.007 0.000 1.048 28 G HN 0.514 nan 8.290 nan 0.000 0.548 29 G N -0.072 108.748 108.800 0.033 0.000 2.459 29 G HA2 0.020 3.980 3.960 0.000 0.000 0.217 29 G HA3 0.020 3.980 3.960 0.000 0.000 0.217 29 G C 2.003 176.932 174.900 0.047 0.000 1.183 29 G CA 2.115 47.249 45.100 0.057 0.000 0.776 29 G HN 0.923 nan 8.290 nan 0.000 0.552 30 A N 0.946 123.793 122.820 0.045 0.000 1.841 30 A HA 0.113 4.433 4.320 0.000 0.000 0.216 30 A C 2.786 180.359 177.584 -0.018 0.000 1.199 30 A CA 2.435 54.490 52.037 0.030 0.000 0.621 30 A CB -1.404 17.623 19.000 0.044 0.000 0.835 30 A HN 0.666 nan 8.150 nan 0.000 0.445 31 G N -0.406 108.383 108.800 -0.019 0.000 2.491 31 G HA2 -0.204 3.756 3.960 0.000 0.000 0.218 31 G HA3 -0.204 3.756 3.960 0.000 0.000 0.218 31 G C 1.453 176.329 174.900 -0.040 0.000 1.180 31 G CA 1.358 46.435 45.100 -0.040 0.000 0.774 31 G HN 0.343 nan 8.290 nan 0.000 0.562 32 L N 0.525 121.753 121.223 0.008 0.000 1.990 32 L HA -0.054 4.286 4.340 0.000 0.000 0.213 32 L C 2.833 179.652 176.870 -0.086 0.000 1.072 32 L CA 2.041 56.922 54.840 0.069 0.000 0.755 32 L CB -0.804 41.331 42.059 0.127 0.000 0.889 32 L HN 0.220 nan 8.230 nan 0.000 0.432 33 R N -0.409 119.981 120.500 -0.183 0.000 2.096 33 R HA -0.097 4.243 4.340 0.000 0.000 0.235 33 R C 2.105 178.033 176.300 -0.620 0.000 1.127 33 R CA 1.594 57.371 56.100 -0.538 0.000 0.968 33 R CB -0.672 29.500 30.300 -0.213 0.000 0.861 33 R HN 0.399 nan 8.270 nan 0.000 0.440 34 A N 0.049 122.673 122.820 -0.327 0.000 1.898 34 A HA 0.028 4.348 4.320 0.000 0.000 0.216 34 A C 2.338 179.734 177.584 -0.313 0.000 1.181 34 A CA 1.601 53.465 52.037 -0.288 0.000 0.620 34 A CB -1.062 17.824 19.000 -0.190 0.000 0.819 34 A HN 0.463 nan 8.150 nan 0.000 0.442 35 A N 0.221 122.897 122.820 -0.240 0.000 1.828 35 A HA -0.018 4.302 4.320 0.000 0.000 0.215 35 A C 2.000 179.493 177.584 -0.151 0.000 1.203 35 A CA 1.851 53.788 52.037 -0.167 0.000 0.614 35 A CB -1.136 17.843 19.000 -0.036 0.000 0.844 35 A HN 1.139 nan 8.150 nan 0.000 0.445 36 F N 0.821 120.704 119.950 -0.112 0.000 2.365 36 F HA 0.157 4.684 4.527 0.000 0.000 0.300 36 F C 1.891 177.447 175.800 -0.408 0.000 1.090 36 F CA 0.680 58.512 58.000 -0.279 0.000 1.408 36 F CB -1.208 37.658 39.000 -0.224 0.000 1.060 36 F HN 0.099 nan 8.300 nan 0.000 0.534 37 G N 1.297 109.750 108.800 -0.578 0.000 2.421 37 G HA2 -0.102 3.858 3.960 0.000 0.000 0.217 37 G HA3 -0.102 3.858 3.960 0.000 0.000 0.217 37 G C 1.725 176.496 174.900 -0.216 0.000 1.143 37 G CA 0.840 45.711 45.100 -0.381 0.000 0.784 37 G HN 0.477 nan 8.290 nan 0.000 0.541 38 L N 0.576 121.660 121.223 -0.231 0.000 2.109 38 L HA -0.007 4.333 4.340 0.000 0.000 0.207 38 L C 3.104 179.982 176.870 0.013 0.000 1.086 38 L CA 0.905 55.639 54.840 -0.176 0.000 0.760 38 L CB -0.122 41.783 42.059 -0.256 0.000 0.910 38 L HN 0.164 nan 8.230 nan 0.000 0.437 39 S N -0.670 115.002 115.700 -0.047 0.000 2.387 39 S HA -0.204 4.266 4.470 0.000 0.000 0.226 39 S C 1.812 176.426 174.600 0.023 0.000 1.026 39 S CA 1.015 59.232 58.200 0.028 0.000 0.972 39 S CB -0.120 63.090 63.200 0.015 0.000 0.814 39 S HN 0.403 nan 8.310 nan 0.000 0.477 40 E N 1.290 121.355 120.200 -0.225 0.000 2.209 40 E HA -0.148 4.202 4.350 0.000 0.000 0.196 40 E C 1.731 178.404 176.600 0.121 0.000 0.993 40 E CA 1.009 57.374 56.400 -0.058 0.000 0.819 40 E CB -0.150 29.480 29.700 -0.116 0.000 0.745 40 E HN 0.507 nan 8.360 nan 0.000 0.477 41 A N -0.229 122.665 122.820 0.123 0.000 2.169 41 A HA 0.240 4.560 4.320 0.000 0.000 0.212 41 A C 1.664 179.365 177.584 0.195 0.000 1.153 41 A CA 0.920 53.077 52.037 0.200 0.000 0.756 41 A CB -0.080 19.086 19.000 0.277 0.000 0.813 41 A HN 0.463 nan 8.150 nan 0.000 0.471 42 G N -2.266 106.636 108.800 0.170 0.000 2.138 42 G HA2 -0.169 3.791 3.960 0.000 0.000 0.193 42 G HA3 -0.169 3.791 3.960 0.000 0.000 0.193 42 G C -0.187 174.664 174.900 -0.083 0.000 0.998 42 G CA -0.137 44.979 45.100 0.025 0.000 0.668 42 G HN 0.254 nan 8.290 nan 0.000 0.516 43 F N 0.845 120.800 119.950 0.010 0.000 2.425 43 F HA 0.441 4.968 4.527 -0.000 0.000 0.331 43 F C 0.815 176.636 175.800 0.035 0.000 1.085 43 F CA -1.093 56.913 58.000 0.010 0.000 1.028 43 F CB 1.226 40.214 39.000 -0.020 0.000 1.177 43 F HN 0.074 nan 8.300 nan 0.000 0.487 44 N N 1.679 120.515 118.700 0.228 0.000 2.421 44 N HA 0.103 4.843 4.740 0.000 0.000 0.260 44 N C -1.011 174.685 175.510 0.311 0.000 1.173 44 N CA -0.057 53.128 53.050 0.225 0.000 0.960 44 N CB 0.264 38.847 38.487 0.161 0.000 1.273 44 N HN 0.570 nan 8.380 nan 0.000 0.497 45 T N 1.886 116.558 114.554 0.196 0.000 2.867 45 T HA 0.572 4.922 4.350 0.000 0.000 0.282 45 T C -0.306 174.300 174.700 -0.157 0.000 1.000 45 T CA -0.564 61.551 62.100 0.025 0.000 1.042 45 T CB 1.664 70.485 68.868 -0.078 0.000 0.973 45 T HN 0.534 nan 8.240 nan 0.000 0.465 46 A N 1.013 123.552 122.820 -0.468 0.000 2.350 46 A HA 0.691 5.011 4.320 0.000 0.000 0.324 46 A C -0.542 176.738 177.584 -0.506 0.000 1.118 46 A CA -0.701 50.882 52.037 -0.756 0.000 0.783 46 A CB 1.088 19.096 19.000 -1.652 0.000 1.236 46 A HN 0.940 nan 8.150 nan 0.000 0.457 47 C N 2.988 122.051 119.300 -0.394 0.000 2.383 47 C HA 0.647 5.107 4.460 0.000 0.000 0.330 47 C C -0.721 174.194 174.990 -0.125 0.000 1.168 47 C CA -0.284 58.582 59.018 -0.254 0.000 1.374 47 C CB -0.264 27.352 27.740 -0.207 0.000 2.014 47 C HN 0.706 nan 8.230 nan 0.000 0.439 48 V N 5.646 125.450 119.914 -0.184 0.000 2.407 48 V HA 0.699 4.819 4.120 0.000 0.000 0.278 48 V C 0.472 176.534 176.094 -0.055 0.000 1.037 48 V CA 0.131 62.346 62.300 -0.141 0.000 0.900 48 V CB 1.650 33.334 31.823 -0.232 0.000 0.983 48 V HN 0.925 nan 8.190 nan 0.000 0.459 49 T N 3.733 118.301 114.554 0.023 0.000 2.952 49 T HA 0.333 4.683 4.350 0.000 0.000 0.305 49 T C 0.544 175.294 174.700 0.083 0.000 1.064 49 T CA -0.676 61.438 62.100 0.023 0.000 1.008 49 T CB 1.430 70.311 68.868 0.021 0.000 1.078 49 T HN 0.855 nan 8.240 nan 0.000 0.459 50 K N 4.003 124.428 120.400 0.041 0.000 2.487 50 K HA 0.325 4.645 4.320 0.000 0.000 0.192 50 K C 0.240 176.908 176.600 0.113 0.000 1.027 50 K CA 0.192 56.533 56.287 0.091 0.000 1.054 50 K CB 0.130 32.685 32.500 0.092 0.000 0.824 50 K HN 0.409 nan 8.250 nan 0.000 0.510 51 L N 0.354 121.643 121.223 0.109 0.000 2.327 51 L HA 0.433 4.773 4.340 0.000 0.000 0.258 51 L C -0.643 176.317 176.870 0.149 0.000 1.024 51 L CA -1.565 53.364 54.840 0.149 0.000 0.825 51 L CB 1.177 43.304 42.059 0.115 0.000 1.386 51 L HN -0.121 nan 8.230 nan 0.000 0.417 52 F N 2.631 122.604 119.950 0.038 0.000 2.538 52 F HA 0.219 4.746 4.527 0.000 0.000 0.371 52 F C -1.551 174.176 175.800 -0.122 0.000 1.087 52 F CA -1.502 56.476 58.000 -0.036 0.000 1.250 52 F CB 0.878 39.843 39.000 -0.059 0.000 1.110 52 F HN 0.269 nan 8.300 nan 0.000 0.570 53 P HA -0.248 nan 4.420 nan 0.000 0.219 53 P C 1.504 178.472 177.300 -0.554 0.000 1.158 53 P CA 2.580 65.293 63.100 -0.645 0.000 0.895 53 P CB -0.026 31.187 31.700 -0.812 0.000 0.792 54 T N -1.149 112.960 114.554 -0.743 0.000 3.007 54 T HA -0.071 4.279 4.350 0.000 0.000 0.270 54 T C 1.469 176.074 174.700 -0.159 0.000 1.107 54 T CA 0.809 62.642 62.100 -0.445 0.000 1.118 54 T CB -0.365 68.315 68.868 -0.313 0.000 0.889 54 T HN 0.029 nan 8.240 nan 0.000 0.506 55 R N 1.346 121.836 120.500 -0.017 0.000 2.275 55 R HA 0.265 4.605 4.340 0.000 0.000 0.199 55 R C 1.169 177.478 176.300 0.016 0.000 0.989 55 R CA -0.070 56.060 56.100 0.049 0.000 1.016 55 R CB -0.659 29.719 30.300 0.130 0.000 0.918 55 R HN 0.222 nan 8.270 nan 0.000 0.473 56 S N 0.978 116.657 115.700 -0.035 0.000 2.550 56 S HA -0.117 4.353 4.470 0.000 0.000 0.285 56 S C 1.251 175.866 174.600 0.025 0.000 1.326 56 S CA 0.040 58.238 58.200 -0.004 0.000 1.037 56 S CB 0.437 63.613 63.200 -0.041 0.000 0.838 56 S HN 0.428 nan 8.310 nan 0.000 0.519 57 H N 2.007 121.061 119.070 -0.027 0.000 2.421 57 H HA -0.085 4.471 4.556 0.000 0.000 0.298 57 H C 1.853 177.169 175.328 -0.021 0.000 1.087 57 H CA 2.259 58.291 56.048 -0.027 0.000 1.330 57 H CB -0.407 29.331 29.762 -0.041 0.000 1.388 57 H HN 0.648 nan 8.280 nan 0.000 0.526 58 T N -0.508 114.066 114.554 0.035 0.000 2.918 58 T HA -0.141 4.209 4.350 0.000 0.000 0.271 58 T C 2.117 176.785 174.700 -0.053 0.000 1.104 58 T CA 1.044 63.146 62.100 0.002 0.000 1.114 58 T CB -0.438 68.448 68.868 0.031 0.000 0.855 58 T HN 0.165 nan 8.240 nan 0.000 0.518 59 V N 1.527 121.393 119.914 -0.079 0.000 2.490 59 V HA -0.139 3.981 4.120 0.000 0.000 0.250 59 V C 2.856 178.934 176.094 -0.026 0.000 1.061 59 V CA 1.498 63.783 62.300 -0.025 0.000 1.064 59 V CB -1.135 30.679 31.823 -0.015 0.000 0.670 59 V HN 0.574 nan 8.190 nan 0.000 0.461 60 A N 0.082 122.794 122.820 -0.181 0.000 2.119 60 A HA 0.294 4.614 4.320 0.000 0.000 0.217 60 A C 1.545 179.054 177.584 -0.125 0.000 1.153 60 A CA 0.775 52.687 52.037 -0.209 0.000 0.692 60 A CB -0.511 18.222 19.000 -0.445 0.000 0.799 60 A HN 0.588 nan 8.150 nan 0.000 0.458 61 A N -0.437 122.332 122.820 -0.084 0.000 2.546 61 A HA 0.312 4.632 4.320 0.000 0.000 0.243 61 A C 0.785 178.382 177.584 0.022 0.000 1.063 61 A CA 0.611 52.645 52.037 -0.005 0.000 0.757 61 A CB 0.094 19.112 19.000 0.030 0.000 0.991 61 A HN 0.630 nan 8.150 nan 0.000 0.503 62 Q N 2.285 122.107 119.800 0.037 0.000 2.586 62 Q HA 0.133 4.473 4.340 0.000 0.000 0.243 62 Q C 2.106 178.131 176.000 0.041 0.000 0.846 62 Q CA 0.374 56.197 55.803 0.035 0.000 0.959 62 Q CB -0.089 28.664 28.738 0.024 0.000 1.227 62 Q HN 0.878 nan 8.270 nan 0.000 0.611 63 G N 1.133 109.981 108.800 0.081 0.000 2.863 63 G HA2 0.018 3.978 3.960 0.000 0.000 0.217 63 G HA3 0.018 3.978 3.960 0.000 0.000 0.217 63 G C 0.628 175.453 174.900 -0.125 0.000 1.315 63 G CA 1.180 46.286 45.100 0.010 0.000 0.796 63 G HN 0.538 nan 8.290 nan 0.000 0.669 64 G N -1.868 106.911 108.800 -0.035 0.000 2.336 64 G HA2 0.390 4.350 3.960 0.000 0.000 0.286 64 G HA3 0.390 4.350 3.960 0.000 0.000 0.286 64 G C -1.812 173.133 174.900 0.075 0.000 1.269 64 G CA -0.174 44.925 45.100 -0.001 0.000 0.873 64 G HN 0.897 nan 8.290 nan 0.000 0.494 65 I N 1.054 121.684 120.570 0.100 0.000 2.478 65 I HA 0.382 4.552 4.170 0.000 0.000 0.287 65 I C -0.799 175.365 176.117 0.079 0.000 1.042 65 I CA -1.019 60.358 61.300 0.128 0.000 1.067 65 I CB 1.585 39.696 38.000 0.185 0.000 1.233 65 I HN 0.416 nan 8.210 nan 0.000 0.431 66 N N 6.040 124.803 118.700 0.105 0.000 2.492 66 N HA 0.564 5.304 4.740 0.000 0.000 0.260 66 N C -0.696 174.870 175.510 0.092 0.000 1.215 66 N CA 0.050 53.130 53.050 0.050 0.000 0.923 66 N CB 1.630 40.145 38.487 0.048 0.000 1.092 66 N HN 0.680 nan 8.380 nan 0.000 0.448 67 A N 0.383 123.199 122.820 -0.006 0.000 2.528 67 A HA 0.503 4.823 4.320 0.000 0.000 0.306 67 A C -0.436 177.149 177.584 0.000 0.000 1.042 67 A CA -0.697 51.369 52.037 0.048 0.000 0.950 67 A CB 0.102 19.097 19.000 -0.008 0.000 1.374 67 A HN 0.598 nan 8.150 nan 0.000 0.387 68 A N 2.798 125.668 122.820 0.083 0.000 3.046 68 A HA 0.431 4.751 4.320 0.000 0.000 0.259 68 A C 1.027 178.618 177.584 0.011 0.000 1.843 68 A CA 0.160 52.227 52.037 0.049 0.000 1.451 68 A CB -1.059 18.013 19.000 0.119 0.000 1.025 68 A HN 0.956 nan 8.150 nan 0.000 0.625 69 L N 0.390 121.595 121.223 -0.030 0.000 2.217 69 L HA 0.029 4.369 4.340 0.000 0.000 0.211 69 L C 1.902 178.749 176.870 -0.039 0.000 1.107 69 L CA 0.925 55.736 54.840 -0.048 0.000 0.783 69 L CB -0.297 41.708 42.059 -0.090 0.000 0.919 69 L HN 0.770 nan 8.230 nan 0.000 0.442 70 G N 0.079 108.860 108.800 -0.031 0.000 2.182 70 G HA2 -0.268 3.692 3.960 0.000 0.000 0.248 70 G HA3 -0.268 3.692 3.960 0.000 0.000 0.248 70 G C 0.517 175.409 174.900 -0.014 0.000 1.042 70 G CA 0.464 45.555 45.100 -0.015 0.000 0.775 70 G HN 0.313 nan 8.290 nan 0.000 0.501 71 N N -0.358 118.324 118.700 -0.030 0.000 2.300 71 N HA 0.063 4.803 4.740 0.000 0.000 0.179 71 N C 2.350 177.858 175.510 -0.004 0.000 1.016 71 N CA 1.289 54.323 53.050 -0.026 0.000 0.876 71 N CB -0.155 38.300 38.487 -0.053 0.000 0.979 71 N HN 0.426 nan 8.380 nan 0.000 0.432 72 M N 0.366 119.966 119.600 0.001 0.000 2.248 72 M HA 0.091 4.571 4.480 0.000 0.000 0.265 72 M C 0.716 177.054 176.300 0.064 0.000 1.079 72 M CA 1.019 56.339 55.300 0.034 0.000 1.150 72 M CB -0.432 32.198 32.600 0.050 0.000 1.366 72 M HN 0.171 nan 8.290 nan 0.000 0.433 73 E N 0.509 120.747 120.200 0.064 0.000 2.425 73 E HA 0.224 4.574 4.350 0.000 0.000 0.272 73 E C -1.212 175.426 176.600 0.065 0.000 1.061 73 E CA -0.639 55.802 56.400 0.069 0.000 0.877 73 E CB 1.105 30.856 29.700 0.085 0.000 1.590 73 E HN 0.245 nan 8.360 nan 0.000 0.462 74 E N 1.138 121.387 120.200 0.081 0.000 2.398 74 E HA 0.331 4.681 4.350 0.000 0.000 0.263 74 E C -0.752 175.927 176.600 0.132 0.000 1.046 74 E CA -0.049 56.399 56.400 0.079 0.000 0.908 74 E CB 0.734 30.493 29.700 0.099 0.000 0.963 74 E HN 0.395 nan 8.360 nan 0.000 0.431 75 D N 1.088 121.487 120.400 -0.002 0.000 2.626 75 D HA 0.369 5.009 4.640 0.000 0.000 0.278 75 D C -1.661 174.305 176.300 -0.556 0.000 1.211 75 D CA -0.694 53.253 54.000 -0.089 0.000 0.903 75 D CB 1.737 42.539 40.800 0.004 0.000 1.408 75 D HN 0.472 nan 8.370 nan 0.000 0.454 76 N N 1.462 119.643 118.700 -0.866 0.000 2.542 76 N HA 0.048 4.788 4.740 0.000 0.000 0.288 76 N C 1.058 176.192 175.510 -0.626 0.000 1.115 76 N CA -0.532 51.894 53.050 -1.041 0.000 0.924 76 N CB 0.816 38.072 38.487 -2.052 0.000 1.526 76 N HN 0.605 nan 8.380 nan 0.000 0.515 77 W N 4.562 125.707 121.300 -0.259 0.000 2.336 77 W HA -0.147 4.513 4.660 -0.000 0.000 0.277 77 W C 0.590 177.111 176.519 0.003 0.000 1.211 77 W CA 0.301 57.616 57.345 -0.049 0.000 1.187 77 W CB -0.553 28.884 29.460 -0.038 0.000 1.132 77 W HN 0.448 nan 8.180 nan 0.000 0.562 78 R N -0.499 119.463 120.500 -0.896 0.000 2.148 78 R HA -0.116 4.224 4.340 0.000 0.000 0.223 78 R C 2.032 178.267 176.300 -0.108 0.000 1.088 78 R CA 1.748 57.434 56.100 -0.690 0.000 0.985 78 R CB -0.652 29.119 30.300 -0.883 0.000 0.880 78 R HN 0.142 nan 8.270 nan 0.000 0.451 79 W N 0.054 121.142 121.300 -0.353 0.000 2.467 79 W HA -0.029 4.631 4.660 -0.000 0.000 0.275 79 W C 1.915 178.464 176.519 0.050 0.000 1.239 79 W CA 0.406 57.535 57.345 -0.361 0.000 1.266 79 W CB -1.026 28.189 29.460 -0.408 0.000 1.112 79 W HN 0.333 nan 8.180 nan 0.000 0.576 80 H N -1.251 117.952 119.070 0.221 0.000 2.363 80 H HA -0.190 4.366 4.556 0.000 0.000 0.301 80 H C 2.248 177.722 175.328 0.243 0.000 1.074 80 H CA 1.515 57.695 56.048 0.220 0.000 1.354 80 H CB -0.374 29.522 29.762 0.224 0.000 1.397 80 H HN -0.029 nan 8.280 nan 0.000 0.516 81 F N 0.898 120.979 119.950 0.219 0.000 2.046 81 F HA -0.312 4.215 4.527 -0.000 0.000 0.297 81 F C 2.335 178.231 175.800 0.161 0.000 1.123 81 F CA 1.955 60.043 58.000 0.148 0.000 1.199 81 F CB -1.144 37.947 39.000 0.153 0.000 0.972 81 F HN 0.224 nan 8.300 nan 0.000 0.474 82 Y N 1.698 122.027 120.300 0.048 0.000 2.053 82 Y HA -0.307 4.243 4.550 -0.000 0.000 0.277 82 Y C 2.392 178.228 175.900 -0.107 0.000 1.159 82 Y CA 2.340 60.424 58.100 -0.026 0.000 1.125 82 Y CB -0.978 37.675 38.460 0.321 0.000 0.969 82 Y HN 0.170 nan 8.280 nan 0.000 0.492 83 D N -0.734 119.696 120.400 0.050 0.000 2.133 83 D HA -0.183 4.457 4.640 0.000 0.000 0.195 83 D C 2.078 178.292 176.300 -0.143 0.000 0.997 83 D CA 2.125 56.109 54.000 -0.028 0.000 0.840 83 D CB -0.489 40.413 40.800 0.170 0.000 0.947 83 D HN 0.445 nan 8.370 nan 0.000 0.452 84 T N 0.617 115.105 114.554 -0.111 0.000 2.770 84 T HA -0.101 4.249 4.350 0.000 0.000 0.263 84 T C 2.124 176.626 174.700 -0.330 0.000 1.039 84 T CA 0.888 62.907 62.100 -0.136 0.000 1.142 84 T CB -0.409 68.415 68.868 -0.072 0.000 0.868 84 T HN 0.029 nan 8.240 nan 0.000 0.435 85 V N 1.584 121.163 119.914 -0.558 0.000 2.407 85 V HA -0.123 3.997 4.120 0.000 0.000 0.248 85 V C 2.415 177.919 176.094 -0.983 0.000 1.055 85 V CA 2.001 63.877 62.300 -0.708 0.000 1.049 85 V CB -0.479 30.842 31.823 -0.836 0.000 0.662 85 V HN 0.405 nan 8.190 nan 0.000 0.455 86 K N -0.051 119.742 120.400 -1.011 0.000 2.057 86 K HA -0.070 4.250 4.320 0.000 0.000 0.206 86 K C 2.051 178.272 176.600 -0.631 0.000 1.050 86 K CA 1.578 57.168 56.287 -1.160 0.000 0.935 86 K CB -0.767 31.210 32.500 -0.871 0.000 0.715 86 K HN 0.565 nan 8.250 nan 0.000 0.439 87 G N 0.463 109.069 108.800 -0.324 0.000 2.498 87 G HA2 -0.209 3.751 3.960 0.000 0.000 0.219 87 G HA3 -0.209 3.751 3.960 0.000 0.000 0.219 87 G C 1.326 176.156 174.900 -0.117 0.000 1.119 87 G CA 0.980 46.026 45.100 -0.090 0.000 0.766 87 G HN 0.498 nan 8.290 nan 0.000 0.552 88 S N -0.535 115.021 115.700 -0.240 0.000 2.593 88 S HA 0.093 4.563 4.470 0.000 0.000 0.217 88 S C 0.929 175.458 174.600 -0.119 0.000 0.966 88 S CA 0.720 58.826 58.200 -0.157 0.000 0.914 88 S CB 0.138 63.225 63.200 -0.189 0.000 0.776 88 S HN 0.210 nan 8.310 nan 0.000 0.523 89 D N 0.745 121.050 120.400 -0.157 0.000 2.837 89 D HA -0.194 4.446 4.640 0.000 0.000 0.230 89 D C -0.493 175.962 176.300 0.259 0.000 1.152 89 D CA 1.019 55.085 54.000 0.111 0.000 0.736 89 D CB -1.958 38.961 40.800 0.198 0.000 1.084 89 D HN 0.686 nan 8.370 nan 0.000 0.429 90 W N -2.247 119.025 121.300 -0.046 0.000 4.849 90 W HA -0.306 4.354 4.660 0.000 0.000 0.358 90 W C 1.117 177.608 176.519 -0.047 0.000 1.331 90 W CA 0.653 57.961 57.345 -0.063 0.000 0.844 90 W CB -1.978 27.422 29.460 -0.100 0.000 2.434 90 W HN 0.312 nan 8.180 nan 0.000 1.458 91 L N -0.128 121.117 121.223 0.036 0.000 2.766 91 L HA 0.464 4.804 4.340 0.000 0.000 0.242 91 L C 1.343 178.221 176.870 0.013 0.000 1.136 91 L CA 1.268 56.087 54.840 -0.035 0.000 0.933 91 L CB 0.123 42.106 42.059 -0.126 0.000 1.241 91 L HN -0.045 nan 8.230 nan 0.000 0.522 92 G N -0.256 108.542 108.800 -0.004 0.000 2.356 92 G HA2 0.252 4.212 3.960 0.000 0.000 0.298 92 G HA3 0.252 4.212 3.960 0.000 0.000 0.298 92 G C -0.910 174.039 174.900 0.081 0.000 1.145 92 G CA -0.513 44.605 45.100 0.029 0.000 0.850 92 G HN 0.114 nan 8.290 nan 0.000 0.487 93 D N 2.193 122.678 120.400 0.142 0.000 2.346 93 D HA 0.026 4.666 4.640 0.000 0.000 0.260 93 D C 1.382 177.781 176.300 0.166 0.000 1.252 93 D CA 0.268 54.372 54.000 0.174 0.000 0.895 93 D CB 1.600 42.506 40.800 0.176 0.000 1.097 93 D HN 0.497 nan 8.370 nan 0.000 0.489 94 Q N 1.334 121.251 119.800 0.196 0.000 2.291 94 Q HA -0.157 4.183 4.340 0.000 0.000 0.206 94 Q C 1.414 177.643 176.000 0.382 0.000 0.976 94 Q CA 0.934 56.919 55.803 0.304 0.000 0.875 94 Q CB 0.222 29.172 28.738 0.352 0.000 0.927 94 Q HN 0.545 nan 8.270 nan 0.000 0.450 95 D N 0.179 120.732 120.400 0.253 0.000 2.149 95 D HA -0.125 4.515 4.640 0.000 0.000 0.201 95 D C 1.671 178.051 176.300 0.133 0.000 0.972 95 D CA 1.302 55.396 54.000 0.158 0.000 0.835 95 D CB -0.199 40.649 40.800 0.079 0.000 0.966 95 D HN 0.164 nan 8.370 nan 0.000 0.476 96 A N 0.923 123.876 122.820 0.222 0.000 1.929 96 A HA 0.054 4.374 4.320 0.000 0.000 0.216 96 A C 2.532 180.344 177.584 0.381 0.000 1.176 96 A CA 0.733 52.967 52.037 0.328 0.000 0.628 96 A CB -0.715 18.454 19.000 0.283 0.000 0.816 96 A HN 0.243 nan 8.150 nan 0.000 0.444 97 I N -1.107 119.656 120.570 0.323 0.000 2.361 97 I HA -0.271 3.899 4.170 0.000 0.000 0.251 97 I C 2.428 178.850 176.117 0.509 0.000 1.133 97 I CA 1.655 63.150 61.300 0.326 0.000 1.413 97 I CB -0.508 37.612 38.000 0.201 0.000 1.073 97 I HN 0.601 nan 8.210 nan 0.000 0.424 98 H N 0.038 119.352 119.070 0.406 0.000 2.299 98 H HA -0.275 4.281 4.556 -0.000 0.000 0.302 98 H C 2.432 177.803 175.328 0.071 0.000 1.078 98 H CA 1.790 57.978 56.048 0.233 0.000 1.323 98 H CB -0.102 29.679 29.762 0.031 0.000 1.381 98 H HN 0.297 nan 8.280 nan 0.000 0.498 99 Y N 0.849 121.115 120.300 -0.056 0.000 2.128 99 Y HA -0.318 4.232 4.550 0.000 0.000 0.284 99 Y C 2.856 178.631 175.900 -0.208 0.000 1.154 99 Y CA 2.074 60.025 58.100 -0.248 0.000 1.149 99 Y CB -0.283 38.039 38.460 -0.230 0.000 0.976 99 Y HN 0.271 nan 8.280 nan 0.000 0.505 100 M N -0.376 119.264 119.600 0.066 0.000 2.067 100 M HA -0.218 4.262 4.480 0.000 0.000 0.260 100 M C 2.229 178.457 176.300 -0.119 0.000 1.069 100 M CA 2.675 57.947 55.300 -0.046 0.000 1.117 100 M CB -0.469 32.245 32.600 0.189 0.000 1.334 100 M HN 0.479 nan 8.290 nan 0.000 0.407 101 T N -2.257 112.273 114.554 -0.040 0.000 2.867 101 T HA -0.199 4.151 4.350 0.000 0.000 0.268 101 T C 1.543 176.192 174.700 -0.085 0.000 1.057 101 T CA 1.653 63.724 62.100 -0.048 0.000 1.136 101 T CB -0.588 68.344 68.868 0.106 0.000 0.874 101 T HN 0.662 nan 8.240 nan 0.000 0.466 102 E N 0.604 120.542 120.200 -0.437 0.000 2.208 102 E HA -0.152 4.198 4.350 0.000 0.000 0.193 102 E C 2.311 178.457 176.600 -0.757 0.000 0.988 102 E CA 0.688 56.383 56.400 -1.175 0.000 0.828 102 E CB -0.100 28.657 29.700 -1.572 0.000 0.763 102 E HN 0.522 nan 8.360 nan 0.000 0.478 103 Q N 0.205 119.649 119.800 -0.593 0.000 2.354 103 Q HA 0.134 4.474 4.340 0.000 0.000 0.203 103 Q C 1.687 177.512 176.000 -0.292 0.000 0.933 103 Q CA 1.099 56.602 55.803 -0.501 0.000 0.901 103 Q CB -0.160 28.174 28.738 -0.673 0.000 1.007 103 Q HN 0.322 nan 8.270 nan 0.000 0.495 104 A N 1.534 124.235 122.820 -0.198 0.000 1.881 104 A HA -0.210 4.110 4.320 0.000 0.000 0.219 104 A C -0.393 177.156 177.584 -0.058 0.000 1.215 104 A CA 1.968 53.971 52.037 -0.056 0.000 0.648 104 A CB -1.896 17.155 19.000 0.084 0.000 0.832 104 A HN 0.451 nan 8.150 nan 0.000 0.455 105 P HA -0.194 nan 4.420 nan 0.000 0.214 105 P C 1.817 179.058 177.300 -0.098 0.000 1.163 105 P CA 2.289 65.345 63.100 -0.075 0.000 0.889 105 P CB -0.219 31.436 31.700 -0.075 0.000 0.790 106 A N -0.931 121.810 122.820 -0.132 0.000 1.940 106 A HA -0.192 4.128 4.320 0.000 0.000 0.219 106 A C 2.349 179.865 177.584 -0.114 0.000 1.176 106 A CA 2.260 54.221 52.037 -0.127 0.000 0.631 106 A CB -1.578 17.329 19.000 -0.156 0.000 0.814 106 A HN 0.136 nan 8.150 nan 0.000 0.446 107 S N -0.696 114.938 115.700 -0.110 0.000 2.383 107 S HA -0.096 4.375 4.470 0.000 0.000 0.227 107 S C 1.857 176.434 174.600 -0.039 0.000 1.026 107 S CA 1.334 59.488 58.200 -0.077 0.000 0.981 107 S CB -0.308 62.855 63.200 -0.062 0.000 0.818 107 S HN 0.344 nan 8.310 nan 0.000 0.472 108 V N 1.339 121.239 119.914 -0.024 0.000 2.379 108 V HA -0.079 4.041 4.120 0.000 0.000 0.245 108 V C 2.240 178.336 176.094 0.002 0.000 1.044 108 V CA 1.185 63.495 62.300 0.017 0.000 1.036 108 V CB -0.531 31.260 31.823 -0.054 0.000 0.664 108 V HN 0.328 nan 8.190 nan 0.000 0.453 109 V N 0.049 119.928 119.914 -0.059 0.000 2.490 109 V HA -0.263 3.857 4.120 0.000 0.000 0.250 109 V C 2.403 178.444 176.094 -0.087 0.000 1.061 109 V CA 2.145 64.410 62.300 -0.058 0.000 1.064 109 V CB -0.553 31.229 31.823 -0.070 0.000 0.670 109 V HN 0.672 nan 8.190 nan 0.000 0.461 110 E N 0.161 120.266 120.200 -0.159 0.000 2.077 110 E HA -0.198 4.152 4.350 0.000 0.000 0.193 110 E C 2.235 178.491 176.600 -0.574 0.000 0.989 110 E CA 1.211 57.386 56.400 -0.375 0.000 0.800 110 E CB -0.070 29.413 29.700 -0.363 0.000 0.746 110 E HN 0.573 nan 8.360 nan 0.000 0.452 111 L N 0.976 122.070 121.223 -0.215 0.000 2.027 111 L HA -0.164 4.176 4.340 0.000 0.000 0.206 111 L C 2.868 179.810 176.870 0.121 0.000 1.074 111 L CA 1.160 55.999 54.840 -0.001 0.000 0.745 111 L CB -0.513 41.662 42.059 0.193 0.000 0.898 111 L HN 0.222 nan 8.230 nan 0.000 0.433 112 E N 0.770 121.107 120.200 0.228 0.000 2.077 112 E HA -0.230 4.120 4.350 0.000 0.000 0.193 112 E C 1.721 178.404 176.600 0.139 0.000 0.989 112 E CA 1.388 57.952 56.400 0.275 0.000 0.800 112 E CB -0.091 29.785 29.700 0.293 0.000 0.746 112 E HN 0.418 nan 8.360 nan 0.000 0.452 113 N N -0.308 118.425 118.700 0.055 0.000 2.453 113 N HA -0.095 4.645 4.740 0.000 0.000 0.183 113 N C 1.436 177.051 175.510 0.177 0.000 1.041 113 N CA 0.585 53.674 53.050 0.064 0.000 0.900 113 N CB -0.353 38.136 38.487 0.003 0.000 0.961 113 N HN 0.406 nan 8.380 nan 0.000 0.443 114 Y N -1.032 119.301 120.300 0.054 0.000 2.457 114 Y HA 0.070 4.620 4.550 -0.000 0.000 0.292 114 Y C 1.673 177.574 175.900 0.002 0.000 1.125 114 Y CA 0.207 58.318 58.100 0.018 0.000 1.254 114 Y CB 0.469 38.944 38.460 0.025 0.000 1.012 114 Y HN 0.196 nan 8.280 nan 0.000 0.555 115 G N 0.128 109.034 108.800 0.177 0.000 2.273 115 G HA2 -0.237 3.723 3.960 0.000 0.000 0.162 115 G HA3 -0.237 3.723 3.960 0.000 0.000 0.162 115 G C 0.156 175.085 174.900 0.048 0.000 1.006 115 G CA -0.365 44.790 45.100 0.091 0.000 0.704 115 G HN 0.153 nan 8.290 nan 0.000 0.487 116 M N 3.244 122.862 119.600 0.029 0.000 2.338 116 M HA 0.232 4.712 4.480 0.000 0.000 0.360 116 M C -1.448 174.760 176.300 -0.153 0.000 1.547 116 M CA -0.531 54.687 55.300 -0.137 0.000 1.001 116 M CB 0.522 32.918 32.600 -0.341 0.000 2.008 116 M HN 0.021 nan 8.290 nan 0.000 0.464 117 P HA 0.041 nan 4.420 nan 0.000 0.226 117 P C -0.895 176.387 177.300 -0.032 0.000 1.783 117 P CA 0.063 63.136 63.100 -0.044 0.000 0.980 117 P CB -0.750 30.938 31.700 -0.022 0.000 1.967 118 F N 0.677 120.659 119.950 0.053 0.000 2.545 118 F HA 0.003 4.530 4.527 -0.000 0.000 0.348 118 F C 1.614 177.447 175.800 0.055 0.000 1.163 118 F CA 0.722 58.757 58.000 0.058 0.000 1.331 118 F CB 0.142 39.175 39.000 0.055 0.000 1.138 118 F HN 0.056 nan 8.300 nan 0.000 0.602 119 S N 3.474 119.363 115.700 0.316 0.000 2.580 119 S HA 0.400 4.870 4.470 0.000 0.000 0.274 119 S C 0.195 174.905 174.600 0.182 0.000 1.329 119 S CA -0.853 57.448 58.200 0.168 0.000 1.036 119 S CB 0.618 63.885 63.200 0.111 0.000 0.919 119 S HN 0.314 nan 8.310 nan 0.000 0.515 120 R N 1.164 121.715 120.500 0.085 0.000 2.758 120 R HA 0.574 4.914 4.340 0.000 0.000 0.265 120 R C 0.624 176.958 176.300 0.057 0.000 1.016 120 R CA -0.606 55.544 56.100 0.084 0.000 1.040 120 R CB 0.844 31.177 30.300 0.055 0.000 1.152 120 R HN 0.804 nan 8.270 nan 0.000 0.503 121 T N -2.786 111.814 114.554 0.077 0.000 2.893 121 T HA 0.164 4.514 4.350 0.000 0.000 0.279 121 T C 1.017 175.735 174.700 0.030 0.000 0.991 121 T CA -0.575 61.567 62.100 0.070 0.000 0.950 121 T CB 1.109 70.031 68.868 0.090 0.000 1.223 121 T HN 0.457 nan 8.240 nan 0.000 0.585 122 E N -0.155 120.059 120.200 0.023 0.000 2.274 122 E HA -0.068 4.282 4.350 0.000 0.000 0.194 122 E C 1.307 177.915 176.600 0.014 0.000 0.996 122 E CA 1.065 57.472 56.400 0.012 0.000 0.840 122 E CB -0.468 29.237 29.700 0.008 0.000 0.772 122 E HN 0.613 nan 8.360 nan 0.000 0.491 123 D N -0.845 119.567 120.400 0.019 0.000 2.355 123 D HA 0.063 4.703 4.640 0.000 0.000 0.218 123 D C 0.806 177.116 176.300 0.016 0.000 1.004 123 D CA 0.927 54.937 54.000 0.016 0.000 0.880 123 D CB 0.356 41.166 40.800 0.015 0.000 0.911 123 D HN 0.346 nan 8.370 nan 0.000 0.528 124 G N 1.460 110.273 108.800 0.021 0.000 2.136 124 G HA2 -0.283 3.677 3.960 0.000 0.000 0.242 124 G HA3 -0.283 3.677 3.960 0.000 0.000 0.242 124 G C 0.279 175.195 174.900 0.027 0.000 0.989 124 G CA 0.104 45.219 45.100 0.024 0.000 0.682 124 G HN 0.284 nan 8.290 nan 0.000 0.522 125 K N -0.626 119.790 120.400 0.026 0.000 2.168 125 K HA 0.677 4.997 4.320 0.000 0.000 0.239 125 K C 0.820 177.430 176.600 0.017 0.000 0.999 125 K CA -1.159 55.135 56.287 0.011 0.000 0.900 125 K CB 1.401 33.898 32.500 -0.005 0.000 1.111 125 K HN 0.156 nan 8.250 nan 0.000 0.452 126 I N 2.355 122.900 120.570 -0.042 0.000 2.741 126 I HA -0.124 4.046 4.170 0.000 0.000 0.288 126 I C 0.007 176.097 176.117 -0.045 0.000 1.192 126 I CA 0.129 61.370 61.300 -0.099 0.000 1.426 126 I CB -0.183 37.584 38.000 -0.388 0.000 1.367 126 I HN 0.453 nan 8.210 nan 0.000 0.563 127 Y N 7.946 128.200 120.300 -0.077 0.000 2.377 127 Y HA 0.238 4.788 4.550 0.000 0.000 0.330 127 Y C -0.112 175.737 175.900 -0.085 0.000 1.108 127 Y CA -0.206 57.858 58.100 -0.060 0.000 1.308 127 Y CB 0.443 38.888 38.460 -0.024 0.000 1.216 127 Y HN 0.527 nan 8.280 nan 0.000 0.518 128 Q N 4.638 123.977 119.800 -0.769 0.000 2.359 128 Q HA 0.682 5.022 4.340 0.000 0.000 0.275 128 Q C -1.163 174.273 176.000 -0.940 0.000 1.082 128 Q CA -1.454 53.950 55.803 -0.665 0.000 0.849 128 Q CB 2.455 30.997 28.738 -0.327 0.000 1.377 128 Q HN 0.595 nan 8.270 nan 0.000 0.452 129 R N -0.444 119.727 120.500 -0.548 0.000 2.752 129 R HA 0.666 5.006 4.340 0.000 0.000 0.271 129 R C -1.720 174.526 176.300 -0.090 0.000 1.026 129 R CA -0.421 55.448 56.100 -0.386 0.000 0.901 129 R CB 1.505 31.600 30.300 -0.341 0.000 1.243 129 R HN 0.800 nan 8.270 nan 0.000 0.463 130 A N 1.660 124.541 122.820 0.102 0.000 2.448 130 A HA 0.523 4.843 4.320 0.000 0.000 0.239 130 A C -0.760 176.987 177.584 0.272 0.000 1.080 130 A CA 0.491 52.703 52.037 0.292 0.000 0.779 130 A CB -0.058 19.156 19.000 0.357 0.000 1.026 130 A HN 0.524 nan 8.150 nan 0.000 0.499 131 F N -1.235 118.742 119.950 0.044 0.000 2.741 131 F HA 0.469 4.996 4.527 0.000 0.000 0.311 131 F C 0.932 176.732 175.800 -0.000 0.000 1.149 131 F CA -0.720 57.288 58.000 0.014 0.000 0.930 131 F CB 1.194 40.195 39.000 0.002 0.000 1.312 131 F HN 0.921 nan 8.300 nan 0.000 0.450 132 G N 1.235 109.904 108.800 -0.217 0.000 2.093 132 G HA2 0.283 4.243 3.960 0.000 0.000 0.257 132 G HA3 0.283 4.243 3.960 0.000 0.000 0.257 132 G C 0.728 175.560 174.900 -0.114 0.000 1.004 132 G CA 0.495 45.451 45.100 -0.241 0.000 0.949 132 G HN 1.514 nan 8.290 nan 0.000 0.400 133 G N 2.042 110.812 108.800 -0.048 0.000 2.334 133 G HA2 -0.209 3.751 3.960 0.000 0.000 0.279 133 G HA3 -0.209 3.751 3.960 0.000 0.000 0.279 133 G C 0.128 175.108 174.900 0.133 0.000 0.918 133 G CA 0.528 45.687 45.100 0.099 0.000 1.314 133 G HN 0.938 nan 8.290 nan 0.000 0.463 134 Q N -0.007 119.853 119.800 0.100 0.000 2.294 134 Q HA 0.517 4.857 4.340 0.000 0.000 0.264 134 Q C 0.080 176.102 176.000 0.037 0.000 0.992 134 Q CA -0.199 55.653 55.803 0.082 0.000 0.747 134 Q CB 2.007 30.781 28.738 0.059 0.000 1.262 134 Q HN 0.641 nan 8.270 nan 0.000 0.452 135 S N 2.322 118.045 115.700 0.038 0.000 2.776 135 S HA 0.783 5.253 4.470 0.000 0.000 0.306 135 S C -0.167 174.349 174.600 -0.139 0.000 1.114 135 S CA -0.771 57.397 58.200 -0.053 0.000 0.973 135 S CB 1.117 64.289 63.200 -0.046 0.000 1.250 135 S HN 0.469 nan 8.310 nan 0.000 0.549 136 L N 0.047 121.078 121.223 -0.319 0.000 2.286 136 L HA 0.561 4.901 4.340 0.000 0.000 0.265 136 L C -0.161 176.036 176.870 -1.121 0.000 1.012 136 L CA -1.391 53.037 54.840 -0.687 0.000 0.818 136 L CB 0.844 42.569 42.059 -0.557 0.000 1.337 136 L HN 0.811 nan 8.230 nan 0.000 0.438 137 K N 1.654 120.661 120.400 -2.323 0.000 3.602 137 K HA -0.249 4.071 4.320 0.000 0.000 0.274 137 K C -0.842 175.294 176.600 -0.773 0.000 0.864 137 K CA 0.509 55.821 56.287 -1.625 0.000 0.682 137 K CB -1.581 30.467 32.500 -0.753 0.000 1.576 137 K HN 0.502 nan 8.250 nan 0.000 0.447 138 F N -0.784 118.657 119.950 -0.850 0.000 2.891 138 F HA -0.263 4.264 4.527 0.000 0.000 0.272 138 F C 1.336 176.706 175.800 -0.716 0.000 1.004 138 F CA 1.301 58.851 58.000 -0.750 0.000 0.938 138 F CB -2.123 36.452 39.000 -0.707 0.000 0.939 138 F HN 0.633 nan 8.300 nan 0.000 0.833 139 G N -0.821 107.820 108.800 -0.266 0.000 2.168 139 G HA2 -0.370 3.590 3.960 0.000 0.000 0.263 139 G HA3 -0.370 3.590 3.960 0.000 0.000 0.263 139 G C 1.197 176.022 174.900 -0.124 0.000 0.977 139 G CA 0.669 45.723 45.100 -0.076 0.000 0.659 139 G HN 0.452 nan 8.290 nan 0.000 0.533 140 K N -0.439 119.838 120.400 -0.206 0.000 2.367 140 K HA 0.196 4.516 4.320 0.000 0.000 0.198 140 K C 2.446 178.931 176.600 -0.193 0.000 1.132 140 K CA 0.865 57.052 56.287 -0.166 0.000 0.941 140 K CB -0.541 31.869 32.500 -0.152 0.000 1.052 140 K HN 0.377 nan 8.250 nan 0.000 0.507 141 G N 1.384 110.002 108.800 -0.304 0.000 2.625 141 G HA2 0.186 4.146 3.960 0.000 0.000 0.214 141 G HA3 0.186 4.146 3.960 0.000 0.000 0.214 141 G C 0.642 175.412 174.900 -0.218 0.000 1.132 141 G CA 0.761 45.679 45.100 -0.304 0.000 0.782 141 G HN 0.517 nan 8.290 nan 0.000 0.538 142 G N -1.048 107.644 108.800 -0.179 0.000 2.592 142 G HA2 0.058 4.018 3.960 0.000 0.000 0.684 142 G HA3 0.058 4.018 3.960 0.000 0.000 0.684 142 G C -0.409 174.405 174.900 -0.143 0.000 1.291 142 G CA -0.133 44.891 45.100 -0.127 0.000 0.891 142 G HN 0.629 nan 8.290 nan 0.000 0.544 143 Q N 0.119 119.846 119.800 -0.121 0.000 2.269 143 Q HA 0.532 4.872 4.340 0.000 0.000 0.300 143 Q C 0.583 176.376 176.000 -0.345 0.000 1.070 143 Q CA 1.363 57.073 55.803 -0.156 0.000 0.957 143 Q CB 0.415 29.099 28.738 -0.090 0.000 1.131 143 Q HN 1.824 nan 8.270 nan 0.000 0.377 144 A N 4.742 127.399 122.820 -0.272 0.000 2.282 144 A HA 0.526 4.846 4.320 0.000 0.000 0.319 144 A C -1.126 176.257 177.584 -0.336 0.000 1.121 144 A CA -0.490 51.371 52.037 -0.292 0.000 0.836 144 A CB 0.581 19.529 19.000 -0.087 0.000 1.146 144 A HN 0.966 nan 8.150 nan 0.000 0.494 145 H N 0.377 119.433 119.070 -0.023 0.000 2.569 145 H HA 0.374 4.930 4.556 0.000 0.000 0.247 145 H C 0.312 175.571 175.328 -0.115 0.000 1.346 145 H CA -0.358 55.644 56.048 -0.076 0.000 1.502 145 H CB 0.657 30.368 29.762 -0.085 0.000 1.512 145 H HN 0.715 nan 8.280 nan 0.000 0.502 146 R N 0.326 120.809 120.500 -0.028 0.000 2.590 146 R HA 0.230 4.570 4.340 0.000 0.000 0.410 146 R C -0.529 175.690 176.300 -0.135 0.000 1.010 146 R CA -0.294 55.749 56.100 -0.095 0.000 1.155 146 R CB -0.256 29.980 30.300 -0.106 0.000 1.455 146 R HN 0.293 nan 8.270 nan 0.000 0.567 147 C N 3.060 122.269 119.300 -0.152 0.000 2.218 147 C HA 0.449 4.909 4.460 0.000 0.000 0.353 147 C C 0.738 175.593 174.990 -0.225 0.000 1.070 147 C CA -0.742 58.165 59.018 -0.185 0.000 1.497 147 C CB -1.649 25.911 27.740 -0.301 0.000 1.951 147 C HN 0.694 nan 8.230 nan 0.000 0.493 148 C N 4.608 123.805 119.300 -0.172 0.000 2.679 148 C HA 0.519 4.979 4.460 0.000 0.000 0.417 148 C C 0.862 175.876 174.990 0.040 0.000 1.302 148 C CA -0.340 58.565 59.018 -0.188 0.000 1.973 148 C CB -1.863 25.664 27.740 -0.356 0.000 2.715 148 C HN 1.011 nan 8.230 nan 0.000 0.628 149 C N 0.688 120.113 119.300 0.209 0.000 3.284 149 C HA 0.642 5.102 4.460 0.000 0.000 0.338 149 C C -0.911 174.327 174.990 0.413 0.000 1.237 149 C CA -0.719 58.492 59.018 0.322 0.000 1.276 149 C CB 0.148 27.953 27.740 0.108 0.000 1.601 149 C HN 0.630 nan 8.230 nan 0.000 0.494 150 V N 3.844 123.890 119.914 0.219 0.000 2.247 150 V HA 0.612 4.732 4.120 0.000 0.000 0.262 150 V C 1.294 177.432 176.094 0.073 0.000 1.096 150 V CA 1.511 63.872 62.300 0.101 0.000 0.895 150 V CB -0.407 31.383 31.823 -0.056 0.000 1.141 150 V HN 2.300 nan 8.190 nan 0.000 0.478 151 A N 4.639 127.511 122.820 0.086 0.000 5.150 151 A HA -0.371 3.949 4.320 0.000 0.000 0.324 151 A C 1.238 178.843 177.584 0.035 0.000 1.862 151 A CA 1.957 54.015 52.037 0.034 0.000 0.710 151 A CB -1.547 17.451 19.000 -0.003 0.000 1.367 151 A HN 0.864 nan 8.150 nan 0.000 0.380 152 D N -0.860 119.545 120.400 0.009 0.000 2.527 152 D HA 0.311 4.952 4.640 0.000 0.000 0.224 152 D C 0.703 177.004 176.300 0.000 0.000 1.217 152 D CA 0.182 54.186 54.000 0.006 0.000 0.819 152 D CB 0.147 40.945 40.800 -0.004 0.000 1.061 152 D HN 0.469 nan 8.370 nan 0.000 0.515 153 R N -0.106 120.395 120.500 0.000 0.000 2.834 153 R HA 0.169 4.509 4.340 0.000 0.000 0.362 153 R C 1.316 177.657 176.300 0.067 0.000 1.147 153 R CA 0.324 56.428 56.100 0.007 0.000 1.125 153 R CB 0.528 30.773 30.300 -0.090 0.000 1.361 153 R HN 0.119 nan 8.270 nan 0.000 0.598 154 T N -3.059 111.527 114.554 0.054 0.000 2.746 154 T HA -0.121 4.229 4.350 0.000 0.000 0.267 154 T C 2.054 176.790 174.700 0.059 0.000 1.039 154 T CA 1.572 63.701 62.100 0.048 0.000 1.142 154 T CB -0.155 68.756 68.868 0.072 0.000 0.866 154 T HN 0.364 nan 8.240 nan 0.000 0.444 155 G N 1.447 110.289 108.800 0.071 0.000 2.459 155 G HA2 -0.322 3.638 3.960 0.000 0.000 0.217 155 G HA3 -0.322 3.638 3.960 0.000 0.000 0.217 155 G C 1.584 176.531 174.900 0.080 0.000 1.183 155 G CA 1.066 46.203 45.100 0.062 0.000 0.776 155 G HN 0.745 nan 8.290 nan 0.000 0.552 156 H N 0.861 119.942 119.070 0.018 0.000 2.353 156 H HA -0.103 4.453 4.556 0.000 0.000 0.298 156 H C 2.538 177.952 175.328 0.144 0.000 1.103 156 H CA 2.023 58.118 56.048 0.079 0.000 1.293 156 H CB -0.532 29.280 29.762 0.084 0.000 1.372 156 H HN 0.333 nan 8.280 nan 0.000 0.501 157 S N -0.081 115.749 115.700 0.217 0.000 2.387 157 S HA -0.088 4.382 4.470 0.000 0.000 0.226 157 S C 2.298 176.898 174.600 -0.001 0.000 1.026 157 S CA 0.862 59.118 58.200 0.092 0.000 0.972 157 S CB -0.447 62.784 63.200 0.052 0.000 0.814 157 S HN 0.389 nan 8.310 nan 0.000 0.477 158 L N 1.553 122.772 121.223 -0.006 0.000 1.989 158 L HA 0.018 4.358 4.340 0.000 0.000 0.211 158 L C 2.141 179.028 176.870 0.030 0.000 1.071 158 L CA 1.882 56.729 54.840 0.011 0.000 0.749 158 L CB -1.057 41.026 42.059 0.039 0.000 0.890 158 L HN 0.411 nan 8.230 nan 0.000 0.431 159 L N -0.735 120.477 121.223 -0.019 0.000 2.046 159 L HA -0.228 4.112 4.340 0.000 0.000 0.208 159 L C 2.645 179.460 176.870 -0.092 0.000 1.077 159 L CA 1.839 56.636 54.840 -0.072 0.000 0.747 159 L CB -0.996 40.961 42.059 -0.169 0.000 0.896 159 L HN 0.434 nan 8.230 nan 0.000 0.432 160 H N -0.904 118.104 119.070 -0.103 0.000 2.321 160 H HA -0.124 4.432 4.556 0.000 0.000 0.300 160 H C 2.208 177.545 175.328 0.016 0.000 1.087 160 H CA 2.251 58.259 56.048 -0.066 0.000 1.319 160 H CB -0.483 29.152 29.762 -0.211 0.000 1.379 160 H HN 0.544 nan 8.280 nan 0.000 0.501 161 T N -0.648 113.974 114.554 0.113 0.000 2.777 161 T HA -0.079 4.271 4.350 0.000 0.000 0.266 161 T C 2.388 177.110 174.700 0.037 0.000 1.040 161 T CA 0.834 62.975 62.100 0.068 0.000 1.141 161 T CB -0.670 68.239 68.868 0.069 0.000 0.868 161 T HN 0.154 nan 8.240 nan 0.000 0.444 162 L N -0.690 120.593 121.223 0.100 0.000 2.017 162 L HA -0.017 4.323 4.340 0.000 0.000 0.208 162 L C 2.659 179.570 176.870 0.067 0.000 1.073 162 L CA 1.928 56.855 54.840 0.146 0.000 0.745 162 L CB -0.690 41.522 42.059 0.253 0.000 0.894 162 L HN 0.266 nan 8.230 nan 0.000 0.432 163 Y N 0.902 121.165 120.300 -0.062 0.000 2.097 163 Y HA -0.205 4.345 4.550 -0.000 0.000 0.282 163 Y C 2.329 178.145 175.900 -0.141 0.000 1.152 163 Y CA 1.527 59.544 58.100 -0.139 0.000 1.136 163 Y CB -0.912 37.425 38.460 -0.204 0.000 0.975 163 Y HN 0.078 nan 8.280 nan 0.000 0.498 164 G N 0.726 109.428 108.800 -0.162 0.000 2.529 164 G HA2 -0.327 3.633 3.960 0.000 0.000 0.219 164 G HA3 -0.327 3.633 3.960 0.000 0.000 0.219 164 G C 1.899 176.597 174.900 -0.337 0.000 1.177 164 G CA 1.021 45.969 45.100 -0.254 0.000 0.773 164 G HN 0.285 nan 8.290 nan 0.000 0.573 165 R N 0.832 121.118 120.500 -0.357 0.000 2.127 165 R HA -0.103 4.237 4.340 0.000 0.000 0.238 165 R C 3.059 179.062 176.300 -0.495 0.000 1.134 165 R CA 1.676 57.453 56.100 -0.538 0.000 0.975 165 R CB -0.588 29.150 30.300 -0.937 0.000 0.865 165 R HN 0.566 nan 8.270 nan 0.000 0.447 166 S N 0.084 115.546 115.700 -0.397 0.000 2.402 166 S HA -0.074 4.396 4.470 0.000 0.000 0.229 166 S C 1.920 176.471 174.600 -0.081 0.000 1.021 166 S CA 0.502 58.633 58.200 -0.115 0.000 0.974 166 S CB -0.192 63.009 63.200 0.002 0.000 0.800 166 S HN 0.102 nan 8.310 nan 0.000 0.484 167 L N 1.855 122.885 121.223 -0.323 0.000 2.349 167 L HA 0.140 4.480 4.340 0.000 0.000 0.220 167 L C 2.583 179.366 176.870 -0.144 0.000 1.130 167 L CA 1.322 56.005 54.840 -0.260 0.000 0.791 167 L CB -1.503 40.355 42.059 -0.334 0.000 0.918 167 L HN 0.434 nan 8.230 nan 0.000 0.444 168 R N -1.848 118.545 120.500 -0.179 0.000 2.280 168 R HA -0.081 4.259 4.340 0.000 0.000 0.207 168 R C -0.040 175.997 176.300 -0.438 0.000 1.043 168 R CA 0.446 56.355 56.100 -0.318 0.000 1.006 168 R CB 0.189 30.217 30.300 -0.452 0.000 0.885 168 R HN 0.164 nan 8.270 nan 0.000 0.467 169 Y N -0.853 119.423 120.300 -0.039 0.000 2.675 169 Y HA 0.132 4.682 4.550 0.000 0.000 0.328 169 Y C 0.702 176.639 175.900 0.062 0.000 1.092 169 Y CA -1.288 56.828 58.100 0.026 0.000 1.190 169 Y CB 0.752 39.253 38.460 0.068 0.000 1.350 169 Y HN 0.034 nan 8.280 nan 0.000 0.525 170 D N -0.959 119.589 120.400 0.247 0.000 2.413 170 D HA 0.019 4.659 4.640 0.000 0.000 0.237 170 D C -0.486 175.897 176.300 0.137 0.000 1.171 170 D CA 0.043 54.137 54.000 0.157 0.000 0.839 170 D CB -0.740 40.131 40.800 0.119 0.000 0.950 170 D HN 0.335 nan 8.370 nan 0.000 0.499 171 T N 0.669 115.305 114.554 0.136 0.000 2.901 171 T HA 0.143 4.493 4.350 0.000 0.000 0.301 171 T C 0.341 174.903 174.700 -0.230 0.000 1.012 171 T CA -0.114 61.912 62.100 -0.124 0.000 1.135 171 T CB 1.138 69.778 68.868 -0.380 0.000 0.936 171 T HN -0.020 nan 8.240 nan 0.000 0.539 172 S N 2.924 118.489 115.700 -0.225 0.000 2.399 172 S HA 0.272 4.742 4.470 0.000 0.000 0.301 172 S C -0.689 173.714 174.600 -0.328 0.000 1.093 172 S CA -0.609 57.503 58.200 -0.146 0.000 1.077 172 S CB -0.250 63.014 63.200 0.107 0.000 0.980 172 S HN 0.504 nan 8.310 nan 0.000 0.494 173 Y N 2.167 122.411 120.300 -0.093 0.000 2.477 173 Y HA 0.332 4.882 4.550 0.000 0.000 0.349 173 Y C -0.094 175.691 175.900 -0.190 0.000 0.977 173 Y CA -1.142 56.917 58.100 -0.067 0.000 1.214 173 Y CB -0.051 38.399 38.460 -0.015 0.000 1.124 173 Y HN 0.509 nan 8.280 nan 0.000 0.521 174 F N 3.144 122.922 119.950 -0.287 0.000 2.509 174 F HA 0.211 4.738 4.527 0.000 0.000 0.350 174 F C 0.221 175.844 175.800 -0.294 0.000 1.220 174 F CA -0.718 56.906 58.000 -0.627 0.000 1.151 174 F CB -0.285 38.037 39.000 -1.129 0.000 1.379 174 F HN 0.139 nan 8.300 nan 0.000 0.610 175 V N 3.324 123.286 119.914 0.079 0.000 2.614 175 V HA 0.065 4.185 4.120 0.000 0.000 0.291 175 V C 0.515 176.855 176.094 0.409 0.000 1.049 175 V CA -0.787 61.659 62.300 0.243 0.000 1.038 175 V CB 0.642 32.627 31.823 0.269 0.000 0.980 175 V HN 0.785 nan 8.190 nan 0.000 0.481 176 E N 2.151 122.546 120.200 0.325 0.000 2.340 176 E HA -0.228 4.122 4.350 0.000 0.000 0.240 176 E C -1.240 175.513 176.600 0.255 0.000 1.154 176 E CA 0.371 56.922 56.400 0.253 0.000 0.717 176 E CB -1.045 28.802 29.700 0.244 0.000 1.250 176 E HN 0.608 nan 8.360 nan 0.000 0.386 177 Y N -0.200 120.131 120.300 0.052 0.000 2.352 177 Y HA 0.463 5.013 4.550 -0.000 0.000 0.339 177 Y C -0.080 175.847 175.900 0.044 0.000 0.992 177 Y CA -1.188 56.940 58.100 0.046 0.000 1.100 177 Y CB 1.021 39.506 38.460 0.041 0.000 1.192 177 Y HN 0.151 nan 8.280 nan 0.000 0.458 178 F N 3.271 123.225 119.950 0.006 0.000 2.371 178 F HA 0.655 5.182 4.527 -0.000 0.000 0.363 178 F C 0.277 176.076 175.800 -0.002 0.000 1.122 178 F CA -0.952 57.036 58.000 -0.019 0.000 1.129 178 F CB 0.421 39.377 39.000 -0.075 0.000 1.173 178 F HN 0.603 nan 8.300 nan 0.000 0.489 179 A N 7.290 129.934 122.820 -0.293 0.000 2.451 179 A HA 0.294 4.614 4.320 0.000 0.000 0.266 179 A C 0.558 178.086 177.584 -0.093 0.000 1.119 179 A CA -0.170 51.765 52.037 -0.169 0.000 0.786 179 A CB 0.090 18.954 19.000 -0.226 0.000 1.061 179 A HN 1.037 nan 8.150 nan 0.000 0.503 180 L N 1.349 122.604 121.223 0.053 0.000 2.200 180 L HA 0.229 4.569 4.340 0.000 0.000 0.200 180 L C 0.313 177.204 176.870 0.035 0.000 1.072 180 L CA 0.640 55.543 54.840 0.106 0.000 0.787 180 L CB 0.006 42.122 42.059 0.095 0.000 0.957 180 L HN 0.616 nan 8.230 nan 0.000 0.459 181 D N -1.545 118.857 120.400 0.004 0.000 2.653 181 D HA 0.324 4.964 4.640 0.000 0.000 0.258 181 D C -1.503 174.784 176.300 -0.022 0.000 1.252 181 D CA -0.554 53.440 54.000 -0.011 0.000 0.777 181 D CB 2.757 43.556 40.800 -0.002 0.000 1.339 181 D HN -0.290 nan 8.370 nan 0.000 0.422 182 L N 0.805 122.012 121.223 -0.026 0.000 2.371 182 L HA 0.319 4.659 4.340 0.000 0.000 0.272 182 L C 0.139 176.999 176.870 -0.017 0.000 1.124 182 L CA -0.034 54.789 54.840 -0.029 0.000 0.816 182 L CB 0.536 42.575 42.059 -0.032 0.000 1.129 182 L HN 0.273 nan 8.230 nan 0.000 0.448 183 L N 4.647 125.862 121.223 -0.013 0.000 2.358 183 L HA 0.243 4.583 4.340 0.000 0.000 0.274 183 L C -0.091 176.777 176.870 -0.005 0.000 1.136 183 L CA -0.182 54.655 54.840 -0.004 0.000 0.970 183 L CB 0.248 42.309 42.059 0.003 0.000 1.314 183 L HN 0.585 nan 8.230 nan 0.000 0.427 184 M N 2.800 122.397 119.600 -0.006 0.000 2.314 184 M HA 0.314 4.794 4.480 0.000 0.000 0.342 184 M C -0.465 175.833 176.300 -0.004 0.000 1.171 184 M CA 0.116 55.412 55.300 -0.007 0.000 1.098 184 M CB 1.145 33.739 32.600 -0.010 0.000 1.559 184 M HN 0.289 nan 8.290 nan 0.000 0.459 185 E N 2.557 122.755 120.200 -0.004 0.000 2.404 185 E HA 0.256 4.606 4.350 0.000 0.000 0.298 185 E C -1.120 175.477 176.600 -0.004 0.000 0.908 185 E CA -0.249 56.149 56.400 -0.003 0.000 0.808 185 E CB 0.395 30.096 29.700 0.001 0.000 1.380 185 E HN 0.781 nan 8.360 nan 0.000 0.392 186 N N 2.957 121.654 118.700 -0.005 0.000 2.738 186 N HA -0.214 4.526 4.740 0.000 0.000 0.249 186 N C 0.527 176.031 175.510 -0.009 0.000 1.047 186 N CA 1.461 54.507 53.050 -0.007 0.000 0.707 186 N CB -1.189 37.295 38.487 -0.006 0.000 0.937 186 N HN 1.009 nan 8.380 nan 0.000 0.545 187 G N -0.770 108.024 108.800 -0.010 0.000 2.155 187 G HA2 -0.324 3.636 3.960 0.000 0.000 0.257 187 G HA3 -0.324 3.636 3.960 0.000 0.000 0.257 187 G C -0.190 174.699 174.900 -0.018 0.000 0.983 187 G CA 0.918 46.010 45.100 -0.014 0.000 0.676 187 G HN 0.611 nan 8.290 nan 0.000 0.528 188 E N -0.855 119.336 120.200 -0.014 0.000 2.222 188 E HA 0.466 4.816 4.350 0.000 0.000 0.267 188 E C -0.286 176.308 176.600 -0.010 0.000 0.884 188 E CA -0.774 55.618 56.400 -0.013 0.000 0.764 188 E CB 2.149 31.845 29.700 -0.007 0.000 1.169 188 E HN 0.229 nan 8.360 nan 0.000 0.413 189 C N 2.976 122.270 119.300 -0.010 0.000 2.435 189 C HA 0.310 4.770 4.460 0.000 0.000 0.375 189 C C 0.969 175.962 174.990 0.004 0.000 1.281 189 C CA -0.290 58.724 59.018 -0.007 0.000 1.963 189 C CB -0.493 27.241 27.740 -0.010 0.000 2.490 189 C HN 0.716 nan 8.230 nan 0.000 0.557 190 R N 3.299 123.802 120.500 0.005 0.000 2.437 190 R HA 0.370 4.710 4.340 0.000 0.000 0.257 190 R C 0.829 177.138 176.300 0.015 0.000 0.927 190 R CA 0.733 56.842 56.100 0.015 0.000 1.078 190 R CB 0.054 30.364 30.300 0.016 0.000 1.161 190 R HN 1.131 nan 8.270 nan 0.000 0.529 191 G N -0.051 108.748 108.800 -0.001 0.000 2.278 191 G HA2 0.006 3.966 3.960 0.000 0.000 0.265 191 G HA3 0.006 3.966 3.960 0.000 0.000 0.265 191 G C -1.332 173.548 174.900 -0.032 0.000 1.329 191 G CA -0.350 44.740 45.100 -0.017 0.000 1.017 191 G HN 0.177 nan 8.290 nan 0.000 0.472 192 V N -2.374 117.511 119.914 -0.048 0.000 3.130 192 V HA 0.905 5.025 4.120 0.000 0.000 0.310 192 V C -0.750 175.331 176.094 -0.021 0.000 1.158 192 V CA -1.063 61.207 62.300 -0.050 0.000 1.029 192 V CB 1.879 33.647 31.823 -0.091 0.000 1.057 192 V HN 1.818 nan 8.190 nan 0.000 0.436 193 I N 2.197 122.767 120.570 -0.000 0.000 2.436 193 I HA 0.945 5.115 4.170 0.000 0.000 0.289 193 I C 0.026 176.178 176.117 0.058 0.000 1.010 193 I CA -0.501 60.824 61.300 0.042 0.000 1.098 193 I CB 0.884 38.905 38.000 0.035 0.000 1.266 193 I HN 1.289 nan 8.210 nan 0.000 0.434 194 A N 6.314 129.203 122.820 0.116 0.000 2.485 194 A HA 0.830 5.150 4.320 0.000 0.000 0.292 194 A C -1.835 175.858 177.584 0.182 0.000 1.147 194 A CA -0.668 51.455 52.037 0.144 0.000 0.750 194 A CB 1.381 20.470 19.000 0.147 0.000 1.331 194 A HN 0.827 nan 8.150 nan 0.000 0.419 195 L N 0.972 122.278 121.223 0.139 0.000 2.294 195 L HA 0.534 4.874 4.340 0.000 0.000 0.283 195 L C -0.215 176.570 176.870 -0.142 0.000 1.015 195 L CA -0.522 54.351 54.840 0.056 0.000 0.831 195 L CB 0.765 42.845 42.059 0.035 0.000 1.217 195 L HN 0.744 nan 8.230 nan 0.000 0.420 196 C N 6.765 125.884 119.300 -0.301 0.000 2.573 196 C HA 0.205 4.665 4.460 0.000 0.000 0.369 196 C C 2.001 176.759 174.990 -0.387 0.000 1.205 196 C CA -0.400 58.130 59.018 -0.814 0.000 1.535 196 C CB -1.910 25.420 27.740 -0.682 0.000 2.159 196 C HN 0.967 nan 8.230 nan 0.000 0.558 197 I N 2.968 123.311 120.570 -0.379 0.000 2.381 197 I HA -0.225 3.945 4.170 0.000 0.000 0.255 197 I C 2.503 178.464 176.117 -0.259 0.000 1.140 197 I CA 1.792 62.860 61.300 -0.386 0.000 1.404 197 I CB -0.363 37.251 38.000 -0.643 0.000 1.075 197 I HN 0.785 nan 8.210 nan 0.000 0.433 198 E N 1.154 121.302 120.200 -0.086 0.000 2.028 198 E HA -0.264 4.086 4.350 0.000 0.000 0.191 198 E C 1.147 177.826 176.600 0.132 0.000 0.988 198 E CA 1.811 58.303 56.400 0.153 0.000 0.799 198 E CB 0.117 29.923 29.700 0.177 0.000 0.755 198 E HN 0.675 nan 8.360 nan 0.000 0.447 199 D N -2.479 117.964 120.400 0.071 0.000 2.469 199 D HA 0.147 4.787 4.640 0.000 0.000 0.215 199 D C 0.986 177.327 176.300 0.068 0.000 1.154 199 D CA 0.531 54.582 54.000 0.085 0.000 0.832 199 D CB 0.629 41.493 40.800 0.107 0.000 1.008 199 D HN 0.279 nan 8.370 nan 0.000 0.506 200 G N 0.629 109.450 108.800 0.035 0.000 2.175 200 G HA2 -0.314 3.646 3.960 0.000 0.000 0.265 200 G HA3 -0.314 3.646 3.960 0.000 0.000 0.265 200 G C 0.506 175.484 174.900 0.129 0.000 0.979 200 G CA 0.695 45.829 45.100 0.058 0.000 0.663 200 G HN 0.856 nan 8.290 nan 0.000 0.533 201 S N -0.836 114.946 115.700 0.137 0.000 2.614 201 S HA 0.718 5.188 4.470 0.000 0.000 0.265 201 S C 0.009 174.738 174.600 0.215 0.000 1.303 201 S CA -0.485 57.817 58.200 0.170 0.000 1.000 201 S CB 1.764 65.060 63.200 0.160 0.000 0.935 201 S HN 0.513 nan 8.310 nan 0.000 0.551 202 I N 1.728 122.385 120.570 0.143 0.000 2.404 202 I HA 0.388 4.558 4.170 0.000 0.000 0.293 202 I C 0.112 176.284 176.117 0.092 0.000 0.992 202 I CA -0.271 61.127 61.300 0.164 0.000 1.149 202 I CB 1.401 39.451 38.000 0.084 0.000 1.315 202 I HN 0.664 nan 8.210 nan 0.000 0.446 203 H N 5.771 124.948 119.070 0.179 0.000 2.589 203 H HA 0.503 5.059 4.556 0.000 0.000 0.351 203 H C -0.584 174.844 175.328 0.166 0.000 1.074 203 H CA -0.936 55.258 56.048 0.245 0.000 1.203 203 H CB 1.855 31.906 29.762 0.481 0.000 1.558 203 H HN 0.343 nan 8.280 nan 0.000 0.522 204 R N 2.976 123.611 120.500 0.225 0.000 2.346 204 R HA 0.251 4.591 4.340 0.000 0.000 0.309 204 R C -0.608 175.792 176.300 0.166 0.000 1.119 204 R CA -0.697 55.486 56.100 0.138 0.000 1.112 204 R CB 0.099 30.445 30.300 0.076 0.000 1.132 204 R HN 0.351 nan 8.270 nan 0.000 0.538 205 I N 4.282 124.923 120.570 0.117 0.000 2.308 205 I HA 0.128 4.298 4.170 0.000 0.000 0.293 205 I C 0.690 176.850 176.117 0.071 0.000 1.078 205 I CA -0.065 61.294 61.300 0.098 0.000 1.292 205 I CB 0.206 38.069 38.000 -0.228 0.000 1.423 205 I HN 0.353 nan 8.210 nan 0.000 0.493 206 R N 5.651 126.236 120.500 0.141 0.000 2.532 206 R HA 0.976 5.316 4.340 0.000 0.000 0.295 206 R C -0.813 175.565 176.300 0.130 0.000 0.968 206 R CA -0.744 55.415 56.100 0.097 0.000 0.916 206 R CB 1.831 32.178 30.300 0.078 0.000 1.124 206 R HN 0.547 nan 8.270 nan 0.000 0.463 207 A N 1.980 124.850 122.820 0.084 0.000 2.533 207 A HA 0.401 4.721 4.320 0.000 0.000 0.293 207 A C 0.080 177.703 177.584 0.065 0.000 1.228 207 A CA -0.928 51.167 52.037 0.097 0.000 0.689 207 A CB 1.461 20.514 19.000 0.087 0.000 1.303 207 A HN 0.862 nan 8.150 nan 0.000 0.444 208 R N -0.552 119.990 120.500 0.071 0.000 2.173 208 R HA 0.117 4.457 4.340 0.000 0.000 0.208 208 R C -0.499 175.829 176.300 0.046 0.000 1.035 208 R CA 0.780 56.917 56.100 0.062 0.000 1.004 208 R CB 0.090 30.441 30.300 0.085 0.000 0.917 208 R HN 0.708 nan 8.270 nan 0.000 0.462 209 N N -0.511 118.201 118.700 0.020 0.000 2.242 209 N HA 0.220 4.960 4.740 0.000 0.000 0.292 209 N C -1.604 173.889 175.510 -0.028 0.000 1.125 209 N CA -0.380 52.674 53.050 0.005 0.000 0.783 209 N CB 2.538 40.972 38.487 -0.088 0.000 1.558 209 N HN -0.145 nan 8.380 nan 0.000 0.472 210 T N 0.443 115.005 114.554 0.013 0.000 2.848 210 T HA 0.458 4.808 4.350 0.000 0.000 0.285 210 T C -0.469 174.235 174.700 0.005 0.000 0.995 210 T CA -0.461 61.623 62.100 -0.026 0.000 0.970 210 T CB 1.791 70.644 68.868 -0.025 0.000 0.976 210 T HN 0.094 nan 8.240 nan 0.000 0.441 211 V N 3.448 123.325 119.914 -0.061 0.000 2.378 211 V HA 0.420 4.540 4.120 0.000 0.000 0.288 211 V C -0.195 175.865 176.094 -0.056 0.000 1.016 211 V CA -0.820 61.455 62.300 -0.041 0.000 0.840 211 V CB 1.724 33.477 31.823 -0.116 0.000 0.994 211 V HN 0.726 nan 8.190 nan 0.000 0.431 212 V N 4.419 124.313 119.914 -0.034 0.000 2.348 212 V HA 0.666 4.786 4.120 0.000 0.000 0.270 212 V C 0.625 176.689 176.094 -0.050 0.000 1.037 212 V CA 0.008 62.274 62.300 -0.056 0.000 0.872 212 V CB 1.241 33.029 31.823 -0.057 0.000 1.002 212 V HN 0.996 nan 8.190 nan 0.000 0.464 213 A N 2.997 125.782 122.820 -0.059 0.000 3.355 213 A HA 0.454 4.774 4.320 0.000 0.000 0.290 213 A C 0.900 178.451 177.584 -0.054 0.000 0.973 213 A CA 0.149 52.159 52.037 -0.046 0.000 0.933 213 A CB 0.299 19.277 19.000 -0.036 0.000 1.138 213 A HN 0.802 nan 8.150 nan 0.000 0.490 214 T N -2.342 112.173 114.554 -0.065 0.000 3.144 214 T HA 0.470 4.820 4.350 0.000 0.000 0.249 214 T C 1.159 175.821 174.700 -0.064 0.000 1.089 214 T CA 0.803 62.858 62.100 -0.075 0.000 0.989 214 T CB -0.295 68.515 68.868 -0.097 0.000 0.992 214 T HN 2.123 nan 8.240 nan 0.000 0.540 215 G N 0.200 108.963 108.800 -0.060 0.000 2.693 215 G HA2 0.199 4.159 3.960 0.000 0.000 0.226 215 G HA3 0.199 4.159 3.960 0.000 0.000 0.226 215 G C 0.153 174.982 174.900 -0.118 0.000 1.354 215 G CA -0.529 44.519 45.100 -0.086 0.000 0.873 215 G HN 0.898 nan 8.290 nan 0.000 0.562 216 G N -1.955 106.721 108.800 -0.206 0.000 2.543 216 G HA2 0.711 4.671 3.960 0.000 0.000 0.267 216 G HA3 0.711 4.671 3.960 0.000 0.000 0.267 216 G C 0.046 174.866 174.900 -0.132 0.000 1.406 216 G CA 0.460 45.395 45.100 -0.276 0.000 1.048 216 G HN 1.974 nan 8.290 nan 0.000 0.548 217 Y N -2.409 117.798 120.300 -0.156 0.000 2.658 217 Y HA 0.500 5.050 4.550 0.000 0.000 0.273 217 Y C 1.394 177.263 175.900 -0.052 0.000 0.992 217 Y CA -0.654 57.398 58.100 -0.079 0.000 1.105 217 Y CB 0.029 38.467 38.460 -0.035 0.000 1.188 217 Y HN 0.508 nan 8.280 nan 0.000 0.616 218 G N 1.393 110.069 108.800 -0.207 0.000 2.469 218 G HA2 -0.224 3.736 3.960 0.000 0.000 0.220 218 G HA3 -0.224 3.736 3.960 0.000 0.000 0.220 218 G C 1.651 176.586 174.900 0.059 0.000 1.136 218 G CA 0.428 45.427 45.100 -0.169 0.000 0.759 218 G HN 0.283 nan 8.290 nan 0.000 0.562 219 R N 0.804 121.351 120.500 0.078 0.000 2.397 219 R HA -0.072 4.268 4.340 0.000 0.000 0.213 219 R C 2.574 178.998 176.300 0.207 0.000 1.102 219 R CA 1.372 57.553 56.100 0.135 0.000 1.040 219 R CB -1.145 29.227 30.300 0.119 0.000 0.844 219 R HN 0.614 nan 8.270 nan 0.000 0.478 220 T N -3.007 111.724 114.554 0.295 0.000 3.035 220 T HA -0.040 4.310 4.350 0.000 0.000 0.268 220 T C 0.720 175.545 174.700 0.208 0.000 1.109 220 T CA 0.663 62.922 62.100 0.265 0.000 1.119 220 T CB -0.118 68.961 68.868 0.352 0.000 0.900 220 T HN -0.006 nan 8.240 nan 0.000 0.503 221 Y N -0.927 119.452 120.300 0.132 0.000 2.565 221 Y HA 0.543 5.093 4.550 0.000 0.000 0.325 221 Y C 0.888 176.912 175.900 0.206 0.000 1.221 221 Y CA -2.327 55.870 58.100 0.162 0.000 1.316 221 Y CB 0.487 39.015 38.460 0.112 0.000 1.404 221 Y HN -0.065 nan 8.280 nan 0.000 0.527 222 F N -0.177 119.922 119.950 0.248 0.000 2.262 222 F HA 0.165 4.692 4.527 0.000 0.000 0.292 222 F C 0.859 176.749 175.800 0.149 0.000 1.081 222 F CA 0.759 58.858 58.000 0.164 0.000 1.355 222 F CB 0.108 39.191 39.000 0.138 0.000 1.069 222 F HN 0.237 nan 8.300 nan 0.000 0.506 223 S N 1.058 116.817 115.700 0.099 0.000 2.640 223 S HA 0.612 5.082 4.470 0.000 0.000 0.320 223 S C -0.778 173.825 174.600 0.006 0.000 1.097 223 S CA -0.504 57.665 58.200 -0.052 0.000 1.092 223 S CB -0.108 63.116 63.200 0.040 0.000 0.988 223 S HN 0.460 nan 8.310 nan 0.000 0.470 224 C N 2.375 121.640 119.300 -0.057 0.000 3.173 224 C HA 0.753 5.213 4.460 0.000 0.000 0.310 224 C C 1.517 176.467 174.990 -0.067 0.000 1.306 224 C CA -0.022 58.951 59.018 -0.075 0.000 1.426 224 C CB 0.671 28.353 27.740 -0.097 0.000 1.800 224 C HN 0.797 nan 8.230 nan 0.000 0.470 225 T N -0.934 113.603 114.554 -0.028 0.000 3.081 225 T HA 0.162 4.512 4.350 0.000 0.000 0.255 225 T C 0.710 175.429 174.700 0.031 0.000 1.113 225 T CA 0.895 63.002 62.100 0.011 0.000 1.082 225 T CB -0.619 68.333 68.868 0.140 0.000 0.939 225 T HN 1.230 nan 8.240 nan 0.000 0.506 226 S N 1.354 117.038 115.700 -0.026 0.000 2.603 226 S HA 0.716 5.186 4.470 0.000 0.000 0.268 226 S C 0.508 175.095 174.600 -0.021 0.000 1.317 226 S CA -0.727 57.463 58.200 -0.016 0.000 1.012 226 S CB 0.845 63.849 63.200 -0.327 0.000 0.926 226 S HN 0.649 nan 8.310 nan 0.000 0.539 227 A N 0.930 123.802 122.820 0.087 0.000 2.346 227 A HA 0.275 4.595 4.320 0.000 0.000 0.252 227 A C 1.157 178.709 177.584 -0.053 0.000 1.089 227 A CA -0.419 51.618 52.037 -0.000 0.000 0.797 227 A CB -0.384 18.711 19.000 0.158 0.000 1.047 227 A HN 0.995 nan 8.150 nan 0.000 0.494 228 H N 0.397 119.508 119.070 0.067 0.000 2.543 228 H HA -0.090 4.466 4.556 -0.000 0.000 0.286 228 H C 1.957 177.326 175.328 0.068 0.000 1.037 228 H CA 1.937 58.022 56.048 0.062 0.000 1.250 228 H CB -0.406 29.398 29.762 0.070 0.000 1.373 228 H HN 0.812 nan 8.280 nan 0.000 0.580 229 T N -2.704 111.949 114.554 0.165 0.000 3.081 229 T HA 0.064 4.414 4.350 0.000 0.000 0.250 229 T C 1.102 175.843 174.700 0.067 0.000 1.100 229 T CA -0.204 61.973 62.100 0.129 0.000 1.038 229 T CB -0.030 68.913 68.868 0.125 0.000 0.962 229 T HN -0.042 nan 8.240 nan 0.000 0.516 230 S N 3.308 119.015 115.700 0.012 0.000 3.900 230 S HA 0.235 4.705 4.470 0.000 0.000 0.248 230 S C 1.079 175.691 174.600 0.021 0.000 1.310 230 S CA -0.205 57.961 58.200 -0.057 0.000 0.915 230 S CB -0.365 62.712 63.200 -0.205 0.000 1.588 230 S HN 0.737 nan 8.310 nan 0.000 0.472 231 T N -1.599 112.992 114.554 0.062 0.000 3.215 231 T HA 0.383 4.733 4.350 0.000 0.000 0.271 231 T C 1.222 175.986 174.700 0.107 0.000 1.012 231 T CA -0.011 62.153 62.100 0.107 0.000 0.899 231 T CB 0.089 69.034 68.868 0.129 0.000 1.089 231 T HN 0.623 nan 8.240 nan 0.000 0.552 232 G N 2.306 111.171 108.800 0.108 0.000 2.379 232 G HA2 -0.273 3.687 3.960 0.000 0.000 0.297 232 G HA3 -0.273 3.687 3.960 0.000 0.000 0.297 232 G C 0.462 175.375 174.900 0.021 0.000 1.004 232 G CA 0.446 45.608 45.100 0.103 0.000 0.921 232 G HN 0.537 nan 8.290 nan 0.000 0.511 233 D N -0.147 120.247 120.400 -0.009 0.000 2.218 233 D HA -0.051 4.589 4.640 0.000 0.000 0.204 233 D C 2.377 178.628 176.300 -0.082 0.000 0.976 233 D CA 1.541 55.510 54.000 -0.052 0.000 0.853 233 D CB -0.531 40.163 40.800 -0.176 0.000 0.939 233 D HN 0.537 nan 8.370 nan 0.000 0.481 234 G N 0.060 108.811 108.800 -0.081 0.000 2.396 234 G HA2 -0.187 3.773 3.960 0.000 0.000 0.214 234 G HA3 -0.187 3.773 3.960 0.000 0.000 0.214 234 G C 1.689 176.550 174.900 -0.064 0.000 1.166 234 G CA 1.105 46.156 45.100 -0.081 0.000 0.793 234 G HN 0.212 nan 8.290 nan 0.000 0.533 235 T N 2.012 116.537 114.554 -0.049 0.000 2.684 235 T HA -0.069 4.281 4.350 0.000 0.000 0.267 235 T C 2.818 177.472 174.700 -0.076 0.000 1.036 235 T CA 1.638 63.700 62.100 -0.063 0.000 1.148 235 T CB -0.466 68.362 68.868 -0.066 0.000 0.863 235 T HN 0.359 nan 8.240 nan 0.000 0.436 236 A N 1.499 124.282 122.820 -0.063 0.000 1.892 236 A HA -0.155 4.165 4.320 0.000 0.000 0.218 236 A C 2.375 179.936 177.584 -0.038 0.000 1.188 236 A CA 1.956 53.966 52.037 -0.045 0.000 0.631 236 A CB -0.826 18.166 19.000 -0.013 0.000 0.822 236 A HN 0.476 nan 8.150 nan 0.000 0.447 237 M N -0.958 118.617 119.600 -0.041 0.000 2.065 237 M HA -0.171 4.309 4.480 0.000 0.000 0.259 237 M C 2.140 178.413 176.300 -0.044 0.000 1.069 237 M CA 1.765 57.041 55.300 -0.039 0.000 1.110 237 M CB -0.562 32.007 32.600 -0.053 0.000 1.328 237 M HN 0.251 nan 8.290 nan 0.000 0.405 238 V N -0.027 119.852 119.914 -0.059 0.000 2.332 238 V HA -0.293 3.827 4.120 0.000 0.000 0.248 238 V C 2.326 178.379 176.094 -0.067 0.000 1.055 238 V CA 2.351 64.610 62.300 -0.067 0.000 1.038 238 V CB -0.984 30.787 31.823 -0.087 0.000 0.651 238 V HN 0.541 nan 8.190 nan 0.000 0.450 239 T N -0.628 113.882 114.554 -0.072 0.000 2.708 239 T HA -0.203 4.147 4.350 0.000 0.000 0.266 239 T C 2.043 176.724 174.700 -0.031 0.000 1.037 239 T CA 1.440 63.499 62.100 -0.068 0.000 1.146 239 T CB -0.266 68.556 68.868 -0.076 0.000 0.865 239 T HN 0.390 nan 8.240 nan 0.000 0.435 240 R N 0.745 121.232 120.500 -0.022 0.000 2.152 240 R HA 0.059 4.399 4.340 0.000 0.000 0.232 240 R C 2.427 178.724 176.300 -0.004 0.000 1.117 240 R CA 1.020 57.117 56.100 -0.005 0.000 0.981 240 R CB -0.254 30.046 30.300 -0.001 0.000 0.870 240 R HN 0.325 nan 8.270 nan 0.000 0.451 241 A N -0.241 122.572 122.820 -0.011 0.000 2.208 241 A HA 0.169 4.489 4.320 0.000 0.000 0.209 241 A C 1.427 179.017 177.584 0.009 0.000 1.161 241 A CA 0.891 52.923 52.037 -0.007 0.000 0.782 241 A CB 0.009 18.998 19.000 -0.018 0.000 0.816 241 A HN 0.441 nan 8.150 nan 0.000 0.477 242 G N -1.541 107.272 108.800 0.022 0.000 2.157 242 G HA2 -0.201 3.759 3.960 0.000 0.000 0.248 242 G HA3 -0.201 3.759 3.960 0.000 0.000 0.248 242 G C 0.114 175.086 174.900 0.119 0.000 0.979 242 G CA 0.273 45.418 45.100 0.074 0.000 0.650 242 G HN 0.415 nan 8.290 nan 0.000 0.529 243 L N 1.943 123.178 121.223 0.020 0.000 2.439 243 L HA 0.491 4.831 4.340 0.000 0.000 0.261 243 L C -1.278 175.453 176.870 -0.232 0.000 1.153 243 L CA -2.088 52.730 54.840 -0.037 0.000 0.808 243 L CB 0.901 42.921 42.059 -0.064 0.000 1.126 243 L HN 0.001 nan 8.230 nan 0.000 0.460 244 P HA 0.187 nan 4.420 nan 0.000 0.279 244 P C -1.296 175.763 177.300 -0.401 0.000 1.252 244 P CA -0.515 62.128 63.100 -0.761 0.000 0.811 244 P CB 1.423 32.642 31.700 -0.800 0.000 1.035 245 C N 1.167 120.245 119.300 -0.370 0.000 2.493 245 C HA 0.506 4.966 4.460 0.000 0.000 0.326 245 C C 0.233 175.118 174.990 -0.175 0.000 1.200 245 C CA -0.170 58.719 59.018 -0.215 0.000 1.739 245 C CB 1.399 29.037 27.740 -0.171 0.000 2.300 245 C HN 0.582 nan 8.230 nan 0.000 0.500 246 Q N 0.937 120.667 119.800 -0.116 0.000 2.306 246 Q HA 0.230 4.570 4.340 0.000 0.000 0.265 246 Q C -0.549 175.465 176.000 0.023 0.000 1.022 246 Q CA -0.263 55.496 55.803 -0.074 0.000 0.853 246 Q CB 0.931 29.580 28.738 -0.148 0.000 1.327 246 Q HN 0.790 nan 8.270 nan 0.000 0.449 247 D N 3.102 123.575 120.400 0.121 0.000 2.745 247 D HA -0.231 4.409 4.640 0.000 0.000 0.225 247 D C 0.613 177.106 176.300 0.322 0.000 1.212 247 D CA 0.721 54.901 54.000 0.299 0.000 0.632 247 D CB -0.570 40.345 40.800 0.191 0.000 0.994 247 D HN 0.633 nan 8.370 nan 0.000 0.407 248 L N 0.082 121.435 121.223 0.217 0.000 2.456 248 L HA -0.147 4.193 4.340 0.000 0.000 0.224 248 L C 2.658 179.695 176.870 0.278 0.000 1.148 248 L CA 0.924 55.909 54.840 0.240 0.000 0.825 248 L CB -0.308 41.824 42.059 0.123 0.000 0.937 248 L HN 0.252 nan 8.230 nan 0.000 0.450 249 E N 0.671 121.005 120.200 0.224 0.000 2.107 249 E HA -0.188 4.162 4.350 0.000 0.000 0.191 249 E C 0.469 177.128 176.600 0.099 0.000 0.982 249 E CA 0.538 57.001 56.400 0.105 0.000 0.809 249 E CB -0.434 29.182 29.700 -0.140 0.000 0.756 249 E HN 0.298 nan 8.360 nan 0.000 0.459 250 F N 2.630 122.663 119.950 0.139 0.000 2.552 250 F HA 0.106 4.633 4.527 -0.000 0.000 0.342 250 F C 0.004 175.863 175.800 0.099 0.000 1.257 250 F CA -0.065 58.022 58.000 0.146 0.000 1.058 250 F CB 0.201 39.276 39.000 0.124 0.000 1.288 250 F HN -0.251 nan 8.300 nan 0.000 0.627 251 V N 3.585 123.622 119.914 0.204 0.000 2.398 251 V HA 0.218 4.338 4.120 0.000 0.000 0.286 251 V C 0.074 176.180 176.094 0.021 0.000 1.026 251 V CA -1.003 61.304 62.300 0.011 0.000 0.868 251 V CB 1.540 33.301 31.823 -0.104 0.000 0.982 251 V HN 0.566 nan 8.190 nan 0.000 0.443 252 Q N 3.622 123.400 119.800 -0.037 0.000 2.288 252 Q HA 0.371 4.711 4.340 0.000 0.000 0.258 252 Q C -1.548 174.408 176.000 -0.073 0.000 0.957 252 Q CA -0.346 55.494 55.803 0.062 0.000 0.919 252 Q CB 0.616 29.450 28.738 0.159 0.000 1.185 252 Q HN 0.616 nan 8.270 nan 0.000 0.408 253 F N 3.357 123.302 119.950 -0.008 0.000 2.385 253 F HA 0.206 4.733 4.527 -0.000 0.000 0.360 253 F C 0.512 176.305 175.800 -0.012 0.000 1.122 253 F CA -0.559 57.428 58.000 -0.022 0.000 1.090 253 F CB 0.838 39.794 39.000 -0.075 0.000 1.150 253 F HN 0.530 nan 8.300 nan 0.000 0.472 254 H N 5.545 124.624 119.070 0.014 0.000 2.646 254 H HA 0.132 4.688 4.556 -0.000 0.000 0.325 254 H C -1.823 173.463 175.328 -0.070 0.000 1.075 254 H CA -1.586 54.380 56.048 -0.136 0.000 1.421 254 H CB 1.820 31.322 29.762 -0.432 0.000 1.461 254 H HN 0.345 nan 8.280 nan 0.000 0.525 255 P HA -0.130 nan 4.420 nan 0.000 0.213 255 P C 0.209 177.419 177.300 -0.149 0.000 1.170 255 P CA 1.717 64.648 63.100 -0.282 0.000 0.898 255 P CB -0.025 31.454 31.700 -0.368 0.000 0.787 256 T N -1.868 112.567 114.554 -0.198 0.000 2.782 256 T HA 0.600 4.950 4.350 0.000 0.000 0.298 256 T C 0.264 175.036 174.700 0.119 0.000 0.944 256 T CA -0.631 61.472 62.100 0.004 0.000 1.001 256 T CB 0.031 68.906 68.868 0.012 0.000 0.932 256 T HN 0.127 nan 8.240 nan 0.000 0.524 257 G N 4.235 113.088 108.800 0.088 0.000 2.704 257 G HA2 0.504 4.464 3.960 0.000 0.000 0.280 257 G HA3 0.504 4.464 3.960 0.000 0.000 0.280 257 G C -0.220 174.731 174.900 0.085 0.000 1.499 257 G CA -1.038 44.109 45.100 0.079 0.000 1.146 257 G HN 0.896 nan 8.290 nan 0.000 0.558 258 I N 2.451 123.054 120.570 0.055 0.000 3.089 258 I HA -0.261 3.909 4.170 0.000 0.000 0.321 258 I C 1.712 177.931 176.117 0.171 0.000 1.222 258 I CA 0.090 61.447 61.300 0.094 0.000 1.452 258 I CB 0.441 38.478 38.000 0.061 0.000 1.321 258 I HN 0.711 nan 8.210 nan 0.000 0.539 259 Y N 6.900 127.287 120.300 0.146 0.000 2.228 259 Y HA -0.213 4.337 4.550 -0.000 0.000 0.285 259 Y C 1.790 177.775 175.900 0.141 0.000 1.178 259 Y CA 1.541 59.765 58.100 0.206 0.000 1.202 259 Y CB -0.453 38.237 38.460 0.383 0.000 0.974 259 Y HN 0.674 nan 8.280 nan 0.000 0.527 260 G N -0.271 108.539 108.800 0.017 0.000 2.632 260 G HA2 -0.040 3.920 3.960 0.000 0.000 0.183 260 G HA3 -0.040 3.920 3.960 0.000 0.000 0.183 260 G C 1.645 176.495 174.900 -0.083 0.000 1.592 260 G CA 0.885 45.941 45.100 -0.073 0.000 0.880 260 G HN 0.534 nan 8.290 nan 0.000 0.399 261 A N -1.131 121.695 122.820 0.012 0.000 2.172 261 A HA 0.389 4.709 4.320 0.000 0.000 0.216 261 A C 2.058 179.582 177.584 -0.099 0.000 1.154 261 A CA 1.651 53.673 52.037 -0.026 0.000 0.701 261 A CB -0.676 18.369 19.000 0.075 0.000 0.789 261 A HN 2.182 nan 8.150 nan 0.000 0.465 262 G N -2.251 106.501 108.800 -0.079 0.000 2.157 262 G HA2 -0.261 3.699 3.960 0.000 0.000 0.248 262 G HA3 -0.261 3.699 3.960 0.000 0.000 0.248 262 G C 0.293 175.136 174.900 -0.095 0.000 0.979 262 G CA -0.060 44.998 45.100 -0.068 0.000 0.650 262 G HN 0.639 nan 8.290 nan 0.000 0.529 263 C N 0.191 119.385 119.300 -0.176 0.000 2.702 263 C HA 0.481 4.941 4.460 0.000 0.000 0.411 263 C C 1.109 176.017 174.990 -0.138 0.000 1.286 263 C CA 0.034 58.904 59.018 -0.247 0.000 1.979 263 C CB 0.210 27.640 27.740 -0.516 0.000 2.728 263 C HN 0.706 nan 8.230 nan 0.000 0.652 264 L N 2.906 124.057 121.223 -0.121 0.000 2.379 264 L HA 0.666 5.006 4.340 0.000 0.000 0.269 264 L C -0.562 176.271 176.870 -0.062 0.000 1.084 264 L CA 0.007 54.798 54.840 -0.082 0.000 0.802 264 L CB 0.734 42.726 42.059 -0.112 0.000 1.175 264 L HN 0.541 nan 8.230 nan 0.000 0.448 265 I N 3.474 124.037 120.570 -0.011 0.000 2.537 265 I HA 0.218 4.388 4.170 0.000 0.000 0.276 265 I C 0.234 176.393 176.117 0.071 0.000 1.063 265 I CA -0.194 61.118 61.300 0.019 0.000 1.144 265 I CB 0.964 38.979 38.000 0.026 0.000 1.252 265 I HN 0.697 nan 8.210 nan 0.000 0.480 266 T N 3.054 117.642 114.554 0.056 0.000 2.746 266 T HA -0.206 4.144 4.350 0.000 0.000 0.267 266 T C 1.352 176.178 174.700 0.209 0.000 1.022 266 T CA 0.984 63.158 62.100 0.123 0.000 1.144 266 T CB 0.348 69.288 68.868 0.120 0.000 1.061 266 T HN 0.825 nan 8.240 nan 0.000 0.470 267 E N 2.500 122.882 120.200 0.304 0.000 2.478 267 E HA -0.009 4.341 4.350 0.000 0.000 0.198 267 E C 2.043 178.919 176.600 0.459 0.000 1.046 267 E CA 0.822 57.358 56.400 0.227 0.000 0.870 267 E CB -0.746 28.909 29.700 -0.075 0.000 0.818 267 E HN 0.914 nan 8.360 nan 0.000 0.527 268 G N 0.576 109.709 108.800 0.554 0.000 2.462 268 G HA2 -0.292 3.668 3.960 0.000 0.000 0.220 268 G HA3 -0.292 3.668 3.960 0.000 0.000 0.220 268 G C 1.534 176.546 174.900 0.186 0.000 1.121 268 G CA 0.867 46.163 45.100 0.326 0.000 0.758 268 G HN 0.410 nan 8.290 nan 0.000 0.559 269 C N 0.128 119.518 119.300 0.150 0.000 2.413 269 C HA -0.019 4.441 4.460 0.000 0.000 0.276 269 C C 2.928 177.971 174.990 0.087 0.000 1.236 269 C CA 0.841 59.911 59.018 0.087 0.000 1.735 269 C CB -0.938 26.844 27.740 0.069 0.000 2.031 269 C HN 0.479 nan 8.230 nan 0.000 0.474 270 R N 0.659 121.222 120.500 0.104 0.000 2.075 270 R HA -0.049 4.291 4.340 0.000 0.000 0.232 270 R C 2.527 178.895 176.300 0.113 0.000 1.126 270 R CA 1.621 57.771 56.100 0.083 0.000 0.963 270 R CB -0.759 29.561 30.300 0.033 0.000 0.858 270 R HN 0.640 nan 8.270 nan 0.000 0.435 271 G N 0.915 109.827 108.800 0.187 0.000 2.422 271 G HA2 -0.214 3.746 3.960 0.000 0.000 0.218 271 G HA3 -0.214 3.746 3.960 0.000 0.000 0.218 271 G C 1.215 176.187 174.900 0.119 0.000 1.140 271 G CA 0.338 45.561 45.100 0.205 0.000 0.775 271 G HN 0.189 nan 8.290 nan 0.000 0.545 272 E N -0.060 120.193 120.200 0.089 0.000 2.358 272 E HA 0.125 4.475 4.350 0.000 0.000 0.195 272 E C 1.951 178.563 176.600 0.021 0.000 1.010 272 E CA 0.820 57.247 56.400 0.045 0.000 0.856 272 E CB 0.370 30.089 29.700 0.031 0.000 0.795 272 E HN 0.490 nan 8.360 nan 0.000 0.504 273 G N 0.082 108.903 108.800 0.034 0.000 3.110 273 G HA2 -0.152 3.808 3.960 0.000 0.000 0.205 273 G HA3 -0.152 3.808 3.960 0.000 0.000 0.205 273 G C 0.777 175.703 174.900 0.044 0.000 1.019 273 G CA -0.193 44.920 45.100 0.022 0.000 0.826 273 G HN 0.460 nan 8.290 nan 0.000 0.481 274 G N 0.620 109.430 108.800 0.016 0.000 2.720 274 G HA2 0.437 4.397 3.960 0.000 0.000 0.237 274 G HA3 0.437 4.397 3.960 0.000 0.000 0.237 274 G C 0.114 175.115 174.900 0.169 0.000 1.239 274 G CA 0.798 45.949 45.100 0.085 0.000 0.847 274 G HN 0.608 nan 8.290 nan 0.000 0.593 275 I N -0.837 119.867 120.570 0.224 0.000 3.239 275 I HA 0.463 4.633 4.170 0.000 0.000 0.314 275 I C -0.900 175.305 176.117 0.147 0.000 1.126 275 I CA -1.085 60.311 61.300 0.161 0.000 0.973 275 I CB 1.575 39.668 38.000 0.155 0.000 1.252 275 I HN 0.174 nan 8.210 nan 0.000 0.463 276 L N 2.878 124.188 121.223 0.145 0.000 2.341 276 L HA 0.573 4.913 4.340 0.000 0.000 0.278 276 L C -0.742 176.430 176.870 0.503 0.000 1.005 276 L CA -0.196 54.801 54.840 0.261 0.000 0.818 276 L CB 1.336 43.470 42.059 0.126 0.000 1.259 276 L HN 0.293 nan 8.230 nan 0.000 0.418 277 I N 2.838 123.643 120.570 0.392 0.000 2.533 277 I HA 0.425 4.595 4.170 0.000 0.000 0.290 277 I C -0.118 175.947 176.117 -0.087 0.000 1.056 277 I CA -0.671 60.749 61.300 0.200 0.000 1.057 277 I CB 1.709 39.783 38.000 0.124 0.000 1.240 277 I HN 0.628 nan 8.210 nan 0.000 0.423 278 N N 2.638 121.091 118.700 -0.411 0.000 2.405 278 N HA 0.279 5.019 4.740 0.000 0.000 0.269 278 N C 1.054 176.406 175.510 -0.263 0.000 1.249 278 N CA -0.167 52.587 53.050 -0.493 0.000 0.974 278 N CB 0.133 38.206 38.487 -0.690 0.000 1.204 278 N HN 0.580 nan 8.380 nan 0.000 0.565 279 S N -1.349 114.214 115.700 -0.230 0.000 2.359 279 S HA -0.341 4.129 4.470 0.000 0.000 0.224 279 S C 1.626 176.135 174.600 -0.151 0.000 1.035 279 S CA 1.384 59.469 58.200 -0.191 0.000 1.018 279 S CB -0.889 62.222 63.200 -0.149 0.000 0.876 279 S HN 0.737 nan 8.310 nan 0.000 0.448 280 Q N 1.490 121.214 119.800 -0.127 0.000 2.364 280 Q HA 0.034 4.374 4.340 0.000 0.000 0.209 280 Q C 1.455 177.410 176.000 -0.075 0.000 0.977 280 Q CA 1.080 56.831 55.803 -0.087 0.000 0.885 280 Q CB -0.603 28.094 28.738 -0.068 0.000 0.941 280 Q HN 0.905 nan 8.270 nan 0.000 0.464 281 G N 0.629 109.374 108.800 -0.091 0.000 2.176 281 G HA2 -0.284 3.676 3.960 0.000 0.000 0.232 281 G HA3 -0.284 3.676 3.960 0.000 0.000 0.232 281 G C -0.187 174.706 174.900 -0.011 0.000 0.986 281 G CA 0.208 45.277 45.100 -0.052 0.000 0.643 281 G HN 0.479 nan 8.290 nan 0.000 0.522 282 E N 0.417 120.610 120.200 -0.013 0.000 2.383 282 E HA 0.347 4.697 4.350 0.000 0.000 0.264 282 E C 0.694 177.401 176.600 0.178 0.000 1.050 282 E CA -0.724 55.712 56.400 0.061 0.000 0.896 282 E CB 0.331 30.070 29.700 0.065 0.000 0.982 282 E HN 0.295 nan 8.360 nan 0.000 0.424 283 R N 5.879 126.513 120.500 0.223 0.000 4.680 283 R HA 0.059 4.399 4.340 0.000 0.000 0.222 283 R C 1.026 177.576 176.300 0.417 0.000 1.803 283 R CA -0.106 56.186 56.100 0.320 0.000 1.560 283 R CB -0.806 29.587 30.300 0.155 0.000 1.412 283 R HN 0.656 nan 8.270 nan 0.000 0.815 284 F N -0.727 119.283 119.950 0.099 0.000 2.101 284 F HA -0.299 4.228 4.527 -0.000 0.000 0.298 284 F C 0.789 176.724 175.800 0.224 0.000 1.076 284 F CA 0.526 58.642 58.000 0.194 0.000 1.248 284 F CB -0.395 38.746 39.000 0.234 0.000 0.999 284 F HN 0.146 nan 8.300 nan 0.000 0.488 285 M N 1.909 121.295 119.600 -0.356 0.000 3.445 285 M HA 0.066 4.546 4.480 0.000 0.000 0.224 285 M C 0.725 176.993 176.300 -0.054 0.000 1.551 285 M CA 0.579 55.686 55.300 -0.323 0.000 1.671 285 M CB -1.109 31.178 32.600 -0.523 0.000 1.159 285 M HN 0.690 nan 8.290 nan 0.000 0.547 286 E N -0.706 119.534 120.200 0.065 0.000 1.570 286 E HA -0.015 4.335 4.350 0.000 0.000 0.194 286 E C 1.173 177.829 176.600 0.094 0.000 0.858 286 E CA 0.068 56.511 56.400 0.072 0.000 1.097 286 E CB 0.271 30.013 29.700 0.071 0.000 3.858 286 E HN 0.506 nan 8.360 nan 0.000 0.680 287 R N -0.547 120.040 120.500 0.146 0.000 2.123 287 R HA 0.140 4.480 4.340 0.000 0.000 0.209 287 R C 1.264 177.591 176.300 0.044 0.000 1.078 287 R CA 0.812 56.961 56.100 0.080 0.000 1.028 287 R CB 0.056 30.402 30.300 0.078 0.000 0.939 287 R HN 0.064 nan 8.270 nan 0.000 0.463 288 Y N -0.303 120.019 120.300 0.037 0.000 2.395 288 Y HA 0.263 4.813 4.550 -0.000 0.000 0.293 288 Y C 0.405 176.324 175.900 0.031 0.000 1.123 288 Y CA 0.677 58.797 58.100 0.034 0.000 1.227 288 Y CB 0.565 39.038 38.460 0.021 0.000 1.012 288 Y HN 0.100 nan 8.280 nan 0.000 0.552 289 A N -0.933 121.991 122.820 0.174 0.000 2.768 289 A HA 0.433 4.753 4.320 0.000 0.000 0.298 289 A C -2.330 175.306 177.584 0.086 0.000 1.159 289 A CA -1.101 51.010 52.037 0.123 0.000 0.783 289 A CB 0.529 19.600 19.000 0.120 0.000 1.333 289 A HN -0.052 nan 8.150 nan 0.000 0.412 290 P HA -0.188 nan 4.420 nan 0.000 0.213 290 P C 1.753 179.083 177.300 0.051 0.000 1.176 290 P CA 1.925 65.058 63.100 0.054 0.000 0.919 290 P CB 0.228 31.954 31.700 0.043 0.000 0.791 291 V N 0.072 120.019 119.914 0.054 0.000 2.216 291 V HA -0.265 3.855 4.120 0.000 0.000 0.243 291 V C 2.495 178.626 176.094 0.062 0.000 1.044 291 V CA 2.596 64.926 62.300 0.050 0.000 0.995 291 V CB -1.984 29.865 31.823 0.043 0.000 0.633 291 V HN 0.108 nan 8.190 nan 0.000 0.446 292 A N -1.502 121.374 122.820 0.093 0.000 1.930 292 A HA -0.110 4.210 4.320 0.000 0.000 0.217 292 A C 1.446 179.058 177.584 0.046 0.000 1.175 292 A CA 1.591 53.687 52.037 0.098 0.000 0.627 292 A CB -0.269 18.843 19.000 0.186 0.000 0.815 292 A HN 0.651 nan 8.150 nan 0.000 0.443 293 K N -1.755 118.667 120.400 0.036 0.000 1.987 293 K HA -0.260 4.060 4.320 0.000 0.000 0.206 293 K C 0.754 177.318 176.600 -0.060 0.000 1.587 293 K CA 1.187 57.472 56.287 -0.002 0.000 0.589 293 K CB -1.190 31.317 32.500 0.012 0.000 0.682 293 K HN 0.614 nan 8.250 nan 0.000 0.876 294 D N 0.814 121.170 120.400 -0.073 0.000 2.280 294 D HA -0.193 4.447 4.640 0.000 0.000 0.206 294 D C 0.843 177.080 176.300 -0.106 0.000 0.988 294 D CA 1.526 55.459 54.000 -0.113 0.000 0.886 294 D CB -0.097 40.672 40.800 -0.052 0.000 0.914 294 D HN 0.208 nan 8.370 nan 0.000 0.473 295 L N 0.343 121.528 121.223 -0.064 0.000 2.843 295 L HA 0.546 4.886 4.340 0.000 0.000 0.234 295 L C -0.076 176.736 176.870 -0.096 0.000 1.264 295 L CA -0.474 54.324 54.840 -0.069 0.000 1.052 295 L CB 0.557 42.619 42.059 0.004 0.000 1.372 295 L HN 0.160 nan 8.230 nan 0.000 0.466 296 A N -0.393 122.319 122.820 -0.180 0.000 2.414 296 A HA 0.809 5.129 4.320 0.000 0.000 0.278 296 A C 0.133 177.438 177.584 -0.464 0.000 1.228 296 A CA -0.578 51.282 52.037 -0.294 0.000 0.857 296 A CB 0.702 19.574 19.000 -0.214 0.000 1.389 296 A HN 0.251 nan 8.150 nan 0.000 0.452 297 S N 0.743 115.962 115.700 -0.802 0.000 2.561 297 S HA 0.030 4.500 4.470 0.000 0.000 0.294 297 S C 1.414 175.798 174.600 -0.360 0.000 1.294 297 S CA -0.344 57.495 58.200 -0.601 0.000 1.055 297 S CB 0.315 63.109 63.200 -0.676 0.000 0.819 297 S HN 0.603 nan 8.310 nan 0.000 0.503 298 R N 2.716 123.051 120.500 -0.275 0.000 2.096 298 R HA -0.128 4.212 4.340 0.000 0.000 0.235 298 R C 1.682 177.889 176.300 -0.155 0.000 1.127 298 R CA 1.605 57.572 56.100 -0.221 0.000 0.968 298 R CB -1.127 29.085 30.300 -0.146 0.000 0.861 298 R HN 0.853 nan 8.270 nan 0.000 0.440 299 D N 0.927 121.263 120.400 -0.108 0.000 2.144 299 D HA -0.094 4.546 4.640 0.000 0.000 0.200 299 D C 1.859 178.099 176.300 -0.100 0.000 0.978 299 D CA 0.870 54.836 54.000 -0.057 0.000 0.833 299 D CB -0.344 40.460 40.800 0.007 0.000 0.961 299 D HN 0.100 nan 8.370 nan 0.000 0.470 300 V N 0.843 120.681 119.914 -0.126 0.000 2.331 300 V HA -0.153 3.967 4.120 0.000 0.000 0.242 300 V C 2.986 178.982 176.094 -0.162 0.000 1.034 300 V CA 0.938 63.175 62.300 -0.104 0.000 1.027 300 V CB -0.303 31.473 31.823 -0.078 0.000 0.667 300 V HN 0.069 nan 8.190 nan 0.000 0.457 301 V N 1.452 121.235 119.914 -0.217 0.000 2.380 301 V HA -0.256 3.864 4.120 0.000 0.000 0.251 301 V C 2.691 178.629 176.094 -0.261 0.000 1.063 301 V CA 2.470 64.608 62.300 -0.271 0.000 1.055 301 V CB -0.873 30.776 31.823 -0.290 0.000 0.657 301 V HN 0.761 nan 8.190 nan 0.000 0.455 302 S N 0.286 115.861 115.700 -0.209 0.000 2.406 302 S HA -0.165 4.305 4.470 0.000 0.000 0.224 302 S C 2.019 176.514 174.600 -0.175 0.000 1.030 302 S CA 0.934 59.036 58.200 -0.163 0.000 0.958 302 S CB -0.426 62.708 63.200 -0.109 0.000 0.811 302 S HN 0.448 nan 8.310 nan 0.000 0.489 303 R N 1.843 122.219 120.500 -0.208 0.000 2.127 303 R HA 0.002 4.342 4.340 0.000 0.000 0.238 303 R C 2.177 178.431 176.300 -0.076 0.000 1.134 303 R CA 1.705 57.671 56.100 -0.224 0.000 0.975 303 R CB -0.737 29.460 30.300 -0.171 0.000 0.865 303 R HN 0.528 nan 8.270 nan 0.000 0.447 304 S N 0.052 115.617 115.700 -0.225 0.000 2.325 304 S HA -0.130 4.340 4.470 0.000 0.000 0.213 304 S C 1.863 176.308 174.600 -0.259 0.000 1.031 304 S CA 1.566 59.436 58.200 -0.549 0.000 0.984 304 S CB -0.304 62.353 63.200 -0.905 0.000 0.939 304 S HN 0.267 nan 8.310 nan 0.000 0.438 305 M N 1.192 120.740 119.600 -0.087 0.000 2.163 305 M HA -0.195 4.285 4.480 0.000 0.000 0.258 305 M C 2.572 178.939 176.300 0.111 0.000 1.071 305 M CA 1.951 57.357 55.300 0.178 0.000 1.093 305 M CB -1.410 31.287 32.600 0.160 0.000 1.285 305 M HN 0.327 nan 8.290 nan 0.000 0.420 306 T N 0.668 115.262 114.554 0.066 0.000 2.751 306 T HA -0.190 4.160 4.350 0.000 0.000 0.268 306 T C 1.556 176.358 174.700 0.170 0.000 1.045 306 T CA 1.560 63.718 62.100 0.097 0.000 1.142 306 T CB -0.148 68.734 68.868 0.023 0.000 0.851 306 T HN 0.186 nan 8.240 nan 0.000 0.474 307 L N 1.002 122.345 121.223 0.201 0.000 2.049 307 L HA 0.119 4.459 4.340 0.000 0.000 0.203 307 L C 2.578 179.538 176.870 0.150 0.000 1.074 307 L CA 1.769 56.733 54.840 0.208 0.000 0.749 307 L CB -0.639 41.587 42.059 0.278 0.000 0.907 307 L HN 0.201 nan 8.230 nan 0.000 0.439 308 E N -0.162 120.135 120.200 0.161 0.000 2.171 308 E HA -0.252 4.098 4.350 0.000 0.000 0.197 308 E C 2.203 178.828 176.600 0.041 0.000 0.997 308 E CA 1.705 58.172 56.400 0.111 0.000 0.810 308 E CB -0.294 29.434 29.700 0.046 0.000 0.738 308 E HN 0.580 nan 8.360 nan 0.000 0.467 309 I N 0.676 121.278 120.570 0.053 0.000 2.315 309 I HA -0.229 3.941 4.170 0.000 0.000 0.248 309 I C 2.435 178.568 176.117 0.026 0.000 1.117 309 I CA 0.715 62.037 61.300 0.036 0.000 1.404 309 I CB -0.237 37.800 38.000 0.062 0.000 1.071 309 I HN -0.047 nan 8.210 nan 0.000 0.419 310 R N 1.184 121.707 120.500 0.037 0.000 2.066 310 R HA -0.100 4.240 4.340 0.000 0.000 0.232 310 R C 1.986 178.286 176.300 0.001 0.000 1.131 310 R CA 1.110 57.218 56.100 0.013 0.000 0.955 310 R CB -0.817 29.483 30.300 -0.001 0.000 0.851 310 R HN 0.398 nan 8.270 nan 0.000 0.432 311 E N -0.032 120.175 120.200 0.012 0.000 2.331 311 E HA -0.069 4.281 4.350 0.000 0.000 0.199 311 E C 0.633 177.227 176.600 -0.010 0.000 1.008 311 E CA 1.002 57.404 56.400 0.003 0.000 0.843 311 E CB -0.228 29.484 29.700 0.020 0.000 0.761 311 E HN 0.514 nan 8.360 nan 0.000 0.507 312 G N 1.392 110.185 108.800 -0.012 0.000 2.871 312 G HA2 -0.240 3.720 3.960 0.000 0.000 0.262 312 G HA3 -0.240 3.720 3.960 0.000 0.000 0.262 312 G C -0.035 174.843 174.900 -0.036 0.000 1.126 312 G CA -0.089 44.997 45.100 -0.024 0.000 1.130 312 G HN 0.240 nan 8.290 nan 0.000 0.549 313 R N -0.008 120.466 120.500 -0.044 0.000 2.617 313 R HA 0.392 4.732 4.340 0.000 0.000 0.432 313 R C 1.195 177.445 176.300 -0.083 0.000 1.018 313 R CA -0.188 55.867 56.100 -0.074 0.000 1.077 313 R CB 0.810 31.055 30.300 -0.093 0.000 1.394 313 R HN 0.672 nan 8.270 nan 0.000 0.608 314 G N -0.358 108.409 108.800 -0.055 0.000 2.667 314 G HA2 0.139 4.099 3.960 0.000 0.000 0.250 314 G HA3 0.139 4.099 3.960 0.000 0.000 0.250 314 G C 0.337 175.215 174.900 -0.037 0.000 1.212 314 G CA -0.253 44.833 45.100 -0.023 0.000 0.874 314 G HN 0.396 nan 8.290 nan 0.000 0.561 315 C N 0.603 119.944 119.300 0.069 0.000 2.849 315 C HA 0.665 5.125 4.460 0.000 0.000 0.271 315 C C 1.114 176.151 174.990 0.078 0.000 1.519 315 C CA -0.142 58.824 59.018 -0.086 0.000 1.783 315 C CB -0.963 26.568 27.740 -0.348 0.000 2.869 315 C HN 0.991 nan 8.230 nan 0.000 0.527 316 G N 0.312 109.154 108.800 0.070 0.000 2.687 316 G HA2 0.525 4.485 3.960 0.000 0.000 0.291 316 G HA3 0.525 4.485 3.960 0.000 0.000 0.291 316 G C -2.296 172.534 174.900 -0.117 0.000 1.420 316 G CA -0.638 44.480 45.100 0.031 0.000 0.796 316 G HN -0.142 nan 8.290 nan 0.000 0.485 317 P HA -0.243 nan 4.420 nan 0.000 0.218 317 P C 1.122 178.364 177.300 -0.098 0.000 1.132 317 P CA 1.996 65.051 63.100 -0.075 0.000 0.968 317 P CB 0.315 31.986 31.700 -0.048 0.000 0.783 318 E N -1.293 118.816 120.200 -0.152 0.000 2.437 318 E HA 0.013 4.363 4.350 0.000 0.000 0.189 318 E C -0.302 176.214 176.600 -0.140 0.000 1.054 318 E CA -0.131 56.199 56.400 -0.118 0.000 0.874 318 E CB -0.532 29.119 29.700 -0.082 0.000 1.011 318 E HN 0.024 nan 8.360 nan 0.000 0.474 319 K N 1.158 121.454 120.400 -0.174 0.000 3.177 319 K HA -0.220 4.100 4.320 0.000 0.000 0.266 319 K C -0.422 176.105 176.600 -0.122 0.000 0.937 319 K CA 0.857 57.067 56.287 -0.129 0.000 0.702 319 K CB -1.119 31.335 32.500 -0.076 0.000 1.365 319 K HN 0.399 nan 8.250 nan 0.000 0.466 320 D N -1.778 118.480 120.400 -0.236 0.000 2.392 320 D HA -0.021 4.619 4.640 0.000 0.000 0.206 320 D C 0.957 177.246 176.300 -0.018 0.000 1.046 320 D CA 0.668 54.590 54.000 -0.130 0.000 0.865 320 D CB 0.055 40.773 40.800 -0.136 0.000 0.969 320 D HN 0.749 nan 8.370 nan 0.000 0.509 321 H N -2.008 117.013 119.070 -0.082 0.000 3.379 321 H HA 0.754 5.310 4.556 -0.000 0.000 0.298 321 H C -0.592 174.762 175.328 0.043 0.000 1.672 321 H CA -1.343 54.712 56.048 0.011 0.000 1.446 321 H CB 1.094 30.865 29.762 0.014 0.000 1.710 321 H HN -0.163 nan 8.280 nan 0.000 0.791 322 V N -1.201 118.832 119.914 0.198 0.000 3.119 322 V HA 0.273 4.393 4.120 0.000 0.000 0.309 322 V C -1.593 174.596 176.094 0.157 0.000 1.304 322 V CA -0.873 61.503 62.300 0.127 0.000 1.057 322 V CB 1.854 33.758 31.823 0.135 0.000 1.150 322 V HN 0.628 nan 8.190 nan 0.000 0.474 323 Y N 0.733 120.981 120.300 -0.086 0.000 2.346 323 Y HA 0.582 5.132 4.550 -0.000 0.000 0.332 323 Y C -0.429 175.480 175.900 0.016 0.000 0.985 323 Y CA -0.684 57.370 58.100 -0.076 0.000 1.112 323 Y CB 1.793 40.216 38.460 -0.062 0.000 1.170 323 Y HN 0.432 nan 8.280 nan 0.000 0.447 324 L N 4.822 126.061 121.223 0.027 0.000 2.276 324 L HA 0.472 4.812 4.340 0.000 0.000 0.286 324 L C -0.453 176.461 176.870 0.073 0.000 1.061 324 L CA -0.355 54.521 54.840 0.059 0.000 0.807 324 L CB 1.150 43.216 42.059 0.011 0.000 1.177 324 L HN 0.680 nan 8.230 nan 0.000 0.429 325 Q N 4.089 123.973 119.800 0.140 0.000 2.309 325 Q HA 0.455 4.795 4.340 0.000 0.000 0.264 325 Q C -0.583 175.537 176.000 0.200 0.000 1.008 325 Q CA -0.541 55.374 55.803 0.188 0.000 0.853 325 Q CB 1.842 30.725 28.738 0.242 0.000 1.314 325 Q HN 0.847 nan 8.270 nan 0.000 0.448 326 L N 1.688 123.015 121.223 0.173 0.000 3.406 326 L HA 0.086 4.426 4.340 0.000 0.000 0.309 326 L C 1.501 178.385 176.870 0.024 0.000 1.159 326 L CA -0.128 54.738 54.840 0.044 0.000 1.122 326 L CB -0.110 41.962 42.059 0.020 0.000 1.633 326 L HN 0.785 nan 8.230 nan 0.000 0.607 327 H N 2.332 121.457 119.070 0.092 0.000 2.297 327 H HA -0.307 4.249 4.556 -0.000 0.000 0.289 327 H C 2.222 177.605 175.328 0.091 0.000 1.105 327 H CA 2.703 58.810 56.048 0.098 0.000 1.219 327 H CB -0.194 29.651 29.762 0.137 0.000 1.351 327 H HN 0.494 nan 8.280 nan 0.000 0.481 328 H N -0.299 118.652 119.070 -0.199 0.000 2.568 328 H HA 0.011 4.567 4.556 -0.000 0.000 0.281 328 H C 0.281 175.520 175.328 -0.148 0.000 1.028 328 H CA 0.319 56.223 56.048 -0.239 0.000 1.199 328 H CB -0.633 29.091 29.762 -0.063 0.000 1.352 328 H HN 0.220 nan 8.280 nan 0.000 0.605 329 L N 2.283 123.270 121.223 -0.394 0.000 2.350 329 L HA 0.321 4.661 4.340 0.000 0.000 0.275 329 L C -2.082 174.692 176.870 -0.161 0.000 1.099 329 L CA -2.076 52.599 54.840 -0.275 0.000 0.808 329 L CB 1.077 42.978 42.059 -0.264 0.000 1.149 329 L HN -0.013 nan 8.230 nan 0.000 0.442 330 P HA 0.054 nan 4.420 nan 0.000 0.261 330 P C -1.831 175.429 177.300 -0.066 0.000 1.183 330 P CA -0.694 62.360 63.100 -0.078 0.000 0.761 330 P CB 0.146 31.810 31.700 -0.060 0.000 0.785 331 P HA -0.251 nan 4.420 nan 0.000 0.218 331 P C 1.289 178.569 177.300 -0.033 0.000 1.152 331 P CA 1.557 64.638 63.100 -0.033 0.000 0.857 331 P CB -0.011 31.678 31.700 -0.018 0.000 0.787 332 E N -0.595 119.583 120.200 -0.037 0.000 2.072 332 E HA -0.219 4.131 4.350 0.000 0.000 0.191 332 E C 2.101 178.671 176.600 -0.050 0.000 0.985 332 E CA 1.007 57.383 56.400 -0.040 0.000 0.801 332 E CB -0.621 29.055 29.700 -0.040 0.000 0.750 332 E HN 0.447 nan 8.360 nan 0.000 0.452 333 Q N 0.646 120.413 119.800 -0.056 0.000 2.124 333 Q HA -0.117 4.223 4.340 0.000 0.000 0.202 333 Q C 2.211 178.178 176.000 -0.056 0.000 0.977 333 Q CA 0.906 56.670 55.803 -0.063 0.000 0.850 333 Q CB -0.041 28.657 28.738 -0.066 0.000 0.901 333 Q HN 0.241 nan 8.270 nan 0.000 0.429 334 L N -0.187 121.007 121.223 -0.049 0.000 2.465 334 L HA -0.032 4.308 4.340 0.000 0.000 0.224 334 L C 2.138 178.990 176.870 -0.030 0.000 1.145 334 L CA 0.555 55.373 54.840 -0.036 0.000 0.834 334 L CB -0.256 41.786 42.059 -0.030 0.000 0.944 334 L HN 0.264 nan 8.230 nan 0.000 0.451 335 A N -0.940 121.858 122.820 -0.036 0.000 2.044 335 A HA 0.071 4.391 4.320 0.000 0.000 0.213 335 A C 2.009 179.567 177.584 -0.043 0.000 1.169 335 A CA 0.482 52.499 52.037 -0.034 0.000 0.724 335 A CB 0.065 19.046 19.000 -0.031 0.000 0.840 335 A HN 0.167 nan 8.150 nan 0.000 0.463 336 V N -0.706 119.174 119.914 -0.057 0.000 3.307 336 V HA 0.078 4.198 4.120 0.000 0.000 0.253 336 V C 2.067 178.112 176.094 -0.081 0.000 1.149 336 V CA 0.828 63.082 62.300 -0.077 0.000 1.112 336 V CB -0.321 31.440 31.823 -0.104 0.000 0.777 336 V HN 0.367 nan 8.190 nan 0.000 0.464 337 R N -0.296 120.167 120.500 -0.061 0.000 2.316 337 R HA 0.425 4.765 4.340 0.000 0.000 0.201 337 R C 0.650 176.945 176.300 -0.009 0.000 0.888 337 R CA 0.414 56.493 56.100 -0.034 0.000 1.041 337 R CB 0.512 30.798 30.300 -0.024 0.000 1.115 337 R HN 0.364 nan 8.270 nan 0.000 0.559 338 L N 2.128 123.342 121.223 -0.015 0.000 3.186 338 L HA 0.275 4.615 4.340 0.000 0.000 0.317 338 L C -1.714 175.150 176.870 -0.010 0.000 1.296 338 L CA -0.823 54.014 54.840 -0.005 0.000 0.870 338 L CB 1.694 43.754 42.059 0.002 0.000 1.302 338 L HN -0.137 nan 8.230 nan 0.000 0.590 339 P HA -0.113 nan 4.420 nan 0.000 0.219 339 P C 1.544 178.833 177.300 -0.018 0.000 1.150 339 P CA 1.382 64.469 63.100 -0.020 0.000 0.814 339 P CB 0.399 32.081 31.700 -0.030 0.000 0.787 340 G N 1.470 110.257 108.800 -0.021 0.000 2.422 340 G HA2 -0.217 3.743 3.960 0.000 0.000 0.218 340 G HA3 -0.217 3.743 3.960 0.000 0.000 0.218 340 G C 1.661 176.556 174.900 -0.008 0.000 1.146 340 G CA 0.889 45.975 45.100 -0.023 0.000 0.769 340 G HN 0.430 nan 8.290 nan 0.000 0.547 341 I N -1.470 119.099 120.570 -0.002 0.000 2.353 341 I HA -0.008 4.162 4.170 0.000 0.000 0.248 341 I C 2.562 178.687 176.117 0.015 0.000 1.119 341 I CA 1.383 62.686 61.300 0.005 0.000 1.417 341 I CB -0.440 37.566 38.000 0.011 0.000 1.078 341 I HN -0.023 nan 8.210 nan 0.000 0.421 342 S N 1.306 117.013 115.700 0.011 0.000 2.365 342 S HA -0.214 4.256 4.470 0.000 0.000 0.225 342 S C 1.791 176.406 174.600 0.026 0.000 1.039 342 S CA 2.022 60.231 58.200 0.015 0.000 1.033 342 S CB -0.430 62.774 63.200 0.007 0.000 0.887 342 S HN 0.596 nan 8.310 nan 0.000 0.447 343 E N 0.438 120.653 120.200 0.025 0.000 2.005 343 E HA -0.170 4.180 4.350 0.000 0.000 0.198 343 E C 2.576 179.227 176.600 0.084 0.000 1.010 343 E CA 1.686 58.110 56.400 0.041 0.000 0.825 343 E CB -0.497 29.222 29.700 0.031 0.000 0.769 343 E HN 0.628 nan 8.360 nan 0.000 0.456 344 T N -0.109 114.507 114.554 0.102 0.000 2.803 344 T HA -0.122 4.228 4.350 0.000 0.000 0.269 344 T C 1.967 176.783 174.700 0.193 0.000 1.052 344 T CA 1.406 63.624 62.100 0.197 0.000 1.136 344 T CB -0.222 68.683 68.868 0.062 0.000 0.864 344 T HN 0.202 nan 8.240 nan 0.000 0.467 345 A N 1.050 123.926 122.820 0.095 0.000 1.933 345 A HA 0.062 4.382 4.320 0.000 0.000 0.218 345 A C 2.376 180.009 177.584 0.082 0.000 1.175 345 A CA 2.071 54.151 52.037 0.072 0.000 0.628 345 A CB -0.773 18.246 19.000 0.031 0.000 0.814 345 A HN 0.622 nan 8.150 nan 0.000 0.444 346 M N -0.143 119.501 119.600 0.074 0.000 2.160 346 M HA 0.101 4.581 4.480 0.000 0.000 0.264 346 M C 1.798 178.128 176.300 0.051 0.000 1.073 346 M CA 1.564 56.895 55.300 0.051 0.000 1.142 346 M CB -0.490 32.130 32.600 0.033 0.000 1.358 346 M HN 0.340 nan 8.290 nan 0.000 0.422 347 I N -0.794 119.820 120.570 0.073 0.000 2.226 347 I HA -0.251 3.919 4.170 0.000 0.000 0.245 347 I C 1.368 177.408 176.117 -0.128 0.000 1.100 347 I CA 1.339 62.630 61.300 -0.015 0.000 1.374 347 I CB -0.427 37.589 38.000 0.028 0.000 1.057 347 I HN 0.199 nan 8.210 nan 0.000 0.413 348 F N -0.245 119.710 119.950 0.008 0.000 2.746 348 F HA 0.277 4.804 4.527 0.000 0.000 0.297 348 F C 1.981 177.794 175.800 0.023 0.000 1.113 348 F CA 0.573 58.581 58.000 0.014 0.000 1.367 348 F CB 0.040 39.046 39.000 0.010 0.000 1.111 348 F HN -0.060 nan 8.300 nan 0.000 0.590 349 A N -0.917 122.001 122.820 0.163 0.000 2.048 349 A HA 0.534 4.854 4.320 0.000 0.000 0.197 349 A C 1.499 179.119 177.584 0.060 0.000 1.486 349 A CA 0.503 52.603 52.037 0.105 0.000 1.029 349 A CB -0.361 18.685 19.000 0.076 0.000 1.101 349 A HN 0.384 nan 8.150 nan 0.000 0.470 350 G N -0.184 108.644 108.800 0.046 0.000 2.470 350 G HA2 0.036 3.996 3.960 0.000 0.000 0.286 350 G HA3 0.036 3.996 3.960 0.000 0.000 0.286 350 G C -0.392 174.521 174.900 0.023 0.000 1.115 350 G CA 0.166 45.282 45.100 0.027 0.000 1.122 350 G HN 1.126 nan 8.290 nan 0.000 0.522 351 V N -0.018 119.908 119.914 0.020 0.000 2.925 351 V HA 0.588 4.708 4.120 0.000 0.000 0.311 351 V C -0.867 175.237 176.094 0.016 0.000 1.104 351 V CA -1.031 61.276 62.300 0.011 0.000 0.954 351 V CB 2.330 34.146 31.823 -0.011 0.000 1.022 351 V HN 0.295 nan 8.190 nan 0.000 0.427 352 D N 2.085 122.497 120.400 0.019 0.000 2.499 352 D HA 0.266 4.906 4.640 0.000 0.000 0.225 352 D C 1.212 177.535 176.300 0.039 0.000 1.124 352 D CA -0.250 53.767 54.000 0.027 0.000 0.938 352 D CB 1.444 42.262 40.800 0.030 0.000 1.014 352 D HN 0.413 nan 8.370 nan 0.000 0.517 353 V N 0.581 120.515 119.914 0.033 0.000 2.428 353 V HA -0.308 3.812 4.120 0.000 0.000 0.255 353 V C 2.056 178.196 176.094 0.077 0.000 1.080 353 V CA 2.245 64.571 62.300 0.043 0.000 1.083 353 V CB -1.226 30.613 31.823 0.026 0.000 0.665 353 V HN 0.496 nan 8.190 nan 0.000 0.461 354 T N -0.922 113.674 114.554 0.070 0.000 3.051 354 T HA -0.074 4.276 4.350 0.000 0.000 0.269 354 T C 1.315 176.143 174.700 0.214 0.000 1.127 354 T CA 1.862 64.015 62.100 0.089 0.000 1.107 354 T CB -0.279 68.619 68.868 0.051 0.000 0.898 354 T HN 0.775 nan 8.240 nan 0.000 0.517 355 K N -0.155 120.370 120.400 0.208 0.000 2.603 355 K HA 0.233 4.553 4.320 0.000 0.000 0.195 355 K C -0.732 175.860 176.600 -0.013 0.000 1.213 355 K CA -0.207 56.208 56.287 0.213 0.000 1.084 355 K CB 1.157 33.720 32.500 0.105 0.000 0.981 355 K HN 0.143 nan 8.250 nan 0.000 0.577 356 E N 1.274 121.501 120.200 0.045 0.000 2.363 356 E HA 0.235 4.585 4.350 0.000 0.000 0.281 356 E C -2.997 173.623 176.600 0.033 0.000 0.953 356 E CA -1.787 54.616 56.400 0.006 0.000 0.778 356 E CB 2.682 32.383 29.700 0.001 0.000 1.220 356 E HN -0.135 nan 8.360 nan 0.000 0.431 357 P HA 0.364 nan 4.420 nan 0.000 0.284 357 P C -0.081 177.094 177.300 -0.208 0.000 1.253 357 P CA -0.355 62.741 63.100 -0.006 0.000 0.800 357 P CB 0.916 32.685 31.700 0.115 0.000 0.961 358 I N 4.125 124.588 120.570 -0.178 0.000 2.428 358 I HA 0.209 4.379 4.170 0.000 0.000 0.289 358 I C -2.104 173.783 176.117 -0.383 0.000 1.019 358 I CA -2.634 58.529 61.300 -0.229 0.000 1.351 358 I CB 0.744 38.688 38.000 -0.094 0.000 1.412 358 I HN 0.085 nan 8.210 nan 0.000 0.513 359 P HA 0.102 nan 4.420 nan 0.000 0.279 359 P C -0.696 176.475 177.300 -0.215 0.000 1.318 359 P CA -0.091 62.694 63.100 -0.525 0.000 0.819 359 P CB 0.457 31.912 31.700 -0.408 0.000 0.927 360 V N 2.441 122.261 119.914 -0.157 0.000 2.919 360 V HA 0.837 4.957 4.120 0.000 0.000 0.316 360 V C -0.861 175.281 176.094 0.079 0.000 1.077 360 V CA -1.306 60.993 62.300 -0.002 0.000 0.977 360 V CB 2.264 34.090 31.823 0.006 0.000 1.039 360 V HN 0.261 nan 8.190 nan 0.000 0.441 361 L N 2.400 123.705 121.223 0.137 0.000 2.543 361 L HA 0.764 5.104 4.340 0.000 0.000 0.265 361 L C -3.082 173.879 176.870 0.151 0.000 0.945 361 L CA -1.610 53.340 54.840 0.183 0.000 0.869 361 L CB 2.283 44.521 42.059 0.298 0.000 1.294 361 L HN 0.496 nan 8.230 nan 0.000 0.405 362 P HA 0.182 nan 4.420 nan 0.000 0.258 362 P C -1.047 176.395 177.300 0.236 0.000 1.187 362 P CA 0.484 63.664 63.100 0.134 0.000 0.767 362 P CB 0.215 31.964 31.700 0.082 0.000 0.770 363 T N -0.393 114.293 114.554 0.220 0.000 2.906 363 T HA 0.427 4.777 4.350 0.000 0.000 0.295 363 T C -0.079 174.627 174.700 0.011 0.000 1.075 363 T CA -0.935 61.276 62.100 0.187 0.000 1.005 363 T CB 0.572 69.503 68.868 0.106 0.000 1.136 363 T HN -0.060 nan 8.240 nan 0.000 0.498 364 V N 2.409 122.158 119.914 -0.276 0.000 2.953 364 V HA 0.125 4.245 4.120 0.000 0.000 0.304 364 V C 1.117 177.061 176.094 -0.251 0.000 1.138 364 V CA 1.075 62.975 62.300 -0.667 0.000 1.266 364 V CB 0.254 31.591 31.823 -0.810 0.000 0.923 364 V HN 1.214 nan 8.190 nan 0.000 0.505 365 H N 2.805 121.656 119.070 -0.366 0.000 1.785 365 H HA 0.273 4.829 4.556 0.000 0.000 0.156 365 H C -0.504 174.739 175.328 -0.142 0.000 1.015 365 H CA 0.173 56.109 56.048 -0.187 0.000 1.056 365 H CB 0.321 30.043 29.762 -0.067 0.000 0.903 365 H HN 0.545 nan 8.280 nan 0.000 0.313 366 Y N 0.971 121.065 120.300 -0.343 0.000 2.570 366 Y HA 0.503 5.053 4.550 0.000 0.000 0.345 366 Y C -1.406 174.293 175.900 -0.335 0.000 1.014 366 Y CA -1.244 56.621 58.100 -0.392 0.000 1.063 366 Y CB 1.634 39.921 38.460 -0.288 0.000 1.272 366 Y HN 0.222 nan 8.280 nan 0.000 0.477 367 N N 4.972 122.975 118.700 -1.162 0.000 2.524 367 N HA 0.212 4.952 4.740 0.000 0.000 0.261 367 N C 0.423 175.455 175.510 -0.796 0.000 0.998 367 N CA -0.534 52.015 53.050 -0.835 0.000 0.915 367 N CB 1.121 39.068 38.487 -0.901 0.000 1.187 367 N HN 0.559 nan 8.380 nan 0.000 0.507 368 M N -0.385 119.072 119.600 -0.239 0.000 2.229 368 M HA 0.109 4.589 4.480 0.000 0.000 0.264 368 M C 1.129 177.430 176.300 0.001 0.000 1.063 368 M CA 0.576 55.904 55.300 0.047 0.000 1.114 368 M CB -1.117 31.590 32.600 0.177 0.000 1.387 368 M HN 0.392 nan 8.290 nan 0.000 0.420 369 G N -0.177 108.627 108.800 0.007 0.000 2.599 369 G HA2 0.503 4.463 3.960 0.000 0.000 0.264 369 G HA3 0.503 4.463 3.960 0.000 0.000 0.264 369 G C 0.157 175.061 174.900 0.007 0.000 1.200 369 G CA 0.194 45.320 45.100 0.044 0.000 0.896 369 G HN 0.597 nan 8.290 nan 0.000 0.536 370 G N -1.151 107.648 108.800 -0.002 0.000 2.452 370 G HA2 0.287 4.247 3.960 0.000 0.000 0.224 370 G HA3 0.287 4.247 3.960 0.000 0.000 0.224 370 G C -0.972 173.885 174.900 -0.072 0.000 1.208 370 G CA -0.816 44.271 45.100 -0.021 0.000 0.946 370 G HN 0.755 nan 8.290 nan 0.000 0.481 371 I N 2.653 123.170 120.570 -0.089 0.000 2.396 371 I HA 0.266 4.436 4.170 0.000 0.000 0.289 371 I C -2.128 173.908 176.117 -0.135 0.000 1.056 371 I CA -1.504 59.729 61.300 -0.112 0.000 1.365 371 I CB 1.391 39.331 38.000 -0.100 0.000 1.407 371 I HN 0.050 nan 8.210 nan 0.000 0.509 372 P HA -0.023 nan 4.420 nan 0.000 0.260 372 P C -0.519 176.689 177.300 -0.153 0.000 1.172 372 P CA 0.639 63.643 63.100 -0.161 0.000 0.760 372 P CB 0.431 32.044 31.700 -0.145 0.000 0.773 373 T N 2.596 117.050 114.554 -0.166 0.000 2.906 373 T HA 0.297 4.647 4.350 0.000 0.000 0.295 373 T C -0.322 174.297 174.700 -0.134 0.000 1.075 373 T CA -0.663 61.341 62.100 -0.160 0.000 1.005 373 T CB 1.417 70.178 68.868 -0.178 0.000 1.136 373 T HN 0.255 nan 8.240 nan 0.000 0.498 374 N N -0.316 118.299 118.700 -0.141 0.000 2.476 374 N HA 0.239 4.979 4.740 0.000 0.000 0.275 374 N C 0.689 176.151 175.510 -0.079 0.000 1.190 374 N CA -0.521 52.448 53.050 -0.136 0.000 0.977 374 N CB 0.709 39.051 38.487 -0.240 0.000 1.200 374 N HN 0.770 nan 8.380 nan 0.000 0.515 375 Y N 0.452 120.734 120.300 -0.030 0.000 2.680 375 Y HA 0.128 4.678 4.550 -0.000 0.000 0.303 375 Y C 0.836 176.670 175.900 -0.111 0.000 1.166 375 Y CA 0.740 58.849 58.100 0.015 0.000 1.344 375 Y CB -0.089 38.357 38.460 -0.022 0.000 1.002 375 Y HN 0.360 nan 8.280 nan 0.000 0.537 376 K N 0.135 120.262 120.400 -0.456 0.000 2.358 376 K HA 0.320 4.640 4.320 0.000 0.000 0.197 376 K C 1.335 177.909 176.600 -0.043 0.000 1.025 376 K CA 0.414 56.481 56.287 -0.366 0.000 1.104 376 K CB 0.366 32.580 32.500 -0.476 0.000 0.855 376 K HN 0.539 nan 8.250 nan 0.000 0.531 377 G N 1.651 110.457 108.800 0.009 0.000 2.176 377 G HA2 -0.296 3.664 3.960 0.000 0.000 0.253 377 G HA3 -0.296 3.664 3.960 0.000 0.000 0.253 377 G C -0.150 174.716 174.900 -0.057 0.000 0.979 377 G CA -0.155 45.001 45.100 0.094 0.000 0.641 377 G HN 0.353 nan 8.290 nan 0.000 0.530 378 Q N 0.417 120.030 119.800 -0.311 0.000 2.332 378 Q HA 0.499 4.839 4.340 0.000 0.000 0.263 378 Q C 0.528 176.310 176.000 -0.363 0.000 0.979 378 Q CA -0.394 55.025 55.803 -0.641 0.000 0.885 378 Q CB 1.990 30.370 28.738 -0.596 0.000 1.218 378 Q HN 0.191 nan 8.270 nan 0.000 0.405 379 V N 4.299 124.008 119.914 -0.342 0.000 2.637 379 V HA 0.110 4.230 4.120 0.000 0.000 0.296 379 V C 0.220 176.210 176.094 -0.174 0.000 1.046 379 V CA 0.077 62.251 62.300 -0.209 0.000 1.066 379 V CB 0.308 32.031 31.823 -0.167 0.000 0.968 379 V HN 0.556 nan 8.190 nan 0.000 0.483 380 L N 5.799 126.945 121.223 -0.128 0.000 2.334 380 L HA 0.758 5.098 4.340 0.000 0.000 0.273 380 L C 0.027 176.869 176.870 -0.046 0.000 1.013 380 L CA -0.812 53.979 54.840 -0.082 0.000 0.816 380 L CB 1.790 43.816 42.059 -0.056 0.000 1.278 380 L HN 0.755 nan 8.230 nan 0.000 0.431 381 R N -0.632 119.866 120.500 -0.003 0.000 2.854 381 R HA 0.592 4.932 4.340 0.000 0.000 0.271 381 R C -1.177 175.199 176.300 0.128 0.000 0.994 381 R CA -0.992 55.136 56.100 0.047 0.000 0.945 381 R CB 1.556 31.875 30.300 0.031 0.000 1.194 381 R HN 0.436 nan 8.270 nan 0.000 0.476 382 H N 0.713 119.816 119.070 0.055 0.000 2.541 382 H HA 0.484 5.040 4.556 0.000 0.000 0.316 382 H C -1.293 174.059 175.328 0.040 0.000 1.043 382 H CA -0.428 55.653 56.048 0.054 0.000 1.232 382 H CB 1.471 31.290 29.762 0.094 0.000 1.406 382 H HN 0.395 nan 8.280 nan 0.000 0.469 383 V N 5.769 125.545 119.914 -0.229 0.000 2.483 383 V HA 0.165 4.285 4.120 0.000 0.000 0.297 383 V C 0.486 176.436 176.094 -0.239 0.000 1.027 383 V CA -1.078 61.124 62.300 -0.164 0.000 0.855 383 V CB 1.382 33.146 31.823 -0.097 0.000 0.995 383 V HN 1.135 nan 8.190 nan 0.000 0.424 384 N N 3.718 122.317 118.700 -0.168 0.000 2.725 384 N HA -0.216 4.524 4.740 0.000 0.000 0.251 384 N C 0.991 176.375 175.510 -0.210 0.000 1.031 384 N CA 0.595 53.560 53.050 -0.142 0.000 0.720 384 N CB -0.540 37.883 38.487 -0.106 0.000 0.930 384 N HN 1.635 nan 8.380 nan 0.000 0.543 385 G N -0.258 108.356 108.800 -0.311 0.000 2.258 385 G HA2 -0.320 3.640 3.960 0.000 0.000 0.274 385 G HA3 -0.320 3.640 3.960 0.000 0.000 0.274 385 G C -0.238 174.407 174.900 -0.424 0.000 1.021 385 G CA 1.076 45.997 45.100 -0.298 0.000 0.798 385 G HN 0.681 nan 8.290 nan 0.000 0.507 386 Q N -0.560 118.846 119.800 -0.656 0.000 2.421 386 Q HA 0.391 4.731 4.340 0.000 0.000 0.280 386 Q C -1.144 174.699 176.000 -0.261 0.000 1.085 386 Q CA -1.119 54.499 55.803 -0.309 0.000 0.807 386 Q CB 1.679 30.314 28.738 -0.171 0.000 1.405 386 Q HN 0.228 nan 8.270 nan 0.000 0.419 387 D N 2.057 122.436 120.400 -0.035 0.000 2.382 387 D HA 0.099 4.739 4.640 0.000 0.000 0.245 387 D C -0.660 175.625 176.300 -0.026 0.000 1.120 387 D CA 0.384 54.403 54.000 0.032 0.000 0.890 387 D CB 1.086 41.922 40.800 0.059 0.000 1.201 387 D HN 0.294 nan 8.370 nan 0.000 0.433 388 Q N 0.968 120.754 119.800 -0.023 0.000 2.271 388 Q HA 0.326 4.666 4.340 0.000 0.000 0.268 388 Q C -1.536 174.428 176.000 -0.059 0.000 1.021 388 Q CA -0.747 55.029 55.803 -0.045 0.000 0.802 388 Q CB 1.972 30.682 28.738 -0.046 0.000 1.282 388 Q HN 0.177 nan 8.270 nan 0.000 0.431 389 V N 3.830 123.695 119.914 -0.080 0.000 2.521 389 V HA 0.100 4.220 4.120 0.000 0.000 0.286 389 V C 0.028 176.054 176.094 -0.114 0.000 1.034 389 V CA -0.219 62.008 62.300 -0.121 0.000 1.045 389 V CB 1.170 32.907 31.823 -0.144 0.000 0.974 389 V HN 0.571 nan 8.190 nan 0.000 0.480 390 V N 8.801 128.635 119.914 -0.133 0.000 2.415 390 V HA 0.159 4.279 4.120 0.000 0.000 0.267 390 V C -2.002 174.018 176.094 -0.124 0.000 1.042 390 V CA -1.570 60.666 62.300 -0.108 0.000 1.000 390 V CB 0.606 32.367 31.823 -0.102 0.000 1.015 390 V HN 0.788 nan 8.190 nan 0.000 0.478 391 P HA 0.085 nan 4.420 nan 0.000 0.260 391 P C 0.944 178.224 177.300 -0.034 0.000 1.172 391 P CA 1.311 64.377 63.100 -0.056 0.000 0.760 391 P CB 0.356 32.037 31.700 -0.030 0.000 0.773 392 G N 2.042 110.842 108.800 0.001 0.000 2.273 392 G HA2 -0.206 3.754 3.960 0.000 0.000 0.280 392 G HA3 -0.206 3.754 3.960 0.000 0.000 0.280 392 G C -0.467 174.479 174.900 0.076 0.000 1.047 392 G CA -0.142 45.004 45.100 0.075 0.000 0.869 392 G HN 0.566 nan 8.290 nan 0.000 0.502 393 L N -0.297 120.919 121.223 -0.011 0.000 2.476 393 L HA 0.834 5.174 4.340 0.000 0.000 0.269 393 L C -0.993 175.786 176.870 -0.151 0.000 0.965 393 L CA -1.712 53.119 54.840 -0.016 0.000 0.845 393 L CB 1.280 43.295 42.059 -0.073 0.000 1.259 393 L HN 0.118 nan 8.230 nan 0.000 0.403 394 Y N 2.873 123.116 120.300 -0.095 0.000 2.633 394 Y HA 0.928 5.478 4.550 0.000 0.000 0.339 394 Y C 0.009 175.853 175.900 -0.095 0.000 1.045 394 Y CA -0.568 57.473 58.100 -0.098 0.000 1.098 394 Y CB 2.354 40.750 38.460 -0.107 0.000 1.296 394 Y HN 0.712 nan 8.280 nan 0.000 0.494 395 A N 0.540 123.400 122.820 0.067 0.000 2.547 395 A HA 0.837 5.157 4.320 0.000 0.000 0.297 395 A C -1.315 176.266 177.584 -0.004 0.000 1.056 395 A CA -0.621 51.415 52.037 -0.002 0.000 0.688 395 A CB 0.470 19.437 19.000 -0.055 0.000 1.282 395 A HN 1.135 nan 8.150 nan 0.000 0.400 396 C N -0.283 119.012 119.300 -0.008 0.000 3.288 396 C HA 1.039 5.499 4.460 0.000 0.000 0.318 396 C C 0.696 175.690 174.990 0.007 0.000 1.356 396 C CA -0.059 58.964 59.018 0.008 0.000 1.359 396 C CB 0.957 28.747 27.740 0.083 0.000 1.688 396 C HN 3.043 nan 8.230 nan 0.000 0.467 397 G N 0.658 109.479 108.800 0.035 0.000 2.587 397 G HA2 -0.129 3.831 3.960 0.000 0.000 0.212 397 G HA3 -0.129 3.831 3.960 0.000 0.000 0.212 397 G C 0.385 175.318 174.900 0.055 0.000 1.327 397 G CA 0.702 45.844 45.100 0.070 0.000 0.898 397 G HN 1.318 nan 8.290 nan 0.000 0.551 398 E N -0.106 120.126 120.200 0.052 0.000 2.153 398 E HA 0.020 4.370 4.350 0.000 0.000 0.194 398 E C 2.751 179.268 176.600 -0.137 0.000 0.988 398 E CA 1.848 58.210 56.400 -0.063 0.000 0.811 398 E CB -0.373 29.227 29.700 -0.166 0.000 0.746 398 E HN 1.045 nan 8.360 nan 0.000 0.466 399 A N 0.692 123.461 122.820 -0.086 0.000 2.121 399 A HA 0.170 4.490 4.320 0.000 0.000 0.218 399 A C 1.170 178.713 177.584 -0.067 0.000 1.154 399 A CA 0.956 52.952 52.037 -0.068 0.000 0.679 399 A CB -0.266 18.701 19.000 -0.055 0.000 0.795 399 A HN 0.334 nan 8.150 nan 0.000 0.458 400 A N -2.028 120.747 122.820 -0.076 0.000 2.269 400 A HA 0.515 4.835 4.320 0.000 0.000 0.319 400 A C -0.038 177.472 177.584 -0.123 0.000 1.110 400 A CA 0.014 51.989 52.037 -0.104 0.000 0.847 400 A CB 0.726 19.654 19.000 -0.121 0.000 1.161 400 A HN 0.751 nan 8.150 nan 0.000 0.497 401 C N 1.367 120.572 119.300 -0.159 0.000 3.465 401 C HA 0.578 5.038 4.460 0.000 0.000 0.193 401 C C 1.426 176.272 174.990 -0.240 0.000 1.515 401 C CA -0.015 58.897 59.018 -0.176 0.000 1.340 401 C CB -1.168 26.481 27.740 -0.151 0.000 1.928 401 C HN 1.002 nan 8.230 nan 0.000 0.510 402 A N 1.204 123.839 122.820 -0.309 0.000 2.121 402 A HA 0.164 4.484 4.320 0.000 0.000 0.218 402 A C 1.394 178.830 177.584 -0.247 0.000 1.154 402 A CA 1.403 53.258 52.037 -0.303 0.000 0.679 402 A CB -0.341 18.351 19.000 -0.514 0.000 0.795 402 A HN 1.780 nan 8.150 nan 0.000 0.458 403 S N -2.142 113.402 115.700 -0.261 0.000 3.727 403 S HA -0.133 4.337 4.470 0.000 0.000 0.444 403 S C 0.447 174.954 174.600 -0.156 0.000 0.867 403 S CA 0.512 58.603 58.200 -0.183 0.000 1.324 403 S CB -1.603 61.482 63.200 -0.192 0.000 0.890 403 S HN 1.381 nan 8.310 nan 0.000 0.599 404 V N 3.724 123.453 119.914 -0.309 0.000 3.650 404 V HA 0.211 4.331 4.120 0.000 0.000 0.271 404 V C 1.553 177.485 176.094 -0.270 0.000 1.281 404 V CA 1.244 63.390 62.300 -0.257 0.000 1.120 404 V CB -0.056 31.606 31.823 -0.269 0.000 0.856 404 V HN 0.864 nan 8.190 nan 0.000 0.443 405 H N -0.131 118.936 119.070 -0.004 0.000 2.639 405 H HA 0.413 4.969 4.556 0.000 0.000 0.267 405 H C 1.705 177.013 175.328 -0.034 0.000 0.958 405 H CA 0.565 56.613 56.048 -0.000 0.000 1.221 405 H CB 0.337 30.145 29.762 0.077 0.000 1.446 405 H HN 0.480 nan 8.280 nan 0.000 0.512 406 G N 1.337 110.158 108.800 0.035 0.000 2.629 406 G HA2 -0.405 3.555 3.960 0.000 0.000 0.313 406 G HA3 -0.405 3.555 3.960 0.000 0.000 0.313 406 G C 1.295 176.093 174.900 -0.170 0.000 1.217 406 G CA 1.525 46.595 45.100 -0.049 0.000 0.994 406 G HN 0.606 nan 8.290 nan 0.000 0.549 407 A N 0.352 123.058 122.820 -0.190 0.000 2.251 407 A HA 0.461 4.781 4.320 0.000 0.000 0.209 407 A C 0.922 178.606 177.584 0.166 0.000 1.187 407 A CA 1.559 53.504 52.037 -0.154 0.000 0.823 407 A CB -0.212 18.827 19.000 0.064 0.000 0.846 407 A HN 1.323 nan 8.150 nan 0.000 0.486 408 N N -0.214 118.544 118.700 0.096 0.000 2.718 408 N HA 0.065 4.805 4.740 0.000 0.000 0.260 408 N C -1.279 174.266 175.510 0.059 0.000 1.089 408 N CA -0.439 52.672 53.050 0.101 0.000 1.021 408 N CB 1.136 39.668 38.487 0.075 0.000 1.618 408 N HN 0.344 nan 8.380 nan 0.000 0.554 409 R N 3.489 124.006 120.500 0.029 0.000 2.389 409 R HA 0.252 4.592 4.340 0.000 0.000 0.295 409 R C -0.639 175.590 176.300 -0.118 0.000 1.075 409 R CA -0.323 55.712 56.100 -0.108 0.000 1.005 409 R CB 0.577 30.560 30.300 -0.529 0.000 0.987 409 R HN 0.390 nan 8.270 nan 0.000 0.452 410 L N 4.138 125.332 121.223 -0.048 0.000 2.331 410 L HA 0.287 4.627 4.340 0.000 0.000 0.278 410 L C 0.567 177.390 176.870 -0.078 0.000 1.106 410 L CA 0.647 55.457 54.840 -0.049 0.000 0.824 410 L CB 1.237 43.323 42.059 0.045 0.000 1.142 410 L HN 0.862 nan 8.230 nan 0.000 0.443 411 G N 3.825 112.524 108.800 -0.168 0.000 2.321 411 G HA2 0.348 4.308 3.960 0.000 0.000 0.237 411 G HA3 0.348 4.308 3.960 0.000 0.000 0.237 411 G C 0.730 175.715 174.900 0.141 0.000 1.282 411 G CA 0.287 45.267 45.100 -0.201 0.000 0.886 411 G HN 1.623 nan 8.290 nan 0.000 0.528 412 A N 1.681 124.667 122.820 0.277 0.000 3.028 412 A HA -0.182 4.138 4.320 0.000 0.000 0.248 412 A C 1.495 179.201 177.584 0.204 0.000 1.316 412 A CA 1.326 53.554 52.037 0.319 0.000 1.003 412 A CB -1.794 17.467 19.000 0.435 0.000 1.148 412 A HN 0.695 nan 8.150 nan 0.000 0.828 413 N N -0.989 117.796 118.700 0.141 0.000 2.250 413 N HA 0.173 4.913 4.740 0.000 0.000 0.190 413 N C 1.578 177.218 175.510 0.216 0.000 1.116 413 N CA 1.120 54.298 53.050 0.212 0.000 0.881 413 N CB 0.284 38.923 38.487 0.253 0.000 1.006 413 N HN 0.557 nan 8.380 nan 0.000 0.491 414 S N 0.058 115.774 115.700 0.028 0.000 2.362 414 S HA 0.136 4.606 4.470 0.000 0.000 0.221 414 S C 1.744 176.431 174.600 0.145 0.000 1.032 414 S CA 0.560 58.776 58.200 0.026 0.000 0.973 414 S CB -0.177 62.887 63.200 -0.226 0.000 0.849 414 S HN 0.213 nan 8.310 nan 0.000 0.465 415 L N 1.135 122.431 121.223 0.121 0.000 2.079 415 L HA -0.110 4.230 4.340 0.000 0.000 0.210 415 L C 2.491 179.459 176.870 0.164 0.000 1.081 415 L CA 0.984 55.907 54.840 0.137 0.000 0.752 415 L CB -0.549 41.587 42.059 0.128 0.000 0.896 415 L HN 0.380 nan 8.230 nan 0.000 0.433 416 L N 0.402 121.735 121.223 0.183 0.000 2.027 416 L HA -0.228 4.112 4.340 0.000 0.000 0.206 416 L C 2.137 179.140 176.870 0.222 0.000 1.074 416 L CA 2.107 57.059 54.840 0.187 0.000 0.745 416 L CB -0.646 41.539 42.059 0.211 0.000 0.898 416 L HN 0.239 nan 8.230 nan 0.000 0.433 417 D N -0.656 119.921 120.400 0.295 0.000 2.104 417 D HA -0.235 4.405 4.640 0.000 0.000 0.194 417 D C 2.062 178.593 176.300 0.385 0.000 0.994 417 D CA 1.649 55.900 54.000 0.418 0.000 0.830 417 D CB -0.142 40.893 40.800 0.391 0.000 0.959 417 D HN 0.258 nan 8.370 nan 0.000 0.452 418 L N 0.144 121.519 121.223 0.253 0.000 1.956 418 L HA -0.174 4.166 4.340 0.000 0.000 0.216 418 L C 2.843 179.809 176.870 0.161 0.000 1.073 418 L CA 1.282 56.234 54.840 0.186 0.000 0.762 418 L CB -1.138 41.005 42.059 0.141 0.000 0.889 418 L HN 0.044 nan 8.230 nan 0.000 0.433 419 V N -1.195 118.800 119.914 0.136 0.000 2.332 419 V HA -0.285 3.835 4.120 0.000 0.000 0.248 419 V C 2.402 178.527 176.094 0.051 0.000 1.055 419 V CA 1.533 63.888 62.300 0.091 0.000 1.038 419 V CB -0.352 31.530 31.823 0.098 0.000 0.651 419 V HN 0.268 nan 8.190 nan 0.000 0.450 420 V N -0.658 119.285 119.914 0.048 0.000 2.237 420 V HA -0.248 3.872 4.120 0.000 0.000 0.245 420 V C 2.096 178.102 176.094 -0.147 0.000 1.046 420 V CA 2.366 64.606 62.300 -0.100 0.000 1.007 420 V CB -0.743 30.941 31.823 -0.233 0.000 0.638 420 V HN 0.497 nan 8.190 nan 0.000 0.445 421 F N 1.011 121.021 119.950 0.099 0.000 2.558 421 F HA 0.165 4.692 4.527 -0.000 0.000 0.298 421 F C 2.277 178.078 175.800 0.001 0.000 1.119 421 F CA 0.889 58.925 58.000 0.060 0.000 1.451 421 F CB -0.998 38.027 39.000 0.040 0.000 1.091 421 F HN 0.179 nan 8.300 nan 0.000 0.563 422 G N 0.122 108.995 108.800 0.122 0.000 2.408 422 G HA2 -0.241 3.719 3.960 0.000 0.000 0.217 422 G HA3 -0.241 3.719 3.960 0.000 0.000 0.217 422 G C 1.777 176.629 174.900 -0.080 0.000 1.150 422 G CA 0.591 45.691 45.100 0.001 0.000 0.776 422 G HN 0.281 nan 8.290 nan 0.000 0.542 423 R N 0.461 120.923 120.500 -0.064 0.000 2.073 423 R HA 0.142 4.482 4.340 0.000 0.000 0.229 423 R C 2.832 179.094 176.300 -0.064 0.000 1.120 423 R CA 1.369 57.416 56.100 -0.087 0.000 0.967 423 R CB -0.398 29.869 30.300 -0.055 0.000 0.862 423 R HN 0.232 nan 8.270 nan 0.000 0.436 424 A N 0.676 123.484 122.820 -0.020 0.000 1.883 424 A HA -0.211 4.109 4.320 0.000 0.000 0.217 424 A C 2.471 180.018 177.584 -0.060 0.000 1.186 424 A CA 1.723 53.745 52.037 -0.025 0.000 0.624 424 A CB -1.063 17.895 19.000 -0.069 0.000 0.822 424 A HN 0.608 nan 8.150 nan 0.000 0.444 425 C N -1.113 118.151 119.300 -0.060 0.000 2.413 425 C HA 0.022 4.482 4.460 0.000 0.000 0.276 425 C C 3.343 178.100 174.990 -0.390 0.000 1.236 425 C CA 0.850 59.751 59.018 -0.194 0.000 1.735 425 C CB -1.449 26.193 27.740 -0.163 0.000 2.031 425 C HN 0.716 nan 8.230 nan 0.000 0.474 426 A N 0.319 122.957 122.820 -0.303 0.000 1.908 426 A HA -0.135 4.185 4.320 0.000 0.000 0.218 426 A C 2.132 179.550 177.584 -0.277 0.000 1.181 426 A CA 1.613 53.449 52.037 -0.334 0.000 0.627 426 A CB -0.661 18.178 19.000 -0.269 0.000 0.818 426 A HN 0.633 nan 8.150 nan 0.000 0.445 427 L N -0.550 120.572 121.223 -0.168 0.000 2.056 427 L HA -0.144 4.196 4.340 0.000 0.000 0.207 427 L C 2.810 179.619 176.870 -0.100 0.000 1.078 427 L CA 1.428 56.212 54.840 -0.095 0.000 0.749 427 L CB -0.444 41.596 42.059 -0.032 0.000 0.901 427 L HN 0.325 nan 8.230 nan 0.000 0.433 428 S N 0.020 115.645 115.700 -0.124 0.000 2.399 428 S HA -0.094 4.376 4.470 0.000 0.000 0.231 428 S C 1.914 176.450 174.600 -0.107 0.000 1.022 428 S CA 1.151 59.313 58.200 -0.063 0.000 0.983 428 S CB -0.174 63.079 63.200 0.088 0.000 0.803 428 S HN 0.307 nan 8.310 nan 0.000 0.480 429 I N 1.341 121.722 120.570 -0.315 0.000 2.333 429 I HA -0.070 4.100 4.170 0.000 0.000 0.246 429 I C 2.635 178.608 176.117 -0.240 0.000 1.106 429 I CA 0.914 61.988 61.300 -0.376 0.000 1.411 429 I CB -0.429 37.152 38.000 -0.699 0.000 1.082 429 I HN 0.240 nan 8.210 nan 0.000 0.420 430 A N 0.380 123.072 122.820 -0.214 0.000 2.015 430 A HA -0.173 4.147 4.320 0.000 0.000 0.219 430 A C 2.106 179.769 177.584 0.131 0.000 1.163 430 A CA 1.482 53.585 52.037 0.111 0.000 0.646 430 A CB -0.449 18.619 19.000 0.114 0.000 0.806 430 A HN 0.445 nan 8.150 nan 0.000 0.448 431 E N -0.264 119.961 120.200 0.041 0.000 2.442 431 E HA -0.035 4.315 4.350 0.000 0.000 0.195 431 E C 1.773 178.402 176.600 0.048 0.000 1.030 431 E CA 0.762 57.189 56.400 0.044 0.000 0.869 431 E CB 0.115 29.828 29.700 0.021 0.000 0.857 431 E HN 0.763 nan 8.360 nan 0.000 0.505 432 S N -0.830 114.901 115.700 0.051 0.000 2.505 432 S HA 0.107 4.577 4.470 0.000 0.000 0.216 432 S C 0.770 175.417 174.600 0.078 0.000 1.018 432 S CA -0.234 57.999 58.200 0.055 0.000 0.911 432 S CB -0.119 63.113 63.200 0.054 0.000 0.818 432 S HN 0.349 nan 8.310 nan 0.000 0.497 433 C N 0.010 119.387 119.300 0.128 0.000 3.316 433 C HA 0.850 5.310 4.460 0.000 0.000 0.360 433 C C -1.527 173.595 174.990 0.220 0.000 1.560 433 C CA -1.073 58.039 59.018 0.156 0.000 1.229 433 C CB 1.064 28.904 27.740 0.166 0.000 1.823 433 C HN 0.255 nan 8.230 nan 0.000 0.440 434 R N 0.571 121.145 120.500 0.122 0.000 2.750 434 R HA 0.651 4.991 4.340 0.000 0.000 0.281 434 R C -3.015 173.152 176.300 -0.222 0.000 0.972 434 R CA -1.936 54.123 56.100 -0.067 0.000 0.912 434 R CB 1.578 31.836 30.300 -0.070 0.000 1.187 434 R HN 0.553 nan 8.270 nan 0.000 0.464 435 P HA 0.070 nan 4.420 nan 0.000 0.266 435 P C 0.641 177.816 177.300 -0.209 0.000 1.195 435 P CA 0.868 63.623 63.100 -0.575 0.000 0.768 435 P CB 0.551 31.792 31.700 -0.766 0.000 0.838 436 G N 1.242 109.991 108.800 -0.085 0.000 2.195 436 G HA2 -0.188 3.772 3.960 0.000 0.000 0.246 436 G HA3 -0.188 3.772 3.960 0.000 0.000 0.246 436 G C 0.161 175.052 174.900 -0.015 0.000 0.984 436 G CA -0.285 44.787 45.100 -0.045 0.000 0.633 436 G HN 0.495 nan 8.290 nan 0.000 0.525 437 D N 0.564 120.966 120.400 0.004 0.000 2.362 437 D HA 0.235 4.875 4.640 0.000 0.000 0.238 437 D C 0.917 177.235 176.300 0.029 0.000 1.212 437 D CA 0.200 54.213 54.000 0.022 0.000 0.902 437 D CB 0.497 41.326 40.800 0.048 0.000 1.180 437 D HN 0.445 nan 8.370 nan 0.000 0.445 438 K N 0.584 120.999 120.400 0.025 0.000 2.453 438 K HA 0.075 4.395 4.320 0.000 0.000 0.280 438 K C -0.917 175.704 176.600 0.035 0.000 1.045 438 K CA -0.235 56.066 56.287 0.024 0.000 1.059 438 K CB 0.327 32.838 32.500 0.018 0.000 0.901 438 K HN 0.060 nan 8.250 nan 0.000 0.475 439 V N 8.073 128.008 119.914 0.035 0.000 2.408 439 V HA 0.153 4.273 4.120 0.000 0.000 0.267 439 V C -1.894 174.221 176.094 0.035 0.000 1.047 439 V CA -1.784 60.542 62.300 0.044 0.000 0.937 439 V CB 0.621 32.475 31.823 0.052 0.000 0.999 439 V HN 0.898 nan 8.190 nan 0.000 0.472 440 P HA -0.029 nan 4.420 nan 0.000 0.269 440 P C 0.343 177.657 177.300 0.023 0.000 1.185 440 P CA 0.400 63.515 63.100 0.025 0.000 0.769 440 P CB 0.302 32.016 31.700 0.024 0.000 0.809 441 S N 1.779 117.489 115.700 0.017 0.000 2.633 441 S HA 0.435 4.905 4.470 0.000 0.000 0.257 441 S C -0.127 174.482 174.600 0.015 0.000 1.265 441 S CA -0.127 58.082 58.200 0.015 0.000 0.980 441 S CB 0.259 63.465 63.200 0.010 0.000 1.017 441 S HN 0.393 nan 8.310 nan 0.000 0.577 442 I N -0.245 120.333 120.570 0.013 0.000 2.710 442 I HA 0.351 4.521 4.170 0.000 0.000 0.290 442 I C -1.175 174.947 176.117 0.010 0.000 1.318 442 I CA -0.471 60.837 61.300 0.013 0.000 1.045 442 I CB 1.953 39.964 38.000 0.019 0.000 1.307 442 I HN 0.795 nan 8.210 nan 0.000 0.424 443 K N 7.825 128.230 120.400 0.007 0.000 2.448 443 K HA 0.204 4.524 4.320 0.000 0.000 0.278 443 K C -1.851 174.752 176.600 0.006 0.000 1.009 443 K CA -1.059 55.231 56.287 0.005 0.000 0.995 443 K CB 0.192 32.694 32.500 0.003 0.000 0.917 443 K HN 0.350 nan 8.250 nan 0.000 0.481 444 P HA -0.142 nan 4.420 nan 0.000 0.227 444 P C -0.073 177.230 177.300 0.005 0.000 1.145 444 P CA 1.126 64.229 63.100 0.005 0.000 0.769 444 P CB 0.214 31.916 31.700 0.003 0.000 0.769 445 N N -1.634 117.069 118.700 0.004 0.000 2.177 445 N HA 0.140 4.880 4.740 0.000 0.000 0.218 445 N C 0.239 175.751 175.510 0.003 0.000 1.182 445 N CA -0.124 52.928 53.050 0.003 0.000 0.882 445 N CB 0.420 38.908 38.487 0.002 0.000 1.052 445 N HN 0.002 nan 8.380 nan 0.000 0.519 446 A N 0.352 123.175 122.820 0.005 0.000 2.548 446 A HA 0.409 4.729 4.320 0.000 0.000 0.247 446 A C 1.442 179.029 177.584 0.005 0.000 1.067 446 A CA 1.104 53.143 52.037 0.005 0.000 0.757 446 A CB -0.352 18.652 19.000 0.008 0.000 0.996 446 A HN 0.449 nan 8.150 nan 0.000 0.504 447 G N 1.732 110.533 108.800 0.001 0.000 2.175 447 G HA2 -0.303 3.657 3.960 0.000 0.000 0.244 447 G HA3 -0.303 3.657 3.960 0.000 0.000 0.244 447 G C 0.828 175.721 174.900 -0.012 0.000 0.982 447 G CA 0.940 46.038 45.100 -0.002 0.000 0.641 447 G HN 0.956 nan 8.290 nan 0.000 0.527 448 E N 0.500 120.694 120.200 -0.010 0.000 2.130 448 E HA -0.164 4.186 4.350 0.000 0.000 0.196 448 E C 2.138 178.723 176.600 -0.025 0.000 0.998 448 E CA 1.801 58.191 56.400 -0.016 0.000 0.806 448 E CB -0.161 29.534 29.700 -0.008 0.000 0.738 448 E HN 0.761 nan 8.360 nan 0.000 0.459 449 E N -0.215 119.973 120.200 -0.020 0.000 2.077 449 E HA -0.156 4.194 4.350 0.000 0.000 0.193 449 E C 2.270 178.851 176.600 -0.031 0.000 0.989 449 E CA 1.249 57.636 56.400 -0.021 0.000 0.800 449 E CB -0.031 29.661 29.700 -0.013 0.000 0.746 449 E HN 0.161 nan 8.360 nan 0.000 0.452 450 S N 0.672 116.355 115.700 -0.029 0.000 2.359 450 S HA -0.144 4.326 4.470 0.000 0.000 0.224 450 S C 2.283 176.838 174.600 -0.074 0.000 1.035 450 S CA 1.114 59.293 58.200 -0.034 0.000 1.018 450 S CB -0.265 62.926 63.200 -0.016 0.000 0.876 450 S HN 0.061 nan 8.310 nan 0.000 0.448 451 V N 2.241 122.095 119.914 -0.100 0.000 2.332 451 V HA -0.235 3.885 4.120 0.000 0.000 0.248 451 V C 2.276 178.241 176.094 -0.214 0.000 1.055 451 V CA 1.820 63.998 62.300 -0.203 0.000 1.038 451 V CB -0.726 30.988 31.823 -0.182 0.000 0.651 451 V HN 0.458 nan 8.190 nan 0.000 0.450 452 M N 0.305 119.838 119.600 -0.113 0.000 2.065 452 M HA -0.214 4.266 4.480 0.000 0.000 0.259 452 M C 2.344 178.607 176.300 -0.063 0.000 1.069 452 M CA 2.267 57.525 55.300 -0.070 0.000 1.110 452 M CB -0.846 31.732 32.600 -0.038 0.000 1.328 452 M HN 0.508 nan 8.290 nan 0.000 0.405 453 N N 1.035 119.700 118.700 -0.060 0.000 2.149 453 N HA -0.187 4.553 4.740 0.000 0.000 0.188 453 N C 1.739 177.212 175.510 -0.061 0.000 1.019 453 N CA 1.121 54.142 53.050 -0.049 0.000 0.857 453 N CB -0.082 38.380 38.487 -0.041 0.000 0.997 453 N HN 0.265 nan 8.380 nan 0.000 0.426 454 L N 2.021 123.182 121.223 -0.104 0.000 1.976 454 L HA -0.183 4.157 4.340 0.000 0.000 0.209 454 L C 2.094 178.921 176.870 -0.072 0.000 1.071 454 L CA 2.172 56.933 54.840 -0.131 0.000 0.746 454 L CB -1.737 40.178 42.059 -0.240 0.000 0.890 454 L HN 0.162 nan 8.230 nan 0.000 0.432 455 D N -0.382 119.960 120.400 -0.096 0.000 2.158 455 D HA -0.280 4.360 4.640 0.000 0.000 0.197 455 D C 2.101 178.544 176.300 0.239 0.000 0.995 455 D CA 1.663 55.768 54.000 0.174 0.000 0.846 455 D CB 0.140 41.036 40.800 0.161 0.000 0.941 455 D HN 0.193 nan 8.370 nan 0.000 0.456 456 K N -0.212 120.245 120.400 0.094 0.000 1.969 456 K HA -0.114 4.206 4.320 0.000 0.000 0.216 456 K C 1.995 178.647 176.600 0.088 0.000 1.048 456 K CA 1.311 57.644 56.287 0.077 0.000 0.948 456 K CB -0.802 31.704 32.500 0.010 0.000 0.726 456 K HN 0.116 nan 8.250 nan 0.000 0.442 457 L N 1.469 122.705 121.223 0.021 0.000 2.189 457 L HA -0.104 4.236 4.340 0.000 0.000 0.214 457 L C 2.491 179.351 176.870 -0.017 0.000 1.097 457 L CA 1.462 56.293 54.840 -0.015 0.000 0.764 457 L CB -0.824 41.203 42.059 -0.054 0.000 0.900 457 L HN 0.247 nan 8.230 nan 0.000 0.436 458 R N -0.208 120.301 120.500 0.016 0.000 2.103 458 R HA -0.145 4.195 4.340 0.000 0.000 0.242 458 R C 1.111 177.233 176.300 -0.296 0.000 1.142 458 R CA 1.642 57.674 56.100 -0.113 0.000 0.960 458 R CB -0.330 29.974 30.300 0.006 0.000 0.858 458 R HN 0.359 nan 8.270 nan 0.000 0.439 459 F N -0.055 119.891 119.950 -0.006 0.000 2.772 459 F HA 0.416 4.943 4.527 0.000 0.000 0.302 459 F C 0.442 176.210 175.800 -0.054 0.000 1.136 459 F CA -0.525 57.461 58.000 -0.024 0.000 1.322 459 F CB -0.035 38.961 39.000 -0.006 0.000 0.967 459 F HN -0.123 nan 8.300 nan 0.000 0.513 460 A N 0.783 123.633 122.820 0.051 0.000 2.553 460 A HA -0.001 4.319 4.320 0.000 0.000 0.258 460 A C 0.805 178.349 177.584 -0.068 0.000 1.069 460 A CA 0.325 52.355 52.037 -0.011 0.000 0.767 460 A CB -0.444 18.526 19.000 -0.050 0.000 0.997 460 A HN 0.649 nan 8.150 nan 0.000 0.512 461 N N 2.226 120.902 118.700 -0.041 0.000 2.321 461 N HA 0.187 4.927 4.740 0.000 0.000 0.242 461 N C 1.153 176.627 175.510 -0.060 0.000 1.141 461 N CA -0.007 53.001 53.050 -0.070 0.000 0.864 461 N CB 0.497 38.969 38.487 -0.024 0.000 1.100 461 N HN 0.813 nan 8.380 nan 0.000 0.510 462 G N -0.265 108.505 108.800 -0.051 0.000 2.393 462 G HA2 -0.115 3.845 3.960 0.000 0.000 0.268 462 G HA3 -0.115 3.845 3.960 0.000 0.000 0.268 462 G C 0.723 175.612 174.900 -0.018 0.000 1.472 462 G CA 0.408 45.507 45.100 -0.001 0.000 1.059 462 G HN 0.097 nan 8.290 nan 0.000 0.555 463 T N -1.123 113.437 114.554 0.011 0.000 2.954 463 T HA 0.296 4.646 4.350 0.000 0.000 0.252 463 T C 0.771 175.480 174.700 0.015 0.000 0.983 463 T CA -0.321 61.776 62.100 -0.006 0.000 0.941 463 T CB -0.119 68.724 68.868 -0.042 0.000 1.141 463 T HN 0.252 nan 8.240 nan 0.000 0.500 464 I N 2.542 123.131 120.570 0.032 0.000 2.359 464 I HA 0.461 4.631 4.170 0.000 0.000 0.294 464 I C 0.227 176.373 176.117 0.048 0.000 0.987 464 I CA -0.949 60.377 61.300 0.043 0.000 1.225 464 I CB 1.491 39.521 38.000 0.051 0.000 1.366 464 I HN -0.061 nan 8.210 nan 0.000 0.466 465 R N 3.549 124.097 120.500 0.081 0.000 2.438 465 R HA 0.182 4.522 4.340 0.000 0.000 0.287 465 R C 0.904 177.252 176.300 0.080 0.000 1.077 465 R CA -0.101 56.071 56.100 0.119 0.000 1.034 465 R CB 1.018 31.421 30.300 0.173 0.000 0.993 465 R HN 0.753 nan 8.270 nan 0.000 0.459 466 T N 1.383 115.981 114.554 0.072 0.000 2.653 466 T HA -0.272 4.078 4.350 0.000 0.000 0.268 466 T C 1.825 176.555 174.700 0.050 0.000 1.035 466 T CA 2.242 64.368 62.100 0.044 0.000 1.154 466 T CB -0.269 68.620 68.868 0.035 0.000 0.862 466 T HN 0.820 nan 8.240 nan 0.000 0.441 467 S N 1.809 117.547 115.700 0.063 0.000 2.368 467 S HA -0.168 4.302 4.470 0.000 0.000 0.225 467 S C 1.894 176.533 174.600 0.064 0.000 1.030 467 S CA 1.281 59.518 58.200 0.061 0.000 0.999 467 S CB -0.509 62.725 63.200 0.056 0.000 0.844 467 S HN 0.635 nan 8.310 nan 0.000 0.459 468 E N 0.947 121.184 120.200 0.062 0.000 2.058 468 E HA -0.115 4.235 4.350 0.000 0.000 0.194 468 E C 2.089 178.718 176.600 0.048 0.000 0.997 468 E CA 1.272 57.705 56.400 0.055 0.000 0.801 468 E CB -0.359 29.373 29.700 0.053 0.000 0.746 468 E HN 0.389 nan 8.360 nan 0.000 0.450 469 L N 1.479 122.729 121.223 0.044 0.000 2.017 469 L HA -0.162 4.178 4.340 0.000 0.000 0.208 469 L C 2.387 179.282 176.870 0.041 0.000 1.073 469 L CA 1.733 56.593 54.840 0.034 0.000 0.745 469 L CB -0.428 41.643 42.059 0.020 0.000 0.894 469 L HN -0.039 nan 8.230 nan 0.000 0.432 470 R N -0.862 119.668 120.500 0.050 0.000 2.091 470 R HA -0.203 4.137 4.340 0.000 0.000 0.238 470 R C 2.256 178.609 176.300 0.089 0.000 1.136 470 R CA 1.897 58.038 56.100 0.068 0.000 0.959 470 R CB -0.508 29.837 30.300 0.076 0.000 0.856 470 R HN 0.391 nan 8.270 nan 0.000 0.437 471 L N 0.727 122.005 121.223 0.091 0.000 2.131 471 L HA -0.081 4.259 4.340 0.000 0.000 0.210 471 L C 1.943 178.847 176.870 0.057 0.000 1.092 471 L CA 1.718 56.622 54.840 0.106 0.000 0.759 471 L CB -0.311 41.804 42.059 0.094 0.000 0.903 471 L HN 0.065 nan 8.230 nan 0.000 0.435 472 S N -0.810 114.913 115.700 0.039 0.000 2.368 472 S HA -0.182 4.288 4.470 0.000 0.000 0.224 472 S C 1.909 176.517 174.600 0.014 0.000 1.029 472 S CA 1.603 59.813 58.200 0.017 0.000 0.988 472 S CB -0.354 62.857 63.200 0.018 0.000 0.838 472 S HN 0.581 nan 8.310 nan 0.000 0.462 473 M N 1.488 121.104 119.600 0.027 0.000 2.099 473 M HA -0.181 4.299 4.480 0.000 0.000 0.262 473 M C 2.151 178.457 176.300 0.010 0.000 1.067 473 M CA 1.488 56.798 55.300 0.016 0.000 1.124 473 M CB -0.316 32.304 32.600 0.033 0.000 1.353 473 M HN 0.286 nan 8.290 nan 0.000 0.410 474 Q N 0.304 120.144 119.800 0.066 0.000 2.030 474 Q HA -0.203 4.137 4.340 0.000 0.000 0.204 474 Q C 2.014 178.075 176.000 0.102 0.000 0.986 474 Q CA 1.789 57.665 55.803 0.122 0.000 0.843 474 Q CB -0.251 28.652 28.738 0.275 0.000 0.904 474 Q HN 0.552 nan 8.270 nan 0.000 0.420 475 K N 0.182 120.605 120.400 0.039 0.000 2.211 475 K HA -0.047 4.273 4.320 0.000 0.000 0.203 475 K C 2.249 178.864 176.600 0.024 0.000 1.050 475 K CA 0.941 57.197 56.287 -0.052 0.000 0.945 475 K CB 0.056 32.433 32.500 -0.205 0.000 0.732 475 K HN 0.045 nan 8.250 nan 0.000 0.451 476 S N 0.793 116.505 115.700 0.019 0.000 2.357 476 S HA -0.051 4.419 4.470 0.000 0.000 0.221 476 S C 1.879 176.521 174.600 0.070 0.000 1.031 476 S CA 0.946 59.170 58.200 0.041 0.000 0.982 476 S CB -0.008 63.148 63.200 -0.073 0.000 0.853 476 S HN 0.200 nan 8.310 nan 0.000 0.458 477 M N 1.116 120.669 119.600 -0.079 0.000 2.117 477 M HA -0.053 4.427 4.480 0.000 0.000 0.262 477 M C 2.279 178.501 176.300 -0.130 0.000 1.065 477 M CA 1.367 56.511 55.300 -0.258 0.000 1.114 477 M CB -1.371 30.796 32.600 -0.722 0.000 1.361 477 M HN 0.238 nan 8.290 nan 0.000 0.408 478 Q N 0.463 120.275 119.800 0.021 0.000 2.170 478 Q HA -0.110 4.230 4.340 0.000 0.000 0.203 478 Q C 2.032 178.166 176.000 0.225 0.000 0.976 478 Q CA 2.266 58.231 55.803 0.270 0.000 0.858 478 Q CB -0.083 28.840 28.738 0.309 0.000 0.907 478 Q HN 0.626 nan 8.270 nan 0.000 0.433 479 S N -2.188 113.611 115.700 0.164 0.000 2.456 479 S HA 0.003 4.473 4.470 0.000 0.000 0.224 479 S C 1.212 175.788 174.600 -0.041 0.000 1.035 479 S CA 0.539 58.776 58.200 0.061 0.000 0.940 479 S CB -0.253 62.949 63.200 0.003 0.000 0.799 479 S HN 0.481 nan 8.310 nan 0.000 0.508 480 H N 1.397 120.492 119.070 0.042 0.000 2.595 480 H HA 0.619 5.175 4.556 0.000 0.000 0.265 480 H C 0.951 176.316 175.328 0.062 0.000 0.953 480 H CA 0.484 56.553 56.048 0.035 0.000 1.197 480 H CB 0.352 30.120 29.762 0.009 0.000 1.438 480 H HN 0.547 nan 8.280 nan 0.000 0.531 481 A N 0.372 123.325 122.820 0.222 0.000 3.129 481 A HA 0.740 5.060 4.320 0.000 0.000 0.282 481 A C 0.589 178.421 177.584 0.412 0.000 0.948 481 A CA 0.072 52.262 52.037 0.256 0.000 1.027 481 A CB -0.482 18.669 19.000 0.252 0.000 1.123 481 A HN 0.336 nan 8.150 nan 0.000 0.485 482 A N -0.348 122.625 122.820 0.255 0.000 3.033 482 A HA 0.587 4.907 4.320 0.000 0.000 0.223 482 A C 1.429 178.763 177.584 -0.417 0.000 1.797 482 A CA 0.498 52.617 52.037 0.135 0.000 0.856 482 A CB -0.529 18.509 19.000 0.063 0.000 1.798 482 A HN 0.662 nan 8.150 nan 0.000 0.629 483 V N -1.316 118.025 119.914 -0.955 0.000 2.594 483 V HA -0.070 4.050 4.120 0.000 0.000 0.253 483 V C 0.092 175.687 176.094 -0.832 0.000 1.069 483 V CA 1.406 63.045 62.300 -1.102 0.000 1.082 483 V CB -1.169 30.053 31.823 -1.001 0.000 0.680 483 V HN 0.435 nan 8.190 nan 0.000 0.469 484 F N 0.092 119.896 119.950 -0.243 0.000 2.565 484 F HA 0.749 5.276 4.527 -0.000 0.000 0.313 484 F C 0.289 176.010 175.800 -0.131 0.000 1.091 484 F CA -1.321 56.579 58.000 -0.166 0.000 0.915 484 F CB 1.718 40.643 39.000 -0.125 0.000 1.208 484 F HN -0.029 nan 8.300 nan 0.000 0.453 485 R N 1.084 121.635 120.500 0.086 0.000 2.734 485 R HA 0.934 5.274 4.340 0.000 0.000 0.271 485 R C -1.983 174.315 176.300 -0.004 0.000 1.021 485 R CA -1.220 54.889 56.100 0.014 0.000 0.893 485 R CB 2.112 32.398 30.300 -0.024 0.000 1.244 485 R HN 0.486 nan 8.270 nan 0.000 0.464 486 V N -3.053 116.860 119.914 -0.001 0.000 3.120 486 V HA 0.572 4.692 4.120 0.000 0.000 0.303 486 V C 0.998 177.102 176.094 0.017 0.000 1.238 486 V CA -0.272 62.023 62.300 -0.008 0.000 1.008 486 V CB 1.594 33.391 31.823 -0.043 0.000 1.064 486 V HN 0.887 nan 8.190 nan 0.000 0.434 487 G N 1.399 110.221 108.800 0.036 0.000 2.556 487 G HA2 -0.264 3.696 3.960 0.000 0.000 0.220 487 G HA3 -0.264 3.696 3.960 0.000 0.000 0.220 487 G C 1.314 176.230 174.900 0.027 0.000 1.156 487 G CA 1.818 46.948 45.100 0.050 0.000 0.766 487 G HN 0.960 nan 8.290 nan 0.000 0.583 488 S N 0.012 115.720 115.700 0.013 0.000 2.354 488 S HA -0.143 4.327 4.470 0.000 0.000 0.219 488 S C 2.492 177.112 174.600 0.034 0.000 1.035 488 S CA 1.448 59.657 58.200 0.014 0.000 1.037 488 S CB -0.661 62.538 63.200 -0.003 0.000 0.956 488 S HN 0.197 nan 8.310 nan 0.000 0.428 489 V N 2.229 122.156 119.914 0.022 0.000 2.392 489 V HA -0.177 3.943 4.120 0.000 0.000 0.249 489 V C 2.186 178.365 176.094 0.142 0.000 1.059 489 V CA 1.536 63.857 62.300 0.036 0.000 1.051 489 V CB -0.865 30.937 31.823 -0.035 0.000 0.658 489 V HN 0.360 nan 8.190 nan 0.000 0.455 490 L N -0.855 120.417 121.223 0.080 0.000 2.044 490 L HA -0.168 4.172 4.340 0.000 0.000 0.205 490 L C 2.732 179.602 176.870 0.000 0.000 1.075 490 L CA 1.542 56.419 54.840 0.062 0.000 0.747 490 L CB -0.574 41.505 42.059 0.033 0.000 0.903 490 L HN 0.306 nan 8.230 nan 0.000 0.435 491 Q N -0.354 119.438 119.800 -0.014 0.000 2.124 491 Q HA -0.263 4.077 4.340 0.000 0.000 0.202 491 Q C 2.105 178.079 176.000 -0.042 0.000 0.977 491 Q CA 1.463 57.228 55.803 -0.064 0.000 0.850 491 Q CB -0.077 28.641 28.738 -0.033 0.000 0.901 491 Q HN 0.479 nan 8.270 nan 0.000 0.429 492 E N -0.137 120.085 120.200 0.036 0.000 2.153 492 E HA -0.158 4.192 4.350 0.000 0.000 0.194 492 E C 1.918 178.470 176.600 -0.081 0.000 0.988 492 E CA 1.002 57.430 56.400 0.047 0.000 0.811 492 E CB -0.067 29.733 29.700 0.167 0.000 0.746 492 E HN 0.406 nan 8.360 nan 0.000 0.466 493 G N 0.592 109.334 108.800 -0.095 0.000 2.404 493 G HA2 -0.269 3.691 3.960 0.000 0.000 0.215 493 G HA3 -0.269 3.691 3.960 0.000 0.000 0.215 493 G C 1.744 176.515 174.900 -0.215 0.000 1.174 493 G CA 0.886 45.745 45.100 -0.402 0.000 0.780 493 G HN 0.359 nan 8.290 nan 0.000 0.537 494 C N 1.554 120.747 119.300 -0.178 0.000 2.418 494 C HA -0.083 4.377 4.460 0.000 0.000 0.280 494 C C 2.950 177.930 174.990 -0.016 0.000 1.223 494 C CA 1.347 60.241 59.018 -0.207 0.000 1.736 494 C CB -1.063 26.250 27.740 -0.711 0.000 2.056 494 C HN 0.787 nan 8.230 nan 0.000 0.459 495 E N 1.405 121.580 120.200 -0.042 0.000 2.204 495 E HA -0.278 4.072 4.350 0.000 0.000 0.195 495 E C 1.933 178.537 176.600 0.006 0.000 0.990 495 E CA 1.313 57.726 56.400 0.023 0.000 0.821 495 E CB -0.378 29.328 29.700 0.009 0.000 0.750 495 E HN 0.643 nan 8.360 nan 0.000 0.477 496 K N 0.748 121.111 120.400 -0.061 0.000 2.097 496 K HA -0.029 4.291 4.320 0.000 0.000 0.205 496 K C 2.077 178.649 176.600 -0.047 0.000 1.050 496 K CA 0.947 57.181 56.287 -0.088 0.000 0.938 496 K CB 0.007 32.362 32.500 -0.242 0.000 0.718 496 K HN 0.170 nan 8.250 nan 0.000 0.442 497 I N 0.660 121.212 120.570 -0.030 0.000 2.406 497 I HA -0.185 3.985 4.170 0.000 0.000 0.249 497 I C 1.899 178.074 176.117 0.097 0.000 1.122 497 I CA 0.316 61.633 61.300 0.028 0.000 1.431 497 I CB 0.145 38.166 38.000 0.036 0.000 1.087 497 I HN 0.197 nan 8.210 nan 0.000 0.424 498 L N 0.855 122.149 121.223 0.118 0.000 2.201 498 L HA -0.160 4.180 4.340 0.000 0.000 0.212 498 L C 2.412 179.359 176.870 0.128 0.000 1.105 498 L CA 1.630 56.542 54.840 0.120 0.000 0.775 498 L CB -0.721 41.416 42.059 0.129 0.000 0.913 498 L HN 0.095 nan 8.230 nan 0.000 0.440 499 R N -0.800 119.755 120.500 0.092 0.000 2.062 499 R HA -0.077 4.263 4.340 0.000 0.000 0.229 499 R C 2.209 178.560 176.300 0.084 0.000 1.128 499 R CA 1.580 57.726 56.100 0.077 0.000 0.960 499 R CB -0.267 30.060 30.300 0.046 0.000 0.855 499 R HN 0.445 nan 8.270 nan 0.000 0.432 500 L N -0.506 120.764 121.223 0.078 0.000 2.093 500 L HA -0.181 4.159 4.340 0.000 0.000 0.208 500 L C 2.268 179.179 176.870 0.068 0.000 1.085 500 L CA 1.136 56.014 54.840 0.062 0.000 0.755 500 L CB -0.572 41.516 42.059 0.047 0.000 0.904 500 L HN 0.268 nan 8.230 nan 0.000 0.435 501 Y N 1.039 121.339 120.300 -0.001 0.000 2.256 501 Y HA -0.207 4.343 4.550 -0.000 0.000 0.288 501 Y C 2.313 178.202 175.900 -0.019 0.000 1.155 501 Y CA 1.498 59.590 58.100 -0.013 0.000 1.203 501 Y CB -0.350 38.097 38.460 -0.021 0.000 0.980 501 Y HN 0.091 nan 8.280 nan 0.000 0.530 502 G N -0.549 108.326 108.800 0.124 0.000 2.422 502 G HA2 -0.226 3.734 3.960 0.000 0.000 0.218 502 G HA3 -0.226 3.734 3.960 0.000 0.000 0.218 502 G C 1.279 176.151 174.900 -0.047 0.000 1.140 502 G CA 1.006 46.135 45.100 0.050 0.000 0.775 502 G HN 0.383 nan 8.290 nan 0.000 0.545 503 D N 0.590 120.984 120.400 -0.009 0.000 2.350 503 D HA -0.028 4.612 4.640 0.000 0.000 0.216 503 D C 2.412 178.667 176.300 -0.075 0.000 0.968 503 D CA 0.136 54.146 54.000 0.016 0.000 0.894 503 D CB -0.011 40.825 40.800 0.060 0.000 0.909 503 D HN 0.300 nan 8.370 nan 0.000 0.520 504 L N 0.897 122.016 121.223 -0.174 0.000 2.447 504 L HA -0.199 4.141 4.340 0.000 0.000 0.225 504 L C 2.319 179.074 176.870 -0.191 0.000 1.148 504 L CA 0.987 55.700 54.840 -0.212 0.000 0.808 504 L CB -0.373 41.460 42.059 -0.376 0.000 0.928 504 L HN 0.165 nan 8.230 nan 0.000 0.448 505 Q N -2.183 117.472 119.800 -0.241 0.000 2.356 505 Q HA -0.019 4.321 4.340 0.000 0.000 0.205 505 Q C 0.815 176.645 176.000 -0.284 0.000 0.901 505 Q CA 0.380 56.017 55.803 -0.277 0.000 0.938 505 Q CB 0.180 28.710 28.738 -0.347 0.000 1.081 505 Q HN 0.506 nan 8.270 nan 0.000 0.517 506 H N 1.119 120.160 119.070 -0.049 0.000 2.528 506 H HA 0.217 4.773 4.556 -0.000 0.000 0.282 506 H C -0.055 175.247 175.328 -0.043 0.000 1.097 506 H CA -0.481 55.544 56.048 -0.038 0.000 1.121 506 H CB 0.376 30.123 29.762 -0.026 0.000 1.590 506 H HN 0.220 nan 8.280 nan 0.000 0.553 507 L N -0.341 120.900 121.223 0.029 0.000 2.371 507 L HA 0.478 4.818 4.340 0.000 0.000 0.272 507 L C 0.219 177.067 176.870 -0.037 0.000 1.124 507 L CA -0.780 54.059 54.840 -0.002 0.000 0.816 507 L CB 0.626 42.668 42.059 -0.028 0.000 1.129 507 L HN -0.223 nan 8.230 nan 0.000 0.448 508 K N 1.076 121.439 120.400 -0.062 0.000 2.244 508 K HA 0.652 4.972 4.320 0.000 0.000 0.260 508 K C -0.638 175.823 176.600 -0.231 0.000 0.951 508 K CA -0.274 55.903 56.287 -0.183 0.000 0.826 508 K CB 1.653 34.010 32.500 -0.239 0.000 1.108 508 K HN 0.900 nan 8.250 nan 0.000 0.433 509 T N 3.323 117.690 114.554 -0.311 0.000 2.908 509 T HA 0.557 4.907 4.350 0.000 0.000 0.290 509 T C -0.118 174.336 174.700 -0.409 0.000 1.034 509 T CA -0.523 61.450 62.100 -0.212 0.000 1.010 509 T CB 0.396 69.195 68.868 -0.115 0.000 1.068 509 T HN 0.470 nan 8.240 nan 0.000 0.481 510 F N 0.344 120.274 119.950 -0.033 0.000 2.532 510 F HA 0.350 4.877 4.527 0.000 0.000 0.278 510 F C 1.362 177.132 175.800 -0.050 0.000 0.975 510 F CA -0.444 57.539 58.000 -0.029 0.000 1.292 510 F CB 0.112 39.102 39.000 -0.016 0.000 1.112 510 F HN 0.420 nan 8.300 nan 0.000 0.703 511 D N 1.301 121.786 120.400 0.141 0.000 2.455 511 D HA 0.085 4.725 4.640 0.000 0.000 0.241 511 D C 0.304 176.560 176.300 -0.073 0.000 1.138 511 D CA 0.552 54.574 54.000 0.036 0.000 0.877 511 D CB 0.773 41.592 40.800 0.031 0.000 1.187 511 D HN 0.213 nan 8.370 nan 0.000 0.451 512 R N 1.770 122.204 120.500 -0.110 0.000 2.563 512 R HA 0.260 4.600 4.340 0.000 0.000 0.443 512 R C 0.652 176.832 176.300 -0.200 0.000 0.956 512 R CA -0.532 55.409 56.100 -0.264 0.000 1.141 512 R CB 1.199 31.310 30.300 -0.315 0.000 1.553 512 R HN 0.349 nan 8.270 nan 0.000 0.577 513 G N -0.018 108.725 108.800 -0.095 0.000 2.557 513 G HA2 0.170 4.130 3.960 0.000 0.000 0.292 513 G HA3 0.170 4.130 3.960 0.000 0.000 0.292 513 G C 0.710 175.586 174.900 -0.039 0.000 1.237 513 G CA -0.452 44.620 45.100 -0.045 0.000 0.978 513 G HN -0.030 nan 8.290 nan 0.000 0.498 514 M N -0.585 119.013 119.600 -0.004 0.000 2.516 514 M HA 0.144 4.624 4.480 0.000 0.000 0.259 514 M C 0.398 176.722 176.300 0.041 0.000 1.146 514 M CA 0.528 55.837 55.300 0.015 0.000 1.122 514 M CB 0.535 33.144 32.600 0.014 0.000 1.341 514 M HN 0.078 nan 8.290 nan 0.000 0.478 515 V N 0.232 120.187 119.914 0.069 0.000 2.439 515 V HA 0.114 4.234 4.120 0.000 0.000 0.282 515 V C -0.560 175.665 176.094 0.217 0.000 1.039 515 V CA -0.746 61.637 62.300 0.139 0.000 0.913 515 V CB 0.563 32.475 31.823 0.148 0.000 0.983 515 V HN 0.631 nan 8.190 nan 0.000 0.460 516 W N 3.968 125.264 121.300 -0.007 0.000 7.006 516 W HA -0.232 4.428 4.660 0.000 0.000 0.427 516 W C 0.978 177.484 176.519 -0.022 0.000 1.736 516 W CA 0.499 57.839 57.345 -0.009 0.000 1.135 516 W CB -0.741 28.720 29.460 0.001 0.000 2.954 516 W HN 0.724 nan 8.180 nan 0.000 1.512 517 N N 1.074 119.786 118.700 0.021 0.000 3.298 517 N HA 0.020 4.760 4.740 0.000 0.000 0.292 517 N C 1.466 176.945 175.510 -0.052 0.000 1.271 517 N CA 0.917 53.963 53.050 -0.006 0.000 1.184 517 N CB 0.305 38.757 38.487 -0.058 0.000 1.452 517 N HN 0.336 nan 8.380 nan 0.000 0.534 518 T N -1.925 112.643 114.554 0.024 0.000 2.897 518 T HA -0.189 4.161 4.350 0.000 0.000 0.271 518 T C 1.354 176.036 174.700 -0.030 0.000 1.084 518 T CA 1.060 63.157 62.100 -0.004 0.000 1.123 518 T CB 0.060 68.999 68.868 0.117 0.000 0.865 518 T HN 0.205 nan 8.240 nan 0.000 0.496 519 D N 0.964 121.358 120.400 -0.010 0.000 2.097 519 D HA -0.050 4.590 4.640 0.000 0.000 0.197 519 D C 1.890 178.156 176.300 -0.056 0.000 0.984 519 D CA 0.653 54.649 54.000 -0.006 0.000 0.826 519 D CB -0.430 40.387 40.800 0.029 0.000 0.973 519 D HN 0.348 nan 8.370 nan 0.000 0.460 520 L N 0.402 121.567 121.223 -0.096 0.000 2.027 520 L HA -0.046 4.294 4.340 0.000 0.000 0.206 520 L C 2.470 179.208 176.870 -0.221 0.000 1.074 520 L CA 1.887 56.642 54.840 -0.142 0.000 0.745 520 L CB -0.873 41.098 42.059 -0.147 0.000 0.898 520 L HN 0.156 nan 8.230 nan 0.000 0.433 521 V N -2.438 117.300 119.914 -0.294 0.000 2.307 521 V HA -0.193 3.927 4.120 0.000 0.000 0.245 521 V C 2.190 178.080 176.094 -0.341 0.000 1.045 521 V CA 1.835 63.831 62.300 -0.507 0.000 1.024 521 V CB -1.053 30.418 31.823 -0.587 0.000 0.651 521 V HN 0.561 nan 8.190 nan 0.000 0.449 522 E N 0.335 120.433 120.200 -0.170 0.000 2.209 522 E HA -0.152 4.198 4.350 0.000 0.000 0.196 522 E C 2.238 178.803 176.600 -0.059 0.000 0.993 522 E CA 1.822 58.179 56.400 -0.071 0.000 0.819 522 E CB -0.257 29.428 29.700 -0.025 0.000 0.745 522 E HN 0.750 nan 8.360 nan 0.000 0.477 523 T N 1.053 115.553 114.554 -0.090 0.000 2.732 523 T HA -0.062 4.288 4.350 0.000 0.000 0.261 523 T C 1.934 176.585 174.700 -0.081 0.000 1.040 523 T CA 0.510 62.568 62.100 -0.070 0.000 1.145 523 T CB -0.176 68.647 68.868 -0.075 0.000 0.866 523 T HN 0.089 nan 8.240 nan 0.000 0.427 524 L N 0.971 122.107 121.223 -0.146 0.000 2.081 524 L HA -0.188 4.152 4.340 0.000 0.000 0.212 524 L C 2.691 179.557 176.870 -0.007 0.000 1.080 524 L CA 1.539 56.304 54.840 -0.125 0.000 0.754 524 L CB -0.555 41.319 42.059 -0.308 0.000 0.893 524 L HN 0.401 nan 8.230 nan 0.000 0.433 525 E N -0.445 119.755 120.200 -0.000 0.000 2.150 525 E HA -0.250 4.100 4.350 0.000 0.000 0.193 525 E C 2.079 178.723 176.600 0.073 0.000 0.985 525 E CA 0.919 57.392 56.400 0.122 0.000 0.814 525 E CB -0.153 29.624 29.700 0.128 0.000 0.752 525 E HN 0.296 nan 8.360 nan 0.000 0.466 526 L N 1.545 122.785 121.223 0.029 0.000 2.017 526 L HA -0.240 4.100 4.340 0.000 0.000 0.208 526 L C 2.182 179.058 176.870 0.010 0.000 1.073 526 L CA 1.845 56.698 54.840 0.021 0.000 0.745 526 L CB -0.382 41.676 42.059 -0.001 0.000 0.894 526 L HN 0.050 nan 8.230 nan 0.000 0.432 527 Q N -0.609 119.185 119.800 -0.009 0.000 2.152 527 Q HA -0.229 4.111 4.340 0.000 0.000 0.206 527 Q C 1.936 177.954 176.000 0.030 0.000 0.985 527 Q CA 1.831 57.623 55.803 -0.019 0.000 0.863 527 Q CB -0.230 28.492 28.738 -0.026 0.000 0.904 527 Q HN 0.625 nan 8.270 nan 0.000 0.422 528 N N 0.438 119.167 118.700 0.049 0.000 2.135 528 N HA -0.094 4.646 4.740 0.000 0.000 0.186 528 N C 1.899 177.421 175.510 0.020 0.000 1.027 528 N CA 0.885 53.961 53.050 0.044 0.000 0.849 528 N CB -0.365 38.165 38.487 0.072 0.000 1.002 528 N HN 0.197 nan 8.380 nan 0.000 0.425 529 L N 0.566 121.814 121.223 0.041 0.000 2.043 529 L HA -0.179 4.161 4.340 0.000 0.000 0.212 529 L C 2.356 179.235 176.870 0.014 0.000 1.075 529 L CA 0.983 55.845 54.840 0.037 0.000 0.752 529 L CB -0.347 41.757 42.059 0.075 0.000 0.891 529 L HN 0.160 nan 8.230 nan 0.000 0.432 530 M N -0.534 119.094 119.600 0.046 0.000 2.067 530 M HA -0.208 4.272 4.480 0.000 0.000 0.260 530 M C 2.390 178.740 176.300 0.082 0.000 1.069 530 M CA 1.816 57.174 55.300 0.097 0.000 1.117 530 M CB -1.047 31.650 32.600 0.162 0.000 1.334 530 M HN 0.248 nan 8.290 nan 0.000 0.407 531 L N -0.924 120.342 121.223 0.072 0.000 2.187 531 L HA -0.275 4.065 4.340 0.000 0.000 0.213 531 L C 2.510 179.305 176.870 -0.125 0.000 1.100 531 L CA 0.857 55.690 54.840 -0.011 0.000 0.765 531 L CB -0.675 41.382 42.059 -0.003 0.000 0.904 531 L HN 0.372 nan 8.230 nan 0.000 0.437 532 C N -0.859 118.325 119.300 -0.193 0.000 2.505 532 C HA 0.060 4.520 4.460 0.000 0.000 0.279 532 C C 3.101 177.916 174.990 -0.291 0.000 1.316 532 C CA 0.403 59.168 59.018 -0.421 0.000 1.720 532 C CB -0.741 26.514 27.740 -0.810 0.000 2.050 532 C HN 0.598 nan 8.230 nan 0.000 0.493 533 A N 0.682 123.423 122.820 -0.132 0.000 1.877 533 A HA -0.104 4.216 4.320 0.000 0.000 0.216 533 A C 1.929 179.521 177.584 0.014 0.000 1.186 533 A CA 1.531 53.552 52.037 -0.026 0.000 0.620 533 A CB -0.622 18.378 19.000 0.000 0.000 0.822 533 A HN 0.431 nan 8.150 nan 0.000 0.443 534 L N -0.010 121.207 121.223 -0.010 0.000 2.043 534 L HA -0.253 4.087 4.340 0.000 0.000 0.212 534 L C 2.731 179.615 176.870 0.022 0.000 1.075 534 L CA 2.196 57.032 54.840 -0.008 0.000 0.752 534 L CB -0.799 41.148 42.059 -0.186 0.000 0.891 534 L HN 0.499 nan 8.230 nan 0.000 0.432 535 Q N -1.922 117.848 119.800 -0.049 0.000 2.245 535 Q HA -0.102 4.238 4.340 0.000 0.000 0.201 535 Q C 2.010 178.047 176.000 0.062 0.000 0.955 535 Q CA 1.545 57.336 55.803 -0.021 0.000 0.870 535 Q CB -0.189 28.494 28.738 -0.092 0.000 0.945 535 Q HN 0.506 nan 8.270 nan 0.000 0.461 536 T N 1.357 115.952 114.554 0.067 0.000 2.732 536 T HA -0.105 4.245 4.350 0.000 0.000 0.261 536 T C 1.829 176.626 174.700 0.161 0.000 1.040 536 T CA 0.828 63.015 62.100 0.145 0.000 1.145 536 T CB -0.172 68.826 68.868 0.217 0.000 0.866 536 T HN 0.122 nan 8.240 nan 0.000 0.427 537 I N 0.206 120.871 120.570 0.158 0.000 2.226 537 I HA -0.117 4.053 4.170 0.000 0.000 0.245 537 I C 1.917 178.094 176.117 0.100 0.000 1.100 537 I CA 1.371 62.747 61.300 0.127 0.000 1.374 537 I CB -0.353 37.700 38.000 0.089 0.000 1.057 537 I HN 0.205 nan 8.210 nan 0.000 0.413 538 Y N 0.590 120.906 120.300 0.025 0.000 2.133 538 Y HA -0.049 4.501 4.550 -0.000 0.000 0.287 538 Y C 2.615 178.538 175.900 0.037 0.000 1.134 538 Y CA 1.767 59.883 58.100 0.027 0.000 1.133 538 Y CB -1.285 37.180 38.460 0.008 0.000 0.987 538 Y HN 0.199 nan 8.280 nan 0.000 0.502 539 G N -0.752 108.164 108.800 0.193 0.000 2.462 539 G HA2 -0.215 3.745 3.960 0.000 0.000 0.220 539 G HA3 -0.215 3.745 3.960 0.000 0.000 0.220 539 G C 1.818 176.724 174.900 0.010 0.000 1.121 539 G CA 0.949 46.119 45.100 0.117 0.000 0.758 539 G HN 0.482 nan 8.290 nan 0.000 0.559 540 A N 1.404 124.241 122.820 0.029 0.000 1.897 540 A HA 0.063 4.383 4.320 0.000 0.000 0.215 540 A C 2.179 179.818 177.584 0.091 0.000 1.181 540 A CA 1.983 54.050 52.037 0.052 0.000 0.620 540 A CB -0.368 18.738 19.000 0.177 0.000 0.821 540 A HN 0.501 nan 8.150 nan 0.000 0.443 541 E N 0.589 120.811 120.200 0.037 0.000 2.106 541 E HA 0.001 4.351 4.350 0.000 0.000 0.192 541 E C 1.773 178.367 176.600 -0.012 0.000 0.984 541 E CA 1.686 58.093 56.400 0.011 0.000 0.806 541 E CB -0.542 29.119 29.700 -0.064 0.000 0.750 541 E HN 0.390 nan 8.360 nan 0.000 0.458 542 A N 1.048 123.862 122.820 -0.010 0.000 1.930 542 A HA -0.078 4.242 4.320 0.000 0.000 0.217 542 A C 1.769 179.132 177.584 -0.369 0.000 1.175 542 A CA 0.885 52.926 52.037 0.007 0.000 0.627 542 A CB -0.552 18.577 19.000 0.214 0.000 0.815 542 A HN 0.221 nan 8.150 nan 0.000 0.443 543 R N 1.089 121.248 120.500 -0.569 0.000 2.387 543 R HA 0.125 4.465 4.340 0.000 0.000 0.321 543 R C -0.928 174.785 176.300 -0.980 0.000 1.174 543 R CA 0.087 55.451 56.100 -1.227 0.000 1.002 543 R CB -0.211 29.550 30.300 -0.899 0.000 1.028 543 R HN 0.212 nan 8.270 nan 0.000 0.482 544 K N 4.926 124.438 120.400 -1.481 0.000 2.363 544 K HA 0.072 4.392 4.320 0.000 0.000 0.240 544 K C -0.889 175.171 176.600 -0.901 0.000 1.169 544 K CA -0.175 55.444 56.287 -1.115 0.000 1.131 544 K CB 0.368 32.009 32.500 -1.431 0.000 1.771 544 K HN 0.700 nan 8.250 nan 0.000 0.380 545 E N -1.561 118.427 120.200 -0.355 0.000 2.427 545 E HA 0.280 4.630 4.350 0.000 0.000 0.279 545 E C -1.333 175.341 176.600 0.124 0.000 1.120 545 E CA -1.079 55.304 56.400 -0.029 0.000 0.869 545 E CB 0.796 30.478 29.700 -0.030 0.000 1.393 545 E HN -0.064 nan 8.360 nan 0.000 0.443 546 S N 0.247 116.049 115.700 0.170 0.000 2.669 546 S HA 0.546 5.016 4.470 0.000 0.000 0.315 546 S C -0.995 173.731 174.600 0.209 0.000 1.106 546 S CA -0.688 57.618 58.200 0.177 0.000 1.107 546 S CB 0.667 63.957 63.200 0.150 0.000 0.990 546 S HN 0.436 nan 8.310 nan 0.000 0.471 547 R N 2.105 122.762 120.500 0.262 0.000 2.574 547 R HA 0.579 4.919 4.340 0.000 0.000 0.288 547 R C 0.749 177.270 176.300 0.368 0.000 1.004 547 R CA 0.278 56.568 56.100 0.317 0.000 0.895 547 R CB 1.113 31.640 30.300 0.379 0.000 1.191 547 R HN 0.839 nan 8.270 nan 0.000 0.444 548 G N 2.375 111.346 108.800 0.285 0.000 2.611 548 G HA2 -0.461 3.499 3.960 0.000 0.000 0.301 548 G HA3 -0.461 3.499 3.960 0.000 0.000 0.301 548 G C 0.787 175.817 174.900 0.216 0.000 1.233 548 G CA 0.639 45.894 45.100 0.258 0.000 0.993 548 G HN 0.836 nan 8.290 nan 0.000 0.553 549 A N -1.048 121.930 122.820 0.263 0.000 2.015 549 A HA 0.067 4.387 4.320 0.000 0.000 0.219 549 A C 1.386 179.030 177.584 0.100 0.000 1.163 549 A CA 1.831 53.973 52.037 0.176 0.000 0.646 549 A CB -0.441 18.708 19.000 0.248 0.000 0.806 549 A HN 0.992 nan 8.150 nan 0.000 0.448 550 H N 0.539 119.603 119.070 -0.010 0.000 3.089 550 H HA 0.464 5.020 4.556 0.000 0.000 0.262 550 H C -0.664 174.627 175.328 -0.062 0.000 1.160 550 H CA 0.363 56.317 56.048 -0.157 0.000 1.482 550 H CB 0.099 29.565 29.762 -0.493 0.000 1.511 550 H HN 0.248 nan 8.280 nan 0.000 0.483 551 A N 7.594 130.233 122.820 -0.301 0.000 2.285 551 A HA 0.419 4.739 4.320 0.000 0.000 0.310 551 A C -0.175 177.328 177.584 -0.136 0.000 1.266 551 A CA -0.892 51.064 52.037 -0.135 0.000 0.832 551 A CB 0.597 19.551 19.000 -0.076 0.000 1.163 551 A HN 0.629 nan 8.150 nan 0.000 0.499 552 R N 1.876 122.333 120.500 -0.071 0.000 2.368 552 R HA 0.301 4.641 4.340 0.000 0.000 0.302 552 R C 0.144 176.462 176.300 0.031 0.000 1.002 552 R CA -0.522 55.570 56.100 -0.013 0.000 0.929 552 R CB 1.358 31.725 30.300 0.112 0.000 1.073 552 R HN 0.778 nan 8.270 nan 0.000 0.464 553 E N 1.510 121.699 120.200 -0.019 0.000 2.158 553 E HA -0.109 4.241 4.350 0.000 0.000 0.191 553 E C 0.588 177.085 176.600 -0.171 0.000 0.982 553 E CA 1.188 57.539 56.400 -0.081 0.000 0.823 553 E CB 0.298 29.929 29.700 -0.115 0.000 0.766 553 E HN 0.522 nan 8.360 nan 0.000 0.468 554 D N 0.228 120.460 120.400 -0.281 0.000 2.097 554 D HA -0.134 4.506 4.640 0.000 0.000 0.195 554 D C 0.221 175.999 176.300 -0.870 0.000 0.989 554 D CA 1.010 54.601 54.000 -0.682 0.000 0.827 554 D CB -0.194 39.988 40.800 -1.031 0.000 0.966 554 D HN 0.134 nan 8.370 nan 0.000 0.456 555 F N 0.890 120.840 119.950 -0.001 0.000 2.453 555 F HA 0.311 4.838 4.527 -0.000 0.000 0.358 555 F C 0.582 176.398 175.800 0.027 0.000 1.129 555 F CA -0.985 57.025 58.000 0.016 0.000 1.200 555 F CB 0.821 39.825 39.000 0.008 0.000 1.431 555 F HN -0.254 nan 8.300 nan 0.000 0.503 556 K N 0.359 120.833 120.400 0.123 0.000 2.790 556 K HA 0.167 4.487 4.320 0.000 0.000 0.229 556 K C -0.317 176.367 176.600 0.140 0.000 1.040 556 K CA 0.229 56.586 56.287 0.118 0.000 1.211 556 K CB 0.038 32.582 32.500 0.074 0.000 1.002 556 K HN 0.360 nan 8.250 nan 0.000 0.479 557 E N 1.337 121.645 120.200 0.180 0.000 2.235 557 E HA 0.283 4.633 4.350 0.000 0.000 0.265 557 E C -0.562 176.143 176.600 0.176 0.000 0.940 557 E CA -0.793 55.708 56.400 0.169 0.000 0.819 557 E CB 1.740 31.546 29.700 0.177 0.000 1.206 557 E HN -0.020 nan 8.360 nan 0.000 0.409 558 R N 1.955 122.555 120.500 0.166 0.000 2.755 558 R HA 0.240 4.580 4.340 0.000 0.000 0.268 558 R C -0.930 175.480 176.300 0.182 0.000 1.295 558 R CA -0.462 55.746 56.100 0.181 0.000 1.379 558 R CB -0.249 30.154 30.300 0.172 0.000 1.170 558 R HN 0.184 nan 8.270 nan 0.000 0.584 559 V N 5.213 125.252 119.914 0.208 0.000 2.377 559 V HA 0.018 4.138 4.120 0.000 0.000 0.254 559 V C 0.635 176.854 176.094 0.209 0.000 1.060 559 V CA 0.307 62.733 62.300 0.211 0.000 1.068 559 V CB 0.235 32.227 31.823 0.281 0.000 1.113 559 V HN 0.462 nan 8.190 nan 0.000 0.484 560 D N 3.318 123.804 120.400 0.143 0.000 2.588 560 D HA 0.281 4.921 4.640 0.000 0.000 0.268 560 D C 1.014 177.212 176.300 -0.170 0.000 1.176 560 D CA -0.589 53.458 54.000 0.078 0.000 1.080 560 D CB 1.155 42.094 40.800 0.233 0.000 1.186 560 D HN 0.459 nan 8.370 nan 0.000 0.619 561 E N -0.581 119.355 120.200 -0.439 0.000 2.106 561 E HA -0.078 4.272 4.350 0.000 0.000 0.192 561 E C 0.070 176.331 176.600 -0.566 0.000 0.984 561 E CA 1.362 57.316 56.400 -0.743 0.000 0.806 561 E CB -0.137 29.143 29.700 -0.700 0.000 0.750 561 E HN 0.393 nan 8.360 nan 0.000 0.458 562 Y N -0.803 119.340 120.300 -0.261 0.000 2.753 562 Y HA 0.364 4.914 4.550 -0.000 0.000 0.324 562 Y C -0.536 175.171 175.900 -0.322 0.000 1.147 562 Y CA -1.431 56.435 58.100 -0.389 0.000 1.173 562 Y CB 1.150 39.173 38.460 -0.728 0.000 1.361 562 Y HN -0.278 nan 8.280 nan 0.000 0.545 563 D N -0.469 119.867 120.400 -0.108 0.000 2.493 563 D HA 0.190 4.830 4.640 0.000 0.000 0.235 563 D C -0.524 175.702 176.300 -0.124 0.000 1.117 563 D CA -0.113 53.854 54.000 -0.055 0.000 0.930 563 D CB -0.225 40.563 40.800 -0.021 0.000 1.010 563 D HN 0.396 nan 8.370 nan 0.000 0.514 564 Y N 1.124 121.408 120.300 -0.027 0.000 2.716 564 Y HA -0.138 4.412 4.550 0.000 0.000 0.302 564 Y C 2.454 178.303 175.900 -0.086 0.000 1.160 564 Y CA 0.677 58.722 58.100 -0.092 0.000 1.362 564 Y CB -0.204 38.149 38.460 -0.178 0.000 0.988 564 Y HN 0.390 nan 8.280 nan 0.000 0.546 565 S N 0.120 115.851 115.700 0.052 0.000 2.335 565 S HA -0.097 4.373 4.470 0.000 0.000 0.217 565 S C 1.058 175.658 174.600 0.001 0.000 1.032 565 S CA 0.224 58.441 58.200 0.028 0.000 0.985 565 S CB -0.402 62.816 63.200 0.030 0.000 0.896 565 S HN 0.424 nan 8.310 nan 0.000 0.445 566 K N 1.904 122.293 120.400 -0.019 0.000 2.318 566 K HA 0.533 4.853 4.320 0.000 0.000 0.243 566 K C -2.858 173.703 176.600 -0.065 0.000 1.047 566 K CA -1.993 54.273 56.287 -0.034 0.000 0.937 566 K CB -0.898 31.582 32.500 -0.032 0.000 1.225 566 K HN 0.027 nan 8.250 nan 0.000 0.506 567 P HA 0.008 nan 4.420 nan 0.000 0.272 567 P C -0.781 176.422 177.300 -0.162 0.000 1.254 567 P CA -0.343 62.699 63.100 -0.097 0.000 0.795 567 P CB 0.348 32.003 31.700 -0.075 0.000 1.022 568 I N 1.161 121.607 120.570 -0.206 0.000 2.512 568 I HA 0.326 4.496 4.170 0.000 0.000 0.287 568 I C -0.304 175.654 176.117 -0.264 0.000 1.069 568 I CA -0.210 60.887 61.300 -0.338 0.000 1.056 568 I CB 1.266 38.937 38.000 -0.549 0.000 1.229 568 I HN 0.635 nan 8.210 nan 0.000 0.429 569 Q N 4.720 124.388 119.800 -0.220 0.000 7.794 569 Q HA 0.007 4.347 4.340 0.000 0.000 0.364 569 Q C 0.980 176.937 176.000 -0.071 0.000 0.933 569 Q CA 0.692 56.415 55.803 -0.134 0.000 0.560 569 Q CB -0.761 27.918 28.738 -0.098 0.000 0.260 569 Q HN 0.754 nan 8.270 nan 0.000 0.882 570 G N 1.403 110.168 108.800 -0.058 0.000 2.650 570 G HA2 -0.046 3.914 3.960 0.000 0.000 0.214 570 G HA3 -0.046 3.914 3.960 0.000 0.000 0.214 570 G C 0.412 175.305 174.900 -0.013 0.000 1.136 570 G CA 0.562 45.645 45.100 -0.029 0.000 0.789 570 G HN 0.361 nan 8.290 nan 0.000 0.536 571 Q N 0.094 119.882 119.800 -0.020 0.000 2.306 571 Q HA 0.357 4.697 4.340 0.000 0.000 0.241 571 Q C -0.167 175.902 176.000 0.114 0.000 0.948 571 Q CA -0.505 55.315 55.803 0.027 0.000 0.886 571 Q CB 0.623 29.364 28.738 0.006 0.000 1.227 571 Q HN 0.308 nan 8.270 nan 0.000 0.457 572 Q N 2.278 122.140 119.800 0.104 0.000 2.245 572 Q HA 0.232 4.572 4.340 0.000 0.000 0.256 572 Q C -1.253 174.745 176.000 -0.003 0.000 0.942 572 Q CA -0.594 55.261 55.803 0.085 0.000 0.896 572 Q CB 1.362 30.111 28.738 0.019 0.000 1.272 572 Q HN 0.530 nan 8.270 nan 0.000 0.442 573 K N 3.278 123.597 120.400 -0.134 0.000 2.297 573 K HA 0.165 4.485 4.320 0.000 0.000 0.286 573 K C -0.793 175.619 176.600 -0.315 0.000 1.053 573 K CA -0.222 55.702 56.287 -0.605 0.000 0.940 573 K CB 0.612 32.787 32.500 -0.542 0.000 1.019 573 K HN 0.436 nan 8.250 nan 0.000 0.475 574 K N 4.679 124.886 120.400 -0.322 0.000 2.295 574 K HA 0.156 4.476 4.320 0.000 0.000 0.270 574 K C -2.331 174.245 176.600 -0.040 0.000 1.011 574 K CA -1.631 54.575 56.287 -0.135 0.000 0.953 574 K CB 0.285 32.727 32.500 -0.096 0.000 0.956 574 K HN 0.430 nan 8.250 nan 0.000 0.477 575 P HA -0.077 nan 4.420 nan 0.000 0.269 575 P C 0.066 177.403 177.300 0.061 0.000 1.215 575 P CA -0.124 62.994 63.100 0.030 0.000 0.780 575 P CB 0.331 32.026 31.700 -0.010 0.000 0.898 576 F N 2.481 122.408 119.950 -0.039 0.000 2.087 576 F HA -0.271 4.256 4.527 -0.000 0.000 0.299 576 F C 1.756 177.258 175.800 -0.496 0.000 1.100 576 F CA 1.684 59.577 58.000 -0.179 0.000 1.226 576 F CB -0.316 38.632 39.000 -0.086 0.000 0.983 576 F HN 0.370 nan 8.300 nan 0.000 0.479 577 Q N -0.223 119.401 119.800 -0.294 0.000 2.373 577 Q HA -0.072 4.268 4.340 0.000 0.000 0.206 577 Q C 1.159 176.836 176.000 -0.538 0.000 0.942 577 Q CA 0.877 56.401 55.803 -0.465 0.000 0.953 577 Q CB -0.189 28.463 28.738 -0.142 0.000 1.022 577 Q HN 0.633 nan 8.270 nan 0.000 0.502 578 E N 0.942 120.842 120.200 -0.501 0.000 2.490 578 E HA 0.002 4.352 4.350 0.000 0.000 0.209 578 E C 0.217 176.572 176.600 -0.408 0.000 0.971 578 E CA -0.138 56.042 56.400 -0.366 0.000 0.988 578 E CB 0.516 30.116 29.700 -0.166 0.000 1.029 578 E HN 0.554 nan 8.360 nan 0.000 0.496 579 H N -3.308 115.429 119.070 -0.554 0.000 2.754 579 H HA 0.186 4.742 4.556 -0.000 0.000 0.352 579 H C -0.642 174.254 175.328 -0.721 0.000 1.213 579 H CA -1.026 54.742 56.048 -0.467 0.000 1.244 579 H CB 0.244 29.850 29.762 -0.260 0.000 1.843 579 H HN 0.054 nan 8.280 nan 0.000 0.587 580 W N 0.046 121.284 121.300 -0.103 0.000 2.991 580 W HA 0.315 4.975 4.660 0.000 0.000 0.391 580 W C 1.019 177.522 176.519 -0.026 0.000 1.054 580 W CA -0.569 56.665 57.345 -0.185 0.000 1.856 580 W CB 0.690 30.078 29.460 -0.121 0.000 1.132 580 W HN 0.390 nan 8.180 nan 0.000 0.601 581 R N 3.330 124.038 120.500 0.345 0.000 3.710 581 R HA 0.106 4.446 4.340 0.000 0.000 0.201 581 R C -0.112 176.276 176.300 0.145 0.000 1.641 581 R CA 0.353 56.608 56.100 0.259 0.000 1.390 581 R CB -0.859 29.578 30.300 0.229 0.000 1.341 581 R HN 0.039 nan 8.270 nan 0.000 0.728 582 K N 0.285 120.715 120.400 0.050 0.000 2.575 582 K HA 0.267 4.587 4.320 0.000 0.000 0.279 582 K C -1.234 175.428 176.600 0.102 0.000 0.969 582 K CA -1.072 55.233 56.287 0.031 0.000 0.868 582 K CB 0.965 33.427 32.500 -0.062 0.000 1.457 582 K HN 0.103 nan 8.250 nan 0.000 0.426 583 H N 0.814 120.044 119.070 0.266 0.000 2.629 583 H HA 0.164 4.720 4.556 -0.000 0.000 0.357 583 H C -0.297 175.223 175.328 0.320 0.000 1.121 583 H CA 0.042 56.219 56.048 0.215 0.000 1.406 583 H CB 1.356 31.175 29.762 0.095 0.000 1.456 583 H HN 0.491 nan 8.280 nan 0.000 0.579 584 T N 4.452 119.250 114.554 0.407 0.000 2.743 584 T HA 0.316 4.666 4.350 0.000 0.000 0.293 584 T C 0.680 175.369 174.700 -0.019 0.000 0.945 584 T CA -0.580 61.641 62.100 0.203 0.000 1.030 584 T CB 0.162 69.202 68.868 0.286 0.000 0.912 584 T HN 0.210 nan 8.240 nan 0.000 0.483 585 L N 4.046 125.139 121.223 -0.218 0.000 2.287 585 L HA 0.515 4.855 4.340 0.000 0.000 0.287 585 L C 0.405 177.158 176.870 -0.196 0.000 1.022 585 L CA -0.638 54.077 54.840 -0.208 0.000 0.814 585 L CB 1.277 43.229 42.059 -0.178 0.000 1.217 585 L HN 0.678 nan 8.230 nan 0.000 0.420 586 S N 1.751 117.297 115.700 -0.257 0.000 2.536 586 S HA 0.807 5.277 4.470 0.000 0.000 0.298 586 S C -1.021 173.381 174.600 -0.330 0.000 1.083 586 S CA -0.708 57.397 58.200 -0.157 0.000 0.995 586 S CB 1.787 64.931 63.200 -0.093 0.000 1.058 586 S HN 0.342 nan 8.310 nan 0.000 0.488 587 Y N -0.122 120.113 120.300 -0.108 0.000 2.698 587 Y HA 0.849 5.399 4.550 0.000 0.000 0.332 587 Y C -0.175 175.640 175.900 -0.141 0.000 1.119 587 Y CA -1.164 56.872 58.100 -0.106 0.000 1.109 587 Y CB 1.685 40.094 38.460 -0.086 0.000 1.308 587 Y HN 0.856 nan 8.280 nan 0.000 0.499 588 V N 0.508 120.449 119.914 0.044 0.000 2.915 588 V HA 0.255 4.375 4.120 0.000 0.000 0.282 588 V C -1.805 174.243 176.094 -0.077 0.000 1.445 588 V CA -0.814 61.432 62.300 -0.090 0.000 0.953 588 V CB 1.805 33.516 31.823 -0.186 0.000 1.140 588 V HN 0.873 nan 8.190 nan 0.000 0.440 589 D N 5.103 125.441 120.400 -0.104 0.000 2.348 589 D HA 0.142 4.782 4.640 0.000 0.000 0.259 589 D C 1.360 177.622 176.300 -0.063 0.000 1.296 589 D CA 0.430 54.388 54.000 -0.069 0.000 0.931 589 D CB 1.732 42.491 40.800 -0.069 0.000 1.067 589 D HN 0.542 nan 8.370 nan 0.000 0.503 590 V N 4.908 124.814 119.914 -0.013 0.000 2.363 590 V HA -0.284 3.836 4.120 0.000 0.000 0.254 590 V C 2.511 178.678 176.094 0.121 0.000 1.074 590 V CA 1.898 64.232 62.300 0.056 0.000 1.069 590 V CB -0.534 31.319 31.823 0.049 0.000 0.659 590 V HN 0.560 nan 8.190 nan 0.000 0.455 591 K N -0.123 120.314 120.400 0.062 0.000 2.167 591 K HA -0.110 4.210 4.320 0.000 0.000 0.203 591 K C 2.113 178.770 176.600 0.096 0.000 1.052 591 K CA 1.590 57.921 56.287 0.073 0.000 0.956 591 K CB 0.017 32.534 32.500 0.028 0.000 0.735 591 K HN 0.710 nan 8.250 nan 0.000 0.451 592 T N -4.763 109.812 114.554 0.035 0.000 2.971 592 T HA 0.205 4.555 4.350 0.000 0.000 0.252 592 T C 1.130 175.768 174.700 -0.102 0.000 1.022 592 T CA 0.489 62.596 62.100 0.011 0.000 0.980 592 T CB 0.765 69.618 68.868 -0.026 0.000 1.044 592 T HN 0.243 nan 8.240 nan 0.000 0.501 593 G N 1.924 110.539 108.800 -0.307 0.000 2.147 593 G HA2 -0.267 3.693 3.960 0.000 0.000 0.244 593 G HA3 -0.267 3.693 3.960 0.000 0.000 0.244 593 G C -0.126 174.491 174.900 -0.472 0.000 1.005 593 G CA 0.279 44.925 45.100 -0.758 0.000 0.713 593 G HN 0.859 nan 8.290 nan 0.000 0.515 594 K N 0.701 120.926 120.400 -0.291 0.000 2.316 594 K HA 0.485 4.805 4.320 0.000 0.000 0.289 594 K C 0.382 176.818 176.600 -0.274 0.000 1.070 594 K CA -0.552 55.589 56.287 -0.243 0.000 0.928 594 K CB 0.649 33.069 32.500 -0.135 0.000 1.039 594 K HN 0.023 nan 8.250 nan 0.000 0.480 595 V N 4.613 124.286 119.914 -0.402 0.000 2.406 595 V HA 0.152 4.272 4.120 0.000 0.000 0.272 595 V C -0.109 175.892 176.094 -0.155 0.000 1.043 595 V CA -0.467 61.620 62.300 -0.355 0.000 0.915 595 V CB 0.924 32.344 31.823 -0.672 0.000 0.988 595 V HN 0.912 nan 8.190 nan 0.000 0.466 596 S N 6.735 122.402 115.700 -0.055 0.000 2.503 596 S HA 0.923 5.393 4.470 0.000 0.000 0.301 596 S C -0.808 173.840 174.600 0.079 0.000 1.087 596 S CA -0.801 57.396 58.200 -0.006 0.000 1.042 596 S CB 1.884 65.044 63.200 -0.066 0.000 1.043 596 S HN 0.762 nan 8.310 nan 0.000 0.489 597 L N -0.601 120.658 121.223 0.060 0.000 2.424 597 L HA 0.848 5.188 4.340 0.000 0.000 0.258 597 L C -0.954 175.868 176.870 -0.081 0.000 0.995 597 L CA -1.068 53.789 54.840 0.028 0.000 0.821 597 L CB 1.942 43.978 42.059 -0.038 0.000 1.383 597 L HN 0.790 nan 8.230 nan 0.000 0.410 598 E N 0.177 120.243 120.200 -0.222 0.000 2.433 598 E HA 0.636 4.986 4.350 0.000 0.000 0.264 598 E C -1.866 174.332 176.600 -0.670 0.000 0.960 598 E CA -0.918 55.337 56.400 -0.242 0.000 0.866 598 E CB 2.045 31.773 29.700 0.047 0.000 1.615 598 E HN 0.554 nan 8.360 nan 0.000 0.442 599 Y N -0.509 119.865 120.300 0.124 0.000 2.588 599 Y HA 0.487 5.037 4.550 -0.000 0.000 0.343 599 Y C -0.488 175.473 175.900 0.101 0.000 1.065 599 Y CA -1.153 57.035 58.100 0.146 0.000 1.038 599 Y CB 2.082 40.658 38.460 0.193 0.000 1.297 599 Y HN 0.497 nan 8.280 nan 0.000 0.467 600 R N 0.382 121.038 120.500 0.260 0.000 2.725 600 R HA 0.749 5.089 4.340 0.000 0.000 0.277 600 R C -3.484 173.019 176.300 0.339 0.000 0.987 600 R CA -2.163 54.009 56.100 0.120 0.000 0.901 600 R CB 2.229 32.431 30.300 -0.164 0.000 1.207 600 R HN 0.232 nan 8.270 nan 0.000 0.463 601 P HA -0.055 nan 4.420 nan 0.000 0.269 601 P C -0.366 177.083 177.300 0.247 0.000 1.217 601 P CA -0.537 62.751 63.100 0.314 0.000 0.783 601 P CB 0.619 32.428 31.700 0.181 0.000 0.898 602 V N 0.996 121.001 119.914 0.153 0.000 2.617 602 V HA 0.397 4.517 4.120 0.000 0.000 0.298 602 V C -0.186 176.023 176.094 0.192 0.000 1.048 602 V CA -0.618 61.755 62.300 0.121 0.000 0.964 602 V CB 0.688 32.471 31.823 -0.068 0.000 1.004 602 V HN 0.201 nan 8.190 nan 0.000 0.466 603 I N 4.182 124.884 120.570 0.220 0.000 2.396 603 I HA 0.326 4.496 4.170 0.000 0.000 0.289 603 I C 0.580 176.812 176.117 0.190 0.000 1.056 603 I CA 0.243 61.658 61.300 0.191 0.000 1.365 603 I CB 0.771 38.883 38.000 0.186 0.000 1.407 603 I HN 0.761 nan 8.210 nan 0.000 0.509 604 D N 4.170 124.680 120.400 0.183 0.000 2.380 604 D HA 0.014 4.654 4.640 0.000 0.000 0.212 604 D C 0.794 177.215 176.300 0.201 0.000 1.021 604 D CA 0.504 54.623 54.000 0.198 0.000 0.884 604 D CB 0.526 41.438 40.800 0.186 0.000 1.001 604 D HN 0.539 nan 8.370 nan 0.000 0.506 605 K N 1.183 121.686 120.400 0.172 0.000 2.270 605 K HA 0.282 4.602 4.320 0.000 0.000 0.276 605 K C 0.534 177.238 176.600 0.173 0.000 1.023 605 K CA -0.299 56.082 56.287 0.156 0.000 0.955 605 K CB 0.935 33.510 32.500 0.125 0.000 0.975 605 K HN -0.117 nan 8.250 nan 0.000 0.471 606 T N -0.399 114.256 114.554 0.170 0.000 2.867 606 T HA 0.190 4.540 4.350 0.000 0.000 0.286 606 T C 1.301 176.109 174.700 0.181 0.000 1.022 606 T CA -0.892 61.335 62.100 0.212 0.000 0.933 606 T CB 0.303 69.245 68.868 0.122 0.000 1.280 606 T HN 0.586 nan 8.240 nan 0.000 0.566 607 L N 0.171 121.551 121.223 0.261 0.000 2.395 607 L HA 0.253 4.593 4.340 0.000 0.000 0.218 607 L C 0.762 177.685 176.870 0.089 0.000 1.130 607 L CA 0.615 55.453 54.840 -0.005 0.000 0.826 607 L CB -0.348 41.482 42.059 -0.382 0.000 0.941 607 L HN 0.685 nan 8.230 nan 0.000 0.451 608 N N -0.747 118.078 118.700 0.209 0.000 2.976 608 N HA -0.001 4.739 4.740 0.000 0.000 0.249 608 N C 0.268 175.829 175.510 0.085 0.000 1.258 608 N CA -0.133 52.999 53.050 0.137 0.000 0.864 608 N CB 0.947 39.522 38.487 0.147 0.000 1.551 608 N HN -0.132 nan 8.380 nan 0.000 0.607 609 E N 3.089 123.322 120.200 0.054 0.000 2.147 609 E HA -0.109 4.241 4.350 0.000 0.000 0.199 609 E C 1.461 178.062 176.600 0.002 0.000 1.005 609 E CA 2.140 58.554 56.400 0.023 0.000 0.810 609 E CB -0.034 29.686 29.700 0.034 0.000 0.736 609 E HN 0.652 nan 8.360 nan 0.000 0.460 610 A N -0.067 122.765 122.820 0.019 0.000 1.969 610 A HA -0.156 4.164 4.320 0.000 0.000 0.218 610 A C 2.033 179.620 177.584 0.005 0.000 1.169 610 A CA 1.874 53.918 52.037 0.012 0.000 0.635 610 A CB -0.515 18.499 19.000 0.023 0.000 0.810 610 A HN 0.354 nan 8.150 nan 0.000 0.445 611 D N -2.434 117.982 120.400 0.025 0.000 2.277 611 D HA 0.034 4.674 4.640 0.000 0.000 0.209 611 D C 0.069 176.313 176.300 -0.093 0.000 0.970 611 D CA 0.841 54.864 54.000 0.040 0.000 0.874 611 D CB 0.323 41.228 40.800 0.174 0.000 0.982 611 D HN 0.267 nan 8.370 nan 0.000 0.504 612 C N 1.279 120.458 119.300 -0.202 0.000 2.781 612 C HA 0.796 5.256 4.460 0.000 0.000 0.348 612 C C -0.206 174.590 174.990 -0.323 0.000 1.051 612 C CA -0.751 57.986 59.018 -0.469 0.000 1.347 612 C CB -0.621 26.479 27.740 -1.067 0.000 1.846 612 C HN 0.333 nan 8.230 nan 0.000 0.473 613 A N 4.715 127.448 122.820 -0.146 0.000 2.445 613 A HA 0.527 4.847 4.320 0.000 0.000 0.242 613 A C 0.708 178.361 177.584 0.114 0.000 1.075 613 A CA 0.506 52.532 52.037 -0.018 0.000 0.777 613 A CB 0.188 19.180 19.000 -0.014 0.000 1.013 613 A HN 0.886 nan 8.150 nan 0.000 0.493 614 T N 1.368 116.013 114.554 0.152 0.000 2.930 614 T HA 0.365 4.715 4.350 0.000 0.000 0.306 614 T C 0.053 174.924 174.700 0.285 0.000 1.045 614 T CA 0.042 62.300 62.100 0.263 0.000 1.134 614 T CB 0.502 69.488 68.868 0.197 0.000 0.961 614 T HN 0.421 nan 8.240 nan 0.000 0.545 615 V N 6.944 127.079 119.914 0.368 0.000 2.311 615 V HA 0.281 4.401 4.120 0.000 0.000 0.275 615 V C -2.126 174.203 176.094 0.392 0.000 1.022 615 V CA -2.028 60.497 62.300 0.376 0.000 0.830 615 V CB 0.864 32.940 31.823 0.421 0.000 1.012 615 V HN 0.715 nan 8.190 nan 0.000 0.452 616 P HA 0.213 nan 4.420 nan 0.000 0.269 616 P C -2.613 174.293 177.300 -0.656 0.000 1.209 616 P CA -1.222 61.805 63.100 -0.121 0.000 0.776 616 P CB -0.062 31.601 31.700 -0.062 0.000 0.876 617 P HA 0.121 nan 4.420 nan 0.000 0.265 617 P C -0.654 175.645 177.300 -1.669 0.000 1.193 617 P CA 0.905 62.496 63.100 -2.516 0.000 0.765 617 P CB 0.324 30.813 31.700 -2.019 0.000 0.823 618 A N 3.690 125.479 122.820 -1.719 0.000 2.486 618 A HA 0.665 4.985 4.320 0.000 0.000 0.277 618 A C -0.769 176.613 177.584 -0.336 0.000 1.282 618 A CA -0.576 51.088 52.037 -0.622 0.000 0.784 618 A CB 0.769 19.617 19.000 -0.254 0.000 1.350 618 A HN 0.339 nan 8.150 nan 0.000 0.454 619 I N 0.957 121.485 120.570 -0.070 0.000 2.529 619 I HA 0.253 4.423 4.170 0.000 0.000 0.284 619 I C 0.631 176.819 176.117 0.119 0.000 1.082 619 I CA -0.036 61.284 61.300 0.034 0.000 1.406 619 I CB 0.829 38.853 38.000 0.041 0.000 1.405 619 I HN 0.698 nan 8.210 nan 0.000 0.548 620 R N 5.397 125.998 120.500 0.168 0.000 2.248 620 R HA 0.374 4.714 4.340 0.000 0.000 0.328 620 R C -0.756 175.631 176.300 0.145 0.000 1.067 620 R CA 0.088 56.312 56.100 0.208 0.000 0.924 620 R CB 0.206 30.655 30.300 0.248 0.000 1.013 620 R HN 0.819 nan 8.270 nan 0.000 0.454 621 S N 2.862 118.599 115.700 0.062 0.000 2.579 621 S HA 0.419 4.889 4.470 0.000 0.000 0.290 621 S C -1.492 173.035 174.600 -0.121 0.000 1.123 621 S CA -0.983 57.255 58.200 0.064 0.000 0.894 621 S CB 0.418 63.647 63.200 0.049 0.000 1.095 621 S HN 0.402 nan 8.310 nan 0.000 0.450 622 Y N 0.000 120.333 120.300 0.056 0.000 2.660 622 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 622 Y CA 0.000 58.123 58.100 0.039 0.000 1.940 622 Y CB 0.000 38.470 38.460 0.017 0.000 1.050 622 Y HN 0.000 nan 8.280 nan 0.000 0.758