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 3aec_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 0.000 174.643 174.600 0.072 0.000 1.055 10 S CA 0.000 58.249 58.200 0.082 0.000 1.107 10 S CB 0.000 63.228 63.200 0.046 0.000 0.593 11 T N 0.755 115.340 114.554 0.052 0.000 10.222 11 T HA -0.335 -1.247 4.350 -8.770 0.000 0.382 11 T C 1.288 175.985 174.700 -0.005 0.000 1.698 11 T CA 2.200 64.312 62.100 0.020 0.000 2.662 11 T CB -0.905 67.967 68.868 0.007 0.000 2.712 11 T HN 0.618 nan 8.240 nan 0.000 1.066 12 Q N 0.399 120.197 119.800 -0.003 0.000 2.204 12 Q HA 0.223 -0.700 4.340 -8.770 0.000 0.198 12 Q C -0.011 175.813 176.000 -0.293 0.000 0.946 12 Q CA 1.100 56.812 55.803 -0.151 0.000 0.859 12 Q CB 0.223 28.857 28.738 -0.173 0.000 0.946 12 Q HN 0.754 nan 8.270 nan 0.000 0.474 13 Y N 0.299 120.606 120.300 0.011 0.000 2.377 13 Y HA 0.460 -0.252 4.550 -8.770 0.000 0.339 13 Y C -2.024 173.868 175.900 -0.014 0.000 1.011 13 Y CA -3.088 55.014 58.100 0.003 0.000 1.093 13 Y CB 1.274 39.736 38.460 0.003 0.000 1.201 13 Y HN 0.003 nan 8.280 nan 0.000 0.455 14 P HA 0.068 nan 4.420 nan 0.000 0.268 14 P C -0.890 176.406 177.300 -0.007 0.000 1.282 14 P CA -0.216 62.908 63.100 0.040 0.000 0.880 14 P CB -0.084 31.632 31.700 0.027 0.000 0.971 15 V N 2.685 122.596 119.914 -0.004 0.000 2.408 15 V HA 0.339 -0.804 4.120 -8.770 0.000 0.267 15 V C 0.072 176.124 176.094 -0.071 0.000 1.047 15 V CA -0.537 61.739 62.300 -0.041 0.000 0.937 15 V CB 1.115 32.937 31.823 -0.001 0.000 0.999 15 V HN 0.117 nan 8.190 nan 0.000 0.472 16 V N 4.439 124.269 119.914 -0.141 0.000 2.350 16 V HA 0.409 -0.733 4.120 -8.770 0.000 0.285 16 V C -0.587 175.476 176.094 -0.053 0.000 1.014 16 V CA -0.357 61.878 62.300 -0.108 0.000 0.831 16 V CB 1.345 33.115 31.823 -0.089 0.000 1.000 16 V HN 0.944 nan 8.190 nan 0.000 0.433 17 D N 3.241 123.591 120.400 -0.085 0.000 2.225 17 D HA 0.428 -0.194 4.640 -8.770 0.000 0.248 17 D C -0.154 176.070 176.300 -0.128 0.000 1.096 17 D CA -0.034 53.948 54.000 -0.030 0.000 0.863 17 D CB 0.601 41.400 40.800 -0.001 0.000 1.156 17 D HN 0.500 nan 8.370 nan 0.000 0.450 18 H N 1.333 120.504 119.070 0.169 0.000 2.492 18 H HA 0.377 -0.329 4.556 -8.770 0.000 0.345 18 H C -0.361 175.059 175.328 0.153 0.000 1.136 18 H CA -0.522 55.654 56.048 0.213 0.000 1.202 18 H CB 1.540 31.570 29.762 0.447 0.000 1.524 18 H HN 0.371 nan 8.280 nan 0.000 0.506 19 E N 2.439 122.674 120.200 0.060 0.000 2.145 19 E HA 0.397 -0.515 4.350 -8.770 0.000 0.270 19 E C -1.037 175.378 176.600 -0.308 0.000 0.906 19 E CA -0.259 56.115 56.400 -0.042 0.000 0.761 19 E CB 1.480 31.132 29.700 -0.079 0.000 1.116 19 E HN 0.292 nan 8.360 nan 0.000 0.408 20 F N 0.447 120.448 119.950 0.085 0.000 2.664 20 F HA 0.235 -0.500 4.527 -8.770 0.000 0.317 20 F C 0.872 176.714 175.800 0.071 0.000 1.108 20 F CA -0.765 57.280 58.000 0.075 0.000 0.957 20 F CB 1.810 40.851 39.000 0.069 0.000 1.365 20 F HN 0.330 nan 8.300 nan 0.000 0.475 21 D N 0.563 121.157 120.400 0.324 0.000 2.216 21 D HA 0.257 -0.365 4.640 -8.770 0.000 0.208 21 D C 0.035 176.452 176.300 0.194 0.000 0.960 21 D CA 1.003 55.161 54.000 0.263 0.000 0.861 21 D CB 0.416 41.436 40.800 0.365 0.000 0.985 21 D HN 0.408 nan 8.370 nan 0.000 0.493 22 A N 0.049 122.958 122.820 0.148 0.000 2.520 22 A HA 0.570 -0.372 4.320 -8.770 0.000 0.298 22 A C -1.239 176.307 177.584 -0.064 0.000 1.051 22 A CA -0.521 51.513 52.037 -0.006 0.000 0.690 22 A CB 1.942 20.853 19.000 -0.148 0.000 1.281 22 A HN -0.109 nan 8.150 nan 0.000 0.402 23 V N 2.033 121.893 119.914 -0.090 0.000 2.448 23 V HA 0.506 -0.636 4.120 -8.770 0.000 0.295 23 V C -0.587 175.429 176.094 -0.130 0.000 1.025 23 V CA -0.502 61.709 62.300 -0.148 0.000 0.859 23 V CB 1.701 33.448 31.823 -0.126 0.000 0.988 23 V HN 0.696 nan 8.190 nan 0.000 0.431 24 V N 5.849 125.675 119.914 -0.147 0.000 2.334 24 V HA 0.366 -0.776 4.120 -8.770 0.000 0.281 24 V C -0.097 175.945 176.094 -0.088 0.000 1.016 24 V CA -0.624 61.612 62.300 -0.107 0.000 0.832 24 V CB 1.755 33.516 31.823 -0.103 0.000 0.999 24 V HN 0.599 nan 8.190 nan 0.000 0.439 25 V N 4.698 124.566 119.914 -0.076 0.000 2.353 25 V HA 0.856 -0.286 4.120 -8.770 0.000 0.264 25 V C 0.709 176.769 176.094 -0.058 0.000 1.049 25 V CA 0.473 62.727 62.300 -0.078 0.000 0.896 25 V CB 0.459 32.226 31.823 -0.093 0.000 1.025 25 V HN 1.223 nan 8.190 nan 0.000 0.475 26 G N 3.960 112.734 108.800 -0.042 0.000 2.535 26 G HA2 0.423 -0.879 3.960 -8.770 0.000 0.662 26 G HA3 0.423 -0.879 3.960 -8.770 0.000 0.662 26 G C -0.375 174.528 174.900 0.006 0.000 1.417 26 G CA -0.206 44.879 45.100 -0.024 0.000 0.866 26 G HN 1.262 nan 8.290 nan 0.000 0.647 27 A N 0.844 123.665 122.820 0.001 0.000 2.643 27 A HA 0.791 -0.151 4.320 -8.770 0.000 0.295 27 A C 1.328 178.902 177.584 -0.016 0.000 1.065 27 A CA 1.168 53.203 52.037 -0.003 0.000 0.986 27 A CB -0.142 18.823 19.000 -0.059 0.000 1.212 27 A HN 2.081 nan 8.150 nan 0.000 0.516 28 G N -0.283 108.525 108.800 0.013 0.000 2.580 28 G HA2 0.380 -0.922 3.960 -8.770 0.000 0.225 28 G HA3 0.380 -0.922 3.960 -8.770 0.000 0.225 28 G C 1.153 176.082 174.900 0.049 0.000 1.521 28 G CA 0.378 45.495 45.100 0.029 0.000 1.068 28 G HN 0.532 nan 8.290 nan 0.000 0.564 29 G N -0.316 108.524 108.800 0.067 0.000 2.395 29 G HA2 0.159 -1.144 3.960 -8.770 0.000 0.214 29 G HA3 0.159 -1.144 3.960 -8.770 0.000 0.214 29 G C 1.975 176.930 174.900 0.091 0.000 1.177 29 G CA 1.703 46.855 45.100 0.087 0.000 0.794 29 G HN 0.839 nan 8.290 nan 0.000 0.532 30 A N 0.944 123.813 122.820 0.082 0.000 1.898 30 A HA 0.199 -0.744 4.320 -8.770 0.000 0.216 30 A C 2.693 180.299 177.584 0.037 0.000 1.181 30 A CA 2.024 54.103 52.037 0.070 0.000 0.620 30 A CB -1.116 17.935 19.000 0.084 0.000 0.819 30 A HN 0.505 nan 8.150 nan 0.000 0.442 31 G N -0.143 108.681 108.800 0.039 0.000 2.446 31 G HA2 -0.164 -1.466 3.960 -8.770 0.000 0.217 31 G HA3 -0.164 -1.466 3.960 -8.770 0.000 0.217 31 G C 1.430 176.361 174.900 0.050 0.000 1.168 31 G CA 1.336 46.453 45.100 0.028 0.000 0.771 31 G HN 0.342 nan 8.290 nan 0.000 0.551 32 L N 0.262 121.549 121.223 0.107 0.000 2.005 32 L HA 0.088 -0.834 4.340 -8.770 0.000 0.207 32 L C 2.801 179.741 176.870 0.117 0.000 1.072 32 L CA 1.668 56.642 54.840 0.222 0.000 0.744 32 L CB -0.832 41.399 42.059 0.287 0.000 0.895 32 L HN 0.172 nan 8.230 nan 0.000 0.433 33 R N -0.073 120.445 120.500 0.029 0.000 2.117 33 R HA -0.173 -1.095 4.340 -8.770 0.000 0.243 33 R C 2.071 178.078 176.300 -0.488 0.000 1.143 33 R CA 1.740 57.675 56.100 -0.275 0.000 0.968 33 R CB -0.650 29.612 30.300 -0.064 0.000 0.863 33 R HN 0.394 nan 8.270 nan 0.000 0.444 34 A N -0.224 122.443 122.820 -0.256 0.000 1.897 34 A HA 0.099 -0.844 4.320 -8.770 0.000 0.215 34 A C 2.344 179.755 177.584 -0.288 0.000 1.181 34 A CA 1.402 53.286 52.037 -0.255 0.000 0.620 34 A CB -0.993 17.914 19.000 -0.154 0.000 0.821 34 A HN 0.463 nan 8.150 nan 0.000 0.443 35 A N 0.203 122.912 122.820 -0.185 0.000 1.841 35 A HA -0.031 -0.974 4.320 -8.770 0.000 0.216 35 A C 2.014 179.528 177.584 -0.118 0.000 1.199 35 A CA 1.819 53.789 52.037 -0.111 0.000 0.621 35 A CB -1.054 17.975 19.000 0.048 0.000 0.835 35 A HN 1.093 nan 8.150 nan 0.000 0.445 36 F N 0.036 119.957 119.950 -0.048 0.000 2.456 36 F HA 0.265 -0.469 4.527 -8.770 0.000 0.298 36 F C 1.924 177.517 175.800 -0.346 0.000 1.104 36 F CA 0.574 58.480 58.000 -0.156 0.000 1.435 36 F CB -1.033 37.979 39.000 0.020 0.000 1.078 36 F HN 0.102 nan 8.300 nan 0.000 0.546 37 G N 1.455 109.766 108.800 -0.815 0.000 2.443 37 G HA2 -0.121 -1.423 3.960 -8.770 0.000 0.219 37 G HA3 -0.121 -1.423 3.960 -8.770 0.000 0.219 37 G C 1.662 176.372 174.900 -0.317 0.000 1.131 37 G CA 0.971 45.737 45.100 -0.556 0.000 0.775 37 G HN 0.470 nan 8.290 nan 0.000 0.547 38 L N 0.487 121.536 121.223 -0.291 0.000 2.095 38 L HA 0.011 -0.911 4.340 -8.770 0.000 0.204 38 L C 3.048 179.915 176.870 -0.006 0.000 1.080 38 L CA 0.945 55.661 54.840 -0.206 0.000 0.759 38 L CB -0.134 41.752 42.059 -0.288 0.000 0.914 38 L HN 0.123 nan 8.230 nan 0.000 0.439 39 S N -0.816 114.837 115.700 -0.078 0.000 2.447 39 S HA -0.185 -0.977 4.470 -8.770 0.000 0.233 39 S C 1.791 176.320 174.600 -0.118 0.000 1.006 39 S CA 0.844 59.029 58.200 -0.026 0.000 0.957 39 S CB -0.100 63.100 63.200 -0.001 0.000 0.773 39 S HN 0.378 nan 8.310 nan 0.000 0.507 40 E N 1.212 121.212 120.200 -0.333 0.000 2.106 40 E HA -0.064 -0.976 4.350 -8.770 0.000 0.192 40 E C 1.970 178.561 176.600 -0.015 0.000 0.984 40 E CA 0.879 57.113 56.400 -0.278 0.000 0.806 40 E CB -0.131 29.392 29.700 -0.296 0.000 0.750 40 E HN 0.511 nan 8.360 nan 0.000 0.458 41 A N -0.223 122.623 122.820 0.043 0.000 2.167 41 A HA 0.163 -0.779 4.320 -8.770 0.000 0.214 41 A C 1.570 179.210 177.584 0.093 0.000 1.151 41 A CA 1.077 53.192 52.037 0.131 0.000 0.735 41 A CB -0.119 19.037 19.000 0.261 0.000 0.802 41 A HN 0.426 nan 8.150 nan 0.000 0.467 42 G N -2.292 106.561 108.800 0.087 0.000 2.151 42 G HA2 -0.141 -1.443 3.960 -8.770 0.000 0.156 42 G HA3 -0.141 -1.443 3.960 -8.770 0.000 0.156 42 G C -0.225 174.599 174.900 -0.128 0.000 1.017 42 G CA -0.289 44.792 45.100 -0.031 0.000 0.686 42 G HN 0.227 nan 8.290 nan 0.000 0.503 43 F N 0.831 120.769 119.950 -0.020 0.000 2.397 43 F HA 0.424 -0.311 4.527 -8.769 0.000 0.331 43 F C 0.966 176.779 175.800 0.023 0.000 1.090 43 F CA -0.890 57.106 58.000 -0.006 0.000 1.065 43 F CB 1.181 40.162 39.000 -0.032 0.000 1.184 43 F HN 0.076 nan 8.300 nan 0.000 0.499 44 N N 2.062 120.898 118.700 0.227 0.000 2.508 44 N HA 0.079 -0.443 4.740 -8.770 0.000 0.253 44 N C -1.095 174.628 175.510 0.356 0.000 1.145 44 N CA -0.101 53.093 53.050 0.240 0.000 0.973 44 N CB 0.216 38.805 38.487 0.170 0.000 1.305 44 N HN 0.572 nan 8.380 nan 0.000 0.506 45 T N 1.569 116.241 114.554 0.197 0.000 2.829 45 T HA 0.539 -0.373 4.350 -8.770 0.000 0.282 45 T C -0.044 174.503 174.700 -0.254 0.000 0.990 45 T CA -0.660 61.443 62.100 0.005 0.000 1.028 45 T CB 1.760 70.582 68.868 -0.077 0.000 0.951 45 T HN 0.469 nan 8.240 nan 0.000 0.460 46 A N 1.115 123.597 122.820 -0.563 0.000 2.340 46 A HA 0.710 -0.232 4.320 -8.770 0.000 0.331 46 A C -0.348 176.981 177.584 -0.426 0.000 1.140 46 A CA -0.759 50.802 52.037 -0.792 0.000 0.801 46 A CB 0.988 19.140 19.000 -1.412 0.000 1.234 46 A HN 0.976 nan 8.150 nan 0.000 0.469 47 C N 2.596 121.706 119.300 -0.317 0.000 2.381 47 C HA 0.668 -0.134 4.460 -8.770 0.000 0.328 47 C C -0.796 174.188 174.990 -0.010 0.000 1.190 47 C CA -0.310 58.619 59.018 -0.147 0.000 1.369 47 C CB -0.200 27.483 27.740 -0.095 0.000 2.029 47 C HN 0.710 nan 8.230 nan 0.000 0.448 48 V N 5.569 125.451 119.914 -0.053 0.000 2.427 48 V HA 0.773 -0.369 4.120 -8.770 0.000 0.286 48 V C 0.388 176.481 176.094 -0.002 0.000 1.034 48 V CA 0.008 62.280 62.300 -0.047 0.000 0.893 48 V CB 1.591 33.328 31.823 -0.143 0.000 0.982 48 V HN 0.943 nan 8.190 nan 0.000 0.452 49 T N 3.336 117.924 114.554 0.057 0.000 3.105 49 T HA 0.330 -0.583 4.350 -8.770 0.000 0.321 49 T C 0.576 175.331 174.700 0.092 0.000 1.135 49 T CA -0.523 61.603 62.100 0.044 0.000 1.053 49 T CB 1.598 70.487 68.868 0.035 0.000 1.133 49 T HN 0.854 nan 8.240 nan 0.000 0.463 50 K N 3.782 124.208 120.400 0.043 0.000 2.296 50 K HA 0.249 -0.693 4.320 -8.770 0.000 0.200 50 K C 0.519 177.188 176.600 0.115 0.000 1.048 50 K CA 0.415 56.757 56.287 0.092 0.000 0.966 50 K CB 0.034 32.597 32.500 0.104 0.000 0.754 50 K HN 0.440 nan 8.250 nan 0.000 0.466 51 L N 0.079 121.367 121.223 0.108 0.000 2.347 51 L HA 0.392 -0.530 4.340 -8.770 0.000 0.268 51 L C -0.189 176.778 176.870 0.162 0.000 1.019 51 L CA -1.513 53.415 54.840 0.147 0.000 0.806 51 L CB 0.539 42.669 42.059 0.118 0.000 1.339 51 L HN -0.087 nan 8.230 nan 0.000 0.463 52 F N 1.518 121.487 119.950 0.032 0.000 2.412 52 F HA 0.292 -0.443 4.527 -8.770 0.000 0.348 52 F C -1.592 174.128 175.800 -0.134 0.000 1.102 52 F CA -1.751 56.223 58.000 -0.044 0.000 1.196 52 F CB 0.984 39.950 39.000 -0.056 0.000 1.144 52 F HN 0.224 nan 8.300 nan 0.000 0.541 53 P HA -0.238 nan 4.420 nan 0.000 0.219 53 P C 1.487 178.442 177.300 -0.576 0.000 1.161 53 P CA 2.722 65.354 63.100 -0.780 0.000 0.909 53 P CB -0.109 30.889 31.700 -1.169 0.000 0.793 54 T N -0.520 113.636 114.554 -0.663 0.000 2.788 54 T HA -0.115 -1.027 4.350 -8.770 0.000 0.268 54 T C 1.234 175.888 174.700 -0.076 0.000 1.044 54 T CA 1.069 62.960 62.100 -0.349 0.000 1.139 54 T CB -0.500 68.237 68.868 -0.219 0.000 0.867 54 T HN 0.251 nan 8.240 nan 0.000 0.454 55 R N 1.623 122.165 120.500 0.070 0.000 2.788 55 R HA 0.348 -0.575 4.340 -8.770 0.000 0.264 55 R C 0.818 177.169 176.300 0.085 0.000 1.267 55 R CA -0.187 55.979 56.100 0.111 0.000 1.213 55 R CB -0.067 30.335 30.300 0.171 0.000 1.256 55 R HN 0.195 nan 8.270 nan 0.000 0.556 56 S N 0.490 116.210 115.700 0.033 0.000 2.121 56 S HA -0.022 -0.814 4.470 -8.770 0.000 0.211 56 S C 0.970 175.651 174.600 0.134 0.000 1.316 56 S CA 0.130 58.365 58.200 0.058 0.000 1.061 56 S CB 0.054 63.263 63.200 0.015 0.000 0.831 56 S HN 0.487 nan 8.310 nan 0.000 0.419 57 H N 0.000 119.074 119.070 0.006 0.000 3.205 57 H HA 0.203 -0.503 4.556 -8.770 0.000 0.252 57 H C 1.881 177.219 175.328 0.016 0.000 1.015 57 H CA 1.163 57.216 56.048 0.008 0.000 1.192 57 H CB -0.456 29.297 29.762 -0.015 0.000 1.474 57 H HN 0.569 nan 8.280 nan 0.000 0.484 58 T N -1.140 113.431 114.554 0.030 0.000 2.977 58 T HA -0.135 -1.047 4.350 -8.770 0.000 0.271 58 T C 1.879 176.541 174.700 -0.063 0.000 1.105 58 T CA 1.189 63.276 62.100 -0.023 0.000 1.116 58 T CB -1.006 67.880 68.868 0.030 0.000 0.878 58 T HN 0.134 nan 8.240 nan 0.000 0.509 59 V N 1.670 121.561 119.914 -0.039 0.000 2.392 59 V HA -0.097 -1.239 4.120 -8.770 0.000 0.249 59 V C 3.101 179.186 176.094 -0.014 0.000 1.059 59 V CA 1.405 63.728 62.300 0.038 0.000 1.051 59 V CB -1.728 30.153 31.823 0.096 0.000 0.658 59 V HN 0.636 nan 8.190 nan 0.000 0.455 60 A N 0.332 123.027 122.820 -0.208 0.000 2.168 60 A HA 0.430 -0.512 4.320 -8.770 0.000 0.215 60 A C 1.534 179.010 177.584 -0.180 0.000 1.152 60 A CA 0.705 52.590 52.037 -0.254 0.000 0.716 60 A CB -0.653 18.035 19.000 -0.521 0.000 0.794 60 A HN 0.746 nan 8.150 nan 0.000 0.465 61 A N -0.420 122.315 122.820 -0.142 0.000 2.520 61 A HA 0.382 -0.560 4.320 -8.770 0.000 0.245 61 A C 0.770 178.358 177.584 0.006 0.000 1.072 61 A CA 0.244 52.254 52.037 -0.046 0.000 0.761 61 A CB 0.171 19.161 19.000 -0.018 0.000 1.004 61 A HN 0.595 nan 8.150 nan 0.000 0.499 62 Q N 2.181 122.004 119.800 0.038 0.000 2.534 62 Q HA 0.097 -0.825 4.340 -8.770 0.000 0.252 62 Q C 2.096 178.164 176.000 0.114 0.000 0.850 62 Q CA 0.556 56.396 55.803 0.062 0.000 0.974 62 Q CB 0.196 28.965 28.738 0.051 0.000 1.205 62 Q HN 0.886 nan 8.270 nan 0.000 0.593 63 G N 1.009 109.910 108.800 0.169 0.000 2.552 63 G HA2 0.157 -1.146 3.960 -8.770 0.000 0.216 63 G HA3 0.157 -1.146 3.960 -8.770 0.000 0.216 63 G C 0.612 175.556 174.900 0.073 0.000 1.240 63 G CA 0.995 46.263 45.100 0.279 0.000 0.796 63 G HN 0.508 nan 8.290 nan 0.000 0.568 64 G N -1.756 106.998 108.800 -0.077 0.000 2.356 64 G HA2 0.318 -0.984 3.960 -8.770 0.000 0.288 64 G HA3 0.318 -0.984 3.960 -8.770 0.000 0.288 64 G C -1.771 173.070 174.900 -0.098 0.000 1.302 64 G CA -0.322 44.744 45.100 -0.057 0.000 0.887 64 G HN 0.477 nan 8.290 nan 0.000 0.521 65 I N 1.406 121.971 120.570 -0.008 0.000 2.378 65 I HA 0.420 -0.673 4.170 -8.770 0.000 0.291 65 I C -0.788 175.293 176.117 -0.059 0.000 0.992 65 I CA -1.009 60.291 61.300 -0.000 0.000 1.154 65 I CB 1.350 39.413 38.000 0.105 0.000 1.315 65 I HN 0.413 nan 8.210 nan 0.000 0.448 66 N N 6.276 124.926 118.700 -0.084 0.000 2.458 66 N HA 0.566 0.044 4.740 -8.770 0.000 0.270 66 N C -0.641 174.774 175.510 -0.159 0.000 1.102 66 N CA -0.036 52.927 53.050 -0.144 0.000 0.967 66 N CB 1.501 39.941 38.487 -0.079 0.000 1.078 66 N HN 0.657 nan 8.380 nan 0.000 0.471 67 A N 0.962 123.636 122.820 -0.243 0.000 2.517 67 A HA 0.677 -0.265 4.320 -8.770 0.000 0.297 67 A C -0.563 176.886 177.584 -0.226 0.000 1.050 67 A CA -0.765 51.147 52.037 -0.209 0.000 0.694 67 A CB 1.029 19.931 19.000 -0.163 0.000 1.277 67 A HN 0.532 nan 8.150 nan 0.000 0.400 68 A N 2.339 125.062 122.820 -0.162 0.000 3.202 68 A HA 0.496 -0.446 4.320 -8.770 0.000 0.258 68 A C 0.790 178.335 177.584 -0.065 0.000 1.572 68 A CA -0.156 51.827 52.037 -0.090 0.000 1.241 68 A CB -0.976 18.037 19.000 0.023 0.000 1.127 68 A HN 0.838 nan 8.150 nan 0.000 0.648 69 L N 0.438 121.603 121.223 -0.096 0.000 2.131 69 L HA 0.120 -0.802 4.340 -8.770 0.000 0.206 69 L C 1.669 178.499 176.870 -0.066 0.000 1.087 69 L CA 0.969 55.755 54.840 -0.091 0.000 0.767 69 L CB -0.178 41.805 42.059 -0.127 0.000 0.917 69 L HN 0.749 nan 8.230 nan 0.000 0.441 70 G N 0.862 109.630 108.800 -0.055 0.000 2.422 70 G HA2 -0.249 -1.551 3.960 -8.770 0.000 0.290 70 G HA3 -0.249 -1.551 3.960 -8.770 0.000 0.290 70 G C 0.225 175.105 174.900 -0.034 0.000 1.059 70 G CA 0.346 45.431 45.100 -0.025 0.000 1.242 70 G HN 0.320 nan 8.290 nan 0.000 0.520 71 N N -0.117 118.551 118.700 -0.053 0.000 2.388 71 N HA 0.100 -0.423 4.740 -8.770 0.000 0.176 71 N C 2.332 177.809 175.510 -0.055 0.000 1.062 71 N CA 0.950 53.968 53.050 -0.054 0.000 0.895 71 N CB -0.069 38.379 38.487 -0.066 0.000 1.018 71 N HN 0.499 nan 8.380 nan 0.000 0.456 72 M N 0.538 120.094 119.600 -0.074 0.000 2.224 72 M HA 0.082 -0.700 4.480 -8.770 0.000 0.253 72 M C 0.946 177.207 176.300 -0.065 0.000 1.115 72 M CA 1.165 56.401 55.300 -0.108 0.000 1.168 72 M CB -0.844 31.631 32.600 -0.209 0.000 1.288 72 M HN 0.077 nan 8.290 nan 0.000 0.446 73 E N 1.834 122.023 120.200 -0.018 0.000 2.316 73 E HA 0.331 -0.581 4.350 -8.770 0.000 0.258 73 E C -1.024 175.610 176.600 0.056 0.000 0.952 73 E CA -0.574 55.843 56.400 0.029 0.000 0.818 73 E CB 0.786 30.528 29.700 0.070 0.000 1.260 73 E HN 0.267 nan 8.360 nan 0.000 0.416 74 E N 0.789 121.038 120.200 0.081 0.000 2.344 74 E HA 0.362 -0.550 4.350 -8.770 0.000 0.270 74 E C -0.941 175.763 176.600 0.174 0.000 1.021 74 E CA -0.288 56.167 56.400 0.092 0.000 0.887 74 E CB 0.695 30.447 29.700 0.087 0.000 0.997 74 E HN 0.364 nan 8.360 nan 0.000 0.429 75 D N 1.860 122.303 120.400 0.071 0.000 2.732 75 D HA 0.322 -0.300 4.640 -8.770 0.000 0.229 75 D C -1.548 174.563 176.300 -0.315 0.000 1.152 75 D CA -0.790 53.236 54.000 0.043 0.000 0.854 75 D CB 1.309 42.153 40.800 0.073 0.000 1.590 75 D HN 0.417 nan 8.370 nan 0.000 0.468 76 N N 2.407 120.617 118.700 -0.817 0.000 2.321 76 N HA 0.146 -0.376 4.740 -8.770 0.000 0.299 76 N C 1.063 176.213 175.510 -0.600 0.000 1.048 76 N CA -0.734 51.733 53.050 -0.973 0.000 0.836 76 N CB 1.077 38.450 38.487 -1.858 0.000 1.269 76 N HN 0.650 nan 8.380 nan 0.000 0.486 77 W N 4.254 125.338 121.300 -0.359 0.000 2.465 77 W HA -0.009 -0.612 4.660 -8.772 0.000 0.268 77 W C 0.586 177.043 176.519 -0.103 0.000 1.242 77 W CA 0.108 57.356 57.345 -0.161 0.000 1.248 77 W CB -0.309 29.071 29.460 -0.134 0.000 1.118 77 W HN 0.474 nan 8.180 nan 0.000 0.587 78 R N -0.361 119.516 120.500 -1.038 0.000 2.189 78 R HA -0.094 -1.016 4.340 -8.770 0.000 0.218 78 R C 2.028 178.152 176.300 -0.293 0.000 1.074 78 R CA 1.823 57.402 56.100 -0.868 0.000 0.991 78 R CB -0.603 29.115 30.300 -0.970 0.000 0.883 78 R HN 0.102 nan 8.270 nan 0.000 0.457 79 W N -0.208 120.823 121.300 -0.449 0.000 2.467 79 W HA -0.040 -0.643 4.660 -8.771 0.000 0.275 79 W C 1.943 178.459 176.519 -0.006 0.000 1.239 79 W CA 0.532 57.627 57.345 -0.416 0.000 1.266 79 W CB -1.029 28.194 29.460 -0.395 0.000 1.112 79 W HN 0.332 nan 8.180 nan 0.000 0.576 80 H N -1.023 118.145 119.070 0.164 0.000 2.428 80 H HA -0.171 -0.876 4.556 -8.769 0.000 0.296 80 H C 2.115 177.551 175.328 0.180 0.000 1.062 80 H CA 1.405 57.549 56.048 0.160 0.000 1.350 80 H CB -0.325 29.526 29.762 0.148 0.000 1.403 80 H HN 0.054 nan 8.280 nan 0.000 0.533 81 F N 0.861 120.830 119.950 0.031 0.000 2.102 81 F HA -0.261 -0.995 4.527 -8.768 0.000 0.298 81 F C 2.360 178.188 175.800 0.046 0.000 1.105 81 F CA 1.674 59.675 58.000 0.001 0.000 1.239 81 F CB -0.905 38.119 39.000 0.040 0.000 0.991 81 F HN 0.149 nan 8.300 nan 0.000 0.474 82 Y N 1.354 121.653 120.300 -0.002 0.000 2.181 82 Y HA -0.222 -0.933 4.550 -8.768 0.000 0.288 82 Y C 2.201 178.008 175.900 -0.155 0.000 1.146 82 Y CA 2.218 60.290 58.100 -0.046 0.000 1.164 82 Y CB -0.812 37.843 38.460 0.325 0.000 0.982 82 Y HN 0.110 nan 8.280 nan 0.000 0.515 83 D N -0.913 119.413 120.400 -0.123 0.000 2.183 83 D HA -0.118 -0.740 4.640 -8.770 0.000 0.203 83 D C 1.999 178.141 176.300 -0.263 0.000 0.969 83 D CA 1.709 55.607 54.000 -0.170 0.000 0.842 83 D CB -0.100 40.752 40.800 0.088 0.000 0.957 83 D HN 0.416 nan 8.370 nan 0.000 0.484 84 T N 0.415 114.789 114.554 -0.300 0.000 2.737 84 T HA -0.096 -1.008 4.350 -8.770 0.000 0.265 84 T C 2.061 176.503 174.700 -0.431 0.000 1.038 84 T CA 0.524 62.436 62.100 -0.313 0.000 1.144 84 T CB -0.275 68.396 68.868 -0.327 0.000 0.866 84 T HN -0.018 nan 8.240 nan 0.000 0.434 85 V N 1.137 120.665 119.914 -0.643 0.000 2.719 85 V HA 0.010 -1.132 4.120 -8.770 0.000 0.252 85 V C 2.394 177.815 176.094 -1.122 0.000 1.065 85 V CA 1.522 63.352 62.300 -0.784 0.000 1.086 85 V CB -0.367 30.939 31.823 -0.863 0.000 0.700 85 V HN 0.370 nan 8.190 nan 0.000 0.467 86 K N -0.217 119.533 120.400 -1.084 0.000 2.062 86 K HA -0.048 -0.990 4.320 -8.770 0.000 0.205 86 K C 2.019 178.221 176.600 -0.663 0.000 1.051 86 K CA 1.405 56.981 56.287 -1.186 0.000 0.941 86 K CB -0.536 31.416 32.500 -0.914 0.000 0.719 86 K HN 0.536 nan 8.250 nan 0.000 0.440 87 G N 0.409 108.972 108.800 -0.394 0.000 2.443 87 G HA2 -0.219 -1.521 3.960 -8.770 0.000 0.219 87 G HA3 -0.219 -1.521 3.960 -8.770 0.000 0.219 87 G C 1.387 176.179 174.900 -0.180 0.000 1.131 87 G CA 0.967 45.958 45.100 -0.182 0.000 0.775 87 G HN 0.478 nan 8.290 nan 0.000 0.547 88 S N -0.128 115.401 115.700 -0.285 0.000 2.603 88 S HA -0.001 -0.793 4.470 -8.770 0.000 0.229 88 S C 1.091 175.594 174.600 -0.162 0.000 0.972 88 S CA 0.963 59.040 58.200 -0.205 0.000 0.935 88 S CB -0.048 63.014 63.200 -0.231 0.000 0.769 88 S HN 0.291 nan 8.310 nan 0.000 0.536 89 D N 0.394 120.685 120.400 -0.181 0.000 2.837 89 D HA -0.195 -0.817 4.640 -8.770 0.000 0.230 89 D C -0.376 176.079 176.300 0.258 0.000 1.152 89 D CA 1.001 55.055 54.000 0.090 0.000 0.736 89 D CB -1.909 38.978 40.800 0.146 0.000 1.084 89 D HN 0.724 nan 8.370 nan 0.000 0.429 90 W N -2.394 118.867 121.300 -0.064 0.000 3.904 90 W HA -0.333 -0.940 4.660 -8.779 0.000 0.312 90 W C 1.423 177.917 176.519 -0.041 0.000 1.159 90 W CA 0.761 58.067 57.345 -0.065 0.000 0.704 90 W CB -2.057 27.348 29.460 -0.092 0.000 2.209 90 W HN 0.322 nan 8.180 nan 0.000 1.468 91 L N 0.378 121.641 121.223 0.066 0.000 2.529 91 L HA 0.370 -0.552 4.340 -8.770 0.000 0.223 91 L C 1.715 178.602 176.870 0.028 0.000 1.113 91 L CA 1.577 56.412 54.840 -0.008 0.000 0.861 91 L CB -0.211 41.785 42.059 -0.104 0.000 1.012 91 L HN -0.053 nan 8.230 nan 0.000 0.461 92 G N 0.235 109.030 108.800 -0.007 0.000 2.365 92 G HA2 0.082 -1.220 3.960 -8.770 0.000 0.249 92 G HA3 0.082 -1.220 3.960 -8.770 0.000 0.249 92 G C -0.760 174.188 174.900 0.080 0.000 1.288 92 G CA -0.447 44.659 45.100 0.010 0.000 0.887 92 G HN 0.149 nan 8.290 nan 0.000 0.524 93 D N 2.300 122.788 120.400 0.146 0.000 2.346 93 D HA 0.043 -0.579 4.640 -8.770 0.000 0.260 93 D C 1.460 177.864 176.300 0.174 0.000 1.252 93 D CA 0.251 54.361 54.000 0.183 0.000 0.895 93 D CB 1.374 42.279 40.800 0.176 0.000 1.097 93 D HN 0.506 nan 8.370 nan 0.000 0.489 94 Q N 1.352 121.277 119.800 0.208 0.000 2.369 94 Q HA -0.116 -1.038 4.340 -8.770 0.000 0.206 94 Q C 1.303 177.527 176.000 0.374 0.000 0.963 94 Q CA 0.697 56.690 55.803 0.318 0.000 0.894 94 Q CB 0.296 29.259 28.738 0.374 0.000 0.965 94 Q HN 0.541 nan 8.270 nan 0.000 0.475 95 D N 0.368 120.908 120.400 0.232 0.000 2.162 95 D HA -0.106 -0.728 4.640 -8.770 0.000 0.203 95 D C 1.633 178.044 176.300 0.185 0.000 0.967 95 D CA 1.228 55.299 54.000 0.118 0.000 0.840 95 D CB -0.052 40.758 40.800 0.016 0.000 0.972 95 D HN 0.135 nan 8.370 nan 0.000 0.482 96 A N 0.789 123.782 122.820 0.288 0.000 1.930 96 A HA 0.104 -0.838 4.320 -8.770 0.000 0.215 96 A C 2.512 180.372 177.584 0.460 0.000 1.176 96 A CA 0.512 52.812 52.037 0.439 0.000 0.632 96 A CB -0.612 18.601 19.000 0.355 0.000 0.819 96 A HN 0.234 nan 8.150 nan 0.000 0.445 97 I N -1.158 119.621 120.570 0.348 0.000 2.394 97 I HA -0.245 -1.337 4.170 -8.770 0.000 0.251 97 I C 2.395 178.800 176.117 0.480 0.000 1.136 97 I CA 1.655 63.142 61.300 0.311 0.000 1.425 97 I CB -0.482 37.605 38.000 0.145 0.000 1.079 97 I HN 0.587 nan 8.210 nan 0.000 0.425 98 H N 0.299 119.634 119.070 0.442 0.000 2.267 98 H HA -0.315 -1.021 4.556 -8.771 0.000 0.297 98 H C 2.339 177.785 175.328 0.197 0.000 1.080 98 H CA 2.238 58.472 56.048 0.311 0.000 1.278 98 H CB -0.277 29.559 29.762 0.124 0.000 1.365 98 H HN 0.346 nan 8.280 nan 0.000 0.489 99 Y N -0.046 120.420 120.300 0.277 0.000 2.274 99 Y HA -0.254 -0.967 4.550 -8.771 0.000 0.290 99 Y C 2.702 178.553 175.900 -0.082 0.000 1.145 99 Y CA 1.679 59.825 58.100 0.077 0.000 1.203 99 Y CB -0.077 38.410 38.460 0.045 0.000 0.984 99 Y HN 0.319 nan 8.280 nan 0.000 0.533 100 M N -0.429 119.139 119.600 -0.054 0.000 2.123 100 M HA -0.153 -0.936 4.480 -8.770 0.000 0.263 100 M C 2.117 178.348 176.300 -0.114 0.000 1.069 100 M CA 2.192 57.383 55.300 -0.181 0.000 1.133 100 M CB -0.270 32.370 32.600 0.068 0.000 1.356 100 M HN 0.419 nan 8.290 nan 0.000 0.415 101 T N -2.554 112.016 114.554 0.027 0.000 2.995 101 T HA -0.105 -1.018 4.350 -8.770 0.000 0.269 101 T C 1.394 176.074 174.700 -0.035 0.000 1.091 101 T CA 1.345 63.542 62.100 0.160 0.000 1.128 101 T CB -0.263 68.798 68.868 0.323 0.000 0.891 101 T HN 0.427 nan 8.240 nan 0.000 0.492 102 E N 1.487 121.415 120.200 -0.452 0.000 2.072 102 E HA -0.093 -1.006 4.350 -8.770 0.000 0.190 102 E C 2.257 178.410 176.600 -0.745 0.000 0.982 102 E CA 1.038 56.773 56.400 -1.108 0.000 0.803 102 E CB -0.339 28.837 29.700 -0.874 0.000 0.755 102 E HN 0.475 nan 8.360 nan 0.000 0.453 103 Q N -0.561 118.896 119.800 -0.572 0.000 2.451 103 Q HA 0.260 -0.663 4.340 -8.770 0.000 0.206 103 Q C 1.572 177.382 176.000 -0.318 0.000 0.947 103 Q CA 0.799 56.313 55.803 -0.482 0.000 0.937 103 Q CB -0.164 28.202 28.738 -0.619 0.000 1.025 103 Q HN 0.369 nan 8.270 nan 0.000 0.511 104 A N 1.356 124.035 122.820 -0.235 0.000 1.869 104 A HA -0.192 -1.134 4.320 -8.770 0.000 0.218 104 A C -0.507 176.997 177.584 -0.134 0.000 1.203 104 A CA 1.867 53.839 52.037 -0.108 0.000 0.638 104 A CB -1.662 17.368 19.000 0.049 0.000 0.831 104 A HN 0.404 nan 8.150 nan 0.000 0.450 105 P HA 0.038 nan 4.420 nan 0.000 0.218 105 P C 1.674 178.880 177.300 -0.157 0.000 1.152 105 P CA 1.668 64.679 63.100 -0.148 0.000 0.826 105 P CB -0.159 31.461 31.700 -0.133 0.000 0.790 106 A N -0.578 122.132 122.820 -0.183 0.000 1.933 106 A HA -0.164 -1.106 4.320 -8.770 0.000 0.218 106 A C 2.498 179.990 177.584 -0.154 0.000 1.175 106 A CA 2.172 54.109 52.037 -0.166 0.000 0.628 106 A CB -1.582 17.302 19.000 -0.193 0.000 0.814 106 A HN 0.183 nan 8.150 nan 0.000 0.444 107 S N -1.234 114.365 115.700 -0.168 0.000 2.470 107 S HA 0.003 -0.789 4.470 -8.770 0.000 0.225 107 S C 1.736 176.259 174.600 -0.128 0.000 1.006 107 S CA 1.034 59.141 58.200 -0.155 0.000 0.934 107 S CB -0.221 62.882 63.200 -0.162 0.000 0.778 107 S HN 0.277 nan 8.310 nan 0.000 0.517 108 V N 0.866 120.712 119.914 -0.113 0.000 2.446 108 V HA -0.019 -1.161 4.120 -8.770 0.000 0.244 108 V C 2.279 178.314 176.094 -0.098 0.000 1.039 108 V CA 1.161 63.411 62.300 -0.084 0.000 1.045 108 V CB -0.417 31.326 31.823 -0.133 0.000 0.681 108 V HN 0.336 nan 8.190 nan 0.000 0.459 109 V N 0.234 120.073 119.914 -0.125 0.000 2.469 109 V HA -0.298 -1.440 4.120 -8.770 0.000 0.251 109 V C 2.430 178.483 176.094 -0.067 0.000 1.064 109 V CA 2.265 64.507 62.300 -0.095 0.000 1.066 109 V CB -0.539 31.230 31.823 -0.091 0.000 0.667 109 V HN 0.663 nan 8.190 nan 0.000 0.461 110 E N 0.063 120.191 120.200 -0.121 0.000 2.051 110 E HA -0.213 -1.125 4.350 -8.770 0.000 0.192 110 E C 2.201 178.583 176.600 -0.363 0.000 0.991 110 E CA 1.373 57.640 56.400 -0.222 0.000 0.799 110 E CB -0.097 29.428 29.700 -0.291 0.000 0.748 110 E HN 0.577 nan 8.360 nan 0.000 0.449 111 L N 0.868 121.951 121.223 -0.234 0.000 2.141 111 L HA -0.120 -1.042 4.340 -8.770 0.000 0.209 111 L C 2.734 179.709 176.870 0.176 0.000 1.094 111 L CA 0.798 55.586 54.840 -0.087 0.000 0.763 111 L CB -0.316 41.786 42.059 0.073 0.000 0.908 111 L HN 0.170 nan 8.230 nan 0.000 0.437 112 E N 0.738 121.090 120.200 0.254 0.000 2.106 112 E HA -0.183 -1.096 4.350 -8.770 0.000 0.192 112 E C 1.552 178.275 176.600 0.204 0.000 0.984 112 E CA 1.074 57.668 56.400 0.325 0.000 0.806 112 E CB 0.048 29.872 29.700 0.206 0.000 0.750 112 E HN 0.460 nan 8.360 nan 0.000 0.458 113 N N -0.515 118.281 118.700 0.159 0.000 2.457 113 N HA -0.059 -0.581 4.740 -8.770 0.000 0.180 113 N C 1.331 177.024 175.510 0.304 0.000 1.050 113 N CA 0.493 53.653 53.050 0.184 0.000 0.906 113 N CB -0.273 38.306 38.487 0.153 0.000 0.968 113 N HN 0.347 nan 8.380 nan 0.000 0.445 114 Y N -0.886 119.456 120.300 0.070 0.000 2.395 114 Y HA 0.078 -0.634 4.550 -8.770 0.000 0.293 114 Y C 1.623 177.534 175.900 0.018 0.000 1.123 114 Y CA 0.344 58.468 58.100 0.040 0.000 1.227 114 Y CB 0.455 38.948 38.460 0.054 0.000 1.012 114 Y HN 0.195 nan 8.280 nan 0.000 0.552 115 G N -0.143 108.775 108.800 0.197 0.000 2.321 115 G HA2 -0.197 -1.499 3.960 -8.770 0.000 0.174 115 G HA3 -0.197 -1.499 3.960 -8.770 0.000 0.174 115 G C -0.006 174.934 174.900 0.065 0.000 1.008 115 G CA -0.504 44.657 45.100 0.102 0.000 0.739 115 G HN 0.124 nan 8.290 nan 0.000 0.502 116 M N 3.026 122.664 119.600 0.062 0.000 2.303 116 M HA 0.320 -0.462 4.480 -8.770 0.000 0.350 116 M C -1.595 174.633 176.300 -0.119 0.000 1.518 116 M CA -1.199 54.035 55.300 -0.111 0.000 1.070 116 M CB 0.670 33.091 32.600 -0.298 0.000 1.910 116 M HN -0.040 nan 8.290 nan 0.000 0.458 117 P HA 0.050 nan 4.420 nan 0.000 0.225 117 P C -0.899 176.382 177.300 -0.032 0.000 1.768 117 P CA 0.020 63.096 63.100 -0.040 0.000 0.943 117 P CB -0.877 30.802 31.700 -0.036 0.000 1.936 118 F N 0.625 120.599 119.950 0.041 0.000 2.629 118 F HA -0.054 -0.789 4.527 -8.771 0.000 0.369 118 F C 1.620 177.447 175.800 0.046 0.000 1.125 118 F CA 0.907 58.936 58.000 0.048 0.000 1.330 118 F CB -0.019 39.010 39.000 0.049 0.000 1.071 118 F HN 0.051 nan 8.300 nan 0.000 0.595 119 S N 4.191 120.050 115.700 0.264 0.000 2.579 119 S HA 0.383 -0.410 4.470 -8.770 0.000 0.275 119 S C 0.198 174.909 174.600 0.184 0.000 1.345 119 S CA -0.719 57.565 58.200 0.141 0.000 1.031 119 S CB 0.544 63.769 63.200 0.041 0.000 0.892 119 S HN 0.357 nan 8.310 nan 0.000 0.529 120 R N 0.708 121.267 120.500 0.098 0.000 2.888 120 R HA 0.622 -0.300 4.340 -8.770 0.000 0.266 120 R C -0.022 176.353 176.300 0.125 0.000 1.020 120 R CA -0.706 55.466 56.100 0.120 0.000 0.963 120 R CB 1.055 31.402 30.300 0.077 0.000 1.197 120 R HN 0.776 nan 8.270 nan 0.000 0.481 121 T N -2.441 112.197 114.554 0.139 0.000 2.819 121 T HA 0.210 -0.702 4.350 -8.770 0.000 0.271 121 T C 1.107 175.846 174.700 0.065 0.000 0.986 121 T CA -0.700 61.478 62.100 0.129 0.000 0.989 121 T CB 0.954 69.907 68.868 0.143 0.000 1.396 121 T HN 0.478 nan 8.240 nan 0.000 0.597 122 E N 0.517 120.748 120.200 0.052 0.000 2.118 122 E HA -0.168 -1.080 4.350 -8.770 0.000 0.195 122 E C 1.440 178.054 176.600 0.024 0.000 0.992 122 E CA 1.597 58.015 56.400 0.031 0.000 0.804 122 E CB -0.422 29.292 29.700 0.024 0.000 0.741 122 E HN 0.577 nan 8.360 nan 0.000 0.458 123 D N -1.624 118.790 120.400 0.024 0.000 2.347 123 D HA 0.029 -0.593 4.640 -8.770 0.000 0.215 123 D C 1.175 177.485 176.300 0.018 0.000 0.976 123 D CA 1.060 55.070 54.000 0.016 0.000 0.884 123 D CB 0.438 41.243 40.800 0.009 0.000 0.915 123 D HN 0.390 nan 8.370 nan 0.000 0.526 124 G N 1.100 109.917 108.800 0.028 0.000 2.175 124 G HA2 -0.279 -1.581 3.960 -8.770 0.000 0.244 124 G HA3 -0.279 -1.581 3.960 -8.770 0.000 0.244 124 G C 0.485 175.404 174.900 0.031 0.000 0.982 124 G CA 0.063 45.181 45.100 0.031 0.000 0.641 124 G HN 0.285 nan 8.290 nan 0.000 0.527 125 K N -0.251 120.163 120.400 0.023 0.000 2.117 125 K HA 0.586 -0.356 4.320 -8.770 0.000 0.240 125 K C 0.938 177.549 176.600 0.019 0.000 1.031 125 K CA -0.728 55.562 56.287 0.004 0.000 0.909 125 K CB 0.772 33.262 32.500 -0.018 0.000 1.097 125 K HN 0.216 nan 8.250 nan 0.000 0.492 126 I N 1.890 122.437 120.570 -0.039 0.000 2.683 126 I HA -0.116 -1.209 4.170 -8.770 0.000 0.286 126 I C 0.058 176.190 176.117 0.026 0.000 1.175 126 I CA 0.084 61.353 61.300 -0.053 0.000 1.429 126 I CB -0.041 37.761 38.000 -0.329 0.000 1.371 126 I HN 0.414 nan 8.210 nan 0.000 0.569 127 Y N 7.333 127.635 120.300 0.003 0.000 2.587 127 Y HA 0.096 -0.616 4.550 -8.770 0.000 0.344 127 Y C 0.092 176.009 175.900 0.028 0.000 1.061 127 Y CA -0.001 58.114 58.100 0.026 0.000 1.370 127 Y CB 0.125 38.622 38.460 0.060 0.000 1.163 127 Y HN 0.499 nan 8.280 nan 0.000 0.527 128 Q N 5.397 124.989 119.800 -0.347 0.000 2.256 128 Q HA 0.529 -0.393 4.340 -8.770 0.000 0.257 128 Q C -0.768 174.988 176.000 -0.407 0.000 0.936 128 Q CA -1.117 54.529 55.803 -0.261 0.000 0.903 128 Q CB 1.999 30.648 28.738 -0.148 0.000 1.263 128 Q HN 0.535 nan 8.270 nan 0.000 0.440 129 R N 0.393 120.806 120.500 -0.145 0.000 2.808 129 R HA 0.608 -0.314 4.340 -8.770 0.000 0.272 129 R C -1.460 174.920 176.300 0.133 0.000 0.995 129 R CA -0.591 55.507 56.100 -0.004 0.000 0.917 129 R CB 1.582 31.939 30.300 0.095 0.000 1.217 129 R HN 0.770 nan 8.270 nan 0.000 0.471 130 A N 2.161 125.063 122.820 0.136 0.000 2.555 130 A HA 0.388 -0.554 4.320 -8.770 0.000 0.233 130 A C -0.838 176.842 177.584 0.160 0.000 1.060 130 A CA 0.760 52.797 52.037 0.000 0.000 0.759 130 A CB -0.178 18.766 19.000 -0.094 0.000 0.995 130 A HN 0.510 nan 8.150 nan 0.000 0.506 131 F N -0.591 119.303 119.950 -0.094 0.000 2.668 131 F HA 0.525 -0.211 4.527 -8.772 0.000 0.309 131 F C 0.762 176.498 175.800 -0.107 0.000 1.117 131 F CA -0.012 57.947 58.000 -0.069 0.000 0.951 131 F CB 1.662 40.638 39.000 -0.039 0.000 1.323 131 F HN 0.812 nan 8.300 nan 0.000 0.451 132 G N 1.115 109.837 108.800 -0.131 0.000 2.299 132 G HA2 0.413 -0.890 3.960 -8.770 0.000 0.256 132 G HA3 0.413 -0.890 3.960 -8.770 0.000 0.256 132 G C 0.759 175.590 174.900 -0.116 0.000 1.259 132 G CA 0.630 45.630 45.100 -0.166 0.000 0.943 132 G HN 1.621 nan 8.290 nan 0.000 0.479 133 G N 1.568 110.201 108.800 -0.280 0.000 2.218 133 G HA2 -0.222 -1.524 3.960 -8.770 0.000 0.216 133 G HA3 -0.222 -1.524 3.960 -8.770 0.000 0.216 133 G C 0.418 175.232 174.900 -0.143 0.000 0.994 133 G CA -0.052 44.838 45.100 -0.350 0.000 0.637 133 G HN 0.765 nan 8.290 nan 0.000 0.505 134 Q N 1.013 120.784 119.800 -0.050 0.000 2.327 134 Q HA 0.577 -0.345 4.340 -8.770 0.000 0.254 134 Q C 0.275 176.305 176.000 0.050 0.000 0.952 134 Q CA 0.784 56.611 55.803 0.040 0.000 0.884 134 Q CB 1.676 30.433 28.738 0.032 0.000 1.224 134 Q HN 1.057 nan 8.270 nan 0.000 0.422 135 S N 1.169 116.931 115.700 0.102 0.000 2.550 135 S HA 0.621 -0.171 4.470 -8.770 0.000 0.270 135 S C -0.756 173.838 174.600 -0.010 0.000 1.145 135 S CA -0.922 57.320 58.200 0.071 0.000 0.852 135 S CB 0.881 64.181 63.200 0.168 0.000 1.119 135 S HN 0.427 nan 8.310 nan 0.000 0.465 136 L N 2.161 123.299 121.223 -0.142 0.000 2.399 136 L HA 0.560 -0.362 4.340 -8.770 0.000 0.265 136 L C 0.376 176.762 176.870 -0.805 0.000 1.089 136 L CA -0.882 53.702 54.840 -0.426 0.000 0.802 136 L CB 0.543 42.403 42.059 -0.331 0.000 1.180 136 L HN 0.951 nan 8.230 nan 0.000 0.454 137 K N 2.949 122.211 120.400 -1.896 0.000 3.257 137 K HA -0.242 -1.184 4.320 -8.770 0.000 0.270 137 K C -0.626 175.557 176.600 -0.694 0.000 0.984 137 K CA 0.364 55.704 56.287 -1.579 0.000 0.739 137 K CB -1.445 30.593 32.500 -0.769 0.000 1.351 137 K HN 0.516 nan 8.250 nan 0.000 0.463 138 F N -0.797 118.738 119.950 -0.693 0.000 3.027 138 F HA -0.267 -1.003 4.527 -8.772 0.000 0.276 138 F C 1.238 176.750 175.800 -0.480 0.000 0.967 138 F CA 1.379 59.055 58.000 -0.540 0.000 0.929 138 F CB -1.921 36.748 39.000 -0.551 0.000 0.873 138 F HN 0.630 nan 8.300 nan 0.000 0.787 139 G N -0.259 108.516 108.800 -0.042 0.000 2.221 139 G HA2 -0.331 -1.633 3.960 -8.770 0.000 0.265 139 G HA3 -0.331 -1.633 3.960 -8.770 0.000 0.265 139 G C 0.975 175.866 174.900 -0.014 0.000 1.041 139 G CA 0.559 45.717 45.100 0.096 0.000 0.807 139 G HN 0.471 nan 8.290 nan 0.000 0.502 140 K N -1.242 119.098 120.400 -0.099 0.000 2.504 140 K HA 0.181 -0.761 4.320 -8.770 0.000 0.203 140 K C 2.463 178.998 176.600 -0.107 0.000 1.350 140 K CA 0.768 57.000 56.287 -0.090 0.000 0.953 140 K CB -0.218 32.224 32.500 -0.096 0.000 1.243 140 K HN 0.310 nan 8.250 nan 0.000 0.534 141 G N 1.169 109.860 108.800 -0.181 0.000 2.464 141 G HA2 0.112 -1.190 3.960 -8.770 0.000 0.214 141 G HA3 0.112 -1.190 3.960 -8.770 0.000 0.214 141 G C 0.799 175.642 174.900 -0.094 0.000 1.218 141 G CA 1.385 46.380 45.100 -0.175 0.000 0.794 141 G HN 0.484 nan 8.290 nan 0.000 0.542 142 G N -1.342 107.411 108.800 -0.079 0.000 2.593 142 G HA2 0.353 -0.949 3.960 -8.770 0.000 0.103 142 G HA3 0.353 -0.949 3.960 -8.770 0.000 0.103 142 G C -1.518 173.368 174.900 -0.023 0.000 1.103 142 G CA 0.102 45.184 45.100 -0.029 0.000 1.109 142 G HN 0.459 nan 8.290 nan 0.000 0.516 143 Q N 1.003 120.781 119.800 -0.038 0.000 2.314 143 Q HA 0.740 -0.182 4.340 -8.770 0.000 0.259 143 Q C -0.065 175.820 176.000 -0.192 0.000 0.951 143 Q CA 0.157 55.898 55.803 -0.105 0.000 0.909 143 Q CB 1.151 29.808 28.738 -0.135 0.000 1.236 143 Q HN 1.044 nan 8.270 nan 0.000 0.444 144 A N 4.202 126.929 122.820 -0.155 0.000 2.331 144 A HA 0.463 -0.479 4.320 -8.770 0.000 0.283 144 A C -1.100 176.339 177.584 -0.242 0.000 1.142 144 A CA -0.420 51.556 52.037 -0.100 0.000 0.812 144 A CB 0.137 19.149 19.000 0.020 0.000 1.074 144 A HN 0.900 nan 8.150 nan 0.000 0.497 145 H N 1.264 120.332 119.070 -0.004 0.000 2.690 145 H HA 0.474 -0.231 4.556 -8.769 0.000 0.280 145 H C 0.657 175.945 175.328 -0.067 0.000 1.138 145 H CA -0.220 55.803 56.048 -0.042 0.000 1.241 145 H CB 0.455 30.168 29.762 -0.082 0.000 1.394 145 H HN 0.690 nan 8.280 nan 0.000 0.489 146 R N 0.675 121.171 120.500 -0.005 0.000 2.563 146 R HA 0.269 -0.653 4.340 -8.770 0.000 0.443 146 R C -0.845 175.378 176.300 -0.128 0.000 0.956 146 R CA -0.314 55.738 56.100 -0.081 0.000 1.141 146 R CB -0.439 29.788 30.300 -0.123 0.000 1.553 146 R HN 0.378 nan 8.270 nan 0.000 0.577 147 C N 2.635 121.884 119.300 -0.085 0.000 2.176 147 C HA 0.530 -0.272 4.460 -8.770 0.000 0.329 147 C C 0.545 175.508 174.990 -0.045 0.000 1.113 147 C CA -0.582 58.368 59.018 -0.114 0.000 1.562 147 C CB -1.008 26.646 27.740 -0.144 0.000 2.040 147 C HN 0.728 nan 8.230 nan 0.000 0.460 148 C N 5.389 124.664 119.300 -0.042 0.000 2.629 148 C HA 0.515 -0.287 4.460 -8.770 0.000 0.410 148 C C 0.873 176.011 174.990 0.247 0.000 1.339 148 C CA -0.464 58.579 59.018 0.043 0.000 1.810 148 C CB -2.151 25.515 27.740 -0.123 0.000 2.549 148 C HN 0.993 nan 8.230 nan 0.000 0.589 149 C N 1.822 121.340 119.300 0.364 0.000 2.888 149 C HA 0.758 -0.044 4.460 -8.770 0.000 0.308 149 C C -0.357 174.818 174.990 0.307 0.000 1.213 149 C CA -0.641 58.566 59.018 0.315 0.000 1.461 149 C CB 0.469 28.363 27.740 0.257 0.000 1.934 149 C HN 0.608 nan 8.230 nan 0.000 0.474 150 V N 2.974 122.962 119.914 0.122 0.000 2.615 150 V HA 0.551 -0.592 4.120 -8.770 0.000 0.308 150 V C 1.195 177.309 176.094 0.033 0.000 1.257 150 V CA 0.754 63.071 62.300 0.028 0.000 1.454 150 V CB -0.453 31.299 31.823 -0.120 0.000 1.537 150 V HN 2.048 nan 8.190 nan 0.000 0.566 151 A N 2.036 124.891 122.820 0.059 0.000 2.091 151 A HA -0.245 -1.188 4.320 -8.770 0.000 0.270 151 A C 1.183 178.784 177.584 0.027 0.000 1.368 151 A CA 1.203 53.256 52.037 0.027 0.000 0.745 151 A CB -1.779 17.208 19.000 -0.021 0.000 1.173 151 A HN 1.185 nan 8.150 nan 0.000 0.322 152 D N -1.781 118.654 120.400 0.059 0.000 2.614 152 D HA -0.245 -0.867 4.640 -8.770 0.000 0.182 152 D C 0.637 176.954 176.300 0.029 0.000 1.067 152 D CA 2.434 56.465 54.000 0.051 0.000 1.053 152 D CB -0.620 40.200 40.800 0.032 0.000 1.117 152 D HN 0.919 nan 8.370 nan 0.000 0.438 153 R N -0.429 120.080 120.500 0.015 0.000 3.335 153 R HA 0.287 -0.635 4.340 -8.770 0.000 0.337 153 R C 1.522 177.853 176.300 0.051 0.000 1.283 153 R CA 0.616 56.725 56.100 0.014 0.000 1.246 153 R CB 0.327 30.595 30.300 -0.053 0.000 1.464 153 R HN 0.368 nan 8.270 nan 0.000 0.607 154 T N -3.524 111.054 114.554 0.040 0.000 2.732 154 T HA -0.073 -0.986 4.350 -8.770 0.000 0.261 154 T C 2.038 176.743 174.700 0.009 0.000 1.040 154 T CA 1.361 63.468 62.100 0.012 0.000 1.145 154 T CB -0.128 68.762 68.868 0.037 0.000 0.866 154 T HN 0.354 nan 8.240 nan 0.000 0.427 155 G N 0.644 109.466 108.800 0.036 0.000 2.421 155 G HA2 -0.199 -1.501 3.960 -8.770 0.000 0.217 155 G HA3 -0.199 -1.501 3.960 -8.770 0.000 0.217 155 G C 1.533 176.473 174.900 0.067 0.000 1.143 155 G CA 0.784 45.905 45.100 0.034 0.000 0.784 155 G HN 0.725 nan 8.290 nan 0.000 0.541 156 H N 2.113 121.192 119.070 0.014 0.000 2.251 156 H HA -0.184 -0.890 4.556 -8.771 0.000 0.294 156 H C 2.756 178.161 175.328 0.129 0.000 1.078 156 H CA 2.359 58.453 56.048 0.076 0.000 1.246 156 H CB -0.413 29.365 29.762 0.026 0.000 1.358 156 H HN 0.428 nan 8.280 nan 0.000 0.488 157 S N 0.698 116.426 115.700 0.047 0.000 2.447 157 S HA -0.114 -0.906 4.470 -8.770 0.000 0.233 157 S C 2.327 176.899 174.600 -0.047 0.000 1.006 157 S CA 0.977 59.150 58.200 -0.046 0.000 0.957 157 S CB -0.617 62.560 63.200 -0.040 0.000 0.773 157 S HN 0.393 nan 8.310 nan 0.000 0.507 158 L N 0.994 122.193 121.223 -0.041 0.000 1.994 158 L HA 0.109 -0.813 4.340 -8.770 0.000 0.208 158 L C 2.291 179.182 176.870 0.036 0.000 1.071 158 L CA 1.647 56.477 54.840 -0.017 0.000 0.745 158 L CB -0.881 41.177 42.059 -0.001 0.000 0.892 158 L HN 0.364 nan 8.230 nan 0.000 0.431 159 L N -0.767 120.469 121.223 0.022 0.000 2.083 159 L HA -0.222 -1.144 4.340 -8.770 0.000 0.209 159 L C 2.591 179.449 176.870 -0.020 0.000 1.083 159 L CA 1.813 56.651 54.840 -0.004 0.000 0.752 159 L CB -0.956 41.065 42.059 -0.064 0.000 0.899 159 L HN 0.437 nan 8.230 nan 0.000 0.433 160 H N -1.181 117.838 119.070 -0.085 0.000 2.387 160 H HA -0.097 -0.803 4.556 -8.770 0.000 0.299 160 H C 2.029 177.373 175.328 0.026 0.000 1.090 160 H CA 2.037 58.061 56.048 -0.040 0.000 1.332 160 H CB -0.141 29.527 29.762 -0.157 0.000 1.386 160 H HN 0.532 nan 8.280 nan 0.000 0.516 161 T N -1.012 113.615 114.554 0.121 0.000 2.942 161 T HA -0.014 -0.926 4.350 -8.770 0.000 0.265 161 T C 2.306 177.059 174.700 0.089 0.000 1.062 161 T CA 0.298 62.450 62.100 0.086 0.000 1.139 161 T CB -0.505 68.413 68.868 0.083 0.000 0.883 161 T HN 0.129 nan 8.240 nan 0.000 0.468 162 L N -0.707 120.597 121.223 0.135 0.000 2.056 162 L HA 0.033 -0.889 4.340 -8.770 0.000 0.207 162 L C 2.606 179.512 176.870 0.060 0.000 1.078 162 L CA 1.474 56.421 54.840 0.179 0.000 0.749 162 L CB -0.528 41.684 42.059 0.254 0.000 0.901 162 L HN 0.237 nan 8.230 nan 0.000 0.433 163 Y N 0.535 120.786 120.300 -0.082 0.000 2.220 163 Y HA -0.106 -0.818 4.550 -8.770 0.000 0.291 163 Y C 2.261 178.060 175.900 -0.169 0.000 1.129 163 Y CA 1.213 59.214 58.100 -0.164 0.000 1.161 163 Y CB -0.675 37.640 38.460 -0.241 0.000 0.997 163 Y HN 0.067 nan 8.280 nan 0.000 0.522 164 G N 0.703 109.416 108.800 -0.145 0.000 2.491 164 G HA2 -0.297 -1.599 3.960 -8.770 0.000 0.218 164 G HA3 -0.297 -1.599 3.960 -8.770 0.000 0.218 164 G C 1.841 176.541 174.900 -0.335 0.000 1.180 164 G CA 0.925 45.895 45.100 -0.216 0.000 0.774 164 G HN 0.218 nan 8.290 nan 0.000 0.562 165 R N 0.854 121.128 120.500 -0.377 0.000 2.152 165 R HA -0.057 -0.980 4.340 -8.770 0.000 0.232 165 R C 3.038 178.975 176.300 -0.604 0.000 1.117 165 R CA 1.390 57.147 56.100 -0.571 0.000 0.981 165 R CB -0.823 28.967 30.300 -0.850 0.000 0.870 165 R HN 0.557 nan 8.270 nan 0.000 0.451 166 S N 0.002 115.373 115.700 -0.548 0.000 2.474 166 S HA -0.042 -0.834 4.470 -8.770 0.000 0.235 166 S C 1.609 176.144 174.600 -0.107 0.000 0.997 166 S CA 0.571 58.618 58.200 -0.254 0.000 0.949 166 S CB -0.037 63.145 63.200 -0.030 0.000 0.766 166 S HN 0.079 nan 8.310 nan 0.000 0.517 167 L N 1.093 122.131 121.223 -0.308 0.000 2.591 167 L HA 0.349 -0.573 4.340 -8.770 0.000 0.228 167 L C 2.407 179.145 176.870 -0.220 0.000 1.133 167 L CA 0.653 55.353 54.840 -0.233 0.000 0.880 167 L CB -1.199 40.669 42.059 -0.318 0.000 1.033 167 L HN 0.377 nan 8.230 nan 0.000 0.450 168 R N -1.114 119.175 120.500 -0.351 0.000 2.148 168 R HA -0.051 -0.973 4.340 -8.770 0.000 0.223 168 R C -0.157 175.810 176.300 -0.555 0.000 1.088 168 R CA 0.741 56.515 56.100 -0.544 0.000 0.985 168 R CB 0.156 29.934 30.300 -0.870 0.000 0.880 168 R HN 0.189 nan 8.270 nan 0.000 0.451 169 Y N 0.360 120.634 120.300 -0.043 0.000 2.487 169 Y HA 0.114 -0.597 4.550 -8.770 0.000 0.337 169 Y C -0.030 175.883 175.900 0.020 0.000 1.076 169 Y CA -1.877 56.230 58.100 0.012 0.000 1.115 169 Y CB 0.803 39.305 38.460 0.070 0.000 1.235 169 Y HN 0.028 nan 8.280 nan 0.000 0.468 170 D N 0.641 121.145 120.400 0.173 0.000 2.470 170 D HA 0.096 -0.526 4.640 -8.770 0.000 0.226 170 D C -0.765 175.573 176.300 0.063 0.000 1.196 170 D CA -0.306 53.751 54.000 0.094 0.000 0.979 170 D CB -0.098 40.743 40.800 0.068 0.000 1.059 170 D HN 0.363 nan 8.370 nan 0.000 0.515 171 T N 0.830 115.383 114.554 -0.003 0.000 2.779 171 T HA 0.283 -0.629 4.350 -8.770 0.000 0.280 171 T C 0.082 174.557 174.700 -0.375 0.000 0.987 171 T CA -0.743 61.219 62.100 -0.230 0.000 0.966 171 T CB 1.313 69.919 68.868 -0.437 0.000 0.933 171 T HN 0.125 nan 8.240 nan 0.000 0.442 172 S N 3.150 118.652 115.700 -0.330 0.000 2.423 172 S HA 0.212 -0.581 4.470 -8.770 0.000 0.302 172 S C -0.547 173.714 174.600 -0.565 0.000 1.143 172 S CA -0.478 57.502 58.200 -0.367 0.000 1.080 172 S CB -0.507 62.569 63.200 -0.206 0.000 1.081 172 S HN 0.509 nan 8.310 nan 0.000 0.522 173 Y N 2.050 122.184 120.300 -0.277 0.000 2.452 173 Y HA 0.265 -0.448 4.550 -8.771 0.000 0.348 173 Y C 0.091 175.774 175.900 -0.360 0.000 0.985 173 Y CA -0.808 57.160 58.100 -0.220 0.000 1.214 173 Y CB 0.056 38.460 38.460 -0.092 0.000 1.136 173 Y HN 0.521 nan 8.280 nan 0.000 0.523 174 F N 3.383 123.188 119.950 -0.242 0.000 2.619 174 F HA 0.191 -0.544 4.527 -8.770 0.000 0.350 174 F C 0.080 175.796 175.800 -0.141 0.000 1.259 174 F CA -0.627 57.048 58.000 -0.542 0.000 1.204 174 F CB -0.299 38.024 39.000 -1.128 0.000 1.556 174 F HN 0.151 nan 8.300 nan 0.000 0.650 175 V N 2.458 122.489 119.914 0.196 0.000 2.572 175 V HA 0.014 -1.128 4.120 -8.770 0.000 0.291 175 V C 0.484 176.836 176.094 0.429 0.000 1.039 175 V CA -0.873 61.599 62.300 0.286 0.000 1.055 175 V CB 0.367 32.359 31.823 0.281 0.000 0.969 175 V HN 0.719 nan 8.190 nan 0.000 0.482 176 E N 2.668 123.064 120.200 0.326 0.000 2.302 176 E HA -0.223 -1.136 4.350 -8.770 0.000 0.186 176 E C -1.363 175.362 176.600 0.207 0.000 1.444 176 E CA 0.416 56.953 56.400 0.228 0.000 0.671 176 E CB -0.891 28.924 29.700 0.191 0.000 1.122 176 E HN 0.650 nan 8.360 nan 0.000 0.366 177 Y N 0.405 120.736 120.300 0.051 0.000 2.329 177 Y HA 0.348 -0.365 4.550 -8.771 0.000 0.328 177 Y C -0.280 175.641 175.900 0.035 0.000 0.992 177 Y CA -1.024 57.101 58.100 0.043 0.000 1.151 177 Y CB 1.051 39.532 38.460 0.034 0.000 1.150 177 Y HN 0.267 nan 8.280 nan 0.000 0.450 178 F N 3.953 123.899 119.950 -0.007 0.000 2.404 178 F HA 0.633 -0.102 4.527 -8.771 0.000 0.359 178 F C 0.487 176.284 175.800 -0.005 0.000 1.134 178 F CA -0.725 57.260 58.000 -0.025 0.000 1.160 178 F CB 0.195 39.145 39.000 -0.083 0.000 1.186 178 F HN 0.602 nan 8.300 nan 0.000 0.526 179 A N 7.089 129.757 122.820 -0.252 0.000 2.450 179 A HA 0.359 -0.583 4.320 -8.770 0.000 0.255 179 A C 0.408 177.911 177.584 -0.135 0.000 1.096 179 A CA -0.303 51.639 52.037 -0.157 0.000 0.778 179 A CB 0.296 19.182 19.000 -0.191 0.000 1.031 179 A HN 1.024 nan 8.150 nan 0.000 0.494 180 L N 1.251 122.498 121.223 0.041 0.000 2.262 180 L HA 0.280 -0.642 4.340 -8.770 0.000 0.197 180 L C 0.453 177.345 176.870 0.037 0.000 1.073 180 L CA 0.481 55.389 54.840 0.114 0.000 0.800 180 L CB -0.082 42.040 42.059 0.106 0.000 0.987 180 L HN 0.581 nan 8.230 nan 0.000 0.470 181 D N -1.297 119.106 120.400 0.006 0.000 2.626 181 D HA 0.482 -0.140 4.640 -8.770 0.000 0.278 181 D C -1.301 174.988 176.300 -0.019 0.000 1.211 181 D CA -0.478 53.517 54.000 -0.007 0.000 0.903 181 D CB 2.788 43.589 40.800 0.002 0.000 1.408 181 D HN -0.230 nan 8.370 nan 0.000 0.454 182 L N 0.722 121.933 121.223 -0.019 0.000 2.334 182 L HA 0.355 -0.567 4.340 -8.770 0.000 0.277 182 L C 0.099 176.963 176.870 -0.010 0.000 1.075 182 L CA -0.410 54.419 54.840 -0.019 0.000 0.804 182 L CB 0.661 42.707 42.059 -0.022 0.000 1.174 182 L HN 0.176 nan 8.230 nan 0.000 0.438 183 L N 3.852 125.071 121.223 -0.006 0.000 2.407 183 L HA 0.246 -0.677 4.340 -8.770 0.000 0.282 183 L C -0.171 176.699 176.870 0.000 0.000 1.110 183 L CA 0.380 55.221 54.840 0.001 0.000 0.863 183 L CB 0.322 42.386 42.059 0.008 0.000 1.207 183 L HN 0.577 nan 8.230 nan 0.000 0.454 184 M N 4.084 123.684 119.600 -0.001 0.000 2.326 184 M HA 0.383 -0.399 4.480 -8.770 0.000 0.306 184 M C -0.914 175.386 176.300 -0.000 0.000 1.054 184 M CA -0.142 55.157 55.300 -0.002 0.000 0.922 184 M CB 1.950 34.547 32.600 -0.004 0.000 1.632 184 M HN 0.375 nan 8.290 nan 0.000 0.436 185 E N 3.365 123.564 120.200 -0.001 0.000 2.302 185 E HA 0.322 -0.590 4.350 -8.770 0.000 0.263 185 E C -0.921 175.677 176.600 -0.003 0.000 0.897 185 E CA -0.223 56.176 56.400 -0.000 0.000 0.809 185 E CB 0.621 30.323 29.700 0.003 0.000 1.270 185 E HN 0.816 nan 8.360 nan 0.000 0.410 186 N N 3.180 121.878 118.700 -0.004 0.000 2.738 186 N HA -0.230 -0.752 4.740 -8.770 0.000 0.249 186 N C 0.603 176.108 175.510 -0.008 0.000 1.047 186 N CA 1.406 54.453 53.050 -0.006 0.000 0.707 186 N CB -1.276 37.208 38.487 -0.005 0.000 0.937 186 N HN 1.004 nan 8.380 nan 0.000 0.545 187 G N -1.107 107.688 108.800 -0.008 0.000 2.189 187 G HA2 -0.331 -1.633 3.960 -8.770 0.000 0.267 187 G HA3 -0.331 -1.633 3.960 -8.770 0.000 0.267 187 G C -0.197 174.693 174.900 -0.017 0.000 0.975 187 G CA 0.790 45.883 45.100 -0.012 0.000 0.644 187 G HN 0.521 nan 8.290 nan 0.000 0.537 188 E N -0.264 119.928 120.200 -0.013 0.000 2.175 188 E HA 0.435 -0.477 4.350 -8.770 0.000 0.278 188 E C -0.049 176.545 176.600 -0.009 0.000 0.969 188 E CA -0.554 55.839 56.400 -0.013 0.000 0.796 188 E CB 1.984 31.681 29.700 -0.006 0.000 1.104 188 E HN 0.222 nan 8.360 nan 0.000 0.395 189 C N 3.546 122.839 119.300 -0.012 0.000 2.435 189 C HA 0.322 -0.480 4.460 -8.770 0.000 0.375 189 C C 1.118 176.114 174.990 0.009 0.000 1.281 189 C CA -0.316 58.699 59.018 -0.005 0.000 1.963 189 C CB -0.504 27.228 27.740 -0.013 0.000 2.490 189 C HN 0.620 nan 8.230 nan 0.000 0.557 190 R N 3.307 123.814 120.500 0.012 0.000 2.509 190 R HA 0.369 -0.553 4.340 -8.770 0.000 0.297 190 R C 0.754 177.071 176.300 0.029 0.000 0.951 190 R CA 0.726 56.840 56.100 0.024 0.000 1.103 190 R CB 0.226 30.539 30.300 0.022 0.000 1.283 190 R HN 1.101 nan 8.270 nan 0.000 0.534 191 G N 0.264 109.074 108.800 0.016 0.000 2.278 191 G HA2 0.026 -1.276 3.960 -8.770 0.000 0.265 191 G HA3 0.026 -1.276 3.960 -8.770 0.000 0.265 191 G C -1.417 173.476 174.900 -0.012 0.000 1.329 191 G CA -0.327 44.778 45.100 0.007 0.000 1.017 191 G HN 0.170 nan 8.290 nan 0.000 0.472 192 V N -2.049 117.849 119.914 -0.026 0.000 3.040 192 V HA 0.870 -0.272 4.120 -8.770 0.000 0.312 192 V C -0.244 175.836 176.094 -0.023 0.000 1.115 192 V CA -0.973 61.305 62.300 -0.037 0.000 0.998 192 V CB 1.970 33.752 31.823 -0.068 0.000 1.042 192 V HN 1.459 nan 8.190 nan 0.000 0.433 193 I N 2.846 123.410 120.570 -0.011 0.000 2.359 193 I HA 0.824 -0.268 4.170 -8.770 0.000 0.284 193 I C 0.189 176.319 176.117 0.023 0.000 1.018 193 I CA -0.335 60.972 61.300 0.011 0.000 1.173 193 I CB 0.625 38.630 38.000 0.008 0.000 1.326 193 I HN 1.109 nan 8.210 nan 0.000 0.462 194 A N 7.080 129.933 122.820 0.054 0.000 2.355 194 A HA 0.712 -0.230 4.320 -8.770 0.000 0.324 194 A C -1.386 176.296 177.584 0.163 0.000 1.117 194 A CA -0.664 51.432 52.037 0.098 0.000 0.785 194 A CB 1.553 20.601 19.000 0.080 0.000 1.254 194 A HN 0.727 nan 8.150 nan 0.000 0.453 195 L N 2.227 123.533 121.223 0.138 0.000 2.282 195 L HA 0.551 -0.371 4.340 -8.770 0.000 0.288 195 L C -0.087 176.731 176.870 -0.086 0.000 1.033 195 L CA -0.367 54.507 54.840 0.058 0.000 0.807 195 L CB 1.009 43.072 42.059 0.006 0.000 1.209 195 L HN 0.766 nan 8.230 nan 0.000 0.423 196 C N 5.786 124.960 119.300 -0.209 0.000 2.627 196 C HA 0.202 -0.600 4.460 -8.770 0.000 0.404 196 C C 1.786 176.529 174.990 -0.412 0.000 1.340 196 C CA -0.310 58.276 59.018 -0.719 0.000 1.758 196 C CB -0.852 26.606 27.740 -0.470 0.000 2.501 196 C HN 0.982 nan 8.230 nan 0.000 0.588 197 I N 3.594 123.873 120.570 -0.485 0.000 2.928 197 I HA -0.030 -1.122 4.170 -8.770 0.000 0.266 197 I C 2.221 178.059 176.117 -0.464 0.000 1.234 197 I CA 1.298 62.280 61.300 -0.529 0.000 1.483 197 I CB -0.267 37.272 38.000 -0.769 0.000 1.097 197 I HN 0.881 nan 8.210 nan 0.000 0.455 198 E N -0.047 120.033 120.200 -0.200 0.000 2.170 198 E HA -0.174 -1.086 4.350 -8.770 0.000 0.191 198 E C 1.266 177.940 176.600 0.123 0.000 0.981 198 E CA 1.360 57.819 56.400 0.097 0.000 0.830 198 E CB 0.197 29.991 29.700 0.157 0.000 0.775 198 E HN 0.608 nan 8.360 nan 0.000 0.470 199 D N -2.753 117.679 120.400 0.053 0.000 2.449 199 D HA 0.077 -0.545 4.640 -8.770 0.000 0.255 199 D C 1.189 177.526 176.300 0.061 0.000 1.121 199 D CA 0.877 54.926 54.000 0.081 0.000 0.830 199 D CB 0.784 41.648 40.800 0.106 0.000 1.280 199 D HN 0.255 nan 8.370 nan 0.000 0.522 200 G N 1.143 109.957 108.800 0.024 0.000 2.176 200 G HA2 -0.247 -1.549 3.960 -8.770 0.000 0.232 200 G HA3 -0.247 -1.549 3.960 -8.770 0.000 0.232 200 G C 0.294 175.252 174.900 0.096 0.000 0.986 200 G CA 0.348 45.474 45.100 0.043 0.000 0.643 200 G HN 0.820 nan 8.290 nan 0.000 0.522 201 S N -0.109 115.646 115.700 0.092 0.000 2.565 201 S HA 0.698 -0.094 4.470 -8.770 0.000 0.276 201 S C 0.304 174.920 174.600 0.027 0.000 1.326 201 S CA -0.562 57.682 58.200 0.073 0.000 1.045 201 S CB 1.765 64.994 63.200 0.048 0.000 0.918 201 S HN 0.514 nan 8.310 nan 0.000 0.505 202 I N 3.335 123.880 120.570 -0.041 0.000 2.353 202 I HA 0.281 -0.811 4.170 -8.770 0.000 0.293 202 I C 0.236 176.273 176.117 -0.134 0.000 0.992 202 I CA -0.443 60.834 61.300 -0.037 0.000 1.268 202 I CB 0.735 38.693 38.000 -0.071 0.000 1.387 202 I HN 0.625 nan 8.210 nan 0.000 0.478 203 H N 6.555 125.695 119.070 0.117 0.000 2.539 203 H HA 0.390 -0.316 4.556 -8.770 0.000 0.332 203 H C -0.564 174.809 175.328 0.075 0.000 1.031 203 H CA -0.783 55.355 56.048 0.151 0.000 1.206 203 H CB 1.464 31.364 29.762 0.230 0.000 1.446 203 H HN 0.398 nan 8.280 nan 0.000 0.496 204 R N 3.698 124.292 120.500 0.158 0.000 2.565 204 R HA 0.271 -0.651 4.340 -8.770 0.000 0.286 204 R C -0.052 176.325 176.300 0.127 0.000 1.256 204 R CA -0.341 55.818 56.100 0.097 0.000 1.238 204 R CB -0.037 30.297 30.300 0.057 0.000 1.153 204 R HN 0.452 nan 8.270 nan 0.000 0.553 205 I N 4.589 125.210 120.570 0.085 0.000 2.308 205 I HA 0.126 -0.966 4.170 -8.770 0.000 0.293 205 I C 0.534 176.704 176.117 0.089 0.000 1.078 205 I CA -0.202 61.152 61.300 0.090 0.000 1.292 205 I CB 0.241 38.152 38.000 -0.147 0.000 1.423 205 I HN 0.313 nan 8.210 nan 0.000 0.493 206 R N 5.845 126.434 120.500 0.148 0.000 2.346 206 R HA 0.917 -0.005 4.340 -8.770 0.000 0.311 206 R C -0.767 175.624 176.300 0.152 0.000 0.983 206 R CA -0.741 55.427 56.100 0.113 0.000 0.880 206 R CB 1.616 31.968 30.300 0.087 0.000 1.100 206 R HN 0.592 nan 8.270 nan 0.000 0.453 207 A N 1.963 124.850 122.820 0.111 0.000 2.609 207 A HA 0.375 -0.567 4.320 -8.770 0.000 0.291 207 A C 0.142 177.778 177.584 0.086 0.000 1.096 207 A CA -0.958 51.153 52.037 0.124 0.000 0.684 207 A CB 1.806 20.884 19.000 0.130 0.000 1.282 207 A HN 0.881 nan 8.150 nan 0.000 0.412 208 R N -0.106 120.451 120.500 0.094 0.000 2.148 208 R HA 0.008 -0.914 4.340 -8.770 0.000 0.223 208 R C -0.317 176.027 176.300 0.073 0.000 1.088 208 R CA 1.086 57.234 56.100 0.080 0.000 0.985 208 R CB 0.041 30.399 30.300 0.098 0.000 0.880 208 R HN 0.735 nan 8.270 nan 0.000 0.451 209 N N -0.534 118.202 118.700 0.061 0.000 2.242 209 N HA 0.211 -0.311 4.740 -8.770 0.000 0.292 209 N C -1.567 173.965 175.510 0.037 0.000 1.125 209 N CA -0.351 52.739 53.050 0.067 0.000 0.783 209 N CB 2.559 41.051 38.487 0.010 0.000 1.558 209 N HN -0.143 nan 8.380 nan 0.000 0.472 210 T N 0.456 115.060 114.554 0.083 0.000 2.879 210 T HA 0.370 -0.542 4.350 -8.770 0.000 0.290 210 T C -0.393 174.350 174.700 0.072 0.000 0.993 210 T CA -0.468 61.653 62.100 0.035 0.000 0.975 210 T CB 1.663 70.539 68.868 0.013 0.000 0.981 210 T HN 0.083 nan 8.240 nan 0.000 0.439 211 V N 3.720 123.637 119.914 0.004 0.000 2.384 211 V HA 0.447 -0.695 4.120 -8.770 0.000 0.287 211 V C -0.121 175.966 176.094 -0.010 0.000 1.020 211 V CA -0.783 61.525 62.300 0.013 0.000 0.850 211 V CB 1.680 33.467 31.823 -0.061 0.000 0.987 211 V HN 0.735 nan 8.190 nan 0.000 0.436 212 V N 4.334 124.250 119.914 0.004 0.000 2.350 212 V HA 0.708 -0.434 4.120 -8.770 0.000 0.276 212 V C 0.545 176.631 176.094 -0.013 0.000 1.028 212 V CA -0.093 62.196 62.300 -0.019 0.000 0.860 212 V CB 1.286 33.093 31.823 -0.027 0.000 0.990 212 V HN 0.989 nan 8.190 nan 0.000 0.453 213 A N 2.846 125.653 122.820 -0.020 0.000 3.410 213 A HA 0.447 -0.495 4.320 -8.770 0.000 0.276 213 A C 0.946 178.519 177.584 -0.018 0.000 0.995 213 A CA 0.281 52.314 52.037 -0.007 0.000 0.934 213 A CB 0.380 19.385 19.000 0.008 0.000 1.191 213 A HN 0.824 nan 8.150 nan 0.000 0.511 214 T N -2.643 111.890 114.554 -0.034 0.000 3.107 214 T HA 0.459 -0.453 4.350 -8.770 0.000 0.249 214 T C 1.199 175.875 174.700 -0.041 0.000 1.096 214 T CA 1.036 63.105 62.100 -0.051 0.000 1.012 214 T CB -0.218 68.603 68.868 -0.078 0.000 0.977 214 T HN 2.185 nan 8.240 nan 0.000 0.527 215 G N 0.131 108.912 108.800 -0.032 0.000 2.741 215 G HA2 0.228 -1.074 3.960 -8.770 0.000 0.222 215 G HA3 0.228 -1.074 3.960 -8.770 0.000 0.222 215 G C 0.104 174.955 174.900 -0.082 0.000 1.364 215 G CA -0.549 44.518 45.100 -0.055 0.000 0.866 215 G HN 0.922 nan 8.290 nan 0.000 0.555 216 G N -1.740 106.959 108.800 -0.170 0.000 2.543 216 G HA2 0.684 -0.618 3.960 -8.770 0.000 0.290 216 G HA3 0.684 -0.618 3.960 -8.770 0.000 0.290 216 G C 0.127 174.949 174.900 -0.131 0.000 1.310 216 G CA 0.228 45.185 45.100 -0.238 0.000 1.025 216 G HN 1.764 nan 8.290 nan 0.000 0.502 217 Y N -1.820 118.400 120.300 -0.134 0.000 2.685 217 Y HA 0.514 -0.200 4.550 -8.774 0.000 0.339 217 Y C 1.502 177.371 175.900 -0.052 0.000 0.961 217 Y CA -0.813 57.240 58.100 -0.078 0.000 1.330 217 Y CB 0.180 38.610 38.460 -0.050 0.000 1.269 217 Y HN 0.454 nan 8.280 nan 0.000 0.566 218 G N 1.151 109.834 108.800 -0.195 0.000 2.462 218 G HA2 -0.193 -1.495 3.960 -8.770 0.000 0.220 218 G HA3 -0.193 -1.495 3.960 -8.770 0.000 0.220 218 G C 1.664 176.561 174.900 -0.005 0.000 1.121 218 G CA 0.200 45.206 45.100 -0.158 0.000 0.758 218 G HN 0.292 nan 8.290 nan 0.000 0.559 219 R N 0.783 121.286 120.500 0.004 0.000 2.328 219 R HA 0.010 -0.912 4.340 -8.770 0.000 0.206 219 R C 2.363 178.714 176.300 0.085 0.000 0.990 219 R CA 1.039 57.157 56.100 0.030 0.000 1.085 219 R CB -0.678 29.631 30.300 0.015 0.000 0.998 219 R HN 0.566 nan 8.270 nan 0.000 0.484 220 T N -2.976 111.654 114.554 0.127 0.000 3.023 220 T HA -0.016 -0.928 4.350 -8.770 0.000 0.266 220 T C 0.727 175.378 174.700 -0.082 0.000 1.093 220 T CA 0.727 62.847 62.100 0.034 0.000 1.129 220 T CB -0.105 68.786 68.868 0.039 0.000 0.899 220 T HN 0.012 nan 8.240 nan 0.000 0.491 221 Y N -0.592 119.752 120.300 0.074 0.000 2.488 221 Y HA 0.515 -0.200 4.550 -8.775 0.000 0.325 221 Y C 0.936 176.911 175.900 0.125 0.000 1.204 221 Y CA -2.190 55.973 58.100 0.105 0.000 1.229 221 Y CB 0.704 39.200 38.460 0.060 0.000 1.274 221 Y HN -0.075 nan 8.280 nan 0.000 0.493 222 F N 0.441 120.510 119.950 0.198 0.000 2.113 222 F HA -0.045 -0.781 4.527 -8.772 0.000 0.297 222 F C 1.195 177.043 175.800 0.081 0.000 1.103 222 F CA 1.236 59.303 58.000 0.112 0.000 1.248 222 F CB -0.113 38.946 39.000 0.098 0.000 0.999 222 F HN 0.310 nan 8.300 nan 0.000 0.475 223 S N 1.026 116.720 115.700 -0.011 0.000 2.420 223 S HA 0.550 -0.242 4.470 -8.770 0.000 0.313 223 S C -0.745 173.802 174.600 -0.088 0.000 1.079 223 S CA -0.462 57.641 58.200 -0.162 0.000 1.104 223 S CB -0.403 62.782 63.200 -0.023 0.000 0.969 223 S HN 0.502 nan 8.310 nan 0.000 0.471 224 C N 2.606 121.814 119.300 -0.153 0.000 3.086 224 C HA 0.700 -0.102 4.460 -8.770 0.000 0.311 224 C C 1.507 176.410 174.990 -0.145 0.000 1.260 224 C CA -0.158 58.776 59.018 -0.141 0.000 1.426 224 C CB 0.691 28.350 27.740 -0.134 0.000 1.826 224 C HN 0.771 nan 8.230 nan 0.000 0.474 225 T N -0.542 113.951 114.554 -0.101 0.000 3.043 225 T HA 0.103 -0.809 4.350 -8.770 0.000 0.263 225 T C 0.859 175.516 174.700 -0.071 0.000 1.094 225 T CA 1.065 63.124 62.100 -0.069 0.000 1.127 225 T CB -0.618 68.274 68.868 0.040 0.000 0.905 225 T HN 1.304 nan 8.240 nan 0.000 0.490 226 S N 1.559 117.172 115.700 -0.145 0.000 2.596 226 S HA 0.643 -0.149 4.470 -8.770 0.000 0.260 226 S C 0.595 175.068 174.600 -0.211 0.000 1.336 226 S CA -0.632 57.423 58.200 -0.243 0.000 0.993 226 S CB 0.455 63.422 63.200 -0.388 0.000 0.923 226 S HN 0.706 nan 8.310 nan 0.000 0.567 227 A N 0.475 123.140 122.820 -0.258 0.000 2.310 227 A HA 0.298 -0.644 4.320 -8.770 0.000 0.260 227 A C 1.261 178.760 177.584 -0.143 0.000 1.112 227 A CA -0.384 51.592 52.037 -0.102 0.000 0.804 227 A CB -0.411 18.617 19.000 0.047 0.000 1.081 227 A HN 1.013 nan 8.150 nan 0.000 0.499 228 H N -0.005 119.062 119.070 -0.005 0.000 2.491 228 H HA -0.082 -0.788 4.556 -8.770 0.000 0.290 228 H C 1.637 176.976 175.328 0.018 0.000 1.050 228 H CA 2.037 58.090 56.048 0.008 0.000 1.309 228 H CB -0.099 29.682 29.762 0.032 0.000 1.392 228 H HN 0.776 nan 8.280 nan 0.000 0.554 229 T N -1.819 112.809 114.554 0.124 0.000 3.163 229 T HA 0.128 -0.784 4.350 -8.770 0.000 0.252 229 T C 0.708 175.419 174.700 0.019 0.000 1.056 229 T CA -0.312 61.844 62.100 0.094 0.000 0.947 229 T CB -0.005 68.930 68.868 0.111 0.000 1.016 229 T HN -0.074 nan 8.240 nan 0.000 0.554 230 S N 2.818 118.486 115.700 -0.054 0.000 2.955 230 S HA 0.308 -0.485 4.470 -8.770 0.000 0.294 230 S C 1.175 175.750 174.600 -0.041 0.000 1.198 230 S CA -0.586 57.543 58.200 -0.119 0.000 1.008 230 S CB 0.192 63.218 63.200 -0.289 0.000 1.279 230 S HN 0.716 nan 8.310 nan 0.000 0.508 231 T N -1.817 112.748 114.554 0.020 0.000 3.040 231 T HA 0.379 -0.533 4.350 -8.770 0.000 0.266 231 T C 1.114 175.876 174.700 0.103 0.000 1.005 231 T CA 0.147 62.292 62.100 0.075 0.000 0.906 231 T CB 0.200 69.130 68.868 0.102 0.000 1.082 231 T HN 0.764 nan 8.240 nan 0.000 0.531 232 G N 2.365 111.216 108.800 0.086 0.000 2.351 232 G HA2 -0.202 -1.504 3.960 -8.770 0.000 0.297 232 G HA3 -0.202 -1.504 3.960 -8.770 0.000 0.297 232 G C 0.250 175.167 174.900 0.030 0.000 1.054 232 G CA 0.230 45.392 45.100 0.104 0.000 1.123 232 G HN 0.468 nan 8.290 nan 0.000 0.512 233 D N 0.119 120.514 120.400 -0.010 0.000 2.137 233 D HA -0.043 -0.666 4.640 -8.770 0.000 0.202 233 D C 2.466 178.725 176.300 -0.069 0.000 0.970 233 D CA 1.430 55.403 54.000 -0.046 0.000 0.837 233 D CB -0.425 40.281 40.800 -0.157 0.000 0.981 233 D HN 0.559 nan 8.370 nan 0.000 0.475 234 G N 0.484 109.239 108.800 -0.076 0.000 2.448 234 G HA2 -0.184 -1.486 3.960 -8.770 0.000 0.218 234 G HA3 -0.184 -1.486 3.960 -8.770 0.000 0.218 234 G C 1.633 176.501 174.900 -0.053 0.000 1.135 234 G CA 1.141 46.199 45.100 -0.069 0.000 0.784 234 G HN 0.206 nan 8.290 nan 0.000 0.543 235 T N 1.486 116.014 114.554 -0.042 0.000 2.821 235 T HA 0.059 -0.854 4.350 -8.770 0.000 0.267 235 T C 2.671 177.321 174.700 -0.082 0.000 1.046 235 T CA 1.322 63.388 62.100 -0.057 0.000 1.139 235 T CB -0.161 68.682 68.868 -0.041 0.000 0.871 235 T HN 0.343 nan 8.240 nan 0.000 0.454 236 A N 0.660 123.440 122.820 -0.067 0.000 2.072 236 A HA 0.277 -0.666 4.320 -8.770 0.000 0.216 236 A C 2.249 179.813 177.584 -0.034 0.000 1.156 236 A CA 0.515 52.520 52.037 -0.054 0.000 0.701 236 A CB -0.532 18.452 19.000 -0.026 0.000 0.816 236 A HN 0.395 nan 8.150 nan 0.000 0.458 237 M N -0.764 118.814 119.600 -0.037 0.000 2.132 237 M HA -0.118 -0.900 4.480 -8.770 0.000 0.263 237 M C 2.003 178.283 176.300 -0.035 0.000 1.065 237 M CA 1.302 56.582 55.300 -0.033 0.000 1.122 237 M CB -0.230 32.341 32.600 -0.049 0.000 1.365 237 M HN 0.254 nan 8.290 nan 0.000 0.411 238 V N -0.407 119.479 119.914 -0.047 0.000 2.427 238 V HA -0.229 -1.371 4.120 -8.770 0.000 0.248 238 V C 2.254 178.318 176.094 -0.050 0.000 1.051 238 V CA 2.024 64.293 62.300 -0.050 0.000 1.048 238 V CB -0.853 30.931 31.823 -0.065 0.000 0.666 238 V HN 0.489 nan 8.190 nan 0.000 0.456 239 T N -0.341 114.175 114.554 -0.063 0.000 2.684 239 T HA -0.231 -1.143 4.350 -8.770 0.000 0.267 239 T C 2.082 176.767 174.700 -0.025 0.000 1.036 239 T CA 1.666 63.727 62.100 -0.065 0.000 1.148 239 T CB -0.243 68.574 68.868 -0.086 0.000 0.863 239 T HN 0.391 nan 8.240 nan 0.000 0.436 240 R N 0.665 121.158 120.500 -0.012 0.000 2.148 240 R HA 0.104 -0.819 4.340 -8.770 0.000 0.227 240 R C 2.410 178.715 176.300 0.008 0.000 1.103 240 R CA 0.975 57.078 56.100 0.006 0.000 0.983 240 R CB -0.228 30.080 30.300 0.013 0.000 0.874 240 R HN 0.299 nan 8.270 nan 0.000 0.451 241 A N -0.083 122.739 122.820 0.003 0.000 2.235 241 A HA 0.162 -0.780 4.320 -8.770 0.000 0.208 241 A C 1.442 179.041 177.584 0.024 0.000 1.172 241 A CA 0.887 52.928 52.037 0.006 0.000 0.786 241 A CB -0.220 18.778 19.000 -0.004 0.000 0.804 241 A HN 0.465 nan 8.150 nan 0.000 0.479 242 G N -2.031 106.795 108.800 0.043 0.000 2.176 242 G HA2 -0.208 -1.510 3.960 -8.770 0.000 0.253 242 G HA3 -0.208 -1.510 3.960 -8.770 0.000 0.253 242 G C 0.037 175.050 174.900 0.188 0.000 0.979 242 G CA 0.342 45.499 45.100 0.096 0.000 0.641 242 G HN 0.384 nan 8.290 nan 0.000 0.530 243 L N 2.667 123.946 121.223 0.094 0.000 2.436 243 L HA 0.526 -0.396 4.340 -8.770 0.000 0.265 243 L C -1.001 175.799 176.870 -0.116 0.000 1.168 243 L CA -1.648 53.231 54.840 0.065 0.000 0.815 243 L CB 0.415 42.472 42.059 -0.004 0.000 1.109 243 L HN 0.014 nan 8.230 nan 0.000 0.462 244 P HA 0.198 nan 4.420 nan 0.000 0.276 244 P C -1.287 175.782 177.300 -0.385 0.000 1.261 244 P CA -0.526 62.126 63.100 -0.747 0.000 0.800 244 P CB 1.021 32.267 31.700 -0.757 0.000 1.066 245 C N 0.104 119.179 119.300 -0.375 0.000 2.482 245 C HA 0.411 -0.392 4.460 -8.770 0.000 0.317 245 C C 0.053 174.941 174.990 -0.170 0.000 1.197 245 C CA -0.191 58.695 59.018 -0.219 0.000 1.432 245 C CB 1.172 28.797 27.740 -0.190 0.000 2.062 245 C HN 0.575 nan 8.230 nan 0.000 0.471 246 Q N 1.605 121.345 119.800 -0.100 0.000 2.241 246 Q HA 0.237 -0.685 4.340 -8.770 0.000 0.254 246 Q C -0.298 175.739 176.000 0.062 0.000 0.917 246 Q CA 0.079 55.858 55.803 -0.040 0.000 0.919 246 Q CB 0.610 29.302 28.738 -0.077 0.000 1.237 246 Q HN 0.761 nan 8.270 nan 0.000 0.434 247 D N 3.076 123.571 120.400 0.158 0.000 2.692 247 D HA -0.228 -0.851 4.640 -8.770 0.000 0.233 247 D C 0.395 176.896 176.300 0.335 0.000 1.172 247 D CA 0.730 54.938 54.000 0.347 0.000 0.636 247 D CB -0.640 40.372 40.800 0.354 0.000 1.028 247 D HN 0.662 nan 8.370 nan 0.000 0.419 248 L N 0.187 121.517 121.223 0.180 0.000 2.395 248 L HA -0.121 -1.043 4.340 -8.770 0.000 0.218 248 L C 2.589 179.576 176.870 0.195 0.000 1.130 248 L CA 0.866 55.814 54.840 0.180 0.000 0.826 248 L CB -0.162 41.908 42.059 0.018 0.000 0.941 248 L HN 0.199 nan 8.230 nan 0.000 0.451 249 E N 0.634 120.874 120.200 0.066 0.000 2.274 249 E HA -0.167 -1.079 4.350 -8.770 0.000 0.194 249 E C 0.293 176.849 176.600 -0.073 0.000 0.996 249 E CA 0.360 56.714 56.400 -0.078 0.000 0.840 249 E CB -0.286 29.198 29.700 -0.361 0.000 0.772 249 E HN 0.277 nan 8.360 nan 0.000 0.491 250 F N 1.886 121.909 119.950 0.121 0.000 2.462 250 F HA 0.196 -0.545 4.527 -8.779 0.000 0.360 250 F C -0.001 175.874 175.800 0.126 0.000 1.134 250 F CA -0.361 57.726 58.000 0.146 0.000 1.148 250 F CB 1.002 40.083 39.000 0.136 0.000 1.147 250 F HN -0.285 nan 8.300 nan 0.000 0.550 251 V N 3.653 123.713 119.914 0.243 0.000 2.444 251 V HA 0.231 -0.911 4.120 -8.770 0.000 0.294 251 V C -0.219 175.866 176.094 -0.014 0.000 1.022 251 V CA -1.038 61.285 62.300 0.038 0.000 0.850 251 V CB 1.636 33.414 31.823 -0.076 0.000 0.992 251 V HN 0.570 nan 8.190 nan 0.000 0.426 252 Q N 3.927 123.713 119.800 -0.024 0.000 2.262 252 Q HA 0.253 -0.669 4.340 -8.770 0.000 0.272 252 Q C -1.250 174.681 176.000 -0.115 0.000 1.076 252 Q CA 0.538 56.373 55.803 0.054 0.000 0.905 252 Q CB 0.236 29.091 28.738 0.196 0.000 1.182 252 Q HN 0.543 nan 8.270 nan 0.000 0.390 253 F N 3.951 123.905 119.950 0.007 0.000 2.350 253 F HA 0.201 -0.537 4.527 -8.775 0.000 0.365 253 F C 0.099 175.893 175.800 -0.009 0.000 1.122 253 F CA -0.693 57.293 58.000 -0.024 0.000 1.139 253 F CB 0.557 39.507 39.000 -0.084 0.000 1.220 253 F HN 0.625 nan 8.300 nan 0.000 0.499 254 H N 5.409 124.506 119.070 0.045 0.000 2.722 254 H HA 0.175 -0.531 4.556 -8.771 0.000 0.328 254 H C -1.795 173.530 175.328 -0.006 0.000 1.067 254 H CA -1.457 54.549 56.048 -0.069 0.000 1.447 254 H CB 1.269 30.875 29.762 -0.259 0.000 1.469 254 H HN 0.283 nan 8.280 nan 0.000 0.544 255 P HA -0.097 nan 4.420 nan 0.000 0.215 255 P C -0.103 177.215 177.300 0.031 0.000 1.157 255 P CA 1.387 64.419 63.100 -0.113 0.000 0.863 255 P CB 0.205 31.784 31.700 -0.202 0.000 0.787 256 T N -1.981 112.636 114.554 0.104 0.000 2.910 256 T HA 0.668 -0.244 4.350 -8.770 0.000 0.323 256 T C 0.159 174.993 174.700 0.224 0.000 1.091 256 T CA -0.776 61.432 62.100 0.180 0.000 0.960 256 T CB 0.346 69.295 68.868 0.135 0.000 1.024 256 T HN 0.062 nan 8.240 nan 0.000 0.509 257 G N 3.448 112.334 108.800 0.144 0.000 2.732 257 G HA2 0.557 -0.745 3.960 -8.770 0.000 0.295 257 G HA3 0.557 -0.745 3.960 -8.770 0.000 0.295 257 G C -0.466 174.472 174.900 0.063 0.000 1.456 257 G CA -1.036 44.112 45.100 0.080 0.000 1.050 257 G HN 0.747 nan 8.290 nan 0.000 0.525 258 I N 2.115 122.700 120.570 0.025 0.000 2.826 258 I HA -0.106 -1.198 4.170 -8.770 0.000 0.295 258 I C 1.580 177.727 176.117 0.050 0.000 1.213 258 I CA 0.022 61.345 61.300 0.038 0.000 1.436 258 I CB 0.331 38.333 38.000 0.004 0.000 1.348 258 I HN 0.669 nan 8.210 nan 0.000 0.570 259 Y N 6.336 126.602 120.300 -0.057 0.000 2.241 259 Y HA -0.192 -0.904 4.550 -8.771 0.000 0.286 259 Y C 1.844 177.735 175.900 -0.015 0.000 1.166 259 Y CA 1.599 59.663 58.100 -0.059 0.000 1.203 259 Y CB -0.383 37.952 38.460 -0.209 0.000 0.977 259 Y HN 0.676 nan 8.280 nan 0.000 0.529 260 G N -0.258 108.492 108.800 -0.084 0.000 2.587 260 G HA2 -0.051 -1.353 3.960 -8.770 0.000 0.197 260 G HA3 -0.051 -1.353 3.960 -8.770 0.000 0.197 260 G C 1.673 176.490 174.900 -0.137 0.000 1.540 260 G CA 0.817 45.847 45.100 -0.117 0.000 0.910 260 G HN 0.503 nan 8.290 nan 0.000 0.437 261 A N -1.136 121.640 122.820 -0.073 0.000 2.119 261 A HA 0.401 -0.541 4.320 -8.770 0.000 0.217 261 A C 1.956 179.419 177.584 -0.201 0.000 1.153 261 A CA 1.736 53.703 52.037 -0.117 0.000 0.692 261 A CB -0.575 18.375 19.000 -0.083 0.000 0.799 261 A HN 2.139 nan 8.150 nan 0.000 0.458 262 G N -2.181 106.504 108.800 -0.191 0.000 2.131 262 G HA2 -0.210 -1.512 3.960 -8.770 0.000 0.201 262 G HA3 -0.210 -1.512 3.960 -8.770 0.000 0.201 262 G C 0.172 174.965 174.900 -0.178 0.000 1.000 262 G CA -0.187 44.813 45.100 -0.167 0.000 0.680 262 G HN 0.626 nan 8.290 nan 0.000 0.514 263 C N -0.371 118.777 119.300 -0.253 0.000 2.705 263 C HA 0.612 -0.190 4.460 -8.770 0.000 0.382 263 C C 1.043 175.944 174.990 -0.148 0.000 1.322 263 C CA -0.363 58.488 59.018 -0.279 0.000 2.290 263 C CB 0.686 28.114 27.740 -0.521 0.000 2.650 263 C HN 0.692 nan 8.230 nan 0.000 0.695 264 L N 2.971 124.122 121.223 -0.119 0.000 2.282 264 L HA 0.621 -0.301 4.340 -8.770 0.000 0.288 264 L C -0.328 176.507 176.870 -0.059 0.000 1.033 264 L CA -0.053 54.736 54.840 -0.085 0.000 0.807 264 L CB 0.488 42.495 42.059 -0.087 0.000 1.209 264 L HN 0.648 nan 8.230 nan 0.000 0.423 265 I N 1.922 122.479 120.570 -0.022 0.000 2.359 265 I HA 0.498 -0.594 4.170 -8.770 0.000 0.294 265 I C 0.497 176.632 176.117 0.028 0.000 0.987 265 I CA -0.213 61.095 61.300 0.012 0.000 1.225 265 I CB 1.428 39.450 38.000 0.038 0.000 1.366 265 I HN 0.571 nan 8.210 nan 0.000 0.466 266 T N 2.393 116.970 114.554 0.037 0.000 2.795 266 T HA 0.012 -0.901 4.350 -8.770 0.000 0.314 266 T C 0.967 175.714 174.700 0.078 0.000 1.069 266 T CA 0.295 62.438 62.100 0.072 0.000 1.071 266 T CB 0.575 69.522 68.868 0.132 0.000 0.988 266 T HN 0.941 nan 8.240 nan 0.000 0.543 267 E N 1.109 121.337 120.200 0.047 0.000 2.347 267 E HA 0.038 -0.874 4.350 -8.770 0.000 0.196 267 E C 1.993 178.240 176.600 -0.588 0.000 1.008 267 E CA 0.812 57.022 56.400 -0.317 0.000 0.852 267 E CB -0.705 28.679 29.700 -0.527 0.000 0.783 267 E HN 0.874 nan 8.360 nan 0.000 0.505 268 G N 0.129 108.752 108.800 -0.294 0.000 2.498 268 G HA2 -0.255 -1.557 3.960 -8.770 0.000 0.219 268 G HA3 -0.255 -1.557 3.960 -8.770 0.000 0.219 268 G C 1.487 176.373 174.900 -0.022 0.000 1.119 268 G CA 0.751 45.829 45.100 -0.036 0.000 0.766 268 G HN 0.379 nan 8.290 nan 0.000 0.552 269 C N -0.041 119.237 119.300 -0.037 0.000 2.429 269 C HA 0.033 -0.769 4.460 -8.770 0.000 0.277 269 C C 2.867 177.832 174.990 -0.041 0.000 1.262 269 C CA 0.603 59.611 59.018 -0.017 0.000 1.733 269 C CB -0.749 26.991 27.740 -0.001 0.000 2.010 269 C HN 0.463 nan 8.230 nan 0.000 0.483 270 R N 0.482 120.921 120.500 -0.101 0.000 2.189 270 R HA 0.002 -0.921 4.340 -8.770 0.000 0.218 270 R C 2.390 178.628 176.300 -0.103 0.000 1.074 270 R CA 1.170 57.206 56.100 -0.107 0.000 0.991 270 R CB -0.452 29.748 30.300 -0.167 0.000 0.883 270 R HN 0.645 nan 8.270 nan 0.000 0.457 271 G N 0.849 109.573 108.800 -0.127 0.000 2.403 271 G HA2 -0.194 -1.496 3.960 -8.770 0.000 0.216 271 G HA3 -0.194 -1.496 3.960 -8.770 0.000 0.216 271 G C 1.188 176.110 174.900 0.036 0.000 1.154 271 G CA 0.265 45.332 45.100 -0.056 0.000 0.784 271 G HN 0.183 nan 8.290 nan 0.000 0.538 272 E N 0.131 120.362 120.200 0.053 0.000 2.112 272 E HA 0.076 -0.836 4.350 -8.770 0.000 0.190 272 E C 1.771 178.409 176.600 0.063 0.000 0.979 272 E CA 1.068 57.518 56.400 0.083 0.000 0.814 272 E CB 0.148 29.895 29.700 0.078 0.000 0.762 272 E HN 0.465 nan 8.360 nan 0.000 0.460 273 G N 0.600 109.426 108.800 0.044 0.000 4.207 273 G HA2 -0.002 -1.305 3.960 -8.770 0.000 0.222 273 G HA3 -0.002 -1.305 3.960 -8.770 0.000 0.222 273 G C 0.297 175.266 174.900 0.114 0.000 0.850 273 G CA -0.244 44.906 45.100 0.083 0.000 1.149 273 G HN 0.341 nan 8.290 nan 0.000 0.751 274 G N 0.388 109.217 108.800 0.048 0.000 2.432 274 G HA2 0.549 -0.753 3.960 -8.770 0.000 0.257 274 G HA3 0.549 -0.753 3.960 -8.770 0.000 0.257 274 G C -0.138 174.807 174.900 0.074 0.000 1.238 274 G CA -0.119 45.016 45.100 0.059 0.000 0.838 274 G HN 0.286 nan 8.290 nan 0.000 0.547 275 I N 1.296 121.939 120.570 0.122 0.000 2.569 275 I HA 0.354 -0.739 4.170 -8.770 0.000 0.296 275 I C -0.782 175.361 176.117 0.044 0.000 1.028 275 I CA -1.082 60.251 61.300 0.054 0.000 1.082 275 I CB 1.823 39.855 38.000 0.053 0.000 1.264 275 I HN 0.160 nan 8.210 nan 0.000 0.429 276 L N 6.028 127.223 121.223 -0.047 0.000 2.272 276 L HA 0.502 -0.420 4.340 -8.770 0.000 0.289 276 L C -0.447 176.465 176.870 0.071 0.000 1.032 276 L CA -0.019 54.829 54.840 0.013 0.000 0.810 276 L CB 1.059 43.054 42.059 -0.106 0.000 1.205 276 L HN 0.330 nan 8.230 nan 0.000 0.422 277 I N 3.177 123.929 120.570 0.303 0.000 2.465 277 I HA 0.380 -0.712 4.170 -8.770 0.000 0.291 277 I C -0.021 176.333 176.117 0.394 0.000 1.014 277 I CA -0.568 60.931 61.300 0.331 0.000 1.093 277 I CB 1.784 39.911 38.000 0.212 0.000 1.267 277 I HN 0.646 nan 8.210 nan 0.000 0.431 278 N N 2.671 121.588 118.700 0.362 0.000 2.379 278 N HA 0.200 -0.322 4.740 -8.770 0.000 0.260 278 N C 1.028 176.591 175.510 0.088 0.000 1.254 278 N CA -0.087 53.034 53.050 0.119 0.000 0.958 278 N CB 0.445 38.938 38.487 0.010 0.000 1.208 278 N HN 0.583 nan 8.380 nan 0.000 0.532 279 S N -1.225 114.470 115.700 -0.008 0.000 2.387 279 S HA -0.330 -1.122 4.470 -8.770 0.000 0.230 279 S C 1.654 176.275 174.600 0.034 0.000 1.035 279 S CA 1.331 59.531 58.200 0.000 0.000 1.014 279 S CB -0.728 62.429 63.200 -0.072 0.000 0.836 279 S HN 0.746 nan 8.310 nan 0.000 0.466 280 Q N 0.882 120.699 119.800 0.027 0.000 2.297 280 Q HA 0.198 -0.724 4.340 -8.770 0.000 0.204 280 Q C 1.545 177.572 176.000 0.045 0.000 0.962 280 Q CA 0.904 56.724 55.803 0.028 0.000 0.879 280 Q CB -0.158 28.592 28.738 0.019 0.000 0.947 280 Q HN 0.837 nan 8.270 nan 0.000 0.462 281 G N 0.125 108.968 108.800 0.071 0.000 2.380 281 G HA2 -0.232 -1.534 3.960 -8.770 0.000 0.197 281 G HA3 -0.232 -1.534 3.960 -8.770 0.000 0.197 281 G C -0.153 174.796 174.900 0.081 0.000 1.001 281 G CA -0.035 45.107 45.100 0.071 0.000 0.668 281 G HN 0.353 nan 8.290 nan 0.000 0.483 282 E N 1.296 121.552 120.200 0.094 0.000 2.376 282 E HA 0.244 -0.668 4.350 -8.770 0.000 0.266 282 E C 0.562 177.254 176.600 0.152 0.000 1.009 282 E CA -0.566 55.895 56.400 0.102 0.000 0.902 282 E CB 0.312 30.073 29.700 0.101 0.000 0.972 282 E HN 0.347 nan 8.360 nan 0.000 0.439 283 R N 5.453 126.002 120.500 0.082 0.000 2.459 283 R HA -0.010 -0.932 4.340 -8.770 0.000 0.301 283 R C 0.778 177.090 176.300 0.020 0.000 1.286 283 R CA -0.099 56.011 56.100 0.017 0.000 1.046 283 R CB -0.346 29.928 30.300 -0.043 0.000 1.071 283 R HN 0.565 nan 8.270 nan 0.000 0.512 284 F N 2.245 122.249 119.950 0.090 0.000 2.408 284 F HA -0.005 -0.741 4.527 -8.772 0.000 0.300 284 F C 0.799 176.736 175.800 0.229 0.000 1.090 284 F CA 0.127 58.219 58.000 0.153 0.000 1.427 284 F CB -0.021 39.105 39.000 0.210 0.000 1.070 284 F HN 0.246 nan 8.300 nan 0.000 0.549 285 M N 1.719 121.105 119.600 -0.356 0.000 3.484 285 M HA 0.097 -0.685 4.480 -8.770 0.000 0.196 285 M C 0.212 176.497 176.300 -0.024 0.000 1.359 285 M CA 0.559 55.759 55.300 -0.166 0.000 1.510 285 M CB -1.298 31.092 32.600 -0.350 0.000 1.284 285 M HN 0.495 nan 8.290 nan 0.000 0.463 286 E N -0.925 119.300 120.200 0.041 0.000 2.505 286 E HA 0.100 -0.812 4.350 -8.770 0.000 0.212 286 E C 1.761 178.369 176.600 0.014 0.000 0.825 286 E CA -0.121 56.292 56.400 0.022 0.000 1.333 286 E CB 0.732 30.434 29.700 0.002 0.000 1.319 286 E HN 0.382 nan 8.360 nan 0.000 0.658 287 R N 0.133 120.626 120.500 -0.012 0.000 2.115 287 R HA -0.048 -0.970 4.340 -8.770 0.000 0.226 287 R C 1.127 177.285 176.300 -0.238 0.000 1.100 287 R CA 1.308 57.306 56.100 -0.170 0.000 0.980 287 R CB 0.181 30.294 30.300 -0.312 0.000 0.875 287 R HN 0.162 nan 8.270 nan 0.000 0.445 288 Y N -0.979 119.368 120.300 0.078 0.000 2.265 288 Y HA 0.319 -0.393 4.550 -8.771 0.000 0.290 288 Y C 0.852 176.791 175.900 0.065 0.000 1.137 288 Y CA 0.339 58.489 58.100 0.083 0.000 1.147 288 Y CB 0.300 38.830 38.460 0.117 0.000 1.104 288 Y HN -0.006 nan 8.280 nan 0.000 0.514 289 A N 1.236 124.189 122.820 0.223 0.000 2.664 289 A HA 0.376 -0.566 4.320 -8.770 0.000 0.338 289 A C -2.200 175.439 177.584 0.091 0.000 1.280 289 A CA -1.275 50.849 52.037 0.144 0.000 0.809 289 A CB 0.083 19.163 19.000 0.134 0.000 1.114 289 A HN 0.101 nan 8.150 nan 0.000 0.479 290 P HA -0.042 nan 4.420 nan 0.000 0.227 290 P C 1.425 178.754 177.300 0.050 0.000 1.161 290 P CA 0.728 63.855 63.100 0.045 0.000 0.788 290 P CB 0.224 31.943 31.700 0.031 0.000 0.822 291 V N 0.931 120.889 119.914 0.074 0.000 2.270 291 V HA -0.071 -1.214 4.120 -8.770 0.000 0.245 291 V C 2.142 178.298 176.094 0.103 0.000 1.043 291 V CA 2.319 64.669 62.300 0.083 0.000 1.014 291 V CB -1.480 30.398 31.823 0.092 0.000 0.645 291 V HN 0.133 nan 8.190 nan 0.000 0.447 292 A N -1.545 121.356 122.820 0.135 0.000 2.701 292 A HA 0.400 -0.542 4.320 -8.770 0.000 0.297 292 A C 0.771 178.363 177.584 0.015 0.000 1.197 292 A CA -0.282 51.814 52.037 0.099 0.000 0.963 292 A CB -0.152 18.944 19.000 0.160 0.000 1.175 292 A HN 0.480 nan 8.150 nan 0.000 0.531 293 K N -0.342 120.066 120.400 0.012 0.000 1.931 293 K HA -0.270 -1.212 4.320 -8.770 0.000 0.126 293 K C 0.071 176.635 176.600 -0.060 0.000 1.372 293 K CA 1.897 58.168 56.287 -0.025 0.000 0.483 293 K CB -0.913 31.566 32.500 -0.035 0.000 0.562 293 K HN 0.578 nan 8.250 nan 0.000 0.923 294 D N 0.471 120.811 120.400 -0.099 0.000 2.328 294 D HA 0.127 -0.495 4.640 -8.770 0.000 0.221 294 D C 0.621 176.832 176.300 -0.148 0.000 1.072 294 D CA 0.102 54.015 54.000 -0.145 0.000 0.850 294 D CB 0.148 40.840 40.800 -0.181 0.000 0.922 294 D HN 0.223 nan 8.370 nan 0.000 0.516 295 L N 0.503 121.643 121.223 -0.137 0.000 3.034 295 L HA 0.542 -0.380 4.340 -8.770 0.000 0.245 295 L C 0.371 177.105 176.870 -0.228 0.000 1.295 295 L CA -0.577 54.156 54.840 -0.178 0.000 1.068 295 L CB -0.507 41.460 42.059 -0.154 0.000 1.426 295 L HN 0.112 nan 8.230 nan 0.000 0.531 296 A N -1.211 121.485 122.820 -0.206 0.000 2.250 296 A HA 0.607 -0.335 4.320 -8.770 0.000 0.283 296 A C 0.646 178.068 177.584 -0.270 0.000 1.206 296 A CA -0.329 51.554 52.037 -0.256 0.000 0.840 296 A CB 0.091 19.038 19.000 -0.087 0.000 1.220 296 A HN 0.338 nan 8.150 nan 0.000 0.505 297 S N -0.407 115.149 115.700 -0.239 0.000 2.563 297 S HA 0.080 -0.713 4.470 -8.770 0.000 0.284 297 S C 1.319 175.850 174.600 -0.115 0.000 1.331 297 S CA -0.277 57.830 58.200 -0.155 0.000 1.047 297 S CB 0.402 63.575 63.200 -0.043 0.000 0.859 297 S HN 0.584 nan 8.310 nan 0.000 0.514 298 R N 1.248 121.684 120.500 -0.105 0.000 2.249 298 R HA -0.128 -1.051 4.340 -8.770 0.000 0.230 298 R C 1.447 177.699 176.300 -0.080 0.000 1.121 298 R CA 1.471 57.495 56.100 -0.126 0.000 0.997 298 R CB -0.229 30.014 30.300 -0.095 0.000 0.867 298 R HN 0.771 nan 8.270 nan 0.000 0.465 299 D N -0.629 119.751 120.400 -0.032 0.000 2.262 299 D HA -0.061 -0.683 4.640 -8.770 0.000 0.212 299 D C 1.752 178.024 176.300 -0.046 0.000 0.964 299 D CA 0.485 54.479 54.000 -0.010 0.000 0.875 299 D CB -0.314 40.510 40.800 0.041 0.000 0.996 299 D HN 0.003 nan 8.370 nan 0.000 0.497 300 V N 1.313 121.210 119.914 -0.030 0.000 2.427 300 V HA -0.171 -1.313 4.120 -8.770 0.000 0.248 300 V C 2.905 178.960 176.094 -0.065 0.000 1.051 300 V CA 1.053 63.341 62.300 -0.021 0.000 1.048 300 V CB -0.280 31.565 31.823 0.037 0.000 0.666 300 V HN 0.079 nan 8.190 nan 0.000 0.456 301 V N 1.201 121.066 119.914 -0.082 0.000 2.307 301 V HA -0.211 -1.354 4.120 -8.770 0.000 0.245 301 V C 2.722 178.772 176.094 -0.072 0.000 1.045 301 V CA 2.259 64.507 62.300 -0.087 0.000 1.024 301 V CB -0.942 30.805 31.823 -0.127 0.000 0.651 301 V HN 0.741 nan 8.190 nan 0.000 0.449 302 S N 0.467 116.110 115.700 -0.095 0.000 2.402 302 S HA -0.237 -1.029 4.470 -8.770 0.000 0.229 302 S C 2.070 176.587 174.600 -0.139 0.000 1.021 302 S CA 1.500 59.649 58.200 -0.085 0.000 0.974 302 S CB -0.473 62.693 63.200 -0.056 0.000 0.800 302 S HN 0.511 nan 8.310 nan 0.000 0.484 303 R N 1.081 121.469 120.500 -0.186 0.000 2.148 303 R HA 0.128 -0.794 4.340 -8.770 0.000 0.223 303 R C 2.203 178.412 176.300 -0.151 0.000 1.088 303 R CA 1.217 57.157 56.100 -0.266 0.000 0.985 303 R CB -0.343 29.784 30.300 -0.288 0.000 0.880 303 R HN 0.464 nan 8.270 nan 0.000 0.451 304 S N 0.129 115.676 115.700 -0.254 0.000 2.387 304 S HA -0.081 -0.873 4.470 -8.770 0.000 0.226 304 S C 1.749 176.121 174.600 -0.381 0.000 1.026 304 S CA 1.115 58.948 58.200 -0.612 0.000 0.972 304 S CB -0.027 62.726 63.200 -0.745 0.000 0.814 304 S HN 0.295 nan 8.310 nan 0.000 0.477 305 M N 1.024 120.528 119.600 -0.159 0.000 2.132 305 M HA -0.081 -0.863 4.480 -8.770 0.000 0.263 305 M C 2.184 178.386 176.300 -0.164 0.000 1.065 305 M CA 1.292 56.474 55.300 -0.197 0.000 1.122 305 M CB -0.930 31.648 32.600 -0.037 0.000 1.365 305 M HN 0.228 nan 8.290 nan 0.000 0.411 306 T N 0.761 115.278 114.554 -0.061 0.000 2.915 306 T HA -0.080 -0.992 4.350 -8.770 0.000 0.269 306 T C 1.616 176.372 174.700 0.093 0.000 1.071 306 T CA 0.843 62.967 62.100 0.040 0.000 1.132 306 T CB -0.155 68.766 68.868 0.088 0.000 0.878 306 T HN 0.172 nan 8.240 nan 0.000 0.479 307 L N 0.832 122.112 121.223 0.094 0.000 2.418 307 L HA 0.158 -0.764 4.340 -8.770 0.000 0.218 307 L C 2.209 179.066 176.870 -0.022 0.000 1.125 307 L CA 1.222 56.080 54.840 0.030 0.000 0.835 307 L CB -0.334 41.800 42.059 0.124 0.000 0.953 307 L HN 0.033 nan 8.230 nan 0.000 0.454 308 E N -0.483 119.651 120.200 -0.110 0.000 2.216 308 E HA -0.039 -0.952 4.350 -8.770 0.000 0.192 308 E C 2.177 178.684 176.600 -0.155 0.000 0.988 308 E CA 0.949 57.245 56.400 -0.173 0.000 0.834 308 E CB 0.092 29.525 29.700 -0.445 0.000 0.772 308 E HN 0.549 nan 8.360 nan 0.000 0.479 309 I N 0.577 121.066 120.570 -0.134 0.000 2.439 309 I HA -0.169 -1.261 4.170 -8.770 0.000 0.251 309 I C 2.459 178.525 176.117 -0.086 0.000 1.139 309 I CA 0.489 61.724 61.300 -0.108 0.000 1.438 309 I CB -0.213 37.742 38.000 -0.076 0.000 1.085 309 I HN -0.092 nan 8.210 nan 0.000 0.427 310 R N 1.292 121.742 120.500 -0.083 0.000 2.103 310 R HA -0.176 -1.098 4.340 -8.770 0.000 0.242 310 R C 2.052 178.303 176.300 -0.081 0.000 1.142 310 R CA 1.486 57.530 56.100 -0.093 0.000 0.960 310 R CB -0.508 29.712 30.300 -0.132 0.000 0.858 310 R HN 0.486 nan 8.270 nan 0.000 0.439 311 E N -1.086 119.071 120.200 -0.072 0.000 2.208 311 E HA -0.039 -0.951 4.350 -8.770 0.000 0.193 311 E C 1.190 177.752 176.600 -0.062 0.000 0.988 311 E CA 1.044 57.407 56.400 -0.061 0.000 0.828 311 E CB 0.047 29.718 29.700 -0.049 0.000 0.763 311 E HN 0.541 nan 8.360 nan 0.000 0.478 312 G N 1.581 110.337 108.800 -0.073 0.000 2.151 312 G HA2 -0.232 -1.534 3.960 -8.770 0.000 0.156 312 G HA3 -0.232 -1.534 3.960 -8.770 0.000 0.156 312 G C 0.325 175.173 174.900 -0.087 0.000 1.017 312 G CA -0.117 44.938 45.100 -0.074 0.000 0.686 312 G HN 0.162 nan 8.290 nan 0.000 0.503 313 R N 0.664 121.102 120.500 -0.103 0.000 3.179 313 R HA 0.441 -0.481 4.340 -8.770 0.000 0.317 313 R C 1.386 177.584 176.300 -0.169 0.000 1.331 313 R CA 0.375 56.405 56.100 -0.115 0.000 1.184 313 R CB 0.446 30.686 30.300 -0.100 0.000 1.408 313 R HN 0.374 nan 8.270 nan 0.000 0.598 314 G N -0.888 107.799 108.800 -0.188 0.000 2.503 314 G HA2 0.075 -1.227 3.960 -8.770 0.000 0.257 314 G HA3 0.075 -1.227 3.960 -8.770 0.000 0.257 314 G C 0.460 175.144 174.900 -0.360 0.000 1.214 314 G CA -0.606 44.325 45.100 -0.281 0.000 0.839 314 G HN 0.420 nan 8.290 nan 0.000 0.559 315 C N 1.508 120.444 119.300 -0.606 0.000 2.791 315 C HA 0.456 -0.346 4.460 -8.770 0.000 0.270 315 C C 1.617 176.159 174.990 -0.746 0.000 1.257 315 C CA -0.059 58.548 59.018 -0.684 0.000 1.699 315 C CB -0.987 26.153 27.740 -1.000 0.000 1.904 315 C HN 0.842 nan 8.230 nan 0.000 0.603 316 G N 0.837 109.150 108.800 -0.812 0.000 2.932 316 G HA2 0.504 -0.798 3.960 -8.770 0.000 0.283 316 G HA3 0.504 -0.798 3.960 -8.770 0.000 0.283 316 G C -1.985 172.794 174.900 -0.202 0.000 1.336 316 G CA -0.554 44.269 45.100 -0.461 0.000 1.056 316 G HN -0.055 nan 8.290 nan 0.000 0.522 317 P HA 0.006 nan 4.420 nan 0.000 0.220 317 P C 1.139 178.419 177.300 -0.034 0.000 1.148 317 P CA 0.894 63.976 63.100 -0.029 0.000 0.803 317 P CB 0.483 32.196 31.700 0.021 0.000 0.782 318 E N -0.120 120.053 120.200 -0.045 0.000 2.385 318 E HA 0.016 -0.896 4.350 -8.770 0.000 0.194 318 E C -0.026 176.530 176.600 -0.073 0.000 1.013 318 E CA 0.165 56.555 56.400 -0.017 0.000 0.866 318 E CB -0.545 29.194 29.700 0.066 0.000 0.832 318 E HN -0.083 nan 8.360 nan 0.000 0.500 319 K N 0.836 121.136 120.400 -0.167 0.000 3.619 319 K HA -0.188 -1.130 4.320 -8.770 0.000 0.275 319 K C -0.721 175.769 176.600 -0.184 0.000 0.993 319 K CA 0.741 56.904 56.287 -0.206 0.000 0.787 319 K CB -1.349 31.072 32.500 -0.132 0.000 1.431 319 K HN 0.384 nan 8.250 nan 0.000 0.451 320 D N -1.728 118.527 120.400 -0.242 0.000 2.331 320 D HA -0.040 -0.663 4.640 -8.770 0.000 0.300 320 D C 0.709 176.944 176.300 -0.107 0.000 1.090 320 D CA 0.467 54.405 54.000 -0.105 0.000 0.905 320 D CB -0.166 40.671 40.800 0.062 0.000 1.600 320 D HN 0.579 nan 8.370 nan 0.000 0.511 321 H N -0.111 118.833 119.070 -0.210 0.000 2.523 321 H HA 0.716 0.009 4.556 -8.771 0.000 0.345 321 H C -0.575 174.585 175.328 -0.279 0.000 1.261 321 H CA -0.842 55.085 56.048 -0.201 0.000 1.343 321 H CB 1.502 31.099 29.762 -0.275 0.000 1.650 321 H HN -0.154 nan 8.280 nan 0.000 0.591 322 V N 0.719 120.627 119.914 -0.010 0.000 2.960 322 V HA 0.182 -0.960 4.120 -8.770 0.000 0.315 322 V C -1.032 175.098 176.094 0.061 0.000 1.087 322 V CA -0.896 61.360 62.300 -0.074 0.000 0.982 322 V CB 1.662 33.476 31.823 -0.014 0.000 1.039 322 V HN 0.599 nan 8.190 nan 0.000 0.437 323 Y N 2.122 122.533 120.300 0.185 0.000 2.323 323 Y HA 0.642 -0.070 4.550 -8.770 0.000 0.331 323 Y C -0.042 175.949 175.900 0.152 0.000 1.092 323 Y CA -0.950 57.248 58.100 0.165 0.000 1.150 323 Y CB 1.570 40.109 38.460 0.131 0.000 1.200 323 Y HN 0.505 nan 8.280 nan 0.000 0.472 324 L N 4.047 125.457 121.223 0.312 0.000 2.298 324 L HA 0.487 -0.435 4.340 -8.770 0.000 0.284 324 L C -0.652 176.308 176.870 0.151 0.000 1.013 324 L CA -0.422 54.533 54.840 0.192 0.000 0.824 324 L CB 1.068 43.210 42.059 0.138 0.000 1.221 324 L HN 0.634 nan 8.230 nan 0.000 0.418 325 Q N 4.352 124.238 119.800 0.143 0.000 2.256 325 Q HA 0.441 -0.481 4.340 -8.770 0.000 0.257 325 Q C -0.561 175.506 176.000 0.111 0.000 0.936 325 Q CA -0.463 55.420 55.803 0.133 0.000 0.903 325 Q CB 1.496 30.336 28.738 0.171 0.000 1.263 325 Q HN 0.881 nan 8.270 nan 0.000 0.440 326 L N 2.859 124.113 121.223 0.052 0.000 3.333 326 L HA 0.152 -0.770 4.340 -8.770 0.000 0.299 326 L C 1.020 177.841 176.870 -0.080 0.000 1.256 326 L CA -0.160 54.631 54.840 -0.082 0.000 1.037 326 L CB 0.134 42.159 42.059 -0.056 0.000 1.423 326 L HN 0.772 nan 8.230 nan 0.000 0.605 327 H N 0.772 119.823 119.070 -0.033 0.000 2.456 327 H HA -0.163 -0.869 4.556 -8.770 0.000 0.296 327 H C 2.281 177.622 175.328 0.021 0.000 1.079 327 H CA 2.182 58.233 56.048 0.005 0.000 1.322 327 H CB 0.305 30.093 29.762 0.043 0.000 1.388 327 H HN 0.460 nan 8.280 nan 0.000 0.538 328 H N -1.663 117.434 119.070 0.045 0.000 2.595 328 H HA 0.085 -0.621 4.556 -8.771 0.000 0.265 328 H C 0.469 175.787 175.328 -0.017 0.000 0.953 328 H CA -0.298 55.755 56.048 0.008 0.000 1.197 328 H CB -0.152 29.642 29.762 0.053 0.000 1.438 328 H HN 0.151 nan 8.280 nan 0.000 0.531 329 L N 3.353 124.306 121.223 -0.450 0.000 2.485 329 L HA 0.174 -0.748 4.340 -8.770 0.000 0.275 329 L C -1.869 174.925 176.870 -0.128 0.000 1.207 329 L CA -1.381 53.296 54.840 -0.272 0.000 0.855 329 L CB 0.305 42.200 42.059 -0.272 0.000 1.114 329 L HN 0.092 nan 8.230 nan 0.000 0.485 330 P HA 0.059 nan 4.420 nan 0.000 0.265 330 P C -1.876 175.390 177.300 -0.057 0.000 1.187 330 P CA -0.787 62.285 63.100 -0.047 0.000 0.766 330 P CB 0.043 31.729 31.700 -0.024 0.000 0.820 331 P HA -0.216 nan 4.420 nan 0.000 0.215 331 P C 1.287 178.561 177.300 -0.043 0.000 1.157 331 P CA 1.535 64.604 63.100 -0.052 0.000 0.874 331 P CB -0.105 31.568 31.700 -0.045 0.000 0.790 332 E N 0.093 120.272 120.200 -0.036 0.000 2.371 332 E HA -0.170 -1.082 4.350 -8.770 0.000 0.194 332 E C 1.942 178.520 176.600 -0.037 0.000 1.012 332 E CA 0.781 57.160 56.400 -0.034 0.000 0.860 332 E CB -0.763 28.919 29.700 -0.030 0.000 0.811 332 E HN 0.331 nan 8.360 nan 0.000 0.502 333 Q N 0.560 120.340 119.800 -0.035 0.000 2.119 333 Q HA -0.025 -0.947 4.340 -8.770 0.000 0.201 333 Q C 2.362 178.343 176.000 -0.033 0.000 0.972 333 Q CA 0.848 56.633 55.803 -0.031 0.000 0.847 333 Q CB 0.043 28.770 28.738 -0.018 0.000 0.903 333 Q HN 0.335 nan 8.270 nan 0.000 0.433 334 L N -0.198 121.002 121.223 -0.038 0.000 2.109 334 L HA -0.094 -1.016 4.340 -8.770 0.000 0.207 334 L C 2.429 179.281 176.870 -0.029 0.000 1.086 334 L CA 0.961 55.781 54.840 -0.034 0.000 0.760 334 L CB -0.380 41.653 42.059 -0.043 0.000 0.910 334 L HN 0.225 nan 8.230 nan 0.000 0.437 335 A N -0.886 121.914 122.820 -0.034 0.000 1.968 335 A HA -0.051 -0.993 4.320 -8.770 0.000 0.217 335 A C 2.220 179.781 177.584 -0.038 0.000 1.169 335 A CA 1.219 53.236 52.037 -0.033 0.000 0.638 335 A CB -0.342 18.639 19.000 -0.032 0.000 0.812 335 A HN 0.193 nan 8.150 nan 0.000 0.446 336 V N -0.589 119.296 119.914 -0.048 0.000 2.492 336 V HA -0.034 -1.176 4.120 -8.770 0.000 0.241 336 V C 2.475 178.522 176.094 -0.079 0.000 1.041 336 V CA 1.255 63.514 62.300 -0.068 0.000 1.057 336 V CB -0.526 31.247 31.823 -0.084 0.000 0.711 336 V HN 0.383 nan 8.190 nan 0.000 0.468 337 R N -0.096 120.364 120.500 -0.068 0.000 2.173 337 R HA 0.285 -0.637 4.340 -8.770 0.000 0.208 337 R C 0.621 176.923 176.300 0.003 0.000 1.035 337 R CA 0.640 56.711 56.100 -0.048 0.000 1.004 337 R CB -0.029 30.262 30.300 -0.015 0.000 0.917 337 R HN 0.371 nan 8.270 nan 0.000 0.462 338 L N 1.398 122.620 121.223 -0.001 0.000 2.625 338 L HA 0.282 -0.641 4.340 -8.770 0.000 0.255 338 L C -1.980 174.890 176.870 -0.001 0.000 1.493 338 L CA -1.144 53.703 54.840 0.012 0.000 0.796 338 L CB 1.983 44.053 42.059 0.019 0.000 1.064 338 L HN -0.137 nan 8.230 nan 0.000 0.516 339 P HA 0.003 nan 4.420 nan 0.000 0.224 339 P C 1.601 178.893 177.300 -0.012 0.000 1.157 339 P CA 0.680 63.770 63.100 -0.017 0.000 0.799 339 P CB 0.425 32.108 31.700 -0.028 0.000 0.809 340 G N 1.190 109.984 108.800 -0.010 0.000 2.394 340 G HA2 -0.193 -1.495 3.960 -8.770 0.000 0.215 340 G HA3 -0.193 -1.495 3.960 -8.770 0.000 0.215 340 G C 1.442 176.351 174.900 0.015 0.000 1.165 340 G CA 0.773 45.868 45.100 -0.008 0.000 0.784 340 G HN 0.398 nan 8.290 nan 0.000 0.535 341 I N -1.404 119.179 120.570 0.021 0.000 2.546 341 I HA 0.047 -1.046 4.170 -8.770 0.000 0.255 341 I C 2.469 178.609 176.117 0.037 0.000 1.163 341 I CA 1.407 62.727 61.300 0.034 0.000 1.457 341 I CB -0.239 37.780 38.000 0.032 0.000 1.092 341 I HN -0.057 nan 8.210 nan 0.000 0.434 342 S N 0.961 116.674 115.700 0.022 0.000 2.399 342 S HA -0.145 -0.937 4.470 -8.770 0.000 0.231 342 S C 1.863 176.478 174.600 0.024 0.000 1.022 342 S CA 1.735 59.945 58.200 0.018 0.000 0.983 342 S CB -0.317 62.884 63.200 0.002 0.000 0.803 342 S HN 0.625 nan 8.310 nan 0.000 0.480 343 E N 0.410 120.626 120.200 0.027 0.000 2.102 343 E HA -0.052 -0.964 4.350 -8.770 0.000 0.190 343 E C 2.340 178.980 176.600 0.066 0.000 0.971 343 E CA 1.364 57.781 56.400 0.028 0.000 0.821 343 E CB -0.210 29.496 29.700 0.011 0.000 0.777 343 E HN 0.645 nan 8.360 nan 0.000 0.460 344 T N -0.732 113.889 114.554 0.111 0.000 2.995 344 T HA 0.075 -0.837 4.350 -8.770 0.000 0.269 344 T C 2.001 176.864 174.700 0.272 0.000 1.091 344 T CA 0.767 63.014 62.100 0.244 0.000 1.128 344 T CB 0.033 69.029 68.868 0.214 0.000 0.891 344 T HN 0.106 nan 8.240 nan 0.000 0.492 345 A N 1.265 124.174 122.820 0.148 0.000 1.970 345 A HA 0.254 -0.688 4.320 -8.770 0.000 0.216 345 A C 2.263 179.913 177.584 0.110 0.000 1.170 345 A CA 1.448 53.562 52.037 0.128 0.000 0.645 345 A CB -0.604 18.445 19.000 0.083 0.000 0.816 345 A HN 0.466 nan 8.150 nan 0.000 0.447 346 M N -0.085 119.559 119.600 0.073 0.000 2.200 346 M HA 0.098 -0.684 4.480 -8.770 0.000 0.265 346 M C 1.692 177.998 176.300 0.009 0.000 1.066 346 M CA 1.441 56.763 55.300 0.037 0.000 1.127 346 M CB -0.566 32.043 32.600 0.015 0.000 1.379 346 M HN 0.351 nan 8.290 nan 0.000 0.420 347 I N -1.019 119.543 120.570 -0.013 0.000 2.163 347 I HA -0.245 -1.337 4.170 -8.770 0.000 0.240 347 I C 1.649 177.617 176.117 -0.248 0.000 1.081 347 I CA 1.331 62.525 61.300 -0.176 0.000 1.353 347 I CB -0.339 37.482 38.000 -0.299 0.000 1.054 347 I HN 0.183 nan 8.210 nan 0.000 0.407 348 F N 0.125 120.084 119.950 0.015 0.000 2.188 348 F HA 0.112 -0.622 4.527 -8.769 0.000 0.289 348 F C 2.455 178.272 175.800 0.027 0.000 1.082 348 F CA 0.983 58.993 58.000 0.017 0.000 1.282 348 F CB -0.596 38.412 39.000 0.013 0.000 1.060 348 F HN -0.112 nan 8.300 nan 0.000 0.493 349 A N -0.248 122.707 122.820 0.226 0.000 2.169 349 A HA 0.368 -0.574 4.320 -8.770 0.000 0.212 349 A C 1.807 179.454 177.584 0.105 0.000 1.153 349 A CA 0.767 52.895 52.037 0.152 0.000 0.756 349 A CB -1.205 17.876 19.000 0.135 0.000 0.813 349 A HN 0.626 nan 8.150 nan 0.000 0.471 350 G N -0.948 107.899 108.800 0.078 0.000 2.246 350 G HA2 -0.134 -1.436 3.960 -8.770 0.000 0.273 350 G HA3 -0.134 -1.436 3.960 -8.770 0.000 0.273 350 G C -0.111 174.818 174.900 0.047 0.000 1.055 350 G CA 0.344 45.472 45.100 0.048 0.000 0.851 350 G HN 0.922 nan 8.290 nan 0.000 0.500 351 V N 0.418 120.364 119.914 0.053 0.000 2.487 351 V HA 0.417 -0.725 4.120 -8.770 0.000 0.298 351 V C 0.022 176.138 176.094 0.035 0.000 1.028 351 V CA -1.196 61.131 62.300 0.045 0.000 0.860 351 V CB 1.973 33.829 31.823 0.056 0.000 0.991 351 V HN 0.388 nan 8.190 nan 0.000 0.427 352 D N 3.080 123.496 120.400 0.026 0.000 2.343 352 D HA 0.096 -0.526 4.640 -8.770 0.000 0.255 352 D C 1.187 177.500 176.300 0.022 0.000 1.187 352 D CA -0.041 53.971 54.000 0.020 0.000 0.875 352 D CB 2.108 42.918 40.800 0.016 0.000 1.136 352 D HN 0.426 nan 8.370 nan 0.000 0.469 353 V N 2.236 122.160 119.914 0.016 0.000 2.515 353 V HA -0.121 -1.263 4.120 -8.770 0.000 0.250 353 V C 1.982 178.078 176.094 0.003 0.000 1.058 353 V CA 1.710 64.019 62.300 0.013 0.000 1.064 353 V CB -0.989 30.839 31.823 0.008 0.000 0.675 353 V HN 0.580 nan 8.190 nan 0.000 0.461 354 T N -1.389 113.157 114.554 -0.013 0.000 3.107 354 T HA 0.142 -0.770 4.350 -8.770 0.000 0.249 354 T C 1.497 176.168 174.700 -0.047 0.000 1.096 354 T CA 0.462 62.532 62.100 -0.049 0.000 1.012 354 T CB -0.201 68.626 68.868 -0.068 0.000 0.977 354 T HN 0.496 nan 8.240 nan 0.000 0.527 355 K N 0.192 120.619 120.400 0.046 0.000 2.424 355 K HA 0.305 -0.637 4.320 -8.770 0.000 0.198 355 K C 0.305 177.053 176.600 0.246 0.000 1.190 355 K CA 0.380 56.756 56.287 0.148 0.000 0.935 355 K CB 1.080 33.624 32.500 0.074 0.000 1.087 355 K HN 0.402 nan 8.250 nan 0.000 0.524 356 E N 1.053 121.314 120.200 0.101 0.000 2.359 356 E HA 0.350 -0.562 4.350 -8.770 0.000 0.266 356 E C -2.751 173.830 176.600 -0.032 0.000 0.920 356 E CA -2.231 54.168 56.400 -0.002 0.000 0.788 356 E CB 1.963 31.645 29.700 -0.030 0.000 1.279 356 E HN -0.148 nan 8.360 nan 0.000 0.438 357 P HA 0.213 nan 4.420 nan 0.000 0.281 357 P C -0.765 176.513 177.300 -0.037 0.000 1.249 357 P CA -0.494 62.524 63.100 -0.136 0.000 0.810 357 P CB 0.595 32.078 31.700 -0.361 0.000 1.008 358 I N 3.005 123.635 120.570 0.101 0.000 2.371 358 I HA 0.216 -0.876 4.170 -8.770 0.000 0.290 358 I C -2.234 174.047 176.117 0.274 0.000 1.028 358 I CA -3.176 58.215 61.300 0.151 0.000 1.345 358 I CB 0.407 38.474 38.000 0.112 0.000 1.407 358 I HN 0.096 nan 8.210 nan 0.000 0.501 359 P HA 0.128 nan 4.420 nan 0.000 0.274 359 P C -0.393 176.927 177.300 0.033 0.000 1.291 359 P CA -0.020 63.093 63.100 0.021 0.000 0.815 359 P CB 0.423 31.884 31.700 -0.399 0.000 0.897 360 V N 2.476 122.460 119.914 0.117 0.000 2.815 360 V HA 0.790 -0.352 4.120 -8.770 0.000 0.314 360 V C -0.718 175.467 176.094 0.152 0.000 1.064 360 V CA -1.211 61.169 62.300 0.133 0.000 0.952 360 V CB 2.143 34.049 31.823 0.138 0.000 1.020 360 V HN 0.248 nan 8.190 nan 0.000 0.439 361 L N 3.307 124.620 121.223 0.149 0.000 2.472 361 L HA 0.765 -0.157 4.340 -8.770 0.000 0.260 361 L C -2.896 174.052 176.870 0.130 0.000 0.963 361 L CA -1.644 53.286 54.840 0.149 0.000 0.829 361 L CB 2.768 44.950 42.059 0.205 0.000 1.348 361 L HN 0.509 nan 8.230 nan 0.000 0.408 362 P HA 0.236 nan 4.420 nan 0.000 0.261 362 P C -1.247 176.185 177.300 0.222 0.000 1.203 362 P CA 0.111 63.292 63.100 0.136 0.000 0.767 362 P CB 0.347 32.082 31.700 0.058 0.000 0.785 363 T N -0.509 114.182 114.554 0.229 0.000 2.906 363 T HA 0.433 -0.479 4.350 -8.770 0.000 0.295 363 T C -0.206 174.493 174.700 -0.001 0.000 1.075 363 T CA -0.929 61.265 62.100 0.157 0.000 1.005 363 T CB 0.589 69.496 68.868 0.065 0.000 1.136 363 T HN -0.059 nan 8.240 nan 0.000 0.498 364 V N 2.337 122.083 119.914 -0.280 0.000 2.599 364 V HA 0.201 -0.941 4.120 -8.770 0.000 0.300 364 V C 0.957 176.925 176.094 -0.209 0.000 1.034 364 V CA 0.709 62.670 62.300 -0.566 0.000 1.115 364 V CB 0.255 31.648 31.823 -0.717 0.000 0.934 364 V HN 1.165 nan 8.190 nan 0.000 0.485 365 H N 3.746 122.652 119.070 -0.274 0.000 2.286 365 H HA 0.313 -0.394 4.556 -8.772 0.000 0.163 365 H C -0.445 174.843 175.328 -0.068 0.000 1.015 365 H CA 0.080 56.063 56.048 -0.107 0.000 1.107 365 H CB 0.357 30.127 29.762 0.014 0.000 1.050 365 H HN 0.529 nan 8.280 nan 0.000 0.360 366 Y N 1.127 121.347 120.300 -0.134 0.000 2.509 366 Y HA 0.413 -0.301 4.550 -8.773 0.000 0.341 366 Y C -1.128 174.636 175.900 -0.227 0.000 1.038 366 Y CA -1.098 56.881 58.100 -0.202 0.000 1.089 366 Y CB 1.389 39.817 38.460 -0.054 0.000 1.241 366 Y HN 0.281 nan 8.280 nan 0.000 0.468 367 N N 5.853 124.005 118.700 -0.913 0.000 2.609 367 N HA 0.165 -0.357 4.740 -8.770 0.000 0.234 367 N C 0.602 175.810 175.510 -0.504 0.000 1.001 367 N CA -0.422 52.218 53.050 -0.683 0.000 0.926 367 N CB 0.860 38.772 38.487 -0.958 0.000 1.130 367 N HN 0.621 nan 8.380 nan 0.000 0.510 368 M N -0.061 119.526 119.600 -0.021 0.000 2.106 368 M HA -0.059 -0.842 4.480 -8.770 0.000 0.259 368 M C 1.387 177.779 176.300 0.153 0.000 1.068 368 M CA 1.083 56.507 55.300 0.206 0.000 1.100 368 M CB -1.178 31.568 32.600 0.242 0.000 1.351 368 M HN 0.509 nan 8.290 nan 0.000 0.404 369 G N -0.961 107.925 108.800 0.145 0.000 2.535 369 G HA2 0.514 -0.788 3.960 -8.770 0.000 0.282 369 G HA3 0.514 -0.788 3.960 -8.770 0.000 0.282 369 G C 0.213 175.172 174.900 0.098 0.000 1.350 369 G CA 0.108 45.297 45.100 0.148 0.000 1.039 369 G HN 0.616 nan 8.290 nan 0.000 0.509 370 G N -1.761 107.084 108.800 0.075 0.000 2.373 370 G HA2 0.227 -1.075 3.960 -8.770 0.000 0.250 370 G HA3 0.227 -1.075 3.960 -8.770 0.000 0.250 370 G C -0.882 174.000 174.900 -0.029 0.000 1.304 370 G CA -0.580 44.541 45.100 0.035 0.000 0.948 370 G HN 0.776 nan 8.290 nan 0.000 0.474 371 I N 2.645 123.188 120.570 -0.046 0.000 2.533 371 I HA 0.275 -0.817 4.170 -8.770 0.000 0.284 371 I C -2.041 174.025 176.117 -0.085 0.000 1.109 371 I CA -1.435 59.822 61.300 -0.072 0.000 1.412 371 I CB 1.198 39.160 38.000 -0.063 0.000 1.396 371 I HN 0.075 nan 8.210 nan 0.000 0.543 372 P HA 0.076 nan 4.420 nan 0.000 0.263 372 P C -0.871 176.370 177.300 -0.097 0.000 1.195 372 P CA 0.277 63.314 63.100 -0.106 0.000 0.762 372 P CB 0.529 32.172 31.700 -0.094 0.000 0.799 373 T N 1.789 116.279 114.554 -0.106 0.000 2.923 373 T HA 0.417 -0.495 4.350 -8.770 0.000 0.311 373 T C -0.256 174.401 174.700 -0.071 0.000 1.183 373 T CA -0.860 61.183 62.100 -0.095 0.000 1.020 373 T CB 1.240 70.043 68.868 -0.108 0.000 1.165 373 T HN 0.316 nan 8.240 nan 0.000 0.482 374 N N 0.326 118.997 118.700 -0.049 0.000 2.538 374 N HA 0.258 -0.264 4.740 -8.770 0.000 0.292 374 N C 1.003 176.554 175.510 0.068 0.000 1.262 374 N CA -1.042 52.013 53.050 0.008 0.000 0.976 374 N CB 0.028 38.491 38.487 -0.040 0.000 1.161 374 N HN 0.801 nan 8.380 nan 0.000 0.598 375 Y N -2.115 118.236 120.300 0.085 0.000 2.352 375 Y HA 0.206 -0.507 4.550 -8.772 0.000 0.292 375 Y C 1.352 177.295 175.900 0.071 0.000 1.136 375 Y CA 0.843 59.053 58.100 0.184 0.000 1.227 375 Y CB -0.094 38.410 38.460 0.074 0.000 0.991 375 Y HN 0.207 nan 8.280 nan 0.000 0.545 376 K N 0.625 120.616 120.400 -0.681 0.000 2.366 376 K HA 0.123 -0.819 4.320 -8.770 0.000 0.198 376 K C 1.581 178.139 176.600 -0.071 0.000 1.044 376 K CA 0.945 56.930 56.287 -0.503 0.000 0.973 376 K CB -0.296 31.857 32.500 -0.578 0.000 0.767 376 K HN 0.717 nan 8.250 nan 0.000 0.475 377 G N 1.141 109.963 108.800 0.036 0.000 2.184 377 G HA2 -0.232 -1.535 3.960 -8.770 0.000 0.206 377 G HA3 -0.232 -1.535 3.960 -8.770 0.000 0.206 377 G C -0.227 174.759 174.900 0.144 0.000 0.995 377 G CA -0.304 44.899 45.100 0.172 0.000 0.651 377 G HN 0.353 nan 8.290 nan 0.000 0.511 378 Q N 0.504 120.269 119.800 -0.058 0.000 2.304 378 Q HA 0.505 -0.417 4.340 -8.770 0.000 0.260 378 Q C 0.470 176.331 176.000 -0.232 0.000 0.965 378 Q CA -0.359 55.236 55.803 -0.346 0.000 0.898 378 Q CB 2.100 30.635 28.738 -0.337 0.000 1.196 378 Q HN 0.165 nan 8.270 nan 0.000 0.402 379 V N 4.749 124.503 119.914 -0.267 0.000 2.572 379 V HA 0.071 -1.072 4.120 -8.770 0.000 0.291 379 V C 0.093 176.107 176.094 -0.132 0.000 1.039 379 V CA 0.079 62.283 62.300 -0.161 0.000 1.055 379 V CB 0.218 31.957 31.823 -0.139 0.000 0.969 379 V HN 0.567 nan 8.190 nan 0.000 0.482 380 L N 6.704 127.875 121.223 -0.086 0.000 2.309 380 L HA 0.656 -0.266 4.340 -8.770 0.000 0.282 380 L C 0.397 177.261 176.870 -0.010 0.000 1.036 380 L CA -0.590 54.223 54.840 -0.046 0.000 0.806 380 L CB 1.343 43.390 42.059 -0.021 0.000 1.220 380 L HN 0.734 nan 8.230 nan 0.000 0.429 381 R N -0.059 120.452 120.500 0.019 0.000 2.782 381 R HA 0.553 -0.369 4.340 -8.770 0.000 0.258 381 R C -0.916 175.476 176.300 0.153 0.000 1.055 381 R CA -0.957 55.192 56.100 0.082 0.000 1.065 381 R CB 0.999 31.338 30.300 0.066 0.000 1.172 381 R HN 0.428 nan 8.270 nan 0.000 0.510 382 H N 0.197 119.327 119.070 0.100 0.000 2.673 382 H HA 0.388 -0.314 4.556 -8.764 0.000 0.293 382 H C -1.434 173.936 175.328 0.070 0.000 1.065 382 H CA -0.430 55.678 56.048 0.100 0.000 1.236 382 H CB 1.134 30.992 29.762 0.161 0.000 1.389 382 H HN 0.339 nan 8.280 nan 0.000 0.481 383 V N 5.836 125.667 119.914 -0.138 0.000 2.378 383 V HA 0.152 -0.990 4.120 -8.770 0.000 0.288 383 V C 0.656 176.649 176.094 -0.168 0.000 1.016 383 V CA -0.868 61.369 62.300 -0.106 0.000 0.840 383 V CB 1.184 32.967 31.823 -0.066 0.000 0.994 383 V HN 1.109 nan 8.190 nan 0.000 0.431 384 N N 4.063 122.696 118.700 -0.111 0.000 2.725 384 N HA -0.219 -0.741 4.740 -8.770 0.000 0.251 384 N C 1.044 176.472 175.510 -0.136 0.000 1.031 384 N CA 0.705 53.701 53.050 -0.091 0.000 0.720 384 N CB -0.563 37.882 38.487 -0.071 0.000 0.930 384 N HN 1.494 nan 8.380 nan 0.000 0.543 385 G N -0.629 108.054 108.800 -0.195 0.000 2.187 385 G HA2 -0.332 -1.634 3.960 -8.770 0.000 0.261 385 G HA3 -0.332 -1.634 3.960 -8.770 0.000 0.261 385 G C -0.044 174.634 174.900 -0.371 0.000 1.000 385 G CA 1.218 46.203 45.100 -0.192 0.000 0.718 385 G HN 0.669 nan 8.290 nan 0.000 0.519 386 Q N -0.766 118.735 119.800 -0.499 0.000 2.552 386 Q HA 0.577 -0.345 4.340 -8.770 0.000 0.289 386 Q C -1.366 174.453 176.000 -0.302 0.000 1.097 386 Q CA -1.022 54.602 55.803 -0.298 0.000 0.812 386 Q CB 1.258 29.899 28.738 -0.161 0.000 1.460 386 Q HN 0.174 nan 8.270 nan 0.000 0.452 387 D N 1.626 121.961 120.400 -0.108 0.000 2.232 387 D HA 0.211 -0.411 4.640 -8.770 0.000 0.242 387 D C -1.104 175.173 176.300 -0.039 0.000 1.093 387 D CA -0.147 53.835 54.000 -0.029 0.000 0.845 387 D CB 1.197 42.014 40.800 0.029 0.000 1.124 387 D HN 0.207 nan 8.370 nan 0.000 0.467 388 Q N 1.465 121.247 119.800 -0.030 0.000 2.356 388 Q HA 0.465 -0.457 4.340 -8.770 0.000 0.270 388 Q C -1.324 174.650 176.000 -0.044 0.000 1.058 388 Q CA -0.927 54.853 55.803 -0.038 0.000 0.802 388 Q CB 1.944 30.659 28.738 -0.038 0.000 1.303 388 Q HN 0.217 nan 8.270 nan 0.000 0.444 389 V N 3.603 123.480 119.914 -0.062 0.000 2.508 389 V HA 0.129 -1.013 4.120 -8.770 0.000 0.281 389 V C 0.014 176.049 176.094 -0.099 0.000 1.041 389 V CA -0.426 61.816 62.300 -0.096 0.000 1.016 389 V CB 1.079 32.835 31.823 -0.110 0.000 0.984 389 V HN 0.562 nan 8.190 nan 0.000 0.478 390 V N 8.378 128.218 119.914 -0.123 0.000 2.427 390 V HA 0.197 -0.945 4.120 -8.770 0.000 0.268 390 V C -2.035 173.967 176.094 -0.153 0.000 1.046 390 V CA -1.507 60.725 62.300 -0.113 0.000 0.970 390 V CB 0.846 32.608 31.823 -0.101 0.000 1.001 390 V HN 0.787 nan 8.190 nan 0.000 0.476 391 P HA 0.256 nan 4.420 nan 0.000 0.271 391 P C 0.946 178.199 177.300 -0.079 0.000 1.220 391 P CA 0.827 63.872 63.100 -0.091 0.000 0.768 391 P CB 0.778 32.451 31.700 -0.045 0.000 0.848 392 G N 1.657 110.418 108.800 -0.066 0.000 2.155 392 G HA2 -0.233 -1.535 3.960 -8.770 0.000 0.257 392 G HA3 -0.233 -1.535 3.960 -8.770 0.000 0.257 392 G C -0.374 174.536 174.900 0.017 0.000 0.983 392 G CA -0.004 45.112 45.100 0.027 0.000 0.676 392 G HN 0.579 nan 8.290 nan 0.000 0.528 393 L N 0.135 121.263 121.223 -0.158 0.000 2.356 393 L HA 0.883 -0.039 4.340 -8.770 0.000 0.277 393 L C -0.929 175.740 176.870 -0.336 0.000 0.996 393 L CA -2.081 52.681 54.840 -0.130 0.000 0.822 393 L CB 1.224 43.216 42.059 -0.113 0.000 1.256 393 L HN 0.114 nan 8.230 nan 0.000 0.413 394 Y N 3.111 123.372 120.300 -0.065 0.000 2.576 394 Y HA 0.877 0.165 4.550 -8.770 0.000 0.346 394 Y C -0.101 175.763 175.900 -0.059 0.000 1.018 394 Y CA -0.566 57.494 58.100 -0.067 0.000 1.050 394 Y CB 2.397 40.810 38.460 -0.078 0.000 1.280 394 Y HN 0.754 nan 8.280 nan 0.000 0.474 395 A N 1.029 123.910 122.820 0.103 0.000 2.486 395 A HA 0.870 -0.072 4.320 -8.770 0.000 0.300 395 A C -1.220 176.391 177.584 0.044 0.000 1.048 395 A CA -0.647 51.414 52.037 0.040 0.000 0.696 395 A CB 0.624 19.617 19.000 -0.012 0.000 1.278 395 A HN 1.138 nan 8.150 nan 0.000 0.405 396 C N -0.167 119.156 119.300 0.039 0.000 3.170 396 C HA 1.031 0.229 4.460 -8.770 0.000 0.319 396 C C 0.714 175.740 174.990 0.060 0.000 1.260 396 C CA 0.057 59.114 59.018 0.064 0.000 1.374 396 C CB 0.933 28.744 27.740 0.118 0.000 1.739 396 C HN 3.011 nan 8.230 nan 0.000 0.479 397 G N 1.135 109.990 108.800 0.092 0.000 2.508 397 G HA2 -0.160 -1.462 3.960 -8.770 0.000 0.220 397 G HA3 -0.160 -1.462 3.960 -8.770 0.000 0.220 397 G C 0.432 175.407 174.900 0.124 0.000 1.287 397 G CA 0.720 45.895 45.100 0.124 0.000 0.916 397 G HN 1.270 nan 8.290 nan 0.000 0.574 398 E N 0.155 120.420 120.200 0.108 0.000 2.152 398 E HA 0.120 -0.792 4.350 -8.770 0.000 0.192 398 E C 2.806 179.355 176.600 -0.085 0.000 0.983 398 E CA 1.648 58.042 56.400 -0.011 0.000 0.818 398 E CB -0.360 29.265 29.700 -0.124 0.000 0.758 398 E HN 0.964 nan 8.360 nan 0.000 0.467 399 A N 1.156 123.955 122.820 -0.035 0.000 1.972 399 A HA 0.059 -0.883 4.320 -8.770 0.000 0.219 399 A C 1.361 178.934 177.584 -0.018 0.000 1.169 399 A CA 1.206 53.229 52.037 -0.024 0.000 0.635 399 A CB -0.423 18.566 19.000 -0.019 0.000 0.810 399 A HN 0.352 nan 8.150 nan 0.000 0.446 400 A N -1.948 120.861 122.820 -0.019 0.000 2.264 400 A HA 0.493 -0.449 4.320 -8.770 0.000 0.304 400 A C -0.055 177.503 177.584 -0.043 0.000 1.100 400 A CA 0.153 52.165 52.037 -0.042 0.000 0.839 400 A CB 0.498 19.461 19.000 -0.062 0.000 1.121 400 A HN 0.864 nan 8.150 nan 0.000 0.496 401 C N 1.413 120.669 119.300 -0.074 0.000 2.978 401 C HA 0.601 -0.201 4.460 -8.770 0.000 0.274 401 C C 1.185 176.084 174.990 -0.151 0.000 1.087 401 C CA -0.041 58.931 59.018 -0.077 0.000 1.453 401 C CB -0.677 27.040 27.740 -0.038 0.000 1.838 401 C HN 1.031 nan 8.230 nan 0.000 0.470 402 A N 2.283 124.965 122.820 -0.230 0.000 2.235 402 A HA 0.248 -0.695 4.320 -8.770 0.000 0.208 402 A C 1.363 178.840 177.584 -0.178 0.000 1.172 402 A CA 1.054 52.947 52.037 -0.240 0.000 0.786 402 A CB -0.360 18.383 19.000 -0.427 0.000 0.804 402 A HN 1.545 nan 8.150 nan 0.000 0.479 403 S N -1.887 113.720 115.700 -0.156 0.000 3.631 403 S HA -0.150 -0.943 4.470 -8.770 0.000 0.366 403 S C 0.821 175.374 174.600 -0.078 0.000 0.993 403 S CA 0.606 58.761 58.200 -0.073 0.000 1.167 403 S CB -1.858 61.318 63.200 -0.041 0.000 0.909 403 S HN 0.868 nan 8.310 nan 0.000 0.478 404 V N 0.607 120.391 119.914 -0.218 0.000 3.217 404 V HA -0.070 -1.212 4.120 -8.770 0.000 0.264 404 V C 1.712 177.592 176.094 -0.356 0.000 1.135 404 V CA 1.566 63.715 62.300 -0.253 0.000 1.142 404 V CB -0.184 31.476 31.823 -0.272 0.000 0.754 404 V HN 0.786 nan 8.190 nan 0.000 0.484 405 H N -0.889 118.175 119.070 -0.011 0.000 2.615 405 H HA 0.380 -0.328 4.556 -8.772 0.000 0.275 405 H C 1.625 176.916 175.328 -0.061 0.000 0.981 405 H CA 0.749 56.778 56.048 -0.031 0.000 1.252 405 H CB 0.393 30.166 29.762 0.020 0.000 1.447 405 H HN 0.456 nan 8.280 nan 0.000 0.498 406 G N 1.296 110.122 108.800 0.045 0.000 2.561 406 G HA2 -0.407 -1.709 3.960 -8.770 0.000 0.289 406 G HA3 -0.407 -1.709 3.960 -8.770 0.000 0.289 406 G C 1.395 176.159 174.900 -0.225 0.000 1.169 406 G CA 1.540 46.610 45.100 -0.050 0.000 0.980 406 G HN 0.593 nan 8.290 nan 0.000 0.550 407 A N -0.002 122.625 122.820 -0.321 0.000 1.975 407 A HA 0.352 -0.590 4.320 -8.770 0.000 0.215 407 A C 1.140 178.676 177.584 -0.080 0.000 1.170 407 A CA 1.954 53.679 52.037 -0.521 0.000 0.656 407 A CB -0.115 18.713 19.000 -0.287 0.000 0.821 407 A HN 1.187 nan 8.150 nan 0.000 0.449 408 N N -0.295 118.395 118.700 -0.017 0.000 2.454 408 N HA 0.180 -0.342 4.740 -8.770 0.000 0.291 408 N C -1.169 174.358 175.510 0.029 0.000 1.079 408 N CA -0.509 52.570 53.050 0.048 0.000 0.893 408 N CB 1.395 39.916 38.487 0.057 0.000 1.512 408 N HN 0.315 nan 8.380 nan 0.000 0.497 409 R N 3.972 124.488 120.500 0.026 0.000 2.389 409 R HA 0.220 -0.702 4.340 -8.770 0.000 0.295 409 R C -0.258 176.020 176.300 -0.036 0.000 1.075 409 R CA -0.330 55.745 56.100 -0.042 0.000 1.005 409 R CB 0.659 30.726 30.300 -0.387 0.000 0.987 409 R HN 0.564 nan 8.270 nan 0.000 0.452 410 L N 3.950 125.174 121.223 0.001 0.000 2.426 410 L HA 0.293 -0.629 4.340 -8.770 0.000 0.271 410 L C 0.478 177.367 176.870 0.032 0.000 1.169 410 L CA 0.152 54.998 54.840 0.011 0.000 0.836 410 L CB 0.844 42.914 42.059 0.017 0.000 1.112 410 L HN 0.872 nan 8.230 nan 0.000 0.465 411 G N 3.466 112.336 108.800 0.117 0.000 2.305 411 G HA2 0.344 -0.959 3.960 -8.770 0.000 0.243 411 G HA3 0.344 -0.959 3.960 -8.770 0.000 0.243 411 G C 0.713 175.606 174.900 -0.011 0.000 1.288 411 G CA 0.279 45.533 45.100 0.258 0.000 0.901 411 G HN 1.621 nan 8.290 nan 0.000 0.516 412 A N 2.040 124.760 122.820 -0.166 0.000 3.028 412 A HA -0.176 -1.118 4.320 -8.770 0.000 0.248 412 A C 1.656 179.160 177.584 -0.132 0.000 1.316 412 A CA 1.156 52.986 52.037 -0.345 0.000 1.003 412 A CB -1.803 16.677 19.000 -0.867 0.000 1.148 412 A HN 0.635 nan 8.150 nan 0.000 0.828 413 N N -0.528 118.147 118.700 -0.041 0.000 2.405 413 N HA 0.072 -0.450 4.740 -8.770 0.000 0.175 413 N C 1.739 177.330 175.510 0.134 0.000 1.051 413 N CA 1.210 54.312 53.050 0.086 0.000 0.899 413 N CB 0.060 38.645 38.487 0.164 0.000 1.000 413 N HN 0.630 nan 8.380 nan 0.000 0.451 414 S N 0.294 115.989 115.700 -0.009 0.000 2.402 414 S HA 0.103 -0.689 4.470 -8.770 0.000 0.229 414 S C 1.799 176.470 174.600 0.118 0.000 1.021 414 S CA 0.552 58.766 58.200 0.023 0.000 0.974 414 S CB -0.078 62.985 63.200 -0.227 0.000 0.800 414 S HN 0.224 nan 8.310 nan 0.000 0.484 415 L N 0.643 121.909 121.223 0.071 0.000 2.141 415 L HA -0.041 -0.963 4.340 -8.770 0.000 0.209 415 L C 2.383 179.311 176.870 0.097 0.000 1.094 415 L CA 0.624 55.513 54.840 0.081 0.000 0.763 415 L CB -0.461 41.628 42.059 0.050 0.000 0.908 415 L HN 0.346 nan 8.230 nan 0.000 0.437 416 L N 0.614 121.897 121.223 0.100 0.000 2.027 416 L HA -0.235 -1.157 4.340 -8.770 0.000 0.206 416 L C 2.134 179.099 176.870 0.158 0.000 1.074 416 L CA 2.107 57.007 54.840 0.100 0.000 0.745 416 L CB -0.588 41.537 42.059 0.110 0.000 0.898 416 L HN 0.260 nan 8.230 nan 0.000 0.433 417 D N -0.999 119.554 120.400 0.254 0.000 2.158 417 D HA -0.247 -0.869 4.640 -8.770 0.000 0.197 417 D C 2.018 178.549 176.300 0.385 0.000 0.995 417 D CA 1.506 55.758 54.000 0.419 0.000 0.846 417 D CB -0.037 41.002 40.800 0.398 0.000 0.941 417 D HN 0.242 nan 8.370 nan 0.000 0.456 418 L N -0.147 121.221 121.223 0.242 0.000 1.988 418 L HA -0.084 -1.006 4.340 -8.770 0.000 0.207 418 L C 2.668 179.624 176.870 0.144 0.000 1.071 418 L CA 1.085 56.035 54.840 0.184 0.000 0.744 418 L CB -0.905 41.239 42.059 0.140 0.000 0.893 418 L HN 0.071 nan 8.230 nan 0.000 0.433 419 V N -1.720 118.255 119.914 0.101 0.000 2.453 419 V HA -0.171 -1.313 4.120 -8.770 0.000 0.247 419 V C 2.353 178.443 176.094 -0.007 0.000 1.048 419 V CA 1.008 63.334 62.300 0.043 0.000 1.049 419 V CB -0.231 31.607 31.823 0.024 0.000 0.672 419 V HN 0.207 nan 8.190 nan 0.000 0.457 420 V N -0.576 119.321 119.914 -0.030 0.000 2.270 420 V HA -0.185 -1.327 4.120 -8.770 0.000 0.245 420 V C 2.134 178.135 176.094 -0.154 0.000 1.043 420 V CA 2.164 64.351 62.300 -0.189 0.000 1.014 420 V CB -0.655 30.945 31.823 -0.371 0.000 0.645 420 V HN 0.469 nan 8.190 nan 0.000 0.447 421 F N 0.945 120.945 119.950 0.084 0.000 2.456 421 F HA 0.122 -0.611 4.527 -8.768 0.000 0.298 421 F C 2.278 178.101 175.800 0.039 0.000 1.104 421 F CA 0.988 59.050 58.000 0.103 0.000 1.435 421 F CB -0.785 38.275 39.000 0.101 0.000 1.078 421 F HN 0.197 nan 8.300 nan 0.000 0.546 422 G N -0.042 108.851 108.800 0.155 0.000 2.394 422 G HA2 -0.226 -1.528 3.960 -8.770 0.000 0.215 422 G HA3 -0.226 -1.528 3.960 -8.770 0.000 0.215 422 G C 1.746 176.613 174.900 -0.054 0.000 1.165 422 G CA 0.427 45.549 45.100 0.035 0.000 0.784 422 G HN 0.242 nan 8.290 nan 0.000 0.535 423 R N 0.515 120.981 120.500 -0.057 0.000 2.092 423 R HA 0.084 -0.839 4.340 -8.770 0.000 0.231 423 R C 2.785 179.048 176.300 -0.062 0.000 1.119 423 R CA 1.340 57.383 56.100 -0.096 0.000 0.970 423 R CB -0.323 29.926 30.300 -0.085 0.000 0.864 423 R HN 0.270 nan 8.270 nan 0.000 0.440 424 A N 0.371 123.197 122.820 0.010 0.000 1.902 424 A HA -0.168 -1.111 4.320 -8.770 0.000 0.217 424 A C 2.420 179.971 177.584 -0.057 0.000 1.181 424 A CA 1.515 53.576 52.037 0.039 0.000 0.623 424 A CB -0.881 18.200 19.000 0.135 0.000 0.818 424 A HN 0.572 nan 8.150 nan 0.000 0.443 425 C N -1.070 118.187 119.300 -0.072 0.000 2.425 425 C HA 0.063 -0.739 4.460 -8.770 0.000 0.277 425 C C 3.302 178.048 174.990 -0.407 0.000 1.280 425 C CA 0.767 59.645 59.018 -0.233 0.000 1.744 425 C CB -1.292 26.350 27.740 -0.164 0.000 1.989 425 C HN 0.702 nan 8.230 nan 0.000 0.491 426 A N -0.021 122.617 122.820 -0.304 0.000 1.930 426 A HA -0.058 -1.000 4.320 -8.770 0.000 0.217 426 A C 2.055 179.467 177.584 -0.286 0.000 1.175 426 A CA 1.354 53.188 52.037 -0.338 0.000 0.627 426 A CB -0.462 18.363 19.000 -0.291 0.000 0.815 426 A HN 0.611 nan 8.150 nan 0.000 0.443 427 L N -0.941 120.167 121.223 -0.191 0.000 2.179 427 L HA -0.054 -0.976 4.340 -8.770 0.000 0.208 427 L C 2.679 179.470 176.870 -0.131 0.000 1.096 427 L CA 1.075 55.843 54.840 -0.119 0.000 0.779 427 L CB -0.175 41.851 42.059 -0.054 0.000 0.922 427 L HN 0.264 nan 8.230 nan 0.000 0.443 428 S N -0.176 115.416 115.700 -0.180 0.000 2.423 428 S HA -0.033 -0.825 4.470 -8.770 0.000 0.231 428 S C 1.897 176.393 174.600 -0.173 0.000 1.014 428 S CA 1.010 59.127 58.200 -0.139 0.000 0.965 428 S CB -0.105 63.061 63.200 -0.057 0.000 0.785 428 S HN 0.283 nan 8.310 nan 0.000 0.495 429 I N 1.211 121.556 120.570 -0.375 0.000 2.339 429 I HA -0.050 -1.143 4.170 -8.770 0.000 0.245 429 I C 2.630 178.623 176.117 -0.206 0.000 1.096 429 I CA 0.856 61.928 61.300 -0.379 0.000 1.408 429 I CB -0.437 37.160 38.000 -0.671 0.000 1.092 429 I HN 0.222 nan 8.210 nan 0.000 0.423 430 A N 0.493 123.199 122.820 -0.190 0.000 1.978 430 A HA -0.218 -1.160 4.320 -8.770 0.000 0.220 430 A C 2.110 179.768 177.584 0.122 0.000 1.170 430 A CA 1.785 53.897 52.037 0.125 0.000 0.636 430 A CB -0.509 18.563 19.000 0.119 0.000 0.810 430 A HN 0.472 nan 8.150 nan 0.000 0.448 431 E N -1.129 119.091 120.200 0.033 0.000 2.400 431 E HA -0.002 -0.914 4.350 -8.770 0.000 0.195 431 E C 2.012 178.636 176.600 0.039 0.000 1.012 431 E CA 0.535 56.955 56.400 0.034 0.000 0.875 431 E CB 0.109 29.815 29.700 0.009 0.000 0.859 431 E HN 0.563 nan 8.360 nan 0.000 0.498 432 S N -0.093 115.631 115.700 0.040 0.000 2.348 432 S HA -0.052 -0.844 4.470 -8.770 0.000 0.219 432 S C 0.904 175.549 174.600 0.075 0.000 1.033 432 S CA 0.951 59.184 58.200 0.054 0.000 0.974 432 S CB -0.018 63.223 63.200 0.068 0.000 0.868 432 S HN 0.461 nan 8.310 nan 0.000 0.459 433 C N 0.583 119.955 119.300 0.120 0.000 3.236 433 C HA 0.803 0.001 4.460 -8.770 0.000 0.312 433 C C -0.734 174.376 174.990 0.199 0.000 1.374 433 C CA -1.464 57.636 59.018 0.137 0.000 1.455 433 C CB 1.132 28.954 27.740 0.136 0.000 1.834 433 C HN 0.309 nan 8.230 nan 0.000 0.460 434 R N 1.378 121.932 120.500 0.091 0.000 2.486 434 R HA 0.534 -0.388 4.340 -8.770 0.000 0.286 434 R C -2.705 173.496 176.300 -0.164 0.000 0.999 434 R CA -1.800 54.277 56.100 -0.037 0.000 0.993 434 R CB 0.773 31.038 30.300 -0.059 0.000 1.084 434 R HN 0.613 nan 8.270 nan 0.000 0.487 435 P HA 0.085 nan 4.420 nan 0.000 0.268 435 P C 0.342 177.494 177.300 -0.247 0.000 1.282 435 P CA 0.440 63.160 63.100 -0.634 0.000 0.880 435 P CB 0.334 31.385 31.700 -1.083 0.000 0.971 436 G N 2.743 111.482 108.800 -0.100 0.000 3.272 436 G HA2 -0.125 -1.427 3.960 -8.770 0.000 0.219 436 G HA3 -0.125 -1.427 3.960 -8.770 0.000 0.219 436 G C -0.393 174.499 174.900 -0.014 0.000 0.952 436 G CA -0.573 44.494 45.100 -0.055 0.000 0.833 436 G HN 0.410 nan 8.290 nan 0.000 0.608 437 D N 1.762 122.167 120.400 0.010 0.000 2.450 437 D HA 0.356 -0.266 4.640 -8.770 0.000 0.247 437 D C 0.697 177.019 176.300 0.036 0.000 1.162 437 D CA 0.287 54.305 54.000 0.029 0.000 0.879 437 D CB 0.958 41.790 40.800 0.053 0.000 1.163 437 D HN 0.274 nan 8.370 nan 0.000 0.472 438 K N 1.609 122.023 120.400 0.025 0.000 2.511 438 K HA 0.018 -0.924 4.320 -8.770 0.000 0.280 438 K C -0.692 175.929 176.600 0.035 0.000 1.008 438 K CA -0.240 56.060 56.287 0.023 0.000 1.050 438 K CB 0.406 32.916 32.500 0.015 0.000 0.889 438 K HN 0.191 nan 8.250 nan 0.000 0.484 439 V N 7.822 127.758 119.914 0.036 0.000 2.479 439 V HA 0.086 -1.056 4.120 -8.770 0.000 0.281 439 V C -1.755 174.362 176.094 0.037 0.000 1.031 439 V CA -1.393 60.935 62.300 0.047 0.000 1.038 439 V CB 0.448 32.303 31.823 0.052 0.000 0.981 439 V HN 0.836 nan 8.190 nan 0.000 0.478 440 P HA 0.107 nan 4.420 nan 0.000 0.265 440 P C 0.054 177.370 177.300 0.027 0.000 1.222 440 P CA 0.038 63.155 63.100 0.029 0.000 0.767 440 P CB 0.453 32.170 31.700 0.028 0.000 0.801 441 S N 3.747 119.460 115.700 0.021 0.000 2.562 441 S HA 0.309 -0.483 4.470 -8.770 0.000 0.281 441 S C 0.152 174.763 174.600 0.018 0.000 1.333 441 S CA -0.630 57.581 58.200 0.019 0.000 1.052 441 S CB 0.459 63.668 63.200 0.014 0.000 0.884 441 S HN 0.420 nan 8.310 nan 0.000 0.506 442 I N 1.666 122.247 120.570 0.019 0.000 2.525 442 I HA 0.391 -0.701 4.170 -8.770 0.000 0.301 442 I C 0.004 176.128 176.117 0.012 0.000 0.992 442 I CA -1.216 60.093 61.300 0.016 0.000 1.162 442 I CB 1.675 39.687 38.000 0.020 0.000 1.332 442 I HN 0.877 nan 8.210 nan 0.000 0.458 443 K N 6.510 126.916 120.400 0.010 0.000 2.436 443 K HA 0.242 -0.700 4.320 -8.770 0.000 0.275 443 K C -2.228 174.377 176.600 0.008 0.000 0.999 443 K CA -0.903 55.389 56.287 0.008 0.000 0.980 443 K CB -0.059 32.445 32.500 0.006 0.000 0.919 443 K HN 0.318 nan 8.250 nan 0.000 0.484 444 P HA -0.096 nan 4.420 nan 0.000 0.228 444 P C -0.202 177.103 177.300 0.008 0.000 1.151 444 P CA 0.824 63.929 63.100 0.008 0.000 0.770 444 P CB 0.115 31.819 31.700 0.007 0.000 0.786 445 N N -0.791 117.913 118.700 0.007 0.000 2.280 445 N HA 0.122 -0.400 4.740 -8.770 0.000 0.192 445 N C 0.610 176.123 175.510 0.006 0.000 1.109 445 N CA 0.004 53.058 53.050 0.007 0.000 0.855 445 N CB 0.059 38.550 38.487 0.005 0.000 0.974 445 N HN 0.067 nan 8.380 nan 0.000 0.482 446 A N -0.060 122.764 122.820 0.007 0.000 2.386 446 A HA 0.515 -0.427 4.320 -8.770 0.000 0.248 446 A C 1.373 178.960 177.584 0.004 0.000 1.082 446 A CA 0.488 52.529 52.037 0.006 0.000 0.789 446 A CB -0.135 18.869 19.000 0.008 0.000 1.025 446 A HN 0.347 nan 8.150 nan 0.000 0.490 447 G N 0.932 109.733 108.800 0.001 0.000 2.153 447 G HA2 -0.261 -1.563 3.960 -8.770 0.000 0.252 447 G HA3 -0.261 -1.563 3.960 -8.770 0.000 0.252 447 G C 0.580 175.474 174.900 -0.009 0.000 0.994 447 G CA 1.024 46.122 45.100 -0.004 0.000 0.698 447 G HN 0.895 nan 8.290 nan 0.000 0.521 448 E N 0.192 120.390 120.200 -0.004 0.000 2.072 448 E HA 0.015 -0.897 4.350 -8.770 0.000 0.191 448 E C 2.258 178.854 176.600 -0.007 0.000 0.985 448 E CA 1.703 58.101 56.400 -0.003 0.000 0.801 448 E CB -0.142 29.559 29.700 0.002 0.000 0.750 448 E HN 0.728 nan 8.360 nan 0.000 0.452 449 E N -0.744 119.453 120.200 -0.006 0.000 2.347 449 E HA -0.059 -0.971 4.350 -8.770 0.000 0.196 449 E C 1.752 178.346 176.600 -0.011 0.000 1.008 449 E CA 0.888 57.285 56.400 -0.006 0.000 0.852 449 E CB 0.188 29.887 29.700 -0.001 0.000 0.783 449 E HN 0.101 nan 8.360 nan 0.000 0.505 450 S N -0.064 115.626 115.700 -0.017 0.000 2.421 450 S HA -0.034 -0.826 4.470 -8.770 0.000 0.224 450 S C 2.133 176.699 174.600 -0.056 0.000 1.035 450 S CA 0.219 58.405 58.200 -0.023 0.000 0.953 450 S CB 0.193 63.385 63.200 -0.014 0.000 0.810 450 S HN 0.034 nan 8.310 nan 0.000 0.497 451 V N 2.375 122.245 119.914 -0.074 0.000 2.358 451 V HA -0.099 -1.242 4.120 -8.770 0.000 0.246 451 V C 2.310 178.336 176.094 -0.113 0.000 1.047 451 V CA 1.577 63.790 62.300 -0.146 0.000 1.035 451 V CB -0.511 31.238 31.823 -0.123 0.000 0.658 451 V HN 0.481 nan 8.190 nan 0.000 0.452 452 M N 0.093 119.670 119.600 -0.039 0.000 2.229 452 M HA -0.173 -0.955 4.480 -8.770 0.000 0.264 452 M C 2.200 178.498 176.300 -0.003 0.000 1.063 452 M CA 1.677 56.976 55.300 -0.001 0.000 1.114 452 M CB -0.498 32.105 32.600 0.005 0.000 1.387 452 M HN 0.488 nan 8.290 nan 0.000 0.420 453 N N 0.635 119.322 118.700 -0.021 0.000 2.166 453 N HA -0.173 -0.695 4.740 -8.770 0.000 0.186 453 N C 1.819 177.312 175.510 -0.029 0.000 1.019 453 N CA 0.914 53.951 53.050 -0.021 0.000 0.856 453 N CB -0.075 38.399 38.487 -0.022 0.000 0.993 453 N HN 0.355 nan 8.380 nan 0.000 0.426 454 L N 1.567 122.753 121.223 -0.062 0.000 2.056 454 L HA -0.161 -1.083 4.340 -8.770 0.000 0.207 454 L C 1.783 178.648 176.870 -0.009 0.000 1.078 454 L CA 1.951 56.738 54.840 -0.088 0.000 0.749 454 L CB -1.259 40.679 42.059 -0.202 0.000 0.901 454 L HN 0.129 nan 8.230 nan 0.000 0.433 455 D N -0.322 120.107 120.400 0.050 0.000 2.183 455 D HA -0.196 -0.818 4.640 -8.770 0.000 0.203 455 D C 2.231 178.690 176.300 0.266 0.000 0.969 455 D CA 1.005 55.162 54.000 0.262 0.000 0.842 455 D CB 0.190 41.176 40.800 0.310 0.000 0.957 455 D HN 0.191 nan 8.370 nan 0.000 0.484 456 K N -0.713 119.764 120.400 0.129 0.000 2.228 456 K HA -0.016 -0.959 4.320 -8.770 0.000 0.202 456 K C 1.776 178.427 176.600 0.085 0.000 1.051 456 K CA 0.345 56.691 56.287 0.097 0.000 0.960 456 K CB 0.059 32.578 32.500 0.032 0.000 0.743 456 K HN 0.087 nan 8.250 nan 0.000 0.458 457 L N 0.759 122.010 121.223 0.048 0.000 2.375 457 L HA 0.059 -0.863 4.340 -8.770 0.000 0.215 457 L C 2.135 179.002 176.870 -0.005 0.000 1.108 457 L CA 0.903 55.746 54.840 0.005 0.000 0.830 457 L CB -0.145 41.895 42.059 -0.033 0.000 0.959 457 L HN 0.033 nan 8.230 nan 0.000 0.457 458 R N -0.945 119.557 120.500 0.005 0.000 2.093 458 R HA -0.062 -0.984 4.340 -8.770 0.000 0.224 458 R C 1.326 177.485 176.300 -0.235 0.000 1.101 458 R CA 1.360 57.383 56.100 -0.129 0.000 0.979 458 R CB -0.226 29.977 30.300 -0.162 0.000 0.877 458 R HN 0.357 nan 8.270 nan 0.000 0.441 459 F N 0.769 120.721 119.950 0.003 0.000 2.660 459 F HA 0.354 -0.381 4.527 -8.771 0.000 0.302 459 F C 0.781 176.564 175.800 -0.028 0.000 1.103 459 F CA -0.238 57.755 58.000 -0.011 0.000 1.340 459 F CB 0.181 39.178 39.000 -0.006 0.000 1.048 459 F HN -0.069 nan 8.300 nan 0.000 0.551 460 A N 1.013 123.889 122.820 0.094 0.000 2.526 460 A HA 0.085 -0.857 4.320 -8.770 0.000 0.267 460 A C -0.083 177.507 177.584 0.011 0.000 1.095 460 A CA 0.038 52.101 52.037 0.044 0.000 0.775 460 A CB -0.739 18.270 19.000 0.014 0.000 1.036 460 A HN 0.476 nan 8.150 nan 0.000 0.510 461 N N 1.947 120.652 118.700 0.009 0.000 2.501 461 N HA 0.536 0.014 4.740 -8.770 0.000 0.245 461 N C 0.446 175.954 175.510 -0.004 0.000 0.974 461 N CA 0.260 53.300 53.050 -0.017 0.000 0.941 461 N CB 1.559 40.037 38.487 -0.016 0.000 1.122 461 N HN 0.780 nan 8.380 nan 0.000 0.507 462 G N -0.495 108.308 108.800 0.005 0.000 3.251 462 G HA2 0.298 -1.004 3.960 -8.770 0.000 0.248 462 G HA3 0.298 -1.004 3.960 -8.770 0.000 0.248 462 G C 0.695 175.628 174.900 0.056 0.000 1.320 462 G CA -0.360 44.771 45.100 0.050 0.000 0.982 462 G HN 0.400 nan 8.290 nan 0.000 0.575 463 T N -2.228 112.380 114.554 0.089 0.000 3.042 463 T HA 0.256 -0.656 4.350 -8.770 0.000 0.245 463 T C 1.099 175.830 174.700 0.051 0.000 1.029 463 T CA 0.723 62.855 62.100 0.053 0.000 1.120 463 T CB -0.395 68.485 68.868 0.021 0.000 0.917 463 T HN 0.692 nan 8.240 nan 0.000 0.467 464 I N 0.852 121.461 120.570 0.065 0.000 2.493 464 I HA 0.677 -0.415 4.170 -8.770 0.000 0.298 464 I C 0.014 176.181 176.117 0.083 0.000 0.998 464 I CA -1.563 59.775 61.300 0.065 0.000 1.137 464 I CB 1.925 39.952 38.000 0.045 0.000 1.310 464 I HN 0.072 nan 8.210 nan 0.000 0.445 465 R N 2.606 123.166 120.500 0.100 0.000 2.541 465 R HA 0.461 -0.461 4.340 -8.770 0.000 0.263 465 R C 0.283 176.632 176.300 0.082 0.000 1.112 465 R CA -0.420 55.755 56.100 0.124 0.000 1.170 465 R CB 0.030 30.446 30.300 0.194 0.000 1.167 465 R HN 0.718 nan 8.270 nan 0.000 0.582 466 T N 0.593 115.193 114.554 0.078 0.000 2.699 466 T HA -0.217 -1.129 4.350 -8.770 0.000 0.268 466 T C 1.912 176.638 174.700 0.043 0.000 1.036 466 T CA 2.294 64.422 62.100 0.048 0.000 1.147 466 T CB -0.388 68.502 68.868 0.036 0.000 0.862 466 T HN 0.772 nan 8.240 nan 0.000 0.446 467 S N 1.586 117.310 115.700 0.040 0.000 2.406 467 S HA -0.022 -0.814 4.470 -8.770 0.000 0.228 467 S C 1.883 176.512 174.600 0.047 0.000 1.020 467 S CA 0.637 58.861 58.200 0.040 0.000 0.965 467 S CB -0.332 62.882 63.200 0.023 0.000 0.798 467 S HN 0.558 nan 8.310 nan 0.000 0.488 468 E N 0.628 120.855 120.200 0.045 0.000 2.106 468 E HA -0.007 -0.919 4.350 -8.770 0.000 0.192 468 E C 1.845 178.469 176.600 0.040 0.000 0.984 468 E CA 0.868 57.293 56.400 0.041 0.000 0.806 468 E CB -0.190 29.535 29.700 0.042 0.000 0.750 468 E HN 0.361 nan 8.360 nan 0.000 0.458 469 L N 0.841 122.089 121.223 0.043 0.000 2.270 469 L HA -0.012 -0.934 4.340 -8.770 0.000 0.210 469 L C 2.189 179.086 176.870 0.046 0.000 1.104 469 L CA 1.263 56.127 54.840 0.040 0.000 0.804 469 L CB -0.150 41.930 42.059 0.036 0.000 0.937 469 L HN -0.101 nan 8.230 nan 0.000 0.450 470 R N -0.966 119.566 120.500 0.053 0.000 2.075 470 R HA -0.134 -1.056 4.340 -8.770 0.000 0.232 470 R C 2.186 178.537 176.300 0.085 0.000 1.126 470 R CA 1.592 57.733 56.100 0.068 0.000 0.963 470 R CB -0.316 30.029 30.300 0.075 0.000 0.858 470 R HN 0.354 nan 8.270 nan 0.000 0.435 471 L N 0.600 121.873 121.223 0.083 0.000 2.201 471 L HA -0.045 -0.968 4.340 -8.770 0.000 0.212 471 L C 1.962 178.861 176.870 0.048 0.000 1.105 471 L CA 1.493 56.384 54.840 0.085 0.000 0.775 471 L CB -0.063 42.035 42.059 0.064 0.000 0.913 471 L HN 0.070 nan 8.230 nan 0.000 0.440 472 S N -0.918 114.807 115.700 0.040 0.000 2.406 472 S HA -0.160 -0.952 4.470 -8.770 0.000 0.228 472 S C 1.848 176.471 174.600 0.038 0.000 1.020 472 S CA 1.604 59.823 58.200 0.031 0.000 0.965 472 S CB -0.247 62.970 63.200 0.028 0.000 0.798 472 S HN 0.535 nan 8.310 nan 0.000 0.488 473 M N 1.125 120.752 119.600 0.044 0.000 2.160 473 M HA -0.065 -0.847 4.480 -8.770 0.000 0.264 473 M C 2.113 178.435 176.300 0.037 0.000 1.073 473 M CA 1.317 56.637 55.300 0.033 0.000 1.142 473 M CB -0.194 32.424 32.600 0.031 0.000 1.358 473 M HN 0.216 nan 8.290 nan 0.000 0.422 474 Q N 0.129 119.977 119.800 0.080 0.000 2.084 474 Q HA -0.157 -1.079 4.340 -8.770 0.000 0.202 474 Q C 1.990 178.100 176.000 0.185 0.000 0.978 474 Q CA 1.237 57.127 55.803 0.146 0.000 0.844 474 Q CB 0.004 28.890 28.738 0.247 0.000 0.898 474 Q HN 0.350 nan 8.270 nan 0.000 0.426 475 K N 0.045 120.505 120.400 0.099 0.000 2.155 475 K HA 0.013 -0.929 4.320 -8.770 0.000 0.203 475 K C 2.121 178.770 176.600 0.081 0.000 1.052 475 K CA 0.764 57.060 56.287 0.015 0.000 0.948 475 K CB -0.030 32.389 32.500 -0.136 0.000 0.728 475 K HN 0.042 nan 8.250 nan 0.000 0.448 476 S N 0.938 116.703 115.700 0.109 0.000 2.371 476 S HA -0.021 -0.813 4.470 -8.770 0.000 0.224 476 S C 1.905 176.670 174.600 0.275 0.000 1.029 476 S CA 0.907 59.237 58.200 0.218 0.000 0.978 476 S CB -0.016 63.262 63.200 0.130 0.000 0.833 476 S HN 0.197 nan 8.310 nan 0.000 0.466 477 M N 0.941 120.608 119.600 0.112 0.000 2.229 477 M HA -0.003 -0.785 4.480 -8.770 0.000 0.264 477 M C 2.220 178.695 176.300 0.292 0.000 1.063 477 M CA 1.221 56.537 55.300 0.028 0.000 1.114 477 M CB -1.142 31.195 32.600 -0.439 0.000 1.387 477 M HN 0.243 nan 8.290 nan 0.000 0.420 478 Q N 0.065 120.071 119.800 0.343 0.000 2.230 478 Q HA -0.002 -0.924 4.340 -8.770 0.000 0.202 478 Q C 1.839 177.991 176.000 0.253 0.000 0.963 478 Q CA 1.486 57.543 55.803 0.423 0.000 0.866 478 Q CB 0.077 29.051 28.738 0.394 0.000 0.931 478 Q HN 0.391 nan 8.270 nan 0.000 0.452 479 S N -1.368 114.417 115.700 0.141 0.000 2.441 479 S HA 0.041 -0.751 4.470 -8.770 0.000 0.224 479 S C 1.138 175.667 174.600 -0.117 0.000 1.043 479 S CA 0.663 58.840 58.200 -0.038 0.000 0.948 479 S CB -0.108 62.985 63.200 -0.179 0.000 0.810 479 S HN 0.534 nan 8.310 nan 0.000 0.504 480 H N 1.239 120.370 119.070 0.102 0.000 2.361 480 H HA 0.431 -0.276 4.556 -8.772 0.000 0.308 480 H C 1.320 176.716 175.328 0.115 0.000 1.053 480 H CA 0.904 57.000 56.048 0.080 0.000 1.377 480 H CB -0.028 29.761 29.762 0.045 0.000 1.434 480 H HN 0.338 nan 8.280 nan 0.000 0.548 481 A N 1.170 124.179 122.820 0.316 0.000 3.260 481 A HA 0.625 -0.317 4.320 -8.770 0.000 0.268 481 A C 0.707 178.546 177.584 0.425 0.000 1.491 481 A CA 0.152 52.391 52.037 0.338 0.000 1.181 481 A CB -1.079 18.142 19.000 0.368 0.000 1.137 481 A HN 0.449 nan 8.150 nan 0.000 0.642 482 A N -0.243 122.713 122.820 0.226 0.000 2.445 482 A HA 0.509 -0.433 4.320 -8.770 0.000 0.270 482 A C 1.563 178.933 177.584 -0.356 0.000 1.495 482 A CA 0.384 52.452 52.037 0.051 0.000 0.840 482 A CB -0.468 18.535 19.000 0.004 0.000 1.472 482 A HN 0.591 nan 8.150 nan 0.000 0.541 483 V N -1.370 118.055 119.914 -0.814 0.000 2.261 483 V HA -0.120 -1.262 4.120 -8.770 0.000 0.246 483 V C 0.604 176.283 176.094 -0.691 0.000 1.047 483 V CA 1.411 63.098 62.300 -1.022 0.000 1.015 483 V CB -1.042 30.200 31.823 -0.970 0.000 0.642 483 V HN 0.484 nan 8.190 nan 0.000 0.446 484 F N 1.297 121.103 119.950 -0.240 0.000 2.420 484 F HA 0.632 -0.106 4.527 -8.774 0.000 0.342 484 F C 0.570 176.301 175.800 -0.115 0.000 1.113 484 F CA -0.816 57.092 58.000 -0.154 0.000 1.059 484 F CB 0.914 39.844 39.000 -0.117 0.000 1.128 484 F HN 0.095 nan 8.300 nan 0.000 0.475 485 R N 2.082 122.615 120.500 0.055 0.000 2.574 485 R HA 0.799 -0.123 4.340 -8.770 0.000 0.288 485 R C -2.004 174.308 176.300 0.020 0.000 1.004 485 R CA -0.901 55.215 56.100 0.027 0.000 0.895 485 R CB 1.315 31.617 30.300 0.004 0.000 1.191 485 R HN 0.387 nan 8.270 nan 0.000 0.444 486 V N 1.219 121.157 119.914 0.041 0.000 2.713 486 V HA 0.394 -0.748 4.120 -8.770 0.000 0.307 486 V C 1.491 177.613 176.094 0.047 0.000 1.052 486 V CA -0.349 61.977 62.300 0.043 0.000 0.967 486 V CB 1.696 33.540 31.823 0.034 0.000 1.019 486 V HN 1.028 nan 8.190 nan 0.000 0.459 487 G N 1.101 109.938 108.800 0.061 0.000 2.535 487 G HA2 -0.124 -1.426 3.960 -8.770 0.000 0.218 487 G HA3 -0.124 -1.426 3.960 -8.770 0.000 0.218 487 G C 1.293 176.215 174.900 0.036 0.000 1.122 487 G CA 1.012 46.143 45.100 0.051 0.000 0.769 487 G HN 0.659 nan 8.290 nan 0.000 0.549 488 S N -0.174 115.550 115.700 0.040 0.000 2.371 488 S HA -0.062 -0.854 4.470 -8.770 0.000 0.221 488 S C 2.590 177.219 174.600 0.049 0.000 1.036 488 S CA 1.126 59.347 58.200 0.035 0.000 0.965 488 S CB -0.088 63.130 63.200 0.030 0.000 0.845 488 S HN 0.412 nan 8.310 nan 0.000 0.475 489 V N 0.336 120.293 119.914 0.071 0.000 2.649 489 V HA 0.142 -1.000 4.120 -8.770 0.000 0.248 489 V C 1.934 178.128 176.094 0.166 0.000 1.054 489 V CA 0.979 63.369 62.300 0.150 0.000 1.073 489 V CB -1.015 30.882 31.823 0.124 0.000 0.699 489 V HN 0.330 nan 8.190 nan 0.000 0.463 490 L N -0.115 121.153 121.223 0.074 0.000 2.093 490 L HA -0.128 -1.050 4.340 -8.770 0.000 0.208 490 L C 2.910 179.730 176.870 -0.083 0.000 1.085 490 L CA 2.043 56.889 54.840 0.012 0.000 0.755 490 L CB -0.483 41.579 42.059 0.005 0.000 0.904 490 L HN 0.407 nan 8.230 nan 0.000 0.435 491 Q N 0.006 119.766 119.800 -0.067 0.000 2.123 491 Q HA -0.242 -1.164 4.340 -8.770 0.000 0.199 491 Q C 2.103 178.037 176.000 -0.109 0.000 0.966 491 Q CA 1.379 57.118 55.803 -0.106 0.000 0.845 491 Q CB 0.133 28.837 28.738 -0.056 0.000 0.907 491 Q HN 0.443 nan 8.270 nan 0.000 0.439 492 E N -0.949 119.215 120.200 -0.060 0.000 2.106 492 E HA -0.133 -1.045 4.350 -8.770 0.000 0.192 492 E C 1.721 178.183 176.600 -0.231 0.000 0.984 492 E CA 1.000 57.361 56.400 -0.065 0.000 0.806 492 E CB -0.120 29.611 29.700 0.051 0.000 0.750 492 E HN 0.499 nan 8.360 nan 0.000 0.458 493 G N 0.230 108.805 108.800 -0.375 0.000 2.448 493 G HA2 -0.223 -1.525 3.960 -8.770 0.000 0.218 493 G HA3 -0.223 -1.525 3.960 -8.770 0.000 0.218 493 G C 1.631 176.330 174.900 -0.335 0.000 1.135 493 G CA 0.612 45.319 45.100 -0.655 0.000 0.784 493 G HN 0.327 nan 8.290 nan 0.000 0.543 494 C N 1.148 120.278 119.300 -0.283 0.000 2.455 494 C HA -0.044 -0.847 4.460 -8.770 0.000 0.281 494 C C 2.870 177.787 174.990 -0.121 0.000 1.237 494 C CA 1.319 60.145 59.018 -0.320 0.000 1.726 494 C CB -0.294 27.076 27.740 -0.617 0.000 2.068 494 C HN 0.706 nan 8.230 nan 0.000 0.466 495 E N 1.323 121.467 120.200 -0.093 0.000 2.478 495 E HA -0.176 -1.088 4.350 -8.770 0.000 0.198 495 E C 1.694 178.284 176.600 -0.017 0.000 1.046 495 E CA 0.964 57.359 56.400 -0.008 0.000 0.870 495 E CB -0.438 29.260 29.700 -0.002 0.000 0.818 495 E HN 0.626 nan 8.360 nan 0.000 0.527 496 K N 0.256 120.610 120.400 -0.076 0.000 2.116 496 K HA 0.010 -0.932 4.320 -8.770 0.000 0.203 496 K C 2.049 178.628 176.600 -0.034 0.000 1.052 496 K CA 0.668 56.911 56.287 -0.074 0.000 0.952 496 K CB 0.144 32.543 32.500 -0.168 0.000 0.729 496 K HN 0.044 nan 8.250 nan 0.000 0.446 497 I N 1.309 121.858 120.570 -0.036 0.000 2.333 497 I HA -0.192 -1.285 4.170 -8.770 0.000 0.246 497 I C 2.286 178.452 176.117 0.082 0.000 1.106 497 I CA 0.711 62.023 61.300 0.020 0.000 1.411 497 I CB -0.889 37.118 38.000 0.012 0.000 1.082 497 I HN 0.227 nan 8.210 nan 0.000 0.420 498 L N 1.188 122.473 121.223 0.103 0.000 2.079 498 L HA -0.185 -1.108 4.340 -8.770 0.000 0.210 498 L C 2.713 179.659 176.870 0.127 0.000 1.081 498 L CA 1.809 56.722 54.840 0.121 0.000 0.752 498 L CB -0.680 41.467 42.059 0.147 0.000 0.896 498 L HN 0.107 nan 8.230 nan 0.000 0.433 499 R N -0.521 120.034 120.500 0.091 0.000 2.092 499 R HA -0.112 -1.034 4.340 -8.770 0.000 0.231 499 R C 2.196 178.554 176.300 0.097 0.000 1.119 499 R CA 1.646 57.796 56.100 0.083 0.000 0.970 499 R CB -0.346 29.983 30.300 0.048 0.000 0.864 499 R HN 0.465 nan 8.270 nan 0.000 0.440 500 L N -0.512 120.767 121.223 0.093 0.000 2.275 500 L HA -0.156 -1.078 4.340 -8.770 0.000 0.215 500 L C 2.080 179.018 176.870 0.112 0.000 1.119 500 L CA 0.757 55.649 54.840 0.086 0.000 0.790 500 L CB -0.412 41.687 42.059 0.067 0.000 0.919 500 L HN 0.216 nan 8.230 nan 0.000 0.443 501 Y N 0.650 120.963 120.300 0.023 0.000 2.314 501 Y HA -0.058 -0.768 4.550 -8.766 0.000 0.293 501 Y C 2.307 178.222 175.900 0.024 0.000 1.129 501 Y CA 1.254 59.362 58.100 0.015 0.000 1.201 501 Y CB -0.130 38.330 38.460 -0.000 0.000 0.999 501 Y HN 0.059 nan 8.280 nan 0.000 0.541 502 G N -0.903 107.986 108.800 0.149 0.000 2.484 502 G HA2 -0.179 -1.481 3.960 -8.770 0.000 0.218 502 G HA3 -0.179 -1.481 3.960 -8.770 0.000 0.218 502 G C 1.006 175.965 174.900 0.098 0.000 1.130 502 G CA 0.878 46.035 45.100 0.096 0.000 0.784 502 G HN 0.314 nan 8.290 nan 0.000 0.543 503 D N 0.303 120.769 120.400 0.110 0.000 2.348 503 D HA 0.023 -0.600 4.640 -8.770 0.000 0.216 503 D C 2.378 178.737 176.300 0.099 0.000 0.970 503 D CA 0.081 54.192 54.000 0.185 0.000 0.889 503 D CB 0.013 40.871 40.800 0.097 0.000 0.912 503 D HN 0.273 nan 8.370 nan 0.000 0.524 504 L N 0.531 121.723 121.223 -0.051 0.000 2.353 504 L HA -0.151 -1.073 4.340 -8.770 0.000 0.220 504 L C 1.995 178.786 176.870 -0.131 0.000 1.133 504 L CA 0.716 55.481 54.840 -0.126 0.000 0.798 504 L CB -0.167 41.721 42.059 -0.286 0.000 0.922 504 L HN 0.003 nan 8.230 nan 0.000 0.445 505 Q N -0.955 118.739 119.800 -0.176 0.000 2.378 505 Q HA -0.046 -0.968 4.340 -8.770 0.000 0.205 505 Q C 0.920 176.699 176.000 -0.368 0.000 0.954 505 Q CA 1.001 56.624 55.803 -0.300 0.000 0.901 505 Q CB -0.077 28.415 28.738 -0.409 0.000 0.981 505 Q HN 0.642 nan 8.270 nan 0.000 0.483 506 H N -0.116 118.936 119.070 -0.030 0.000 2.550 506 H HA 0.287 -0.420 4.556 -8.771 0.000 0.304 506 H C -0.041 175.280 175.328 -0.011 0.000 1.086 506 H CA -0.251 55.788 56.048 -0.016 0.000 1.089 506 H CB 0.131 29.888 29.762 -0.009 0.000 1.528 506 H HN 0.063 nan 8.280 nan 0.000 0.539 507 L N 1.701 122.949 121.223 0.042 0.000 2.331 507 L HA 0.126 -0.796 4.340 -8.770 0.000 0.278 507 L C 0.556 177.447 176.870 0.034 0.000 1.106 507 L CA -0.206 54.655 54.840 0.035 0.000 0.824 507 L CB 0.855 42.915 42.059 0.002 0.000 1.142 507 L HN -0.003 nan 8.230 nan 0.000 0.443 508 K N 2.346 122.778 120.400 0.054 0.000 2.293 508 K HA 0.375 -0.567 4.320 -8.770 0.000 0.267 508 K C -0.829 175.820 176.600 0.083 0.000 1.010 508 K CA -0.296 56.015 56.287 0.041 0.000 0.875 508 K CB 1.126 33.665 32.500 0.065 0.000 1.106 508 K HN 0.487 nan 8.250 nan 0.000 0.450 509 T N 4.128 118.694 114.554 0.020 0.000 2.925 509 T HA 0.387 -0.525 4.350 -8.770 0.000 0.285 509 T C 0.256 174.958 174.700 0.004 0.000 1.021 509 T CA -0.492 61.649 62.100 0.068 0.000 1.042 509 T CB 0.812 69.683 68.868 0.005 0.000 1.037 509 T HN 0.476 nan 8.240 nan 0.000 0.481 510 F N -0.156 119.776 119.950 -0.030 0.000 2.557 510 F HA 0.252 -0.483 4.527 -8.771 0.000 0.278 510 F C 1.142 176.917 175.800 -0.042 0.000 1.051 510 F CA -0.352 57.633 58.000 -0.025 0.000 1.357 510 F CB 0.549 39.540 39.000 -0.015 0.000 1.104 510 F HN 0.420 nan 8.300 nan 0.000 0.654 511 D N -0.005 120.471 120.400 0.126 0.000 2.264 511 D HA 0.248 -0.374 4.640 -8.770 0.000 0.250 511 D C 0.287 176.541 176.300 -0.078 0.000 1.113 511 D CA 0.090 54.108 54.000 0.030 0.000 0.871 511 D CB 1.132 41.950 40.800 0.031 0.000 1.167 511 D HN -0.122 nan 8.370 nan 0.000 0.447 512 R N 1.426 121.860 120.500 -0.112 0.000 2.543 512 R HA 0.369 -0.553 4.340 -8.770 0.000 0.323 512 R C 0.551 176.745 176.300 -0.176 0.000 1.002 512 R CA -0.389 55.562 56.100 -0.248 0.000 1.106 512 R CB 1.184 31.333 30.300 -0.252 0.000 1.280 512 R HN 0.375 nan 8.270 nan 0.000 0.549 513 G N -0.397 108.353 108.800 -0.084 0.000 2.476 513 G HA2 0.182 -1.120 3.960 -8.770 0.000 0.286 513 G HA3 0.182 -1.120 3.960 -8.770 0.000 0.286 513 G C 0.656 175.542 174.900 -0.022 0.000 1.177 513 G CA -0.450 44.630 45.100 -0.034 0.000 0.870 513 G HN -0.005 nan 8.290 nan 0.000 0.528 514 M N 0.388 119.994 119.600 0.009 0.000 2.299 514 M HA 0.044 -0.738 4.480 -8.770 0.000 0.264 514 M C 1.087 177.412 176.300 0.041 0.000 1.095 514 M CA 0.736 56.054 55.300 0.031 0.000 1.165 514 M CB -0.200 32.427 32.600 0.046 0.000 1.349 514 M HN 0.154 nan 8.290 nan 0.000 0.446 515 V N 1.054 121.012 119.914 0.074 0.000 2.446 515 V HA -0.086 -1.228 4.120 -8.770 0.000 0.276 515 V C -0.663 175.564 176.094 0.221 0.000 1.030 515 V CA -0.207 62.176 62.300 0.138 0.000 1.033 515 V CB -0.934 30.978 31.823 0.149 0.000 0.993 515 V HN 0.689 nan 8.190 nan 0.000 0.477 516 W N 4.236 125.529 121.300 -0.012 0.000 5.898 516 W HA -0.212 -0.814 4.660 -8.770 0.000 0.431 516 W C 0.743 177.245 176.519 -0.028 0.000 1.754 516 W CA 0.355 57.689 57.345 -0.017 0.000 0.968 516 W CB -0.658 28.796 29.460 -0.009 0.000 2.937 516 W HN 0.712 nan 8.180 nan 0.000 1.266 517 N N 1.291 120.016 118.700 0.042 0.000 2.949 517 N HA 0.120 -0.402 4.740 -8.770 0.000 0.243 517 N C 1.289 176.784 175.510 -0.026 0.000 1.113 517 N CA 0.722 53.780 53.050 0.013 0.000 0.980 517 N CB 0.602 39.063 38.487 -0.043 0.000 1.256 517 N HN 0.290 nan 8.380 nan 0.000 0.508 518 T N -1.047 113.541 114.554 0.058 0.000 2.962 518 T HA -0.132 -1.044 4.350 -8.770 0.000 0.270 518 T C 1.313 176.003 174.700 -0.016 0.000 1.088 518 T CA 0.787 62.907 62.100 0.032 0.000 1.127 518 T CB 0.105 69.049 68.868 0.128 0.000 0.883 518 T HN 0.229 nan 8.240 nan 0.000 0.493 519 D N 0.934 121.330 120.400 -0.006 0.000 2.144 519 D HA -0.037 -0.659 4.640 -8.770 0.000 0.200 519 D C 1.843 178.119 176.300 -0.040 0.000 0.978 519 D CA 0.466 54.461 54.000 -0.008 0.000 0.833 519 D CB -0.352 40.464 40.800 0.026 0.000 0.961 519 D HN 0.344 nan 8.370 nan 0.000 0.470 520 L N 0.266 121.443 121.223 -0.075 0.000 2.095 520 L HA -0.019 -0.941 4.340 -8.770 0.000 0.204 520 L C 2.289 179.039 176.870 -0.199 0.000 1.080 520 L CA 1.508 56.276 54.840 -0.119 0.000 0.759 520 L CB -0.627 41.355 42.059 -0.129 0.000 0.914 520 L HN 0.113 nan 8.230 nan 0.000 0.439 521 V N -3.736 116.020 119.914 -0.264 0.000 3.041 521 V HA -0.065 -1.207 4.120 -8.770 0.000 0.260 521 V C 2.109 178.003 176.094 -0.332 0.000 1.105 521 V CA 1.351 63.370 62.300 -0.469 0.000 1.125 521 V CB -0.900 30.585 31.823 -0.563 0.000 0.730 521 V HN 0.511 nan 8.190 nan 0.000 0.479 522 E N 1.130 121.235 120.200 -0.158 0.000 2.107 522 E HA -0.111 -1.023 4.350 -8.770 0.000 0.191 522 E C 2.278 178.842 176.600 -0.059 0.000 0.982 522 E CA 1.779 58.138 56.400 -0.068 0.000 0.809 522 E CB -0.205 29.480 29.700 -0.024 0.000 0.756 522 E HN 0.752 nan 8.360 nan 0.000 0.459 523 T N 1.181 115.686 114.554 -0.081 0.000 2.904 523 T HA -0.056 -0.968 4.350 -8.770 0.000 0.267 523 T C 1.958 176.612 174.700 -0.078 0.000 1.059 523 T CA 0.540 62.604 62.100 -0.061 0.000 1.137 523 T CB -0.085 68.750 68.868 -0.055 0.000 0.879 523 T HN 0.066 nan 8.240 nan 0.000 0.467 524 L N 0.671 121.801 121.223 -0.155 0.000 2.093 524 L HA -0.061 -0.983 4.340 -8.770 0.000 0.208 524 L C 2.786 179.652 176.870 -0.008 0.000 1.085 524 L CA 1.349 56.099 54.840 -0.150 0.000 0.755 524 L CB -0.461 41.343 42.059 -0.425 0.000 0.904 524 L HN 0.286 nan 8.230 nan 0.000 0.435 525 E N -0.260 119.931 120.200 -0.015 0.000 2.150 525 E HA -0.242 -1.154 4.350 -8.770 0.000 0.193 525 E C 2.086 178.730 176.600 0.075 0.000 0.985 525 E CA 0.868 57.339 56.400 0.117 0.000 0.814 525 E CB -0.040 29.726 29.700 0.111 0.000 0.752 525 E HN 0.254 nan 8.360 nan 0.000 0.466 526 L N 1.291 122.533 121.223 0.032 0.000 2.056 526 L HA -0.210 -1.132 4.340 -8.770 0.000 0.207 526 L C 2.084 178.969 176.870 0.026 0.000 1.078 526 L CA 1.748 56.606 54.840 0.029 0.000 0.749 526 L CB -0.220 41.846 42.059 0.012 0.000 0.901 526 L HN 0.051 nan 8.230 nan 0.000 0.433 527 Q N -0.737 119.070 119.800 0.012 0.000 2.124 527 Q HA -0.196 -1.118 4.340 -8.770 0.000 0.202 527 Q C 1.847 177.880 176.000 0.056 0.000 0.977 527 Q CA 1.689 57.499 55.803 0.011 0.000 0.850 527 Q CB -0.201 28.531 28.738 -0.009 0.000 0.901 527 Q HN 0.558 nan 8.270 nan 0.000 0.429 528 N N 0.435 119.175 118.700 0.066 0.000 2.216 528 N HA -0.067 -0.589 4.740 -8.770 0.000 0.183 528 N C 1.641 177.171 175.510 0.033 0.000 1.017 528 N CA 0.789 53.876 53.050 0.061 0.000 0.861 528 N CB -0.127 38.418 38.487 0.097 0.000 0.986 528 N HN 0.164 nan 8.380 nan 0.000 0.428 529 L N -0.077 121.174 121.223 0.047 0.000 2.093 529 L HA -0.043 -0.965 4.340 -8.770 0.000 0.208 529 L C 2.097 178.973 176.870 0.011 0.000 1.085 529 L CA 0.743 55.604 54.840 0.035 0.000 0.755 529 L CB -0.223 41.869 42.059 0.055 0.000 0.904 529 L HN 0.153 nan 8.230 nan 0.000 0.435 530 M N -0.572 119.056 119.600 0.047 0.000 2.132 530 M HA -0.178 -0.960 4.480 -8.770 0.000 0.263 530 M C 2.358 178.688 176.300 0.050 0.000 1.065 530 M CA 1.775 57.127 55.300 0.087 0.000 1.122 530 M CB -0.917 31.797 32.600 0.191 0.000 1.365 530 M HN 0.232 nan 8.290 nan 0.000 0.411 531 L N -0.970 120.277 121.223 0.041 0.000 2.131 531 L HA -0.223 -1.145 4.340 -8.770 0.000 0.210 531 L C 2.038 178.812 176.870 -0.161 0.000 1.092 531 L CA 0.740 55.549 54.840 -0.051 0.000 0.759 531 L CB -0.577 41.467 42.059 -0.026 0.000 0.903 531 L HN 0.307 nan 8.230 nan 0.000 0.435 532 C N -0.534 118.639 119.300 -0.212 0.000 2.578 532 C HA 0.329 -0.473 4.460 -8.770 0.000 0.285 532 C C 2.240 177.016 174.990 -0.356 0.000 1.297 532 C CA 0.305 59.047 59.018 -0.460 0.000 1.690 532 C CB -1.352 25.986 27.740 -0.670 0.000 1.773 532 C HN 0.533 nan 8.230 nan 0.000 0.594 533 A N -0.171 122.549 122.820 -0.167 0.000 2.026 533 A HA 0.276 -0.667 4.320 -8.770 0.000 0.201 533 A C 1.672 179.222 177.584 -0.056 0.000 1.318 533 A CA 0.339 52.315 52.037 -0.100 0.000 0.857 533 A CB -0.285 18.679 19.000 -0.061 0.000 0.939 533 A HN 0.350 nan 8.150 nan 0.000 0.476 534 L N 0.323 121.514 121.223 -0.053 0.000 2.046 534 L HA -0.180 -1.102 4.340 -8.770 0.000 0.208 534 L C 2.603 179.485 176.870 0.020 0.000 1.077 534 L CA 1.797 56.633 54.840 -0.006 0.000 0.747 534 L CB -0.393 41.579 42.059 -0.146 0.000 0.896 534 L HN 0.435 nan 8.230 nan 0.000 0.432 535 Q N -1.573 118.176 119.800 -0.085 0.000 2.230 535 Q HA -0.112 -1.034 4.340 -8.770 0.000 0.202 535 Q C 2.002 177.981 176.000 -0.036 0.000 0.963 535 Q CA 1.603 57.355 55.803 -0.084 0.000 0.866 535 Q CB -0.110 28.533 28.738 -0.158 0.000 0.931 535 Q HN 0.492 nan 8.270 nan 0.000 0.452 536 T N 0.798 115.331 114.554 -0.036 0.000 2.857 536 T HA -0.083 -0.995 4.350 -8.770 0.000 0.266 536 T C 1.726 176.450 174.700 0.040 0.000 1.048 536 T CA 0.775 62.892 62.100 0.029 0.000 1.139 536 T CB -0.008 68.912 68.868 0.086 0.000 0.874 536 T HN 0.143 nan 8.240 nan 0.000 0.455 537 I N -0.376 120.218 120.570 0.040 0.000 2.585 537 I HA 0.087 -1.006 4.170 -8.770 0.000 0.254 537 I C 1.713 177.805 176.117 -0.041 0.000 1.129 537 I CA 0.871 62.175 61.300 0.007 0.000 1.455 537 I CB -0.060 37.924 38.000 -0.027 0.000 1.111 537 I HN 0.138 nan 8.210 nan 0.000 0.433 538 Y N 0.337 120.596 120.300 -0.069 0.000 2.263 538 Y HA 0.028 -0.688 4.550 -8.776 0.000 0.292 538 Y C 2.510 178.360 175.900 -0.083 0.000 1.130 538 Y CA 1.487 59.545 58.100 -0.071 0.000 1.179 538 Y CB -0.841 37.574 38.460 -0.076 0.000 0.998 538 Y HN 0.183 nan 8.280 nan 0.000 0.532 539 G N -0.791 108.035 108.800 0.043 0.000 2.422 539 G HA2 -0.179 -1.482 3.960 -8.770 0.000 0.218 539 G HA3 -0.179 -1.482 3.960 -8.770 0.000 0.218 539 G C 1.816 176.604 174.900 -0.187 0.000 1.140 539 G CA 0.843 45.908 45.100 -0.057 0.000 0.775 539 G HN 0.443 nan 8.290 nan 0.000 0.545 540 A N 1.392 124.109 122.820 -0.171 0.000 1.930 540 A HA 0.106 -0.836 4.320 -8.770 0.000 0.215 540 A C 2.156 179.696 177.584 -0.074 0.000 1.176 540 A CA 1.882 53.801 52.037 -0.196 0.000 0.632 540 A CB -0.272 18.746 19.000 0.030 0.000 0.819 540 A HN 0.499 nan 8.150 nan 0.000 0.445 541 E N 0.190 120.333 120.200 -0.094 0.000 2.208 541 E HA 0.141 -0.771 4.350 -8.770 0.000 0.193 541 E C 1.646 178.155 176.600 -0.152 0.000 0.988 541 E CA 1.309 57.644 56.400 -0.108 0.000 0.828 541 E CB -0.393 29.214 29.700 -0.155 0.000 0.763 541 E HN 0.371 nan 8.360 nan 0.000 0.478 542 A N 1.016 123.741 122.820 -0.158 0.000 1.975 542 A HA 0.026 -0.917 4.320 -8.770 0.000 0.215 542 A C 1.600 178.870 177.584 -0.524 0.000 1.170 542 A CA 0.479 52.415 52.037 -0.168 0.000 0.656 542 A CB -0.377 18.634 19.000 0.019 0.000 0.821 542 A HN 0.186 nan 8.150 nan 0.000 0.449 543 R N 0.989 121.121 120.500 -0.614 0.000 2.316 543 R HA 0.229 -0.693 4.340 -8.770 0.000 0.314 543 R C -1.000 174.787 176.300 -0.855 0.000 1.069 543 R CA 0.111 55.588 56.100 -1.039 0.000 0.959 543 R CB 0.119 29.975 30.300 -0.740 0.000 0.987 543 R HN 0.156 nan 8.270 nan 0.000 0.446 544 K N 5.081 124.670 120.400 -1.352 0.000 2.682 544 K HA 0.132 -0.810 4.320 -8.770 0.000 0.189 544 K C -1.229 175.020 176.600 -0.586 0.000 1.062 544 K CA -0.353 55.323 56.287 -1.019 0.000 0.997 544 K CB 0.801 32.343 32.500 -1.596 0.000 1.405 544 K HN 0.735 nan 8.250 nan 0.000 0.588 545 E N -1.395 118.692 120.200 -0.188 0.000 2.416 545 E HA 0.291 -0.622 4.350 -8.770 0.000 0.280 545 E C -1.271 175.417 176.600 0.147 0.000 1.055 545 E CA -0.991 55.470 56.400 0.102 0.000 0.825 545 E CB 1.161 30.960 29.700 0.166 0.000 1.312 545 E HN -0.109 nan 8.360 nan 0.000 0.452 546 S N 0.748 116.553 115.700 0.174 0.000 2.434 546 S HA 0.414 -0.378 4.470 -8.770 0.000 0.318 546 S C -0.729 173.993 174.600 0.202 0.000 1.062 546 S CA -0.586 57.704 58.200 0.150 0.000 1.116 546 S CB 0.123 63.399 63.200 0.128 0.000 0.977 546 S HN 0.389 nan 8.310 nan 0.000 0.480 547 R N 2.336 122.994 120.500 0.264 0.000 2.514 547 R HA 0.534 -0.388 4.340 -8.770 0.000 0.296 547 R C 0.795 177.316 176.300 0.368 0.000 1.012 547 R CA 0.281 56.570 56.100 0.315 0.000 0.897 547 R CB 0.934 31.459 30.300 0.375 0.000 1.184 547 R HN 0.799 nan 8.270 nan 0.000 0.440 548 G N 2.620 111.575 108.800 0.258 0.000 2.629 548 G HA2 -0.477 -1.779 3.960 -8.770 0.000 0.313 548 G HA3 -0.477 -1.779 3.960 -8.770 0.000 0.313 548 G C 0.763 175.798 174.900 0.225 0.000 1.217 548 G CA 0.708 45.944 45.100 0.228 0.000 0.994 548 G HN 0.799 nan 8.290 nan 0.000 0.549 549 A N -1.007 122.001 122.820 0.313 0.000 1.970 549 A HA 0.157 -0.785 4.320 -8.770 0.000 0.216 549 A C 1.399 179.104 177.584 0.200 0.000 1.170 549 A CA 1.687 53.877 52.037 0.254 0.000 0.645 549 A CB -0.384 18.814 19.000 0.329 0.000 0.816 549 A HN 1.021 nan 8.150 nan 0.000 0.447 550 H N 0.700 119.858 119.070 0.147 0.000 3.067 550 H HA 0.496 -0.222 4.556 -8.791 0.000 0.265 550 H C -0.745 174.588 175.328 0.008 0.000 1.234 550 H CA 0.288 56.318 56.048 -0.030 0.000 1.452 550 H CB -0.056 29.508 29.762 -0.330 0.000 1.527 550 H HN 0.255 nan 8.280 nan 0.000 0.486 551 A N 7.509 130.168 122.820 -0.268 0.000 2.285 551 A HA 0.401 -0.541 4.320 -8.770 0.000 0.310 551 A C -0.027 177.434 177.584 -0.205 0.000 1.266 551 A CA -0.899 51.037 52.037 -0.168 0.000 0.832 551 A CB 0.592 19.528 19.000 -0.105 0.000 1.163 551 A HN 0.659 nan 8.150 nan 0.000 0.499 552 R N 1.983 122.395 120.500 -0.147 0.000 2.357 552 R HA 0.215 -0.707 4.340 -8.770 0.000 0.296 552 R C 0.234 176.576 176.300 0.070 0.000 1.052 552 R CA -0.439 55.630 56.100 -0.053 0.000 0.988 552 R CB 1.158 31.476 30.300 0.030 0.000 1.025 552 R HN 0.793 nan 8.270 nan 0.000 0.469 553 E N 1.769 122.014 120.200 0.076 0.000 2.046 553 E HA -0.159 -1.071 4.350 -8.770 0.000 0.190 553 E C 1.056 177.676 176.600 0.034 0.000 0.982 553 E CA 1.624 58.060 56.400 0.061 0.000 0.800 553 E CB 0.181 29.899 29.700 0.029 0.000 0.756 553 E HN 0.598 nan 8.360 nan 0.000 0.449 554 D N -0.097 120.334 120.400 0.052 0.000 2.149 554 D HA -0.150 -0.772 4.640 -8.770 0.000 0.201 554 D C 0.482 176.673 176.300 -0.181 0.000 0.972 554 D CA 0.720 54.696 54.000 -0.040 0.000 0.835 554 D CB -0.594 40.224 40.800 0.030 0.000 0.966 554 D HN 0.080 nan 8.370 nan 0.000 0.476 555 F N 1.269 121.224 119.950 0.008 0.000 2.334 555 F HA 0.288 -0.332 4.527 -8.579 0.000 0.343 555 F C 1.321 177.140 175.800 0.033 0.000 1.136 555 F CA -0.860 57.155 58.000 0.025 0.000 1.237 555 F CB 1.022 40.032 39.000 0.016 0.000 1.525 555 F HN -0.178 nan 8.300 nan 0.000 0.528 556 K N -0.077 120.397 120.400 0.124 0.000 2.487 556 K HA 0.110 -0.833 4.320 -8.770 0.000 0.192 556 K C -0.093 176.584 176.600 0.128 0.000 1.027 556 K CA 0.502 56.857 56.287 0.113 0.000 1.054 556 K CB 0.180 32.725 32.500 0.074 0.000 0.824 556 K HN 0.297 nan 8.250 nan 0.000 0.510 557 E N 1.503 121.797 120.200 0.156 0.000 2.227 557 E HA 0.264 -0.648 4.350 -8.770 0.000 0.268 557 E C -0.436 176.278 176.600 0.191 0.000 0.990 557 E CA -0.787 55.707 56.400 0.156 0.000 0.856 557 E CB 1.385 31.170 29.700 0.142 0.000 1.159 557 E HN -0.006 nan 8.360 nan 0.000 0.401 558 R N 1.248 121.852 120.500 0.174 0.000 2.248 558 R HA 0.216 -0.706 4.340 -8.770 0.000 0.328 558 R C -0.688 175.734 176.300 0.203 0.000 1.067 558 R CA -0.303 55.913 56.100 0.193 0.000 0.924 558 R CB 0.349 30.751 30.300 0.169 0.000 1.013 558 R HN 0.173 nan 8.270 nan 0.000 0.454 559 V N 5.311 125.374 119.914 0.250 0.000 2.270 559 V HA 0.134 -1.009 4.120 -8.770 0.000 0.263 559 V C 0.308 176.531 176.094 0.214 0.000 1.066 559 V CA -0.397 62.052 62.300 0.248 0.000 0.857 559 V CB 0.732 32.771 31.823 0.359 0.000 1.099 559 V HN 0.587 nan 8.190 nan 0.000 0.476 560 D N 2.689 123.180 120.400 0.151 0.000 2.569 560 D HA 0.312 -0.311 4.640 -8.770 0.000 0.266 560 D C 0.950 177.180 176.300 -0.116 0.000 1.164 560 D CA -0.579 53.476 54.000 0.091 0.000 1.071 560 D CB 1.513 42.463 40.800 0.249 0.000 1.183 560 D HN 0.445 nan 8.370 nan 0.000 0.613 561 E N -0.571 119.394 120.200 -0.392 0.000 2.150 561 E HA -0.087 -0.999 4.350 -8.770 0.000 0.193 561 E C -0.074 176.114 176.600 -0.687 0.000 0.985 561 E CA 1.270 57.239 56.400 -0.719 0.000 0.814 561 E CB -0.121 29.049 29.700 -0.883 0.000 0.752 561 E HN 0.396 nan 8.360 nan 0.000 0.466 562 Y N -0.339 119.760 120.300 -0.335 0.000 2.570 562 Y HA 0.230 -0.477 4.550 -8.762 0.000 0.345 562 Y C -0.095 175.533 175.900 -0.452 0.000 1.014 562 Y CA -1.383 56.406 58.100 -0.518 0.000 1.063 562 Y CB 1.325 39.245 38.460 -0.900 0.000 1.272 562 Y HN -0.200 nan 8.280 nan 0.000 0.477 563 D N 1.467 121.792 120.400 -0.124 0.000 2.435 563 D HA 0.015 -0.608 4.640 -8.770 0.000 0.230 563 D C -0.278 175.957 176.300 -0.109 0.000 1.215 563 D CA 0.221 54.182 54.000 -0.064 0.000 0.947 563 D CB 0.133 40.920 40.800 -0.021 0.000 1.048 563 D HN 0.625 nan 8.370 nan 0.000 0.512 564 Y N 1.357 121.655 120.300 -0.002 0.000 2.619 564 Y HA -0.142 -0.858 4.550 -8.778 0.000 0.308 564 Y C 2.570 178.431 175.900 -0.066 0.000 1.192 564 Y CA 0.252 58.318 58.100 -0.056 0.000 1.319 564 Y CB 0.171 38.555 38.460 -0.127 0.000 1.030 564 Y HN 0.394 nan 8.280 nan 0.000 0.517 565 S N 0.264 116.003 115.700 0.065 0.000 2.357 565 S HA -0.109 -0.902 4.470 -8.770 0.000 0.221 565 S C 0.901 175.506 174.600 0.008 0.000 1.031 565 S CA 0.105 58.324 58.200 0.033 0.000 0.982 565 S CB -0.392 62.824 63.200 0.028 0.000 0.853 565 S HN 0.403 nan 8.310 nan 0.000 0.458 566 K N 2.022 122.413 120.400 -0.014 0.000 2.098 566 K HA 0.554 -0.388 4.320 -8.770 0.000 0.257 566 K C -3.074 173.492 176.600 -0.057 0.000 0.999 566 K CA -2.097 54.170 56.287 -0.033 0.000 0.924 566 K CB -0.471 32.006 32.500 -0.038 0.000 1.028 566 K HN -0.004 nan 8.250 nan 0.000 0.466 567 P HA -0.047 nan 4.420 nan 0.000 0.266 567 P C -0.707 176.511 177.300 -0.137 0.000 1.195 567 P CA -0.299 62.755 63.100 -0.076 0.000 0.768 567 P CB 0.280 31.944 31.700 -0.061 0.000 0.838 568 I N 2.959 123.422 120.570 -0.179 0.000 2.329 568 I HA 0.152 -0.940 4.170 -8.770 0.000 0.295 568 I C 0.626 176.595 176.117 -0.247 0.000 1.109 568 I CA 0.852 61.960 61.300 -0.319 0.000 1.297 568 I CB -0.134 37.606 38.000 -0.433 0.000 1.433 568 I HN 0.338 nan 8.210 nan 0.000 0.509 569 Q N 4.902 124.569 119.800 -0.223 0.000 1.835 569 Q HA 0.347 -0.575 4.340 -8.770 0.000 0.148 569 Q C 0.933 176.862 176.000 -0.119 0.000 0.545 569 Q CA 0.522 56.236 55.803 -0.147 0.000 0.840 569 Q CB -0.004 28.676 28.738 -0.096 0.000 0.985 569 Q HN 0.546 nan 8.270 nan 0.000 0.258 570 G N 1.679 110.424 108.800 -0.092 0.000 3.541 570 G HA2 0.334 -0.969 3.960 -8.770 0.000 0.253 570 G HA3 0.334 -0.969 3.960 -8.770 0.000 0.253 570 G C -0.723 174.146 174.900 -0.051 0.000 1.017 570 G CA 0.007 45.072 45.100 -0.058 0.000 1.832 570 G HN 0.125 nan 8.290 nan 0.000 0.649 571 Q N -0.169 119.595 119.800 -0.061 0.000 2.323 571 Q HA 0.320 -0.602 4.340 -8.770 0.000 0.271 571 Q C -0.905 175.156 176.000 0.100 0.000 1.048 571 Q CA -0.838 54.965 55.803 -0.000 0.000 0.792 571 Q CB 2.423 31.132 28.738 -0.048 0.000 1.280 571 Q HN 0.268 nan 8.270 nan 0.000 0.441 572 Q N 2.230 122.093 119.800 0.105 0.000 2.279 572 Q HA 0.131 -0.791 4.340 -8.770 0.000 0.256 572 Q C -0.996 175.075 176.000 0.119 0.000 0.937 572 Q CA -0.061 55.804 55.803 0.104 0.000 0.933 572 Q CB 0.871 29.637 28.738 0.047 0.000 1.189 572 Q HN 0.333 nan 8.270 nan 0.000 0.417 573 K N 3.677 124.142 120.400 0.108 0.000 2.412 573 K HA 0.064 -0.878 4.320 -8.770 0.000 0.284 573 K C -0.718 175.811 176.600 -0.118 0.000 1.046 573 K CA -0.065 56.139 56.287 -0.138 0.000 0.999 573 K CB 0.412 32.860 32.500 -0.087 0.000 0.941 573 K HN 0.490 nan 8.250 nan 0.000 0.474 574 K N 5.530 125.821 120.400 -0.181 0.000 2.401 574 K HA 0.117 -0.826 4.320 -8.770 0.000 0.278 574 K C -2.244 174.383 176.600 0.045 0.000 1.018 574 K CA -1.561 54.696 56.287 -0.049 0.000 0.981 574 K CB 0.426 32.911 32.500 -0.025 0.000 0.933 574 K HN 0.477 nan 8.250 nan 0.000 0.477 575 P HA -0.089 nan 4.420 nan 0.000 0.269 575 P C 0.131 177.436 177.300 0.007 0.000 1.217 575 P CA -0.086 63.042 63.100 0.046 0.000 0.783 575 P CB 0.361 32.060 31.700 -0.002 0.000 0.898 576 F N 1.324 121.193 119.950 -0.135 0.000 2.202 576 F HA -0.222 -0.925 4.527 -8.718 0.000 0.301 576 F C 1.703 177.159 175.800 -0.574 0.000 1.082 576 F CA 1.238 59.031 58.000 -0.344 0.000 1.313 576 F CB 0.073 38.988 39.000 -0.142 0.000 1.024 576 F HN 0.296 nan 8.300 nan 0.000 0.495 577 Q N 0.219 119.768 119.800 -0.418 0.000 2.244 577 Q HA 0.062 -0.860 4.340 -8.770 0.000 0.239 577 Q C 0.184 175.836 176.000 -0.581 0.000 0.890 577 Q CA 0.372 55.849 55.803 -0.544 0.000 0.964 577 Q CB 0.235 28.827 28.738 -0.243 0.000 1.076 577 Q HN 0.595 nan 8.270 nan 0.000 0.447 578 E N 0.535 120.345 120.200 -0.650 0.000 2.633 578 E HA 0.050 -0.862 4.350 -8.770 0.000 0.222 578 E C -0.295 175.995 176.600 -0.516 0.000 0.899 578 E CA -0.090 56.016 56.400 -0.490 0.000 1.292 578 E CB 0.593 30.159 29.700 -0.224 0.000 1.257 578 E HN 0.544 nan 8.360 nan 0.000 0.626 579 H N -2.089 116.631 119.070 -0.582 0.000 2.569 579 H HA 0.194 -0.512 4.556 -8.769 0.000 0.357 579 H C -0.708 174.242 175.328 -0.630 0.000 1.153 579 H CA -0.956 54.809 56.048 -0.472 0.000 1.193 579 H CB 0.598 30.220 29.762 -0.234 0.000 1.602 579 H HN 0.034 nan 8.280 nan 0.000 0.523 580 W N 1.726 122.986 121.300 -0.066 0.000 3.305 580 W HA 0.282 4.799 4.660 -0.239 0.000 0.392 580 W C 1.215 177.735 176.519 0.001 0.000 1.121 580 W CA -0.643 56.620 57.345 -0.138 0.000 1.909 580 W CB 0.409 29.819 29.460 -0.084 0.000 1.065 580 W HN 0.378 nan 8.180 nan 0.000 0.714 581 R N 3.178 123.838 120.500 0.267 0.000 4.556 581 R HA 0.067 -0.855 4.340 -8.770 0.000 0.197 581 R C -0.039 176.356 176.300 0.158 0.000 1.791 581 R CA 0.268 56.506 56.100 0.231 0.000 1.526 581 R CB -0.852 29.575 30.300 0.212 0.000 1.410 581 R HN 0.083 nan 8.270 nan 0.000 0.826 582 K N -0.251 120.193 120.400 0.075 0.000 2.556 582 K HA 0.263 -0.680 4.320 -8.770 0.000 0.274 582 K C -1.229 175.450 176.600 0.130 0.000 0.966 582 K CA -1.035 55.290 56.287 0.064 0.000 0.865 582 K CB 1.159 33.626 32.500 -0.055 0.000 1.444 582 K HN 0.085 nan 8.250 nan 0.000 0.433 583 H N 1.200 120.471 119.070 0.334 0.000 2.722 583 H HA 0.115 -0.588 4.556 -8.764 0.000 0.328 583 H C -0.334 175.178 175.328 0.308 0.000 1.067 583 H CA -0.008 56.204 56.048 0.273 0.000 1.447 583 H CB 1.069 30.929 29.762 0.163 0.000 1.469 583 H HN 0.499 nan 8.280 nan 0.000 0.544 584 T N 6.033 120.815 114.554 0.379 0.000 2.855 584 T HA 0.214 -0.698 4.350 -8.770 0.000 0.290 584 T C 0.992 175.638 174.700 -0.090 0.000 0.941 584 T CA -0.473 61.687 62.100 0.099 0.000 1.030 584 T CB -0.368 68.610 68.868 0.183 0.000 0.935 584 T HN 0.234 nan 8.240 nan 0.000 0.564 585 L N 3.857 124.926 121.223 -0.257 0.000 2.276 585 L HA 0.441 -0.481 4.340 -8.770 0.000 0.286 585 L C 0.639 177.310 176.870 -0.330 0.000 1.061 585 L CA -0.537 54.133 54.840 -0.283 0.000 0.807 585 L CB 0.831 42.710 42.059 -0.301 0.000 1.177 585 L HN 0.611 nan 8.230 nan 0.000 0.429 586 S N 2.106 117.592 115.700 -0.358 0.000 2.502 586 S HA 0.703 -0.089 4.470 -8.770 0.000 0.304 586 S C -0.958 173.392 174.600 -0.417 0.000 1.097 586 S CA -0.791 57.238 58.200 -0.284 0.000 1.045 586 S CB 1.270 64.356 63.200 -0.190 0.000 1.019 586 S HN 0.333 nan 8.310 nan 0.000 0.481 587 Y N 0.706 120.927 120.300 -0.132 0.000 2.602 587 Y HA 0.813 0.098 4.550 -8.774 0.000 0.330 587 Y C -0.017 175.789 175.900 -0.157 0.000 1.114 587 Y CA -1.089 56.938 58.100 -0.121 0.000 1.182 587 Y CB 1.906 40.309 38.460 -0.094 0.000 1.305 587 Y HN 0.700 nan 8.280 nan 0.000 0.502 588 V N 1.394 121.320 119.914 0.020 0.000 2.789 588 V HA 0.267 -0.875 4.120 -8.770 0.000 0.300 588 V C -1.686 174.361 176.094 -0.077 0.000 1.184 588 V CA -0.689 61.549 62.300 -0.103 0.000 0.930 588 V CB 1.711 33.406 31.823 -0.214 0.000 1.041 588 V HN 0.830 nan 8.190 nan 0.000 0.430 589 D N 4.446 124.790 120.400 -0.093 0.000 2.371 589 D HA 0.236 -0.386 4.640 -8.770 0.000 0.256 589 D C 1.047 177.313 176.300 -0.056 0.000 1.193 589 D CA 0.401 54.365 54.000 -0.060 0.000 0.881 589 D CB 1.930 42.696 40.800 -0.056 0.000 1.143 589 D HN 0.357 nan 8.370 nan 0.000 0.473 590 V N 4.741 124.657 119.914 0.004 0.000 2.515 590 V HA -0.160 -1.302 4.120 -8.770 0.000 0.250 590 V C 2.360 178.552 176.094 0.163 0.000 1.058 590 V CA 1.361 63.712 62.300 0.086 0.000 1.064 590 V CB -0.601 31.272 31.823 0.082 0.000 0.675 590 V HN 0.623 nan 8.190 nan 0.000 0.461 591 K N 0.820 121.273 120.400 0.087 0.000 2.007 591 K HA -0.155 -1.097 4.320 -8.770 0.000 0.206 591 K C 2.313 178.983 176.600 0.116 0.000 1.047 591 K CA 2.007 58.346 56.287 0.088 0.000 0.937 591 K CB -0.197 32.326 32.500 0.038 0.000 0.718 591 K HN 0.652 nan 8.250 nan 0.000 0.438 592 T N -3.585 111.006 114.554 0.061 0.000 3.009 592 T HA 0.157 -0.755 4.350 -8.770 0.000 0.258 592 T C 1.333 176.043 174.700 0.016 0.000 1.063 592 T CA 0.741 62.867 62.100 0.043 0.000 1.139 592 T CB 0.247 69.114 68.868 -0.002 0.000 0.890 592 T HN 0.399 nan 8.240 nan 0.000 0.471 593 G N 1.546 110.275 108.800 -0.118 0.000 2.132 593 G HA2 -0.249 -1.551 3.960 -8.770 0.000 0.234 593 G HA3 -0.249 -1.551 3.960 -8.770 0.000 0.234 593 G C -0.087 174.588 174.900 -0.375 0.000 0.989 593 G CA 0.134 44.959 45.100 -0.459 0.000 0.676 593 G HN 0.824 nan 8.290 nan 0.000 0.522 594 K N 0.645 120.896 120.400 -0.247 0.000 2.339 594 K HA 0.473 -0.469 4.320 -8.770 0.000 0.286 594 K C 0.213 176.622 176.600 -0.318 0.000 1.050 594 K CA -0.396 55.740 56.287 -0.251 0.000 0.956 594 K CB 0.667 33.084 32.500 -0.139 0.000 0.990 594 K HN 0.029 nan 8.250 nan 0.000 0.475 595 V N 4.857 124.479 119.914 -0.487 0.000 2.318 595 V HA 0.137 -1.005 4.120 -8.770 0.000 0.271 595 V C -0.243 175.700 176.094 -0.252 0.000 1.030 595 V CA -0.633 61.395 62.300 -0.454 0.000 0.844 595 V CB 0.799 32.159 31.823 -0.773 0.000 1.015 595 V HN 0.881 nan 8.190 nan 0.000 0.460 596 S N 6.569 122.201 115.700 -0.112 0.000 2.509 596 S HA 0.913 0.120 4.470 -8.770 0.000 0.297 596 S C -0.705 173.916 174.600 0.035 0.000 1.118 596 S CA -0.786 57.397 58.200 -0.028 0.000 1.074 596 S CB 1.701 64.885 63.200 -0.026 0.000 1.038 596 S HN 0.725 nan 8.310 nan 0.000 0.498 597 L N 0.031 121.268 121.223 0.023 0.000 2.436 597 L HA 0.830 -0.092 4.340 -8.770 0.000 0.268 597 L C -0.621 176.194 176.870 -0.090 0.000 0.974 597 L CA -0.925 53.890 54.840 -0.042 0.000 0.826 597 L CB 1.645 43.625 42.059 -0.132 0.000 1.291 597 L HN 0.887 nan 8.230 nan 0.000 0.406 598 E N 1.494 121.614 120.200 -0.133 0.000 2.412 598 E HA 0.632 -0.280 4.350 -8.770 0.000 0.255 598 E C -1.600 174.746 176.600 -0.422 0.000 0.933 598 E CA -1.019 55.313 56.400 -0.113 0.000 0.823 598 E CB 1.694 31.459 29.700 0.108 0.000 1.352 598 E HN 0.582 nan 8.360 nan 0.000 0.406 599 Y N -0.925 119.428 120.300 0.088 0.000 2.512 599 Y HA 0.484 -0.194 4.550 -8.714 0.000 0.348 599 Y C -0.253 175.745 175.900 0.164 0.000 0.990 599 Y CA -1.014 57.163 58.100 0.128 0.000 1.033 599 Y CB 2.527 41.064 38.460 0.128 0.000 1.259 599 Y HN 0.406 nan 8.280 nan 0.000 0.461 600 R N 2.906 123.623 120.500 0.362 0.000 2.599 600 R HA 0.556 -0.366 4.340 -8.770 0.000 0.295 600 R C -3.072 173.556 176.300 0.546 0.000 0.963 600 R CA -2.147 54.177 56.100 0.374 0.000 0.883 600 R CB 1.637 32.069 30.300 0.220 0.000 1.171 600 R HN 0.299 nan 8.270 nan 0.000 0.450 601 P HA -0.039 nan 4.420 nan 0.000 0.268 601 P C -0.593 176.915 177.300 0.347 0.000 1.205 601 P CA -0.366 62.961 63.100 0.379 0.000 0.771 601 P CB 0.633 32.386 31.700 0.088 0.000 0.858 602 V N 1.337 121.396 119.914 0.242 0.000 2.811 602 V HA 0.211 -0.931 4.120 -8.770 0.000 0.302 602 V C 0.324 176.563 176.094 0.241 0.000 1.063 602 V CA -0.280 62.140 62.300 0.199 0.000 1.088 602 V CB -0.212 31.645 31.823 0.056 0.000 0.982 602 V HN 0.265 nan 8.190 nan 0.000 0.485 603 I N 3.504 124.235 120.570 0.269 0.000 2.337 603 I HA 0.284 -0.808 4.170 -8.770 0.000 0.291 603 I C 0.521 176.754 176.117 0.194 0.000 1.046 603 I CA 0.021 61.444 61.300 0.206 0.000 1.324 603 I CB 0.817 38.932 38.000 0.191 0.000 1.409 603 I HN 0.663 nan 8.210 nan 0.000 0.494 604 D N 4.114 124.620 120.400 0.176 0.000 2.323 604 D HA -0.004 -0.626 4.640 -8.770 0.000 0.218 604 D C 0.555 176.964 176.300 0.182 0.000 0.973 604 D CA 0.684 54.797 54.000 0.188 0.000 0.890 604 D CB 0.295 41.201 40.800 0.176 0.000 1.011 604 D HN 0.457 nan 8.370 nan 0.000 0.499 605 K N 1.633 122.117 120.400 0.140 0.000 2.416 605 K HA 0.231 -0.711 4.320 -8.770 0.000 0.283 605 K C 0.377 177.031 176.600 0.091 0.000 1.037 605 K CA -0.246 56.105 56.287 0.107 0.000 0.995 605 K CB 0.470 33.013 32.500 0.072 0.000 0.938 605 K HN -0.113 nan 8.250 nan 0.000 0.475 606 T N 0.431 115.034 114.554 0.083 0.000 2.770 606 T HA 0.169 -0.743 4.350 -8.770 0.000 0.281 606 T C 1.292 175.891 174.700 -0.168 0.000 0.981 606 T CA -0.815 61.300 62.100 0.025 0.000 0.955 606 T CB 0.366 69.299 68.868 0.109 0.000 1.060 606 T HN 0.531 nan 8.240 nan 0.000 0.531 607 L N -0.111 120.819 121.223 -0.488 0.000 2.093 607 L HA 0.119 -0.803 4.340 -8.770 0.000 0.208 607 L C 0.912 177.575 176.870 -0.345 0.000 1.085 607 L CA 1.107 55.607 54.840 -0.567 0.000 0.755 607 L CB -0.426 41.107 42.059 -0.876 0.000 0.904 607 L HN 0.667 nan 8.230 nan 0.000 0.435 608 N N -1.155 117.379 118.700 -0.277 0.000 2.519 608 N HA 0.068 -0.454 4.740 -8.770 0.000 0.291 608 N C 0.227 175.758 175.510 0.034 0.000 1.107 608 N CA -0.216 52.802 53.050 -0.053 0.000 0.904 608 N CB 1.405 39.900 38.487 0.012 0.000 1.500 608 N HN -0.114 nan 8.380 nan 0.000 0.510 609 E N 3.106 123.318 120.200 0.020 0.000 2.110 609 E HA -0.000 -0.912 4.350 -8.770 0.000 0.193 609 E C 1.410 178.029 176.600 0.032 0.000 0.988 609 E CA 1.872 58.291 56.400 0.032 0.000 0.804 609 E CB -0.006 29.711 29.700 0.029 0.000 0.745 609 E HN 0.654 nan 8.360 nan 0.000 0.458 610 A N 0.157 122.996 122.820 0.032 0.000 1.930 610 A HA -0.140 -1.082 4.320 -8.770 0.000 0.217 610 A C 2.024 179.631 177.584 0.037 0.000 1.175 610 A CA 1.800 53.854 52.037 0.029 0.000 0.627 610 A CB -0.570 18.447 19.000 0.027 0.000 0.815 610 A HN 0.349 nan 8.150 nan 0.000 0.443 611 D N -2.158 118.286 120.400 0.074 0.000 2.249 611 D HA 0.011 -0.611 4.640 -8.770 0.000 0.205 611 D C 0.064 176.391 176.300 0.046 0.000 0.962 611 D CA 0.927 54.991 54.000 0.107 0.000 0.860 611 D CB 0.216 41.140 40.800 0.207 0.000 0.955 611 D HN 0.291 nan 8.370 nan 0.000 0.505 612 C N 0.879 120.202 119.300 0.038 0.000 2.727 612 C HA 0.786 -0.016 4.460 -8.770 0.000 0.369 612 C C -0.477 174.461 174.990 -0.087 0.000 1.067 612 C CA -0.718 58.217 59.018 -0.138 0.000 1.273 612 C CB -0.185 27.358 27.740 -0.328 0.000 1.778 612 C HN 0.305 nan 8.230 nan 0.000 0.467 613 A N 4.684 127.471 122.820 -0.055 0.000 2.371 613 A HA 0.603 -0.339 4.320 -8.770 0.000 0.257 613 A C 0.581 178.246 177.584 0.134 0.000 1.089 613 A CA 0.239 52.293 52.037 0.029 0.000 0.794 613 A CB 0.241 19.248 19.000 0.011 0.000 1.029 613 A HN 0.921 nan 8.150 nan 0.000 0.488 614 T N 1.845 116.503 114.554 0.174 0.000 2.870 614 T HA 0.327 -0.586 4.350 -8.770 0.000 0.300 614 T C 0.134 175.025 174.700 0.317 0.000 0.989 614 T CA 0.013 62.285 62.100 0.287 0.000 1.139 614 T CB 0.335 69.332 68.868 0.214 0.000 0.920 614 T HN 0.387 nan 8.240 nan 0.000 0.537 615 V N 7.992 128.170 119.914 0.442 0.000 2.368 615 V HA 0.247 -0.895 4.120 -8.770 0.000 0.266 615 V C -1.954 174.396 176.094 0.426 0.000 1.045 615 V CA -1.857 60.709 62.300 0.444 0.000 0.899 615 V CB 0.632 32.776 31.823 0.535 0.000 1.006 615 V HN 0.719 nan 8.190 nan 0.000 0.470 616 P HA 0.296 nan 4.420 nan 0.000 0.275 616 P C -2.659 174.397 177.300 -0.407 0.000 1.228 616 P CA -1.637 61.460 63.100 -0.005 0.000 0.786 616 P CB -0.026 31.669 31.700 -0.008 0.000 0.927 617 P HA 0.272 nan 4.420 nan 0.000 0.266 617 P C -0.805 175.565 177.300 -1.550 0.000 1.195 617 P CA 0.567 62.397 63.100 -2.117 0.000 0.768 617 P CB 0.360 30.976 31.700 -1.806 0.000 0.838 618 A N 2.692 124.549 122.820 -1.604 0.000 2.602 618 A HA 0.612 -0.330 4.320 -8.770 0.000 0.290 618 A C -0.797 176.529 177.584 -0.429 0.000 1.114 618 A CA -0.822 50.812 52.037 -0.671 0.000 0.683 618 A CB 0.589 19.383 19.000 -0.343 0.000 1.281 618 A HN 0.420 nan 8.150 nan 0.000 0.416 619 I N 0.925 121.417 120.570 -0.130 0.000 2.618 619 I HA 0.271 -0.821 4.170 -8.770 0.000 0.284 619 I C 0.853 177.007 176.117 0.062 0.000 1.146 619 I CA 0.440 61.736 61.300 -0.006 0.000 1.425 619 I CB 0.366 38.380 38.000 0.023 0.000 1.383 619 I HN 0.661 nan 8.210 nan 0.000 0.562 620 R N 3.796 124.376 120.500 0.134 0.000 2.407 620 R HA 0.479 -0.443 4.340 -8.770 0.000 0.298 620 R C -1.102 175.274 176.300 0.127 0.000 1.166 620 R CA -0.552 55.644 56.100 0.159 0.000 1.006 620 R CB 0.966 31.446 30.300 0.299 0.000 1.145 620 R HN 0.657 nan 8.270 nan 0.000 0.538 621 S N 3.131 118.880 115.700 0.081 0.000 2.622 621 S HA 0.236 -0.556 4.470 -8.770 0.000 0.283 621 S C -0.460 174.200 174.600 0.101 0.000 1.197 621 S CA -0.713 57.551 58.200 0.107 0.000 1.146 621 S CB 0.172 63.428 63.200 0.094 0.000 1.007 621 S HN 0.575 nan 8.310 nan 0.000 0.478 622 Y N 0.000 120.343 120.300 0.071 0.000 2.660 622 Y HA 0.000 -0.713 4.550 -8.772 0.000 0.201 622 Y CA 0.000 58.132 58.100 0.054 0.000 1.940 622 Y CB 0.000 38.480 38.460 0.034 0.000 1.050 622 Y HN 0.000 nan 8.280 nan 0.000 0.758