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 3aeb_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 0.000 174.657 174.600 0.095 0.000 1.055 10 S CA 0.000 58.274 58.200 0.124 0.000 1.107 10 S CB 0.000 63.257 63.200 0.094 0.000 0.593 11 T N 1.107 115.703 114.554 0.071 0.000 8.089 11 T HA -0.276 1.367 4.350 -4.511 0.000 0.315 11 T C 1.223 175.929 174.700 0.010 0.000 2.025 11 T CA 2.137 64.257 62.100 0.034 0.000 3.021 11 T CB -0.944 67.934 68.868 0.018 0.000 2.356 11 T HN 0.785 nan 8.240 nan 0.000 1.220 12 Q N -0.956 118.849 119.800 0.008 0.000 2.211 12 Q HA 0.174 1.807 4.340 -4.511 0.000 0.242 12 Q C -0.245 175.599 176.000 -0.261 0.000 0.825 12 Q CA 0.124 55.856 55.803 -0.118 0.000 0.951 12 Q CB 0.709 29.354 28.738 -0.155 0.000 1.130 12 Q HN 0.611 nan 8.270 nan 0.000 0.496 13 Y N 2.575 122.889 120.300 0.023 0.000 2.328 13 Y HA 0.542 2.385 4.550 -4.511 0.000 0.336 13 Y C -2.204 173.695 175.900 -0.001 0.000 0.960 13 Y CA -2.313 55.797 58.100 0.016 0.000 1.134 13 Y CB 1.710 40.181 38.460 0.019 0.000 1.166 13 Y HN 0.026 nan 8.280 nan 0.000 0.464 14 P HA 0.227 nan 4.420 nan 0.000 0.280 14 P C -1.198 176.113 177.300 0.019 0.000 1.244 14 P CA -0.469 62.663 63.100 0.052 0.000 0.784 14 P CB 0.957 32.672 31.700 0.026 0.000 0.913 15 V N 1.370 121.278 119.914 -0.009 0.000 2.357 15 V HA 0.510 1.924 4.120 -4.511 0.000 0.284 15 V C -0.296 175.749 176.094 -0.083 0.000 1.018 15 V CA -0.842 61.430 62.300 -0.047 0.000 0.841 15 V CB 1.613 33.430 31.823 -0.009 0.000 0.991 15 V HN 0.192 nan 8.190 nan 0.000 0.437 16 V N 3.918 123.734 119.914 -0.164 0.000 2.334 16 V HA 0.425 1.839 4.120 -4.511 0.000 0.281 16 V C -0.533 175.503 176.094 -0.098 0.000 1.016 16 V CA -0.222 61.990 62.300 -0.146 0.000 0.832 16 V CB 1.203 32.936 31.823 -0.150 0.000 0.999 16 V HN 0.919 nan 8.190 nan 0.000 0.439 17 D N 3.502 123.830 120.400 -0.119 0.000 2.277 17 D HA 0.407 2.340 4.640 -4.511 0.000 0.249 17 D C 0.008 176.207 176.300 -0.169 0.000 1.134 17 D CA 0.043 54.006 54.000 -0.063 0.000 0.863 17 D CB 0.552 41.336 40.800 -0.027 0.000 1.143 17 D HN 0.518 nan 8.370 nan 0.000 0.458 18 H N 0.939 120.083 119.070 0.124 0.000 2.651 18 H HA 0.504 2.353 4.556 -4.511 0.000 0.353 18 H C -0.509 174.838 175.328 0.031 0.000 1.178 18 H CA -0.617 55.504 56.048 0.122 0.000 1.224 18 H CB 2.019 31.986 29.762 0.342 0.000 1.702 18 H HN 0.394 nan 8.280 nan 0.000 0.550 19 E N 1.486 121.655 120.200 -0.053 0.000 2.260 19 E HA 0.400 2.043 4.350 -4.511 0.000 0.266 19 E C -1.691 174.661 176.600 -0.413 0.000 0.887 19 E CA -0.308 56.023 56.400 -0.115 0.000 0.777 19 E CB 1.260 30.898 29.700 -0.103 0.000 1.205 19 E HN 0.295 nan 8.360 nan 0.000 0.414 20 F N 1.398 121.385 119.950 0.061 0.000 2.664 20 F HA 0.284 2.104 4.527 -4.511 0.000 0.317 20 F C 0.966 176.797 175.800 0.051 0.000 1.108 20 F CA -0.763 57.268 58.000 0.052 0.000 0.957 20 F CB 1.621 40.641 39.000 0.032 0.000 1.365 20 F HN 0.396 nan 8.300 nan 0.000 0.475 21 D N 0.573 121.150 120.400 0.295 0.000 2.123 21 D HA 0.176 2.109 4.640 -4.511 0.000 0.200 21 D C 0.161 176.570 176.300 0.182 0.000 0.976 21 D CA 1.230 55.380 54.000 0.251 0.000 0.831 21 D CB 0.230 41.253 40.800 0.371 0.000 0.974 21 D HN 0.417 nan 8.370 nan 0.000 0.469 22 A N -0.104 122.793 122.820 0.129 0.000 2.515 22 A HA 0.569 2.183 4.320 -4.511 0.000 0.298 22 A C -1.169 176.359 177.584 -0.095 0.000 1.059 22 A CA -0.560 51.459 52.037 -0.029 0.000 0.698 22 A CB 1.952 20.855 19.000 -0.162 0.000 1.289 22 A HN -0.107 nan 8.150 nan 0.000 0.404 23 V N 1.716 121.552 119.914 -0.131 0.000 2.495 23 V HA 0.542 1.955 4.120 -4.511 0.000 0.298 23 V C -0.451 175.531 176.094 -0.186 0.000 1.031 23 V CA -0.593 61.584 62.300 -0.205 0.000 0.871 23 V CB 1.612 33.322 31.823 -0.188 0.000 0.988 23 V HN 0.687 nan 8.190 nan 0.000 0.432 24 V N 5.225 125.012 119.914 -0.211 0.000 2.417 24 V HA 0.404 1.817 4.120 -4.511 0.000 0.291 24 V C -0.126 175.879 176.094 -0.148 0.000 1.024 24 V CA -0.607 61.594 62.300 -0.164 0.000 0.861 24 V CB 1.889 33.615 31.823 -0.161 0.000 0.985 24 V HN 0.618 nan 8.190 nan 0.000 0.436 25 V N 4.456 124.299 119.914 -0.118 0.000 2.288 25 V HA 0.879 2.292 4.120 -4.511 0.000 0.266 25 V C 0.604 176.650 176.094 -0.080 0.000 1.048 25 V CA 0.301 62.534 62.300 -0.111 0.000 0.842 25 V CB 0.374 32.125 31.823 -0.119 0.000 1.064 25 V HN 1.217 nan 8.190 nan 0.000 0.472 26 G N 3.514 112.279 108.800 -0.059 0.000 2.306 26 G HA2 0.484 1.737 3.960 -4.511 0.000 0.340 26 G HA3 0.484 1.737 3.960 -4.511 0.000 0.340 26 G C -0.394 174.505 174.900 -0.002 0.000 1.630 26 G CA -0.064 45.018 45.100 -0.030 0.000 0.937 26 G HN 1.056 nan 8.290 nan 0.000 0.693 27 A N 0.498 123.324 122.820 0.010 0.000 2.610 27 A HA 0.781 2.394 4.320 -4.511 0.000 0.291 27 A C 1.272 178.859 177.584 0.005 0.000 1.116 27 A CA 1.205 53.254 52.037 0.020 0.000 0.963 27 A CB -0.067 18.931 19.000 -0.004 0.000 1.220 27 A HN 2.007 nan 8.150 nan 0.000 0.530 28 G N -0.589 108.224 108.800 0.022 0.000 2.546 28 G HA2 0.399 1.652 3.960 -4.511 0.000 0.239 28 G HA3 0.399 1.652 3.960 -4.511 0.000 0.239 28 G C 1.176 176.109 174.900 0.054 0.000 1.476 28 G CA 0.255 45.377 45.100 0.035 0.000 1.064 28 G HN 0.509 nan 8.290 nan 0.000 0.561 29 G N -0.015 108.829 108.800 0.072 0.000 2.480 29 G HA2 0.020 1.273 3.960 -4.511 0.000 0.216 29 G HA3 0.020 1.273 3.960 -4.511 0.000 0.216 29 G C 2.053 177.004 174.900 0.085 0.000 1.200 29 G CA 2.163 47.319 45.100 0.093 0.000 0.782 29 G HN 0.930 nan 8.290 nan 0.000 0.554 30 A N 0.876 123.745 122.820 0.082 0.000 1.865 30 A HA 0.101 1.714 4.320 -4.511 0.000 0.217 30 A C 2.765 180.359 177.584 0.017 0.000 1.191 30 A CA 2.383 54.459 52.037 0.064 0.000 0.623 30 A CB -1.327 17.722 19.000 0.081 0.000 0.826 30 A HN 0.658 nan 8.150 nan 0.000 0.444 31 G N -0.394 108.417 108.800 0.019 0.000 2.476 31 G HA2 -0.165 1.089 3.960 -4.511 0.000 0.218 31 G HA3 -0.165 1.089 3.960 -4.511 0.000 0.218 31 G C 1.418 176.322 174.900 0.007 0.000 1.164 31 G CA 1.347 46.447 45.100 -0.001 0.000 0.768 31 G HN 0.337 nan 8.290 nan 0.000 0.560 32 L N 0.364 121.624 121.223 0.062 0.000 1.976 32 L HA 0.073 1.706 4.340 -4.511 0.000 0.209 32 L C 2.799 179.676 176.870 0.011 0.000 1.071 32 L CA 1.641 56.567 54.840 0.145 0.000 0.746 32 L CB -1.015 41.172 42.059 0.213 0.000 0.890 32 L HN 0.171 nan 8.230 nan 0.000 0.432 33 R N -0.025 120.431 120.500 -0.073 0.000 2.117 33 R HA -0.150 1.484 4.340 -4.511 0.000 0.243 33 R C 2.096 178.053 176.300 -0.571 0.000 1.143 33 R CA 1.775 57.641 56.100 -0.389 0.000 0.968 33 R CB -0.725 29.512 30.300 -0.106 0.000 0.863 33 R HN 0.383 nan 8.270 nan 0.000 0.444 34 A N -0.144 122.495 122.820 -0.303 0.000 1.897 34 A HA 0.075 1.689 4.320 -4.511 0.000 0.215 34 A C 2.353 179.743 177.584 -0.323 0.000 1.181 34 A CA 1.512 53.376 52.037 -0.288 0.000 0.620 34 A CB -1.043 17.848 19.000 -0.182 0.000 0.821 34 A HN 0.459 nan 8.150 nan 0.000 0.443 35 A N 0.211 122.888 122.820 -0.239 0.000 1.841 35 A HA -0.064 1.550 4.320 -4.511 0.000 0.216 35 A C 2.023 179.500 177.584 -0.179 0.000 1.199 35 A CA 1.906 53.836 52.037 -0.179 0.000 0.621 35 A CB -1.076 17.886 19.000 -0.064 0.000 0.835 35 A HN 1.131 nan 8.150 nan 0.000 0.445 36 F N 0.281 120.149 119.950 -0.136 0.000 2.407 36 F HA 0.244 2.064 4.527 -4.511 0.000 0.299 36 F C 1.954 177.496 175.800 -0.429 0.000 1.097 36 F CA 0.561 58.389 58.000 -0.286 0.000 1.422 36 F CB -1.126 37.757 39.000 -0.195 0.000 1.067 36 F HN 0.111 nan 8.300 nan 0.000 0.539 37 G N 1.731 110.047 108.800 -0.806 0.000 2.418 37 G HA2 -0.192 1.062 3.960 -4.511 0.000 0.217 37 G HA3 -0.192 1.062 3.960 -4.511 0.000 0.217 37 G C 1.730 176.456 174.900 -0.290 0.000 1.158 37 G CA 1.169 45.956 45.100 -0.521 0.000 0.771 37 G HN 0.470 nan 8.290 nan 0.000 0.545 38 L N 0.481 121.536 121.223 -0.280 0.000 2.056 38 L HA -0.052 1.581 4.340 -4.511 0.000 0.207 38 L C 3.197 180.056 176.870 -0.019 0.000 1.078 38 L CA 1.200 55.927 54.840 -0.189 0.000 0.749 38 L CB -0.233 41.674 42.059 -0.254 0.000 0.901 38 L HN 0.170 nan 8.230 nan 0.000 0.433 39 S N -0.866 114.779 115.700 -0.091 0.000 2.383 39 S HA -0.223 1.540 4.470 -4.511 0.000 0.227 39 S C 1.870 176.432 174.600 -0.064 0.000 1.026 39 S CA 1.169 59.349 58.200 -0.035 0.000 0.981 39 S CB -0.151 63.028 63.200 -0.036 0.000 0.818 39 S HN 0.399 nan 8.310 nan 0.000 0.472 40 E N 1.069 121.103 120.200 -0.276 0.000 2.118 40 E HA -0.134 1.509 4.350 -4.511 0.000 0.195 40 E C 1.826 178.452 176.600 0.043 0.000 0.992 40 E CA 1.022 57.337 56.400 -0.141 0.000 0.804 40 E CB -0.173 29.418 29.700 -0.182 0.000 0.741 40 E HN 0.490 nan 8.360 nan 0.000 0.458 41 A N -0.236 122.620 122.820 0.059 0.000 2.239 41 A HA 0.154 1.767 4.320 -4.511 0.000 0.209 41 A C 1.597 179.267 177.584 0.143 0.000 1.171 41 A CA 1.089 53.211 52.037 0.141 0.000 0.768 41 A CB -0.314 18.810 19.000 0.205 0.000 0.790 41 A HN 0.477 nan 8.150 nan 0.000 0.478 42 G N -2.494 106.367 108.800 0.102 0.000 2.148 42 G HA2 -0.196 1.057 3.960 -4.511 0.000 0.203 42 G HA3 -0.196 1.057 3.960 -4.511 0.000 0.203 42 G C -0.137 174.695 174.900 -0.112 0.000 0.993 42 G CA -0.143 44.946 45.100 -0.018 0.000 0.661 42 G HN 0.277 nan 8.290 nan 0.000 0.518 43 F N 1.377 121.316 119.950 -0.018 0.000 2.404 43 F HA 0.375 2.195 4.527 -4.510 0.000 0.345 43 F C 0.972 176.780 175.800 0.013 0.000 1.110 43 F CA -0.794 57.199 58.000 -0.013 0.000 1.130 43 F CB 1.081 40.054 39.000 -0.046 0.000 1.129 43 F HN 0.102 nan 8.300 nan 0.000 0.500 44 N N 2.851 121.667 118.700 0.193 0.000 2.406 44 N HA 0.040 2.073 4.740 -4.511 0.000 0.269 44 N C -0.989 174.694 175.510 0.288 0.000 1.210 44 N CA -0.053 53.127 53.050 0.217 0.000 0.966 44 N CB 0.247 38.844 38.487 0.184 0.000 1.293 44 N HN 0.569 nan 8.380 nan 0.000 0.491 45 T N 1.784 116.427 114.554 0.148 0.000 2.859 45 T HA 0.581 2.225 4.350 -4.511 0.000 0.281 45 T C -0.204 174.307 174.700 -0.315 0.000 1.005 45 T CA -0.681 61.392 62.100 -0.046 0.000 1.025 45 T CB 1.788 70.591 68.868 -0.108 0.000 0.977 45 T HN 0.513 nan 8.240 nan 0.000 0.458 46 A N 0.877 123.330 122.820 -0.613 0.000 2.340 46 A HA 0.708 2.322 4.320 -4.511 0.000 0.331 46 A C -0.412 176.870 177.584 -0.504 0.000 1.140 46 A CA -0.732 50.811 52.037 -0.824 0.000 0.801 46 A CB 0.991 19.132 19.000 -1.431 0.000 1.234 46 A HN 0.961 nan 8.150 nan 0.000 0.469 47 C N 2.595 121.644 119.300 -0.419 0.000 2.344 47 C HA 0.646 2.399 4.460 -4.511 0.000 0.326 47 C C -0.804 174.118 174.990 -0.113 0.000 1.201 47 C CA -0.303 58.549 59.018 -0.277 0.000 1.410 47 C CB -0.369 27.177 27.740 -0.322 0.000 2.070 47 C HN 0.671 nan 8.230 nan 0.000 0.445 48 V N 5.839 125.670 119.914 -0.140 0.000 2.370 48 V HA 0.695 2.108 4.120 -4.511 0.000 0.279 48 V C 0.398 176.475 176.094 -0.030 0.000 1.029 48 V CA 0.051 62.288 62.300 -0.106 0.000 0.870 48 V CB 1.483 33.172 31.823 -0.224 0.000 0.984 48 V HN 0.923 nan 8.190 nan 0.000 0.451 49 T N 3.644 118.231 114.554 0.055 0.000 2.952 49 T HA 0.343 1.987 4.350 -4.511 0.000 0.305 49 T C 0.637 175.404 174.700 0.112 0.000 1.064 49 T CA -0.633 61.501 62.100 0.057 0.000 1.008 49 T CB 1.582 70.483 68.868 0.054 0.000 1.078 49 T HN 0.833 nan 8.240 nan 0.000 0.459 50 K N 3.895 124.343 120.400 0.081 0.000 2.432 50 K HA 0.277 1.890 4.320 -4.511 0.000 0.196 50 K C 0.286 176.971 176.600 0.141 0.000 1.038 50 K CA 0.349 56.715 56.287 0.130 0.000 0.986 50 K CB 0.007 32.612 32.500 0.175 0.000 0.782 50 K HN 0.447 nan 8.250 nan 0.000 0.485 51 L N 0.433 121.737 121.223 0.135 0.000 2.309 51 L HA 0.425 2.058 4.340 -4.511 0.000 0.261 51 L C -0.428 176.541 176.870 0.165 0.000 1.021 51 L CA -1.584 53.357 54.840 0.167 0.000 0.823 51 L CB 1.072 43.216 42.059 0.141 0.000 1.366 51 L HN -0.125 nan 8.230 nan 0.000 0.423 52 F N 2.709 122.689 119.950 0.049 0.000 2.572 52 F HA 0.159 1.980 4.527 -4.511 0.000 0.370 52 F C -1.515 174.215 175.800 -0.117 0.000 1.103 52 F CA -1.156 56.823 58.000 -0.034 0.000 1.286 52 F CB 0.835 39.801 39.000 -0.057 0.000 1.105 52 F HN 0.293 nan 8.300 nan 0.000 0.583 53 P HA -0.192 nan 4.420 nan 0.000 0.217 53 P C 1.537 178.543 177.300 -0.490 0.000 1.151 53 P CA 2.131 64.862 63.100 -0.616 0.000 0.849 53 P CB 0.007 31.245 31.700 -0.770 0.000 0.787 54 T N -0.678 113.509 114.554 -0.611 0.000 2.867 54 T HA -0.088 1.555 4.350 -4.511 0.000 0.268 54 T C 1.579 176.249 174.700 -0.050 0.000 1.057 54 T CA 0.934 62.837 62.100 -0.329 0.000 1.136 54 T CB -0.370 68.351 68.868 -0.244 0.000 0.874 54 T HN 0.051 nan 8.240 nan 0.000 0.466 55 R N 1.812 122.357 120.500 0.075 0.000 2.285 55 R HA 0.179 1.813 4.340 -4.511 0.000 0.213 55 R C 1.152 177.503 176.300 0.085 0.000 1.068 55 R CA 0.047 56.215 56.100 0.114 0.000 1.004 55 R CB -0.888 29.512 30.300 0.167 0.000 0.873 55 R HN 0.275 nan 8.270 nan 0.000 0.467 56 S N 0.872 116.594 115.700 0.036 0.000 2.566 56 S HA -0.062 1.701 4.470 -4.511 0.000 0.280 56 S C 1.189 175.844 174.600 0.092 0.000 1.343 56 S CA -0.200 58.035 58.200 0.057 0.000 1.036 56 S CB 0.664 63.873 63.200 0.015 0.000 0.866 56 S HN 0.407 nan 8.310 nan 0.000 0.526 57 H N 2.046 121.128 119.070 0.021 0.000 2.421 57 H HA -0.111 1.739 4.556 -4.511 0.000 0.298 57 H C 2.362 177.707 175.328 0.027 0.000 1.087 57 H CA 2.232 58.291 56.048 0.017 0.000 1.330 57 H CB -0.420 29.337 29.762 -0.008 0.000 1.388 57 H HN 0.759 nan 8.280 nan 0.000 0.526 58 T N -2.132 112.457 114.554 0.059 0.000 2.869 58 T HA -0.179 1.464 4.350 -4.511 0.000 0.270 58 T C 2.179 176.868 174.700 -0.019 0.000 1.082 58 T CA 1.170 63.281 62.100 0.018 0.000 1.123 58 T CB -1.136 67.769 68.868 0.062 0.000 0.856 58 T HN 0.215 nan 8.240 nan 0.000 0.499 59 V N 1.394 121.302 119.914 -0.010 0.000 2.469 59 V HA -0.003 1.411 4.120 -4.511 0.000 0.251 59 V C 2.898 179.004 176.094 0.021 0.000 1.064 59 V CA 1.866 64.200 62.300 0.057 0.000 1.066 59 V CB -1.294 30.594 31.823 0.107 0.000 0.667 59 V HN 0.744 nan 8.190 nan 0.000 0.461 60 A N -0.274 122.458 122.820 -0.147 0.000 2.168 60 A HA 0.412 2.025 4.320 -4.511 0.000 0.215 60 A C 1.408 178.913 177.584 -0.132 0.000 1.152 60 A CA 0.784 52.699 52.037 -0.202 0.000 0.716 60 A CB -0.621 18.102 19.000 -0.461 0.000 0.794 60 A HN 0.817 nan 8.150 nan 0.000 0.465 61 A N -0.516 122.252 122.820 -0.087 0.000 2.540 61 A HA 0.338 1.951 4.320 -4.511 0.000 0.239 61 A C 0.777 178.381 177.584 0.033 0.000 1.061 61 A CA 0.420 52.456 52.037 -0.001 0.000 0.758 61 A CB 0.156 19.175 19.000 0.032 0.000 0.991 61 A HN 0.592 nan 8.150 nan 0.000 0.502 62 Q N 1.888 121.724 119.800 0.060 0.000 2.471 62 Q HA 0.101 1.735 4.340 -4.511 0.000 0.259 62 Q C 2.016 178.084 176.000 0.114 0.000 0.850 62 Q CA 0.567 56.412 55.803 0.070 0.000 0.981 62 Q CB 0.351 29.120 28.738 0.052 0.000 1.180 62 Q HN 0.897 nan 8.270 nan 0.000 0.571 63 G N 0.797 109.699 108.800 0.170 0.000 2.616 63 G HA2 0.244 1.497 3.960 -4.511 0.000 0.215 63 G HA3 0.244 1.497 3.960 -4.511 0.000 0.215 63 G C 0.555 175.443 174.900 -0.019 0.000 1.284 63 G CA 0.927 46.171 45.100 0.240 0.000 0.823 63 G HN 0.466 nan 8.290 nan 0.000 0.569 64 G N -1.556 107.150 108.800 -0.157 0.000 2.323 64 G HA2 0.387 1.640 3.960 -4.511 0.000 0.291 64 G HA3 0.387 1.640 3.960 -4.511 0.000 0.291 64 G C -1.887 172.937 174.900 -0.126 0.000 1.278 64 G CA -0.263 44.753 45.100 -0.139 0.000 0.860 64 G HN 0.764 nan 8.290 nan 0.000 0.504 65 I N 0.801 121.346 120.570 -0.043 0.000 2.447 65 I HA 0.426 1.889 4.170 -4.511 0.000 0.287 65 I C -0.974 175.113 176.117 -0.049 0.000 1.023 65 I CA -1.051 60.249 61.300 0.001 0.000 1.083 65 I CB 1.532 39.599 38.000 0.112 0.000 1.245 65 I HN 0.358 nan 8.210 nan 0.000 0.434 66 N N 6.486 125.142 118.700 -0.074 0.000 2.497 66 N HA 0.594 2.627 4.740 -4.511 0.000 0.271 66 N C -0.767 174.681 175.510 -0.104 0.000 1.142 66 N CA -0.052 52.906 53.050 -0.154 0.000 0.965 66 N CB 1.702 40.056 38.487 -0.221 0.000 1.077 66 N HN 0.686 nan 8.380 nan 0.000 0.462 67 A N 0.659 123.381 122.820 -0.163 0.000 2.513 67 A HA 0.631 2.245 4.320 -4.511 0.000 0.296 67 A C -0.470 177.055 177.584 -0.099 0.000 1.052 67 A CA -0.773 51.212 52.037 -0.087 0.000 0.714 67 A CB 0.852 19.805 19.000 -0.079 0.000 1.279 67 A HN 0.553 nan 8.150 nan 0.000 0.397 68 A N 2.398 125.210 122.820 -0.013 0.000 3.074 68 A HA 0.455 2.068 4.320 -4.511 0.000 0.251 68 A C 0.887 178.462 177.584 -0.015 0.000 1.695 68 A CA -0.080 51.960 52.037 0.004 0.000 1.343 68 A CB -1.094 17.966 19.000 0.100 0.000 1.078 68 A HN 0.878 nan 8.150 nan 0.000 0.644 69 L N 0.346 121.535 121.223 -0.056 0.000 2.275 69 L HA 0.040 1.673 4.340 -4.511 0.000 0.215 69 L C 1.725 178.562 176.870 -0.055 0.000 1.119 69 L CA 0.891 55.690 54.840 -0.068 0.000 0.790 69 L CB -0.240 41.753 42.059 -0.109 0.000 0.919 69 L HN 0.752 nan 8.230 nan 0.000 0.443 70 G N 0.601 109.375 108.800 -0.044 0.000 2.353 70 G HA2 -0.266 0.988 3.960 -4.511 0.000 0.294 70 G HA3 -0.266 0.988 3.960 -4.511 0.000 0.294 70 G C 0.357 175.239 174.900 -0.029 0.000 1.077 70 G CA 0.375 45.459 45.100 -0.027 0.000 1.098 70 G HN 0.318 nan 8.290 nan 0.000 0.511 71 N N -0.432 118.245 118.700 -0.039 0.000 2.415 71 N HA 0.131 2.164 4.740 -4.511 0.000 0.174 71 N C 2.352 177.844 175.510 -0.030 0.000 1.048 71 N CA 0.870 53.897 53.050 -0.038 0.000 0.895 71 N CB -0.063 38.391 38.487 -0.054 0.000 1.036 71 N HN 0.459 nan 8.380 nan 0.000 0.449 72 M N 0.439 120.016 119.600 -0.040 0.000 2.276 72 M HA 0.107 1.880 4.480 -4.511 0.000 0.262 72 M C 0.731 177.008 176.300 -0.038 0.000 1.098 72 M CA 1.100 56.364 55.300 -0.061 0.000 1.167 72 M CB -0.538 31.991 32.600 -0.118 0.000 1.337 72 M HN 0.085 nan 8.290 nan 0.000 0.446 73 E N 1.337 121.543 120.200 0.010 0.000 2.423 73 E HA 0.298 1.941 4.350 -4.511 0.000 0.269 73 E C -1.177 175.460 176.600 0.060 0.000 0.948 73 E CA -0.630 55.795 56.400 0.043 0.000 0.802 73 E CB 1.077 30.827 29.700 0.084 0.000 1.339 73 E HN 0.338 nan 8.360 nan 0.000 0.445 74 E N 1.299 121.543 120.200 0.073 0.000 2.376 74 E HA 0.288 1.931 4.350 -4.511 0.000 0.266 74 E C -0.760 175.904 176.600 0.105 0.000 1.009 74 E CA -0.089 56.346 56.400 0.058 0.000 0.902 74 E CB 0.551 30.280 29.700 0.050 0.000 0.972 74 E HN 0.380 nan 8.360 nan 0.000 0.439 75 D N 1.645 122.027 120.400 -0.029 0.000 2.523 75 D HA 0.346 2.279 4.640 -4.511 0.000 0.236 75 D C -1.471 174.543 176.300 -0.477 0.000 1.094 75 D CA -0.782 53.156 54.000 -0.104 0.000 0.942 75 D CB 1.724 42.535 40.800 0.018 0.000 1.447 75 D HN 0.440 nan 8.370 nan 0.000 0.479 76 N N 1.422 119.637 118.700 -0.809 0.000 2.260 76 N HA 0.114 2.147 4.740 -4.511 0.000 0.293 76 N C 0.948 176.160 175.510 -0.498 0.000 1.058 76 N CA -0.668 51.839 53.050 -0.907 0.000 0.824 76 N CB 1.128 38.579 38.487 -1.726 0.000 1.551 76 N HN 0.639 nan 8.380 nan 0.000 0.475 77 W N 4.049 125.197 121.300 -0.253 0.000 2.425 77 W HA -0.017 1.936 4.660 -4.513 0.000 0.277 77 W C 0.719 177.245 176.519 0.013 0.000 1.231 77 W CA 0.165 57.478 57.345 -0.055 0.000 1.248 77 W CB -0.376 29.061 29.460 -0.038 0.000 1.117 77 W HN 0.463 nan 8.180 nan 0.000 0.568 78 R N -0.278 119.772 120.500 -0.749 0.000 2.148 78 R HA -0.132 1.501 4.340 -4.511 0.000 0.227 78 R C 2.025 178.324 176.300 -0.002 0.000 1.103 78 R CA 2.008 57.800 56.100 -0.513 0.000 0.983 78 R CB -0.685 29.190 30.300 -0.709 0.000 0.874 78 R HN 0.103 nan 8.270 nan 0.000 0.451 79 W N 0.106 121.186 121.300 -0.367 0.000 2.402 79 W HA -0.084 1.869 4.660 -4.512 0.000 0.286 79 W C 2.025 178.585 176.519 0.070 0.000 1.221 79 W CA 0.631 57.767 57.345 -0.348 0.000 1.257 79 W CB -1.111 28.117 29.460 -0.388 0.000 1.120 79 W HN 0.345 nan 8.180 nan 0.000 0.551 80 H N -1.376 117.846 119.070 0.253 0.000 2.395 80 H HA -0.188 1.661 4.556 -4.511 0.000 0.299 80 H C 2.227 177.712 175.328 0.261 0.000 1.070 80 H CA 1.473 57.660 56.048 0.232 0.000 1.356 80 H CB -0.432 29.457 29.762 0.211 0.000 1.401 80 H HN 0.026 nan 8.280 nan 0.000 0.524 81 F N 0.964 121.007 119.950 0.154 0.000 2.043 81 F HA -0.331 1.491 4.527 -4.509 0.000 0.297 81 F C 2.424 178.304 175.800 0.133 0.000 1.121 81 F CA 2.040 60.102 58.000 0.103 0.000 1.199 81 F CB -1.012 38.091 39.000 0.172 0.000 0.968 81 F HN 0.204 nan 8.300 nan 0.000 0.478 82 Y N 1.403 121.830 120.300 0.210 0.000 2.165 82 Y HA -0.277 1.568 4.550 -4.508 0.000 0.286 82 Y C 2.238 178.114 175.900 -0.040 0.000 1.155 82 Y CA 2.222 60.392 58.100 0.117 0.000 1.164 82 Y CB -0.800 37.919 38.460 0.431 0.000 0.978 82 Y HN 0.139 nan 8.280 nan 0.000 0.513 83 D N -0.845 119.604 120.400 0.081 0.000 2.144 83 D HA -0.143 1.790 4.640 -4.511 0.000 0.199 83 D C 2.110 178.339 176.300 -0.118 0.000 0.984 83 D CA 1.918 55.928 54.000 0.017 0.000 0.834 83 D CB -0.381 40.540 40.800 0.202 0.000 0.955 83 D HN 0.412 nan 8.370 nan 0.000 0.465 84 T N 0.461 114.925 114.554 -0.150 0.000 2.701 84 T HA -0.107 1.537 4.350 -4.511 0.000 0.263 84 T C 2.115 176.595 174.700 -0.367 0.000 1.040 84 T CA 0.865 62.846 62.100 -0.198 0.000 1.147 84 T CB -0.505 68.236 68.868 -0.211 0.000 0.865 84 T HN -0.006 nan 8.240 nan 0.000 0.426 85 V N 1.523 121.087 119.914 -0.583 0.000 2.343 85 V HA -0.136 1.278 4.120 -4.511 0.000 0.247 85 V C 2.489 177.957 176.094 -1.043 0.000 1.051 85 V CA 1.901 63.749 62.300 -0.754 0.000 1.036 85 V CB -0.475 30.840 31.823 -0.847 0.000 0.654 85 V HN 0.388 nan 8.190 nan 0.000 0.451 86 K N -0.273 119.518 120.400 -1.014 0.000 2.057 86 K HA -0.124 1.490 4.320 -4.511 0.000 0.207 86 K C 2.059 178.288 176.600 -0.618 0.000 1.049 86 K CA 1.683 57.307 56.287 -1.104 0.000 0.931 86 K CB -0.731 31.294 32.500 -0.791 0.000 0.714 86 K HN 0.593 nan 8.250 nan 0.000 0.440 87 G N 0.468 109.078 108.800 -0.317 0.000 2.422 87 G HA2 -0.235 1.018 3.960 -4.511 0.000 0.218 87 G HA3 -0.235 1.018 3.960 -4.511 0.000 0.218 87 G C 1.386 176.196 174.900 -0.151 0.000 1.140 87 G CA 1.048 46.081 45.100 -0.111 0.000 0.775 87 G HN 0.493 nan 8.290 nan 0.000 0.545 88 S N 0.018 115.558 115.700 -0.267 0.000 2.603 88 S HA 0.002 1.766 4.470 -4.511 0.000 0.229 88 S C 1.048 175.542 174.600 -0.177 0.000 0.972 88 S CA 0.992 59.071 58.200 -0.201 0.000 0.935 88 S CB -0.129 62.933 63.200 -0.230 0.000 0.769 88 S HN 0.288 nan 8.310 nan 0.000 0.536 89 D N 0.658 120.935 120.400 -0.205 0.000 2.811 89 D HA -0.203 1.731 4.640 -4.511 0.000 0.231 89 D C -0.439 176.012 176.300 0.252 0.000 1.157 89 D CA 1.087 55.133 54.000 0.076 0.000 0.716 89 D CB -1.984 38.907 40.800 0.152 0.000 1.077 89 D HN 0.729 nan 8.370 nan 0.000 0.428 90 W N -2.389 118.859 121.300 -0.087 0.000 4.849 90 W HA -0.313 1.635 4.660 -4.519 0.000 0.358 90 W C 1.166 177.631 176.519 -0.090 0.000 1.331 90 W CA 0.535 57.820 57.345 -0.099 0.000 0.844 90 W CB -1.990 27.389 29.460 -0.135 0.000 2.434 90 W HN 0.301 nan 8.180 nan 0.000 1.458 91 L N -0.073 121.149 121.223 -0.002 0.000 2.731 91 L HA 0.426 2.060 4.340 -4.511 0.000 0.240 91 L C 1.558 178.399 176.870 -0.048 0.000 1.120 91 L CA 1.221 56.002 54.840 -0.097 0.000 0.913 91 L CB 0.116 42.058 42.059 -0.195 0.000 1.213 91 L HN -0.036 nan 8.230 nan 0.000 0.515 92 G N -0.009 108.756 108.800 -0.059 0.000 2.380 92 G HA2 0.177 1.430 3.960 -4.511 0.000 0.262 92 G HA3 0.177 1.430 3.960 -4.511 0.000 0.262 92 G C -0.858 174.062 174.900 0.033 0.000 1.243 92 G CA -0.434 44.648 45.100 -0.030 0.000 0.865 92 G HN 0.111 nan 8.290 nan 0.000 0.513 93 D N 2.194 122.656 120.400 0.103 0.000 2.352 93 D HA 0.084 2.018 4.640 -4.511 0.000 0.245 93 D C 1.429 177.810 176.300 0.136 0.000 1.224 93 D CA 0.142 54.230 54.000 0.147 0.000 0.879 93 D CB 1.550 42.450 40.800 0.167 0.000 1.057 93 D HN 0.499 nan 8.370 nan 0.000 0.491 94 Q N 1.256 121.155 119.800 0.166 0.000 2.291 94 Q HA -0.135 1.498 4.340 -4.511 0.000 0.205 94 Q C 1.374 177.587 176.000 0.355 0.000 0.970 94 Q CA 0.781 56.743 55.803 0.265 0.000 0.876 94 Q CB 0.254 29.190 28.738 0.330 0.000 0.935 94 Q HN 0.520 nan 8.270 nan 0.000 0.455 95 D N 0.579 121.112 120.400 0.222 0.000 2.144 95 D HA -0.157 1.777 4.640 -4.511 0.000 0.199 95 D C 1.603 177.990 176.300 0.144 0.000 0.984 95 D CA 1.470 55.535 54.000 0.108 0.000 0.834 95 D CB -0.162 40.634 40.800 -0.006 0.000 0.955 95 D HN 0.177 nan 8.370 nan 0.000 0.465 96 A N 0.292 123.258 122.820 0.243 0.000 2.021 96 A HA 0.142 1.755 4.320 -4.511 0.000 0.216 96 A C 2.486 180.331 177.584 0.436 0.000 1.163 96 A CA 0.423 52.689 52.037 0.382 0.000 0.676 96 A CB -0.493 18.658 19.000 0.252 0.000 0.818 96 A HN 0.266 nan 8.150 nan 0.000 0.453 97 I N -1.597 119.174 120.570 0.334 0.000 2.406 97 I HA -0.166 1.297 4.170 -4.511 0.000 0.249 97 I C 2.358 178.790 176.117 0.525 0.000 1.122 97 I CA 1.342 62.825 61.300 0.305 0.000 1.431 97 I CB -0.557 37.489 38.000 0.077 0.000 1.087 97 I HN 0.561 nan 8.210 nan 0.000 0.424 98 H N 0.381 119.764 119.070 0.523 0.000 2.289 98 H HA -0.336 1.513 4.556 -4.512 0.000 0.296 98 H C 2.401 177.818 175.328 0.149 0.000 1.091 98 H CA 2.283 58.531 56.048 0.333 0.000 1.274 98 H CB -0.181 29.666 29.762 0.142 0.000 1.364 98 H HN 0.335 nan 8.280 nan 0.000 0.490 99 Y N 0.397 120.802 120.300 0.174 0.000 2.165 99 Y HA -0.292 1.551 4.550 -4.512 0.000 0.286 99 Y C 2.836 178.687 175.900 -0.082 0.000 1.155 99 Y CA 1.951 60.041 58.100 -0.016 0.000 1.164 99 Y CB -0.181 38.307 38.460 0.046 0.000 0.978 99 Y HN 0.295 nan 8.280 nan 0.000 0.513 100 M N -0.498 119.139 119.600 0.061 0.000 2.099 100 M HA -0.174 1.600 4.480 -4.511 0.000 0.262 100 M C 2.166 178.397 176.300 -0.114 0.000 1.067 100 M CA 2.357 57.600 55.300 -0.096 0.000 1.124 100 M CB -0.322 32.351 32.600 0.120 0.000 1.353 100 M HN 0.454 nan 8.290 nan 0.000 0.410 101 T N -2.441 112.107 114.554 -0.011 0.000 2.904 101 T HA -0.137 1.506 4.350 -4.511 0.000 0.267 101 T C 1.583 176.241 174.700 -0.070 0.000 1.059 101 T CA 1.428 63.556 62.100 0.047 0.000 1.137 101 T CB -0.470 68.499 68.868 0.167 0.000 0.879 101 T HN 0.586 nan 8.240 nan 0.000 0.467 102 E N 0.769 120.694 120.200 -0.458 0.000 2.072 102 E HA -0.215 1.428 4.350 -4.511 0.000 0.191 102 E C 2.386 178.567 176.600 -0.698 0.000 0.985 102 E CA 0.995 56.699 56.400 -1.159 0.000 0.801 102 E CB -0.134 28.775 29.700 -1.319 0.000 0.750 102 E HN 0.475 nan 8.360 nan 0.000 0.452 103 Q N 0.343 119.809 119.800 -0.556 0.000 2.297 103 Q HA 0.015 1.649 4.340 -4.511 0.000 0.204 103 Q C 1.680 177.506 176.000 -0.290 0.000 0.962 103 Q CA 1.218 56.738 55.803 -0.471 0.000 0.879 103 Q CB -0.269 28.084 28.738 -0.643 0.000 0.947 103 Q HN 0.363 nan 8.270 nan 0.000 0.462 104 A N 1.199 123.899 122.820 -0.200 0.000 1.884 104 A HA -0.195 1.419 4.320 -4.511 0.000 0.219 104 A C -0.398 177.136 177.584 -0.083 0.000 1.197 104 A CA 1.834 53.829 52.037 -0.070 0.000 0.637 104 A CB -1.788 17.265 19.000 0.089 0.000 0.827 104 A HN 0.441 nan 8.150 nan 0.000 0.450 105 P HA -0.098 nan 4.420 nan 0.000 0.215 105 P C 1.769 178.994 177.300 -0.125 0.000 1.157 105 P CA 1.975 65.013 63.100 -0.104 0.000 0.863 105 P CB -0.180 31.464 31.700 -0.093 0.000 0.787 106 A N -0.836 121.896 122.820 -0.148 0.000 1.972 106 A HA -0.160 1.453 4.320 -4.511 0.000 0.219 106 A C 2.362 179.866 177.584 -0.132 0.000 1.169 106 A CA 2.067 54.019 52.037 -0.142 0.000 0.635 106 A CB -1.523 17.381 19.000 -0.160 0.000 0.810 106 A HN 0.114 nan 8.150 nan 0.000 0.446 107 S N -0.824 114.801 115.700 -0.126 0.000 2.387 107 S HA -0.067 1.696 4.470 -4.511 0.000 0.226 107 S C 1.826 176.392 174.600 -0.055 0.000 1.026 107 S CA 1.310 59.457 58.200 -0.088 0.000 0.972 107 S CB -0.175 62.979 63.200 -0.077 0.000 0.814 107 S HN 0.343 nan 8.310 nan 0.000 0.477 108 V N 0.943 120.819 119.914 -0.064 0.000 2.535 108 V HA -0.029 1.384 4.120 -4.511 0.000 0.246 108 V C 2.227 178.251 176.094 -0.116 0.000 1.045 108 V CA 0.920 63.188 62.300 -0.054 0.000 1.058 108 V CB -0.459 31.295 31.823 -0.116 0.000 0.689 108 V HN 0.291 nan 8.190 nan 0.000 0.461 109 V N 0.190 120.018 119.914 -0.144 0.000 2.332 109 V HA -0.314 1.099 4.120 -4.511 0.000 0.248 109 V C 2.485 178.494 176.094 -0.141 0.000 1.055 109 V CA 2.451 64.667 62.300 -0.140 0.000 1.038 109 V CB -0.477 31.271 31.823 -0.125 0.000 0.651 109 V HN 0.674 nan 8.190 nan 0.000 0.450 110 E N -0.082 120.004 120.200 -0.190 0.000 2.070 110 E HA -0.253 1.390 4.350 -4.511 0.000 0.197 110 E C 2.250 178.531 176.600 -0.532 0.000 1.004 110 E CA 1.739 57.911 56.400 -0.379 0.000 0.805 110 E CB -0.165 29.317 29.700 -0.363 0.000 0.744 110 E HN 0.568 nan 8.360 nan 0.000 0.451 111 L N 0.912 122.017 121.223 -0.197 0.000 2.046 111 L HA -0.190 1.444 4.340 -4.511 0.000 0.208 111 L C 2.875 179.869 176.870 0.207 0.000 1.077 111 L CA 1.259 56.150 54.840 0.085 0.000 0.747 111 L CB -0.505 41.722 42.059 0.281 0.000 0.896 111 L HN 0.237 nan 8.230 nan 0.000 0.432 112 E N 0.657 121.008 120.200 0.252 0.000 2.110 112 E HA -0.216 1.427 4.350 -4.511 0.000 0.193 112 E C 1.742 178.423 176.600 0.134 0.000 0.988 112 E CA 1.365 57.937 56.400 0.286 0.000 0.804 112 E CB -0.045 29.743 29.700 0.147 0.000 0.745 112 E HN 0.463 nan 8.360 nan 0.000 0.458 113 N N -0.429 118.283 118.700 0.021 0.000 2.396 113 N HA -0.089 1.945 4.740 -4.511 0.000 0.180 113 N C 1.513 177.088 175.510 0.109 0.000 1.028 113 N CA 0.664 53.723 53.050 0.014 0.000 0.893 113 N CB -0.385 38.067 38.487 -0.058 0.000 0.967 113 N HN 0.366 nan 8.380 nan 0.000 0.440 114 Y N -0.860 119.486 120.300 0.076 0.000 2.352 114 Y HA 0.005 1.848 4.550 -4.512 0.000 0.292 114 Y C 1.671 177.587 175.900 0.028 0.000 1.136 114 Y CA 0.381 58.507 58.100 0.045 0.000 1.227 114 Y CB 0.313 38.807 38.460 0.057 0.000 0.991 114 Y HN 0.209 nan 8.280 nan 0.000 0.545 115 G N -0.128 108.796 108.800 0.207 0.000 2.273 115 G HA2 -0.219 1.034 3.960 -4.511 0.000 0.162 115 G HA3 -0.219 1.034 3.960 -4.511 0.000 0.162 115 G C 0.074 175.034 174.900 0.099 0.000 1.006 115 G CA -0.379 44.795 45.100 0.124 0.000 0.704 115 G HN 0.149 nan 8.290 nan 0.000 0.487 116 M N 2.713 122.383 119.600 0.116 0.000 2.284 116 M HA 0.327 2.100 4.480 -4.511 0.000 0.351 116 M C -1.746 174.534 176.300 -0.033 0.000 1.443 116 M CA -0.860 54.428 55.300 -0.020 0.000 1.031 116 M CB 0.649 33.177 32.600 -0.120 0.000 1.893 116 M HN -0.017 nan 8.290 nan 0.000 0.456 117 P HA 0.149 nan 4.420 nan 0.000 0.219 117 P C -1.091 176.196 177.300 -0.022 0.000 1.832 117 P CA -0.079 63.015 63.100 -0.010 0.000 1.014 117 P CB -0.756 30.939 31.700 -0.008 0.000 1.939 118 F N 0.493 120.476 119.950 0.055 0.000 2.602 118 F HA -0.005 1.815 4.527 -4.512 0.000 0.367 118 F C 1.603 177.442 175.800 0.066 0.000 1.126 118 F CA 0.790 58.829 58.000 0.064 0.000 1.321 118 F CB 0.117 39.153 39.000 0.060 0.000 1.094 118 F HN 0.083 nan 8.300 nan 0.000 0.594 119 S N 3.822 119.687 115.700 0.275 0.000 2.573 119 S HA 0.311 2.074 4.470 -4.511 0.000 0.277 119 S C 0.297 175.022 174.600 0.207 0.000 1.346 119 S CA -0.729 57.574 58.200 0.171 0.000 1.034 119 S CB 0.506 63.772 63.200 0.110 0.000 0.879 119 S HN 0.355 nan 8.310 nan 0.000 0.528 120 R N 0.687 121.249 120.500 0.104 0.000 2.923 120 R HA 0.629 2.263 4.340 -4.511 0.000 0.252 120 R C 0.532 176.885 176.300 0.088 0.000 1.130 120 R CA -0.658 55.507 56.100 0.109 0.000 1.043 120 R CB 0.935 31.277 30.300 0.071 0.000 1.205 120 R HN 0.819 nan 8.270 nan 0.000 0.495 121 T N -2.920 111.693 114.554 0.098 0.000 2.797 121 T HA 0.225 1.869 4.350 -4.511 0.000 0.267 121 T C 1.015 175.742 174.700 0.045 0.000 0.986 121 T CA -0.546 61.609 62.100 0.092 0.000 0.999 121 T CB 0.814 69.750 68.868 0.114 0.000 1.508 121 T HN 0.455 nan 8.240 nan 0.000 0.595 122 E N 0.195 120.418 120.200 0.039 0.000 2.208 122 E HA -0.051 1.593 4.350 -4.511 0.000 0.193 122 E C 1.234 177.846 176.600 0.020 0.000 0.988 122 E CA 1.090 57.503 56.400 0.022 0.000 0.828 122 E CB -0.305 29.407 29.700 0.019 0.000 0.763 122 E HN 0.588 nan 8.360 nan 0.000 0.478 123 D N -1.415 118.999 120.400 0.023 0.000 2.289 123 D HA 0.098 2.032 4.640 -4.511 0.000 0.207 123 D C 1.248 177.558 176.300 0.017 0.000 0.966 123 D CA 1.069 55.079 54.000 0.016 0.000 0.868 123 D CB 0.444 41.252 40.800 0.012 0.000 0.943 123 D HN 0.322 nan 8.370 nan 0.000 0.514 124 G N 0.400 109.215 108.800 0.025 0.000 2.176 124 G HA2 -0.272 0.981 3.960 -4.511 0.000 0.232 124 G HA3 -0.272 0.981 3.960 -4.511 0.000 0.232 124 G C 0.417 175.334 174.900 0.028 0.000 0.986 124 G CA -0.010 45.106 45.100 0.027 0.000 0.643 124 G HN 0.320 nan 8.290 nan 0.000 0.522 125 K N -0.136 120.277 120.400 0.022 0.000 2.117 125 K HA 0.630 2.243 4.320 -4.511 0.000 0.240 125 K C 0.843 177.455 176.600 0.021 0.000 1.031 125 K CA -0.780 55.510 56.287 0.004 0.000 0.909 125 K CB 0.941 33.432 32.500 -0.014 0.000 1.097 125 K HN 0.195 nan 8.250 nan 0.000 0.492 126 I N 2.355 122.902 120.570 -0.039 0.000 2.662 126 I HA -0.110 1.353 4.170 -4.511 0.000 0.285 126 I C -0.023 176.110 176.117 0.026 0.000 1.161 126 I CA 0.080 61.348 61.300 -0.053 0.000 1.415 126 I CB -0.100 37.690 38.000 -0.349 0.000 1.385 126 I HN 0.442 nan 8.210 nan 0.000 0.552 127 Y N 7.943 128.252 120.300 0.015 0.000 2.496 127 Y HA 0.139 1.982 4.550 -4.511 0.000 0.334 127 Y C 0.017 175.937 175.900 0.035 0.000 1.080 127 Y CA -0.068 58.050 58.100 0.030 0.000 1.355 127 Y CB 0.278 38.772 38.460 0.057 0.000 1.193 127 Y HN 0.518 nan 8.280 nan 0.000 0.523 128 Q N 4.888 124.357 119.800 -0.551 0.000 2.297 128 Q HA 0.621 2.254 4.340 -4.511 0.000 0.268 128 Q C -0.967 174.613 176.000 -0.700 0.000 1.045 128 Q CA -1.322 54.201 55.803 -0.466 0.000 0.861 128 Q CB 2.148 30.749 28.738 -0.228 0.000 1.344 128 Q HN 0.573 nan 8.270 nan 0.000 0.452 129 R N -0.182 120.121 120.500 -0.328 0.000 2.799 129 R HA 0.654 2.287 4.340 -4.511 0.000 0.270 129 R C -1.658 174.692 176.300 0.084 0.000 1.010 129 R CA -0.584 55.454 56.100 -0.104 0.000 0.916 129 R CB 1.563 31.865 30.300 0.003 0.000 1.228 129 R HN 0.774 nan 8.270 nan 0.000 0.469 130 A N 1.885 124.805 122.820 0.166 0.000 2.483 130 A HA 0.479 2.093 4.320 -4.511 0.000 0.238 130 A C -0.894 176.823 177.584 0.222 0.000 1.070 130 A CA 0.573 52.633 52.037 0.038 0.000 0.770 130 A CB -0.165 18.811 19.000 -0.040 0.000 1.008 130 A HN 0.506 nan 8.150 nan 0.000 0.497 131 F N -0.478 119.415 119.950 -0.096 0.000 2.654 131 F HA 0.518 2.338 4.527 -4.512 0.000 0.308 131 F C 0.830 176.573 175.800 -0.095 0.000 1.108 131 F CA -0.274 57.683 58.000 -0.072 0.000 0.957 131 F CB 1.717 40.684 39.000 -0.055 0.000 1.309 131 F HN 0.816 nan 8.300 nan 0.000 0.446 132 G N 1.092 109.754 108.800 -0.231 0.000 2.254 132 G HA2 0.392 1.646 3.960 -4.511 0.000 0.253 132 G HA3 0.392 1.646 3.960 -4.511 0.000 0.253 132 G C 0.784 175.591 174.900 -0.155 0.000 1.246 132 G CA 0.637 45.601 45.100 -0.227 0.000 0.946 132 G HN 1.602 nan 8.290 nan 0.000 0.474 133 G N 1.551 110.232 108.800 -0.198 0.000 2.179 133 G HA2 -0.210 1.043 3.960 -4.511 0.000 0.220 133 G HA3 -0.210 1.043 3.960 -4.511 0.000 0.220 133 G C 0.244 175.184 174.900 0.066 0.000 0.990 133 G CA 0.200 45.171 45.100 -0.215 0.000 0.646 133 G HN 0.830 nan 8.290 nan 0.000 0.517 134 Q N 0.491 120.329 119.800 0.063 0.000 2.312 134 Q HA 0.664 2.297 4.340 -4.511 0.000 0.263 134 Q C -0.081 175.955 176.000 0.059 0.000 0.995 134 Q CA 0.058 55.915 55.803 0.089 0.000 0.853 134 Q CB 2.036 30.808 28.738 0.058 0.000 1.300 134 Q HN 0.661 nan 8.270 nan 0.000 0.448 135 S N 1.539 117.284 115.700 0.076 0.000 2.618 135 S HA 0.690 2.453 4.470 -4.511 0.000 0.277 135 S C -0.821 173.732 174.600 -0.078 0.000 1.138 135 S CA -0.879 57.324 58.200 0.004 0.000 0.844 135 S CB 0.998 64.220 63.200 0.038 0.000 1.127 135 S HN 0.468 nan 8.310 nan 0.000 0.474 136 L N 1.215 122.304 121.223 -0.223 0.000 2.400 136 L HA 0.576 2.209 4.340 -4.511 0.000 0.264 136 L C 0.254 176.512 176.870 -1.019 0.000 1.061 136 L CA -1.125 53.376 54.840 -0.566 0.000 0.799 136 L CB 0.396 42.211 42.059 -0.407 0.000 1.240 136 L HN 0.939 nan 8.230 nan 0.000 0.461 137 K N 1.743 120.801 120.400 -2.236 0.000 3.156 137 K HA -0.246 1.367 4.320 -4.511 0.000 0.266 137 K C -0.637 175.482 176.600 -0.801 0.000 0.966 137 K CA 0.417 55.749 56.287 -1.592 0.000 0.719 137 K CB -1.551 30.513 32.500 -0.727 0.000 1.333 137 K HN 0.500 nan 8.250 nan 0.000 0.468 138 F N -1.293 118.119 119.950 -0.897 0.000 3.067 138 F HA -0.314 1.505 4.527 -4.512 0.000 0.279 138 F C 1.452 176.828 175.800 -0.707 0.000 0.945 138 F CA 1.361 58.917 58.000 -0.739 0.000 0.948 138 F CB -1.920 36.660 39.000 -0.700 0.000 0.898 138 F HN 0.627 nan 8.300 nan 0.000 0.746 139 G N -1.327 107.343 108.800 -0.217 0.000 2.317 139 G HA2 -0.354 0.900 3.960 -4.511 0.000 0.227 139 G HA3 -0.354 0.900 3.960 -4.511 0.000 0.227 139 G C 1.264 176.110 174.900 -0.090 0.000 1.042 139 G CA 0.183 45.273 45.100 -0.018 0.000 0.623 139 G HN 0.335 nan 8.290 nan 0.000 0.509 140 K N 1.047 121.352 120.400 -0.158 0.000 2.167 140 K HA 0.104 1.717 4.320 -4.511 0.000 0.203 140 K C 2.190 178.704 176.600 -0.143 0.000 1.052 140 K CA 1.161 57.372 56.287 -0.126 0.000 0.956 140 K CB -0.388 32.041 32.500 -0.118 0.000 0.735 140 K HN 0.568 nan 8.250 nan 0.000 0.451 141 G N 0.989 109.650 108.800 -0.232 0.000 3.440 141 G HA2 0.358 1.612 3.960 -4.511 0.000 0.263 141 G HA3 0.358 1.612 3.960 -4.511 0.000 0.263 141 G C 0.559 175.366 174.900 -0.155 0.000 1.236 141 G CA 0.278 45.245 45.100 -0.222 0.000 0.927 141 G HN 0.437 nan 8.290 nan 0.000 0.530 142 G N -0.097 108.640 108.800 -0.106 0.000 2.642 142 G HA2 -0.147 1.106 3.960 -4.511 0.000 0.231 142 G HA3 -0.147 1.106 3.960 -4.511 0.000 0.231 142 G C -0.074 174.789 174.900 -0.061 0.000 1.338 142 G CA -0.070 44.996 45.100 -0.057 0.000 0.883 142 G HN 0.786 nan 8.290 nan 0.000 0.570 143 Q N 0.380 120.152 119.800 -0.048 0.000 2.311 143 Q HA 0.599 2.233 4.340 -4.511 0.000 0.272 143 Q C 0.427 176.302 176.000 -0.209 0.000 1.012 143 Q CA 1.043 56.776 55.803 -0.118 0.000 0.891 143 Q CB 0.707 29.367 28.738 -0.130 0.000 1.201 143 Q HN 1.762 nan 8.270 nan 0.000 0.391 144 A N 4.314 126.989 122.820 -0.241 0.000 2.312 144 A HA 0.562 2.176 4.320 -4.511 0.000 0.328 144 A C -1.320 176.028 177.584 -0.395 0.000 1.158 144 A CA -0.620 51.303 52.037 -0.190 0.000 0.821 144 A CB 0.556 19.538 19.000 -0.030 0.000 1.170 144 A HN 0.947 nan 8.150 nan 0.000 0.490 145 H N 0.772 119.842 119.070 -0.000 0.000 2.541 145 H HA 0.405 2.255 4.556 -4.510 0.000 0.246 145 H C 0.475 175.751 175.328 -0.086 0.000 1.341 145 H CA -0.282 55.739 56.048 -0.045 0.000 1.469 145 H CB 0.474 30.200 29.762 -0.060 0.000 1.472 145 H HN 0.688 nan 8.280 nan 0.000 0.503 146 R N -0.199 120.278 120.500 -0.038 0.000 2.600 146 R HA 0.260 1.894 4.340 -4.511 0.000 0.392 146 R C -0.519 175.682 176.300 -0.165 0.000 1.032 146 R CA -0.287 55.751 56.100 -0.104 0.000 1.139 146 R CB -0.317 29.910 30.300 -0.123 0.000 1.400 146 R HN 0.329 nan 8.270 nan 0.000 0.566 147 C N 2.987 122.187 119.300 -0.166 0.000 2.252 147 C HA 0.460 2.214 4.460 -4.511 0.000 0.342 147 C C 0.632 175.521 174.990 -0.169 0.000 1.110 147 C CA -0.737 58.140 59.018 -0.236 0.000 1.581 147 C CB -1.493 26.026 27.740 -0.368 0.000 2.087 147 C HN 0.688 nan 8.230 nan 0.000 0.500 148 C N 5.399 124.633 119.300 -0.110 0.000 2.637 148 C HA 0.534 2.288 4.460 -4.511 0.000 0.418 148 C C 0.830 175.941 174.990 0.202 0.000 1.319 148 C CA -0.504 58.516 59.018 0.003 0.000 1.949 148 C CB -2.050 25.631 27.740 -0.099 0.000 2.639 148 C HN 0.998 nan 8.230 nan 0.000 0.594 149 C N 1.301 120.810 119.300 0.349 0.000 3.082 149 C HA 0.678 2.431 4.460 -4.511 0.000 0.324 149 C C -0.595 174.570 174.990 0.291 0.000 1.210 149 C CA -0.697 58.492 59.018 0.286 0.000 1.366 149 C CB 0.204 28.056 27.740 0.187 0.000 1.756 149 C HN 0.621 nan 8.230 nan 0.000 0.485 150 V N 3.975 123.928 119.914 0.064 0.000 2.096 150 V HA 0.571 1.984 4.120 -4.511 0.000 0.259 150 V C 1.332 177.453 176.094 0.044 0.000 1.420 150 V CA 1.483 63.782 62.300 -0.002 0.000 1.336 150 V CB -0.966 30.767 31.823 -0.150 0.000 1.394 150 V HN 2.106 nan 8.190 nan 0.000 0.494 151 A N 3.370 126.243 122.820 0.089 0.000 5.483 151 A HA -0.344 1.269 4.320 -4.511 0.000 0.309 151 A C 1.483 179.115 177.584 0.079 0.000 1.898 151 A CA 1.508 53.585 52.037 0.067 0.000 0.716 151 A CB -1.471 17.541 19.000 0.020 0.000 1.309 151 A HN 0.641 nan 8.150 nan 0.000 0.380 152 D N -0.004 120.425 120.400 0.049 0.000 2.339 152 D HA 0.154 2.088 4.640 -4.511 0.000 0.217 152 D C 1.169 177.490 176.300 0.035 0.000 1.050 152 D CA 0.566 54.597 54.000 0.052 0.000 0.856 152 D CB -0.117 40.703 40.800 0.033 0.000 0.922 152 D HN 0.444 nan 8.370 nan 0.000 0.518 153 R N -0.331 120.184 120.500 0.024 0.000 2.903 153 R HA 0.118 1.751 4.340 -4.511 0.000 0.363 153 R C 1.272 177.614 176.300 0.070 0.000 1.161 153 R CA 0.006 56.123 56.100 0.028 0.000 1.109 153 R CB 0.463 30.734 30.300 -0.048 0.000 1.399 153 R HN -0.086 nan 8.270 nan 0.000 0.587 154 T N -1.286 113.293 114.554 0.041 0.000 2.821 154 T HA -0.073 1.570 4.350 -4.511 0.000 0.267 154 T C 1.952 176.660 174.700 0.014 0.000 1.046 154 T CA 1.901 63.999 62.100 -0.003 0.000 1.139 154 T CB 0.093 68.964 68.868 0.005 0.000 0.871 154 T HN 0.473 nan 8.240 nan 0.000 0.454 155 G N 0.410 109.241 108.800 0.051 0.000 2.408 155 G HA2 -0.233 1.021 3.960 -4.511 0.000 0.217 155 G HA3 -0.233 1.021 3.960 -4.511 0.000 0.217 155 G C 1.582 176.533 174.900 0.086 0.000 1.150 155 G CA 1.007 46.141 45.100 0.056 0.000 0.776 155 G HN 0.711 nan 8.290 nan 0.000 0.542 156 H N 0.891 119.977 119.070 0.027 0.000 2.319 156 H HA -0.053 1.796 4.556 -4.511 0.000 0.299 156 H C 2.500 177.906 175.328 0.131 0.000 1.092 156 H CA 1.786 57.887 56.048 0.089 0.000 1.302 156 H CB -0.213 29.571 29.762 0.035 0.000 1.373 156 H HN 0.299 nan 8.280 nan 0.000 0.497 157 S N 0.811 116.522 115.700 0.018 0.000 2.368 157 S HA -0.099 1.664 4.470 -4.511 0.000 0.224 157 S C 2.240 176.809 174.600 -0.053 0.000 1.029 157 S CA 0.851 59.011 58.200 -0.067 0.000 0.988 157 S CB -0.332 62.823 63.200 -0.076 0.000 0.838 157 S HN 0.353 nan 8.310 nan 0.000 0.462 158 L N 1.553 122.754 121.223 -0.036 0.000 2.012 158 L HA -0.019 1.614 4.340 -4.511 0.000 0.210 158 L C 1.977 178.875 176.870 0.047 0.000 1.073 158 L CA 1.667 56.515 54.840 0.014 0.000 0.748 158 L CB -0.818 41.265 42.059 0.040 0.000 0.891 158 L HN 0.273 nan 8.230 nan 0.000 0.431 159 L N -1.126 120.110 121.223 0.021 0.000 2.156 159 L HA -0.148 1.486 4.340 -4.511 0.000 0.208 159 L C 2.549 179.383 176.870 -0.060 0.000 1.095 159 L CA 1.650 56.481 54.840 -0.014 0.000 0.770 159 L CB -0.870 41.157 42.059 -0.054 0.000 0.914 159 L HN 0.427 nan 8.230 nan 0.000 0.439 160 H N -1.474 117.531 119.070 -0.108 0.000 2.436 160 H HA -0.031 1.818 4.556 -4.511 0.000 0.294 160 H C 1.990 177.313 175.328 -0.009 0.000 1.048 160 H CA 1.776 57.776 56.048 -0.080 0.000 1.353 160 H CB 0.111 29.734 29.762 -0.232 0.000 1.414 160 H HN 0.499 nan 8.280 nan 0.000 0.536 161 T N -1.139 113.466 114.554 0.084 0.000 2.937 161 T HA -0.007 1.637 4.350 -4.511 0.000 0.260 161 T C 2.289 176.983 174.700 -0.009 0.000 1.051 161 T CA 0.208 62.337 62.100 0.048 0.000 1.141 161 T CB -0.546 68.368 68.868 0.077 0.000 0.879 161 T HN 0.118 nan 8.240 nan 0.000 0.459 162 L N -0.561 120.691 121.223 0.049 0.000 2.017 162 L HA -0.035 1.598 4.340 -4.511 0.000 0.208 162 L C 2.651 179.505 176.870 -0.027 0.000 1.073 162 L CA 1.932 56.806 54.840 0.057 0.000 0.745 162 L CB -0.629 41.553 42.059 0.206 0.000 0.894 162 L HN 0.265 nan 8.230 nan 0.000 0.432 163 Y N 0.701 120.925 120.300 -0.127 0.000 2.200 163 Y HA -0.155 1.688 4.550 -4.511 0.000 0.290 163 Y C 2.299 178.075 175.900 -0.207 0.000 1.137 163 Y CA 1.382 59.361 58.100 -0.201 0.000 1.163 163 Y CB -0.705 37.584 38.460 -0.284 0.000 0.988 163 Y HN 0.074 nan 8.280 nan 0.000 0.518 164 G N 0.685 109.375 108.800 -0.183 0.000 2.491 164 G HA2 -0.307 0.946 3.960 -4.511 0.000 0.218 164 G HA3 -0.307 0.946 3.960 -4.511 0.000 0.218 164 G C 1.888 176.572 174.900 -0.360 0.000 1.180 164 G CA 0.954 45.911 45.100 -0.238 0.000 0.774 164 G HN 0.263 nan 8.290 nan 0.000 0.562 165 R N 0.769 121.022 120.500 -0.412 0.000 2.105 165 R HA -0.101 1.532 4.340 -4.511 0.000 0.239 165 R C 3.104 179.039 176.300 -0.608 0.000 1.135 165 R CA 1.624 57.364 56.100 -0.600 0.000 0.967 165 R CB -0.676 29.036 30.300 -0.981 0.000 0.861 165 R HN 0.557 nan 8.270 nan 0.000 0.442 166 S N 0.396 115.767 115.700 -0.549 0.000 2.419 166 S HA -0.088 1.676 4.470 -4.511 0.000 0.233 166 S C 1.833 176.350 174.600 -0.138 0.000 1.016 166 S CA 0.764 58.822 58.200 -0.237 0.000 0.974 166 S CB -0.154 62.995 63.200 -0.084 0.000 0.786 166 S HN 0.117 nan 8.310 nan 0.000 0.492 167 L N 1.254 122.261 121.223 -0.360 0.000 2.465 167 L HA 0.263 1.897 4.340 -4.511 0.000 0.224 167 L C 2.545 179.288 176.870 -0.212 0.000 1.145 167 L CA 1.068 55.738 54.840 -0.283 0.000 0.834 167 L CB -1.524 40.323 42.059 -0.354 0.000 0.944 167 L HN 0.395 nan 8.230 nan 0.000 0.451 168 R N -1.501 118.805 120.500 -0.323 0.000 2.280 168 R HA -0.049 1.584 4.340 -4.511 0.000 0.207 168 R C -0.185 175.782 176.300 -0.555 0.000 1.043 168 R CA 0.461 56.267 56.100 -0.490 0.000 1.006 168 R CB 0.221 30.084 30.300 -0.727 0.000 0.885 168 R HN 0.187 nan 8.270 nan 0.000 0.467 169 Y N -1.055 119.216 120.300 -0.049 0.000 2.621 169 Y HA 0.147 1.990 4.550 -4.511 0.000 0.334 169 Y C 0.343 176.272 175.900 0.048 0.000 1.074 169 Y CA -1.547 56.563 58.100 0.018 0.000 1.149 169 Y CB 0.885 39.384 38.460 0.065 0.000 1.302 169 Y HN 0.018 nan 8.280 nan 0.000 0.501 170 D N -1.174 119.362 120.400 0.226 0.000 2.706 170 D HA 0.074 2.008 4.640 -4.511 0.000 0.236 170 D C -0.449 175.925 176.300 0.123 0.000 1.231 170 D CA -0.300 53.787 54.000 0.146 0.000 0.828 170 D CB -0.989 39.875 40.800 0.107 0.000 1.015 170 D HN 0.337 nan 8.370 nan 0.000 0.484 171 T N -0.024 114.600 114.554 0.117 0.000 2.930 171 T HA 0.210 1.853 4.350 -4.511 0.000 0.306 171 T C 0.412 174.989 174.700 -0.205 0.000 1.045 171 T CA -0.304 61.730 62.100 -0.110 0.000 1.134 171 T CB 0.958 69.638 68.868 -0.313 0.000 0.961 171 T HN 0.038 nan 8.240 nan 0.000 0.545 172 S N 2.139 117.664 115.700 -0.293 0.000 2.430 172 S HA 0.305 2.068 4.470 -4.511 0.000 0.289 172 S C -0.802 173.516 174.600 -0.470 0.000 1.143 172 S CA -0.605 57.438 58.200 -0.263 0.000 1.067 172 S CB -0.132 63.003 63.200 -0.108 0.000 0.964 172 S HN 0.529 nan 8.310 nan 0.000 0.485 173 Y N 2.098 122.278 120.300 -0.200 0.000 2.434 173 Y HA 0.351 2.194 4.550 -4.511 0.000 0.341 173 Y C -0.237 175.499 175.900 -0.273 0.000 0.965 173 Y CA -0.970 57.043 58.100 -0.145 0.000 1.205 173 Y CB 0.207 38.637 38.460 -0.050 0.000 1.121 173 Y HN 0.562 nan 8.280 nan 0.000 0.507 174 F N 3.335 123.144 119.950 -0.234 0.000 2.619 174 F HA 0.232 2.052 4.527 -4.511 0.000 0.350 174 F C 0.109 175.860 175.800 -0.083 0.000 1.259 174 F CA -0.683 57.029 58.000 -0.481 0.000 1.204 174 F CB -0.232 38.168 39.000 -1.000 0.000 1.556 174 F HN 0.130 nan 8.300 nan 0.000 0.650 175 V N 2.232 122.277 119.914 0.220 0.000 2.614 175 V HA 0.058 1.472 4.120 -4.511 0.000 0.291 175 V C 0.528 176.860 176.094 0.397 0.000 1.049 175 V CA -0.961 61.514 62.300 0.292 0.000 1.038 175 V CB 0.678 32.669 31.823 0.280 0.000 0.980 175 V HN 0.709 nan 8.190 nan 0.000 0.481 176 E N 2.145 122.523 120.200 0.297 0.000 2.230 176 E HA -0.230 1.413 4.350 -4.511 0.000 0.206 176 E C -1.314 175.373 176.600 0.144 0.000 1.309 176 E CA 0.479 56.989 56.400 0.183 0.000 0.697 176 E CB -0.934 28.849 29.700 0.139 0.000 1.146 176 E HN 0.628 nan 8.360 nan 0.000 0.363 177 Y N -0.013 120.319 120.300 0.053 0.000 2.350 177 Y HA 0.432 2.275 4.550 -4.512 0.000 0.338 177 Y C -0.275 175.662 175.900 0.062 0.000 0.961 177 Y CA -1.065 57.066 58.100 0.052 0.000 1.100 177 Y CB 1.126 39.618 38.460 0.053 0.000 1.179 177 Y HN 0.205 nan 8.280 nan 0.000 0.454 178 F N 3.754 123.714 119.950 0.016 0.000 2.371 178 F HA 0.690 2.510 4.527 -4.512 0.000 0.363 178 F C 0.239 176.045 175.800 0.010 0.000 1.122 178 F CA -0.914 57.081 58.000 -0.009 0.000 1.129 178 F CB 0.327 39.287 39.000 -0.066 0.000 1.173 178 F HN 0.601 nan 8.300 nan 0.000 0.489 179 A N 7.208 129.833 122.820 -0.325 0.000 2.454 179 A HA 0.340 1.954 4.320 -4.511 0.000 0.260 179 A C 0.404 177.853 177.584 -0.225 0.000 1.106 179 A CA -0.208 51.696 52.037 -0.221 0.000 0.780 179 A CB 0.159 19.019 19.000 -0.234 0.000 1.044 179 A HN 1.035 nan 8.150 nan 0.000 0.498 180 L N 1.445 122.660 121.223 -0.014 0.000 2.185 180 L HA 0.257 1.891 4.340 -4.511 0.000 0.198 180 L C 0.422 177.295 176.870 0.006 0.000 1.079 180 L CA 0.564 55.444 54.840 0.067 0.000 0.780 180 L CB -0.057 42.058 42.059 0.093 0.000 0.955 180 L HN 0.570 nan 8.230 nan 0.000 0.462 181 D N -1.317 119.075 120.400 -0.013 0.000 2.596 181 D HA 0.451 2.384 4.640 -4.511 0.000 0.262 181 D C -1.135 175.146 176.300 -0.032 0.000 1.210 181 D CA -0.500 53.487 54.000 -0.022 0.000 0.873 181 D CB 2.780 43.575 40.800 -0.008 0.000 1.408 181 D HN -0.167 nan 8.370 nan 0.000 0.441 182 L N 0.884 122.088 121.223 -0.032 0.000 2.371 182 L HA 0.319 1.953 4.340 -4.511 0.000 0.272 182 L C 0.254 177.112 176.870 -0.020 0.000 1.124 182 L CA -0.528 54.293 54.840 -0.032 0.000 0.816 182 L CB 0.594 42.633 42.059 -0.034 0.000 1.129 182 L HN 0.149 nan 8.230 nan 0.000 0.448 183 L N 4.096 125.309 121.223 -0.016 0.000 2.407 183 L HA 0.236 1.869 4.340 -4.511 0.000 0.282 183 L C -0.143 176.722 176.870 -0.008 0.000 1.110 183 L CA 0.258 55.093 54.840 -0.008 0.000 0.863 183 L CB 0.518 42.577 42.059 -0.000 0.000 1.207 183 L HN 0.571 nan 8.230 nan 0.000 0.454 184 M N 4.072 123.667 119.600 -0.008 0.000 2.311 184 M HA 0.353 2.126 4.480 -4.511 0.000 0.325 184 M C -0.805 175.490 176.300 -0.007 0.000 1.061 184 M CA -0.074 55.220 55.300 -0.009 0.000 0.957 184 M CB 1.793 34.386 32.600 -0.012 0.000 1.646 184 M HN 0.359 nan 8.290 nan 0.000 0.434 185 E N 3.563 123.759 120.200 -0.007 0.000 2.283 185 E HA 0.333 1.976 4.350 -4.511 0.000 0.258 185 E C -0.812 175.783 176.600 -0.008 0.000 0.893 185 E CA -0.251 56.145 56.400 -0.006 0.000 0.798 185 E CB 0.656 30.354 29.700 -0.003 0.000 1.242 185 E HN 0.811 nan 8.360 nan 0.000 0.414 186 N N 3.342 122.036 118.700 -0.010 0.000 2.727 186 N HA -0.252 1.782 4.740 -4.511 0.000 0.249 186 N C 0.626 176.128 175.510 -0.014 0.000 1.048 186 N CA 1.438 54.481 53.050 -0.012 0.000 0.714 186 N CB -1.256 37.224 38.487 -0.011 0.000 0.959 186 N HN 0.997 nan 8.380 nan 0.000 0.544 187 G N -1.001 107.790 108.800 -0.015 0.000 2.284 187 G HA2 -0.329 0.924 3.960 -4.511 0.000 0.247 187 G HA3 -0.329 0.924 3.960 -4.511 0.000 0.247 187 G C -0.139 174.748 174.900 -0.020 0.000 1.012 187 G CA 0.633 45.723 45.100 -0.017 0.000 0.618 187 G HN 0.550 nan 8.290 nan 0.000 0.521 188 E N 0.092 120.282 120.200 -0.017 0.000 2.249 188 E HA 0.471 2.115 4.350 -4.511 0.000 0.280 188 E C -0.043 176.549 176.600 -0.013 0.000 1.016 188 E CA -0.425 55.965 56.400 -0.017 0.000 0.830 188 E CB 1.938 31.631 29.700 -0.011 0.000 1.081 188 E HN 0.279 nan 8.360 nan 0.000 0.395 189 C N 3.095 122.386 119.300 -0.014 0.000 2.452 189 C HA 0.294 2.047 4.460 -4.511 0.000 0.379 189 C C 1.028 176.019 174.990 0.001 0.000 1.275 189 C CA -0.340 58.672 59.018 -0.010 0.000 2.056 189 C CB -0.407 27.324 27.740 -0.015 0.000 2.506 189 C HN 0.745 nan 8.230 nan 0.000 0.560 190 R N 3.093 123.594 120.500 0.002 0.000 2.509 190 R HA 0.359 1.992 4.340 -4.511 0.000 0.297 190 R C 0.741 177.049 176.300 0.014 0.000 0.951 190 R CA 0.742 56.849 56.100 0.012 0.000 1.103 190 R CB 0.312 30.619 30.300 0.011 0.000 1.283 190 R HN 1.111 nan 8.270 nan 0.000 0.534 191 G N 0.312 109.112 108.800 -0.000 0.000 2.260 191 G HA2 0.008 1.261 3.960 -4.511 0.000 0.250 191 G HA3 0.008 1.261 3.960 -4.511 0.000 0.250 191 G C -1.496 173.386 174.900 -0.031 0.000 1.340 191 G CA -0.312 44.781 45.100 -0.012 0.000 1.056 191 G HN 0.162 nan 8.290 nan 0.000 0.471 192 V N -1.904 117.983 119.914 -0.046 0.000 2.925 192 V HA 0.854 2.268 4.120 -4.511 0.000 0.311 192 V C -0.126 175.950 176.094 -0.030 0.000 1.104 192 V CA -0.977 61.291 62.300 -0.053 0.000 0.954 192 V CB 1.760 33.527 31.823 -0.092 0.000 1.022 192 V HN 1.349 nan 8.190 nan 0.000 0.427 193 I N 3.190 123.753 120.570 -0.011 0.000 2.353 193 I HA 0.852 2.315 4.170 -4.511 0.000 0.293 193 I C 0.240 176.377 176.117 0.033 0.000 0.992 193 I CA -0.156 61.157 61.300 0.021 0.000 1.268 193 I CB 1.180 39.190 38.000 0.017 0.000 1.387 193 I HN 1.180 nan 8.210 nan 0.000 0.478 194 A N 6.986 129.862 122.820 0.092 0.000 2.539 194 A HA 0.666 2.279 4.320 -4.511 0.000 0.296 194 A C -1.739 175.972 177.584 0.210 0.000 1.073 194 A CA -0.628 51.492 52.037 0.138 0.000 0.700 194 A CB 1.571 20.648 19.000 0.128 0.000 1.296 194 A HN 0.685 nan 8.150 nan 0.000 0.405 195 L N 1.547 122.881 121.223 0.184 0.000 2.275 195 L HA 0.608 2.241 4.340 -4.511 0.000 0.288 195 L C -0.135 176.695 176.870 -0.066 0.000 1.046 195 L CA -0.396 54.506 54.840 0.103 0.000 0.805 195 L CB 1.001 43.096 42.059 0.060 0.000 1.193 195 L HN 0.791 nan 8.230 nan 0.000 0.426 196 C N 6.646 125.838 119.300 -0.180 0.000 2.442 196 C HA 0.298 2.051 4.460 -4.511 0.000 0.362 196 C C 1.833 176.579 174.990 -0.407 0.000 1.242 196 C CA -0.542 58.049 59.018 -0.713 0.000 1.741 196 C CB -1.546 25.899 27.740 -0.491 0.000 2.378 196 C HN 0.974 nan 8.230 nan 0.000 0.549 197 I N 3.345 123.623 120.570 -0.486 0.000 2.286 197 I HA -0.145 1.318 4.170 -4.511 0.000 0.248 197 I C 2.546 178.385 176.117 -0.463 0.000 1.115 197 I CA 1.421 62.395 61.300 -0.543 0.000 1.392 197 I CB -0.397 37.081 38.000 -0.869 0.000 1.065 197 I HN 0.794 nan 8.210 nan 0.000 0.418 198 E N 1.111 121.152 120.200 -0.264 0.000 2.077 198 E HA -0.269 1.374 4.350 -4.511 0.000 0.193 198 E C 0.972 177.620 176.600 0.081 0.000 0.989 198 E CA 1.824 58.250 56.400 0.044 0.000 0.800 198 E CB 0.128 29.900 29.700 0.120 0.000 0.746 198 E HN 0.665 nan 8.360 nan 0.000 0.452 199 D N -2.972 117.443 120.400 0.025 0.000 2.520 199 D HA 0.135 2.069 4.640 -4.511 0.000 0.223 199 D C 1.027 177.355 176.300 0.047 0.000 1.186 199 D CA 0.591 54.629 54.000 0.062 0.000 0.821 199 D CB 0.524 41.380 40.800 0.094 0.000 1.072 199 D HN 0.232 nan 8.370 nan 0.000 0.518 200 G N 0.703 109.509 108.800 0.012 0.000 2.162 200 G HA2 -0.287 0.966 3.960 -4.511 0.000 0.260 200 G HA3 -0.287 0.966 3.960 -4.511 0.000 0.260 200 G C 0.442 175.406 174.900 0.107 0.000 0.976 200 G CA 0.527 45.650 45.100 0.038 0.000 0.655 200 G HN 0.880 nan 8.290 nan 0.000 0.533 201 S N -0.653 115.116 115.700 0.115 0.000 2.603 201 S HA 0.725 2.489 4.470 -4.511 0.000 0.268 201 S C 0.172 174.852 174.600 0.133 0.000 1.317 201 S CA -0.547 57.727 58.200 0.124 0.000 1.012 201 S CB 1.986 65.254 63.200 0.115 0.000 0.926 201 S HN 0.545 nan 8.310 nan 0.000 0.539 202 I N 2.116 122.698 120.570 0.021 0.000 2.404 202 I HA 0.332 1.796 4.170 -4.511 0.000 0.293 202 I C -0.183 175.885 176.117 -0.082 0.000 0.992 202 I CA -0.451 60.877 61.300 0.046 0.000 1.149 202 I CB 1.188 39.197 38.000 0.015 0.000 1.315 202 I HN 0.660 nan 8.210 nan 0.000 0.446 203 H N 6.364 125.544 119.070 0.184 0.000 2.708 203 H HA 0.381 2.231 4.556 -4.511 0.000 0.320 203 H C -0.679 174.737 175.328 0.147 0.000 0.991 203 H CA -0.866 55.329 56.048 0.245 0.000 1.243 203 H CB 1.356 31.357 29.762 0.399 0.000 1.446 203 H HN 0.370 nan 8.280 nan 0.000 0.502 204 R N 3.256 123.877 120.500 0.202 0.000 2.248 204 R HA 0.280 1.913 4.340 -4.511 0.000 0.337 204 R C -0.033 176.372 176.300 0.174 0.000 1.085 204 R CA -0.116 56.061 56.100 0.128 0.000 0.934 204 R CB 0.235 30.578 30.300 0.073 0.000 1.034 204 R HN 0.471 nan 8.270 nan 0.000 0.465 205 I N 4.979 125.604 120.570 0.092 0.000 2.337 205 I HA 0.240 1.703 4.170 -4.511 0.000 0.285 205 I C 0.384 176.547 176.117 0.078 0.000 1.041 205 I CA -0.552 60.798 61.300 0.084 0.000 1.199 205 I CB 0.610 38.480 38.000 -0.217 0.000 1.370 205 I HN 0.456 nan 8.210 nan 0.000 0.470 206 R N 5.666 126.247 120.500 0.134 0.000 2.428 206 R HA 0.935 2.569 4.340 -4.511 0.000 0.294 206 R C -0.879 175.497 176.300 0.125 0.000 1.000 206 R CA -0.585 55.571 56.100 0.094 0.000 0.960 206 R CB 1.864 32.205 30.300 0.067 0.000 1.076 206 R HN 0.544 nan 8.270 nan 0.000 0.475 207 A N 1.994 124.865 122.820 0.085 0.000 2.602 207 A HA 0.364 1.977 4.320 -4.511 0.000 0.290 207 A C 0.122 177.744 177.584 0.064 0.000 1.114 207 A CA -0.955 51.139 52.037 0.095 0.000 0.683 207 A CB 1.728 20.780 19.000 0.087 0.000 1.281 207 A HN 0.904 nan 8.150 nan 0.000 0.416 208 R N -0.202 120.341 120.500 0.072 0.000 2.115 208 R HA 0.031 1.665 4.340 -4.511 0.000 0.226 208 R C -0.330 176.000 176.300 0.050 0.000 1.100 208 R CA 1.126 57.263 56.100 0.062 0.000 0.980 208 R CB 0.049 30.400 30.300 0.085 0.000 0.875 208 R HN 0.730 nan 8.270 nan 0.000 0.445 209 N N -0.458 118.259 118.700 0.028 0.000 2.235 209 N HA 0.202 2.235 4.740 -4.511 0.000 0.293 209 N C -1.566 173.941 175.510 -0.005 0.000 1.083 209 N CA -0.374 52.693 53.050 0.027 0.000 0.801 209 N CB 2.535 40.994 38.487 -0.047 0.000 1.559 209 N HN -0.124 nan 8.380 nan 0.000 0.472 210 T N 0.431 115.008 114.554 0.040 0.000 2.824 210 T HA 0.450 2.093 4.350 -4.511 0.000 0.282 210 T C -0.222 174.497 174.700 0.032 0.000 0.993 210 T CA -0.506 61.591 62.100 -0.004 0.000 0.967 210 T CB 1.820 70.680 68.868 -0.013 0.000 0.960 210 T HN 0.085 nan 8.240 nan 0.000 0.441 211 V N 3.352 123.242 119.914 -0.039 0.000 2.409 211 V HA 0.409 1.823 4.120 -4.511 0.000 0.291 211 V C -0.157 175.914 176.094 -0.039 0.000 1.020 211 V CA -0.830 61.457 62.300 -0.021 0.000 0.848 211 V CB 1.702 33.466 31.823 -0.098 0.000 0.990 211 V HN 0.740 nan 8.190 nan 0.000 0.430 212 V N 4.357 124.259 119.914 -0.019 0.000 2.364 212 V HA 0.653 2.066 4.120 -4.511 0.000 0.272 212 V C 0.651 176.728 176.094 -0.029 0.000 1.036 212 V CA 0.019 62.296 62.300 -0.039 0.000 0.880 212 V CB 1.232 33.029 31.823 -0.045 0.000 0.991 212 V HN 1.001 nan 8.190 nan 0.000 0.460 213 A N 2.923 125.722 122.820 -0.035 0.000 3.253 213 A HA 0.413 2.026 4.320 -4.511 0.000 0.290 213 A C 1.076 178.648 177.584 -0.020 0.000 0.950 213 A CA 0.273 52.300 52.037 -0.016 0.000 0.986 213 A CB 0.229 19.224 19.000 -0.007 0.000 1.104 213 A HN 0.818 nan 8.150 nan 0.000 0.481 214 T N -2.883 111.651 114.554 -0.034 0.000 3.129 214 T HA 0.443 2.086 4.350 -4.511 0.000 0.251 214 T C 1.237 175.921 174.700 -0.027 0.000 1.117 214 T CA 1.025 63.100 62.100 -0.042 0.000 1.034 214 T CB -0.305 68.522 68.868 -0.070 0.000 0.968 214 T HN 2.093 nan 8.240 nan 0.000 0.526 215 G N 0.316 109.105 108.800 -0.019 0.000 2.645 215 G HA2 0.175 1.428 3.960 -4.511 0.000 0.239 215 G HA3 0.175 1.428 3.960 -4.511 0.000 0.239 215 G C 0.166 175.031 174.900 -0.059 0.000 1.331 215 G CA -0.506 44.573 45.100 -0.035 0.000 0.890 215 G HN 0.960 nan 8.290 nan 0.000 0.572 216 G N -1.819 106.899 108.800 -0.136 0.000 2.543 216 G HA2 0.674 1.928 3.960 -4.511 0.000 0.290 216 G HA3 0.674 1.928 3.960 -4.511 0.000 0.290 216 G C 0.149 175.006 174.900 -0.072 0.000 1.310 216 G CA 0.335 45.323 45.100 -0.188 0.000 1.025 216 G HN 1.803 nan 8.290 nan 0.000 0.502 217 Y N -2.257 117.963 120.300 -0.134 0.000 2.672 217 Y HA 0.486 2.327 4.550 -4.515 0.000 0.272 217 Y C 1.590 177.462 175.900 -0.046 0.000 1.055 217 Y CA -0.599 57.458 58.100 -0.072 0.000 1.151 217 Y CB 0.106 38.543 38.460 -0.037 0.000 1.190 217 Y HN 0.486 nan 8.280 nan 0.000 0.574 218 G N 1.285 109.938 108.800 -0.244 0.000 2.499 218 G HA2 -0.221 1.033 3.960 -4.511 0.000 0.221 218 G HA3 -0.221 1.033 3.960 -4.511 0.000 0.221 218 G C 1.645 176.535 174.900 -0.017 0.000 1.109 218 G CA 0.353 45.333 45.100 -0.200 0.000 0.749 218 G HN 0.291 nan 8.290 nan 0.000 0.568 219 R N 0.643 121.153 120.500 0.016 0.000 2.328 219 R HA 0.005 1.638 4.340 -4.511 0.000 0.200 219 R C 2.397 178.766 176.300 0.116 0.000 0.983 219 R CA 1.067 57.202 56.100 0.058 0.000 1.062 219 R CB -0.689 29.640 30.300 0.050 0.000 0.956 219 R HN 0.557 nan 8.270 nan 0.000 0.479 220 T N -2.697 111.955 114.554 0.164 0.000 2.995 220 T HA -0.043 1.600 4.350 -4.511 0.000 0.269 220 T C 0.731 175.411 174.700 -0.034 0.000 1.091 220 T CA 0.829 62.982 62.100 0.088 0.000 1.128 220 T CB -0.132 68.809 68.868 0.121 0.000 0.891 220 T HN 0.025 nan 8.240 nan 0.000 0.492 221 Y N -0.756 119.594 120.300 0.082 0.000 2.488 221 Y HA 0.510 2.351 4.550 -4.516 0.000 0.325 221 Y C 0.829 176.814 175.900 0.142 0.000 1.204 221 Y CA -2.085 56.083 58.100 0.113 0.000 1.229 221 Y CB 0.805 39.300 38.460 0.058 0.000 1.274 221 Y HN -0.059 nan 8.280 nan 0.000 0.493 222 F N 0.034 120.114 119.950 0.216 0.000 2.367 222 F HA 0.113 1.933 4.527 -4.513 0.000 0.298 222 F C 0.767 176.628 175.800 0.101 0.000 1.094 222 F CA 0.758 58.836 58.000 0.130 0.000 1.409 222 F CB 0.263 39.332 39.000 0.115 0.000 1.064 222 F HN 0.241 nan 8.300 nan 0.000 0.528 223 S N 0.910 116.646 115.700 0.060 0.000 2.707 223 S HA 0.579 2.342 4.470 -4.511 0.000 0.312 223 S C -0.972 173.589 174.600 -0.066 0.000 1.116 223 S CA -0.573 57.575 58.200 -0.087 0.000 1.078 223 S CB -0.051 63.166 63.200 0.028 0.000 0.997 223 S HN 0.405 nan 8.310 nan 0.000 0.477 224 C N 2.526 121.750 119.300 -0.126 0.000 2.985 224 C HA 0.708 2.461 4.460 -4.511 0.000 0.314 224 C C 1.603 176.515 174.990 -0.130 0.000 1.215 224 C CA -0.046 58.890 59.018 -0.136 0.000 1.414 224 C CB 0.576 28.231 27.740 -0.141 0.000 1.842 224 C HN 0.808 nan 8.230 nan 0.000 0.477 225 T N -0.172 114.334 114.554 -0.080 0.000 2.995 225 T HA 0.076 1.719 4.350 -4.511 0.000 0.269 225 T C 0.780 175.471 174.700 -0.015 0.000 1.091 225 T CA 1.162 63.243 62.100 -0.031 0.000 1.128 225 T CB -0.611 68.322 68.868 0.108 0.000 0.891 225 T HN 1.302 nan 8.240 nan 0.000 0.492 226 S N 1.461 117.088 115.700 -0.121 0.000 2.585 226 S HA 0.675 2.439 4.470 -4.511 0.000 0.273 226 S C 0.551 175.042 174.600 -0.181 0.000 1.339 226 S CA -0.688 57.352 58.200 -0.266 0.000 1.028 226 S CB 0.746 63.654 63.200 -0.487 0.000 0.906 226 S HN 0.701 nan 8.310 nan 0.000 0.528 227 A N 1.214 123.950 122.820 -0.141 0.000 2.366 227 A HA 0.217 1.830 4.320 -4.511 0.000 0.250 227 A C 1.250 178.781 177.584 -0.088 0.000 1.099 227 A CA -0.318 51.716 52.037 -0.005 0.000 0.794 227 A CB -0.418 18.705 19.000 0.206 0.000 1.056 227 A HN 1.011 nan 8.150 nan 0.000 0.499 228 H N 0.216 119.308 119.070 0.037 0.000 2.518 228 H HA -0.091 1.759 4.556 -4.511 0.000 0.289 228 H C 1.709 177.064 175.328 0.045 0.000 1.051 228 H CA 1.975 58.045 56.048 0.037 0.000 1.280 228 H CB -0.198 29.596 29.762 0.053 0.000 1.380 228 H HN 0.790 nan 8.280 nan 0.000 0.566 229 T N -2.597 112.044 114.554 0.145 0.000 3.105 229 T HA 0.124 1.768 4.350 -4.511 0.000 0.253 229 T C 0.809 175.541 174.700 0.052 0.000 1.047 229 T CA -0.333 61.839 62.100 0.119 0.000 0.944 229 T CB 0.057 69.005 68.868 0.135 0.000 1.016 229 T HN -0.073 nan 8.240 nan 0.000 0.544 230 S N 3.168 118.857 115.700 -0.018 0.000 3.483 230 S HA 0.277 2.041 4.470 -4.511 0.000 0.274 230 S C 1.086 175.688 174.600 0.003 0.000 1.289 230 S CA -0.484 57.671 58.200 -0.075 0.000 0.938 230 S CB -0.129 62.930 63.200 -0.235 0.000 1.453 230 S HN 0.718 nan 8.310 nan 0.000 0.494 231 T N -1.703 112.883 114.554 0.054 0.000 3.182 231 T HA 0.373 2.016 4.350 -4.511 0.000 0.277 231 T C 1.109 175.870 174.700 0.101 0.000 1.013 231 T CA -0.001 62.157 62.100 0.098 0.000 0.900 231 T CB 0.124 69.067 68.868 0.125 0.000 1.098 231 T HN 0.634 nan 8.240 nan 0.000 0.543 232 G N 2.350 111.211 108.800 0.102 0.000 2.395 232 G HA2 -0.234 1.019 3.960 -4.511 0.000 0.292 232 G HA3 -0.234 1.019 3.960 -4.511 0.000 0.292 232 G C 0.406 175.309 174.900 0.006 0.000 0.953 232 G CA 0.384 45.535 45.100 0.084 0.000 1.207 232 G HN 0.516 nan 8.290 nan 0.000 0.503 233 D N 0.051 120.438 120.400 -0.022 0.000 2.149 233 D HA -0.039 1.894 4.640 -4.511 0.000 0.201 233 D C 2.437 178.677 176.300 -0.100 0.000 0.972 233 D CA 1.398 55.353 54.000 -0.075 0.000 0.835 233 D CB -0.471 40.209 40.800 -0.200 0.000 0.966 233 D HN 0.528 nan 8.370 nan 0.000 0.476 234 G N 0.369 109.113 108.800 -0.093 0.000 2.448 234 G HA2 -0.174 1.079 3.960 -4.511 0.000 0.218 234 G HA3 -0.174 1.079 3.960 -4.511 0.000 0.218 234 G C 1.636 176.492 174.900 -0.073 0.000 1.135 234 G CA 1.107 46.154 45.100 -0.087 0.000 0.784 234 G HN 0.210 nan 8.290 nan 0.000 0.543 235 T N 1.785 116.297 114.554 -0.069 0.000 2.746 235 T HA -0.007 1.637 4.350 -4.511 0.000 0.267 235 T C 2.760 177.403 174.700 -0.096 0.000 1.039 235 T CA 1.419 63.464 62.100 -0.093 0.000 1.142 235 T CB -0.306 68.483 68.868 -0.131 0.000 0.866 235 T HN 0.333 nan 8.240 nan 0.000 0.444 236 A N 1.003 123.777 122.820 -0.077 0.000 2.014 236 A HA 0.113 1.726 4.320 -4.511 0.000 0.218 236 A C 2.315 179.875 177.584 -0.039 0.000 1.163 236 A CA 1.049 53.055 52.037 -0.051 0.000 0.652 236 A CB -0.662 18.327 19.000 -0.018 0.000 0.808 236 A HN 0.439 nan 8.150 nan 0.000 0.449 237 M N -0.901 118.669 119.600 -0.050 0.000 2.175 237 M HA -0.109 1.664 4.480 -4.511 0.000 0.264 237 M C 2.036 178.310 176.300 -0.044 0.000 1.063 237 M CA 1.207 56.479 55.300 -0.046 0.000 1.119 237 M CB -0.271 32.290 32.600 -0.065 0.000 1.377 237 M HN 0.249 nan 8.290 nan 0.000 0.415 238 V N -0.274 119.607 119.914 -0.055 0.000 2.358 238 V HA -0.236 1.177 4.120 -4.511 0.000 0.246 238 V C 2.285 178.350 176.094 -0.047 0.000 1.047 238 V CA 2.110 64.376 62.300 -0.056 0.000 1.035 238 V CB -0.906 30.872 31.823 -0.075 0.000 0.658 238 V HN 0.484 nan 8.190 nan 0.000 0.452 239 T N -0.241 114.279 114.554 -0.056 0.000 2.652 239 T HA -0.222 1.421 4.350 -4.511 0.000 0.267 239 T C 2.038 176.731 174.700 -0.012 0.000 1.039 239 T CA 1.614 63.686 62.100 -0.046 0.000 1.153 239 T CB -0.275 68.555 68.868 -0.063 0.000 0.863 239 T HN 0.392 nan 8.240 nan 0.000 0.428 240 R N 0.816 121.310 120.500 -0.009 0.000 2.193 240 R HA 0.066 1.699 4.340 -4.511 0.000 0.229 240 R C 2.397 178.699 176.300 0.003 0.000 1.110 240 R CA 0.956 57.058 56.100 0.004 0.000 0.988 240 R CB -0.252 30.052 30.300 0.007 0.000 0.871 240 R HN 0.316 nan 8.270 nan 0.000 0.458 241 A N -0.046 122.773 122.820 -0.002 0.000 2.235 241 A HA 0.174 1.787 4.320 -4.511 0.000 0.208 241 A C 1.503 179.097 177.584 0.016 0.000 1.172 241 A CA 0.851 52.889 52.037 0.000 0.000 0.786 241 A CB -0.074 18.920 19.000 -0.010 0.000 0.804 241 A HN 0.439 nan 8.150 nan 0.000 0.479 242 G N -1.529 107.292 108.800 0.036 0.000 2.176 242 G HA2 -0.223 1.030 3.960 -4.511 0.000 0.253 242 G HA3 -0.223 1.030 3.960 -4.511 0.000 0.253 242 G C 0.158 175.162 174.900 0.173 0.000 0.979 242 G CA 0.363 45.510 45.100 0.079 0.000 0.641 242 G HN 0.438 nan 8.290 nan 0.000 0.530 243 L N 1.956 123.239 121.223 0.100 0.000 2.439 243 L HA 0.496 2.129 4.340 -4.511 0.000 0.261 243 L C -1.381 175.459 176.870 -0.050 0.000 1.153 243 L CA -2.074 52.816 54.840 0.083 0.000 0.808 243 L CB 0.745 42.805 42.059 0.001 0.000 1.126 243 L HN -0.013 nan 8.230 nan 0.000 0.460 244 P HA 0.216 nan 4.420 nan 0.000 0.284 244 P C -1.154 175.935 177.300 -0.351 0.000 1.258 244 P CA -0.597 62.120 63.100 -0.639 0.000 0.824 244 P CB 1.264 32.523 31.700 -0.735 0.000 1.038 245 C N 0.944 120.033 119.300 -0.352 0.000 2.345 245 C HA 0.582 2.335 4.460 -4.511 0.000 0.370 245 C C 0.262 175.133 174.990 -0.198 0.000 1.209 245 C CA -0.140 58.744 59.018 -0.222 0.000 2.133 245 C CB 1.073 28.700 27.740 -0.188 0.000 2.293 245 C HN 0.559 nan 8.230 nan 0.000 0.544 246 Q N 0.221 119.952 119.800 -0.115 0.000 2.372 246 Q HA 0.239 1.872 4.340 -4.511 0.000 0.273 246 Q C -1.006 175.023 176.000 0.050 0.000 1.078 246 Q CA -0.297 55.469 55.803 -0.062 0.000 0.806 246 Q CB 1.278 29.942 28.738 -0.123 0.000 1.332 246 Q HN 0.818 nan 8.270 nan 0.000 0.435 247 D N 2.418 122.914 120.400 0.159 0.000 2.792 247 D HA -0.232 1.702 4.640 -4.511 0.000 0.231 247 D C 0.780 177.309 176.300 0.383 0.000 1.160 247 D CA 0.783 54.998 54.000 0.359 0.000 0.697 247 D CB -0.709 40.248 40.800 0.263 0.000 1.070 247 D HN 0.645 nan 8.370 nan 0.000 0.426 248 L N 0.325 121.679 121.223 0.218 0.000 2.353 248 L HA -0.159 1.475 4.340 -4.511 0.000 0.220 248 L C 2.502 179.519 176.870 0.244 0.000 1.133 248 L CA 1.292 56.264 54.840 0.220 0.000 0.798 248 L CB -0.275 41.816 42.059 0.054 0.000 0.922 248 L HN 0.218 nan 8.230 nan 0.000 0.445 249 E N 0.204 120.484 120.200 0.132 0.000 2.482 249 E HA -0.146 1.497 4.350 -4.511 0.000 0.196 249 E C 0.117 176.652 176.600 -0.108 0.000 1.047 249 E CA 0.218 56.597 56.400 -0.035 0.000 0.869 249 E CB -0.147 29.384 29.700 -0.281 0.000 0.836 249 E HN 0.306 nan 8.360 nan 0.000 0.520 250 F N 1.835 121.863 119.950 0.129 0.000 2.406 250 F HA 0.230 2.043 4.527 -4.523 0.000 0.358 250 F C -0.184 175.688 175.800 0.120 0.000 1.161 250 F CA -0.630 57.454 58.000 0.140 0.000 1.185 250 F CB 1.078 40.157 39.000 0.131 0.000 1.421 250 F HN -0.281 nan 8.300 nan 0.000 0.576 251 V N 3.420 123.463 119.914 0.215 0.000 2.370 251 V HA 0.239 1.652 4.120 -4.511 0.000 0.283 251 V C 0.002 176.125 176.094 0.048 0.000 1.023 251 V CA -0.947 61.378 62.300 0.042 0.000 0.857 251 V CB 1.466 33.248 31.823 -0.069 0.000 0.985 251 V HN 0.566 nan 8.190 nan 0.000 0.443 252 Q N 3.391 123.204 119.800 0.022 0.000 2.296 252 Q HA 0.357 1.991 4.340 -4.511 0.000 0.262 252 Q C -1.443 174.525 176.000 -0.054 0.000 0.981 252 Q CA -0.301 55.561 55.803 0.098 0.000 0.905 252 Q CB 0.599 29.455 28.738 0.196 0.000 1.186 252 Q HN 0.631 nan 8.270 nan 0.000 0.399 253 F N 3.208 123.154 119.950 -0.008 0.000 2.350 253 F HA 0.168 1.986 4.527 -4.515 0.000 0.365 253 F C 0.237 176.028 175.800 -0.014 0.000 1.122 253 F CA -0.592 57.394 58.000 -0.024 0.000 1.139 253 F CB 0.591 39.544 39.000 -0.077 0.000 1.220 253 F HN 0.608 nan 8.300 nan 0.000 0.499 254 H N 5.396 124.478 119.070 0.021 0.000 2.929 254 H HA 0.115 1.964 4.556 -4.511 0.000 0.317 254 H C -1.715 173.586 175.328 -0.045 0.000 1.031 254 H CA -1.194 54.782 56.048 -0.120 0.000 1.466 254 H CB 1.125 30.649 29.762 -0.396 0.000 1.482 254 H HN 0.317 nan 8.280 nan 0.000 0.561 255 P HA -0.120 nan 4.420 nan 0.000 0.215 255 P C 0.027 177.394 177.300 0.112 0.000 1.153 255 P CA 1.527 64.612 63.100 -0.025 0.000 0.853 255 P CB 0.250 31.862 31.700 -0.147 0.000 0.788 256 T N -2.326 112.385 114.554 0.262 0.000 3.262 256 T HA 0.640 2.283 4.350 -4.511 0.000 0.374 256 T C 0.282 175.057 174.700 0.126 0.000 1.504 256 T CA -0.834 61.384 62.100 0.197 0.000 1.158 256 T CB 0.103 69.056 68.868 0.142 0.000 1.157 256 T HN 0.002 nan 8.240 nan 0.000 0.644 257 G N 2.335 111.188 108.800 0.087 0.000 2.513 257 G HA2 0.616 1.869 3.960 -4.511 0.000 0.317 257 G HA3 0.616 1.869 3.960 -4.511 0.000 0.317 257 G C -0.420 174.495 174.900 0.025 0.000 1.277 257 G CA -1.035 44.070 45.100 0.008 0.000 0.955 257 G HN 0.815 nan 8.290 nan 0.000 0.484 258 I N 1.791 122.351 120.570 -0.016 0.000 2.815 258 I HA -0.057 1.406 4.170 -4.511 0.000 0.291 258 I C 1.424 177.559 176.117 0.031 0.000 1.209 258 I CA -0.226 61.079 61.300 0.009 0.000 1.431 258 I CB 0.754 38.735 38.000 -0.030 0.000 1.351 258 I HN 0.705 nan 8.210 nan 0.000 0.585 259 Y N 6.542 126.789 120.300 -0.089 0.000 2.352 259 Y HA 0.013 1.856 4.550 -4.512 0.000 0.292 259 Y C 1.558 177.420 175.900 -0.063 0.000 1.136 259 Y CA 1.222 59.248 58.100 -0.124 0.000 1.227 259 Y CB -0.313 37.933 38.460 -0.356 0.000 0.991 259 Y HN 0.664 nan 8.280 nan 0.000 0.545 260 G N 0.029 108.755 108.800 -0.123 0.000 2.587 260 G HA2 -0.058 1.196 3.960 -4.511 0.000 0.197 260 G HA3 -0.058 1.196 3.960 -4.511 0.000 0.197 260 G C 1.590 176.415 174.900 -0.125 0.000 1.540 260 G CA 0.719 45.742 45.100 -0.129 0.000 0.910 260 G HN 0.456 nan 8.290 nan 0.000 0.437 261 A N -1.075 121.732 122.820 -0.021 0.000 2.209 261 A HA 0.418 2.031 4.320 -4.511 0.000 0.212 261 A C 1.965 179.456 177.584 -0.156 0.000 1.158 261 A CA 1.547 53.552 52.037 -0.053 0.000 0.742 261 A CB -0.582 18.464 19.000 0.076 0.000 0.790 261 A HN 2.124 nan 8.150 nan 0.000 0.472 262 G N -2.106 106.598 108.800 -0.160 0.000 2.141 262 G HA2 -0.248 1.006 3.960 -4.511 0.000 0.231 262 G HA3 -0.248 1.006 3.960 -4.511 0.000 0.231 262 G C 0.235 175.035 174.900 -0.167 0.000 0.984 262 G CA -0.116 44.896 45.100 -0.146 0.000 0.660 262 G HN 0.617 nan 8.290 nan 0.000 0.525 263 C N 0.323 119.470 119.300 -0.255 0.000 2.634 263 C HA 0.453 2.207 4.460 -4.511 0.000 0.417 263 C C 1.263 176.136 174.990 -0.196 0.000 1.334 263 C CA -0.182 58.654 59.018 -0.303 0.000 1.829 263 C CB 0.004 27.397 27.740 -0.578 0.000 2.665 263 C HN 0.690 nan 8.230 nan 0.000 0.614 264 L N 3.994 125.118 121.223 -0.164 0.000 2.380 264 L HA 0.504 2.137 4.340 -4.511 0.000 0.273 264 L C -0.368 176.415 176.870 -0.145 0.000 1.138 264 L CA 0.535 55.273 54.840 -0.168 0.000 0.832 264 L CB 0.189 42.155 42.059 -0.155 0.000 1.124 264 L HN 0.542 nan 8.230 nan 0.000 0.454 265 I N 4.314 124.804 120.570 -0.133 0.000 2.389 265 I HA 0.221 1.684 4.170 -4.511 0.000 0.288 265 I C 0.470 176.558 176.117 -0.049 0.000 0.999 265 I CA -0.410 60.855 61.300 -0.059 0.000 1.129 265 I CB 1.743 39.740 38.000 -0.005 0.000 1.288 265 I HN 0.619 nan 8.210 nan 0.000 0.444 266 T N 3.190 117.740 114.554 -0.005 0.000 2.906 266 T HA -0.066 1.577 4.350 -4.511 0.000 0.320 266 T C 1.176 175.923 174.700 0.078 0.000 1.088 266 T CA 0.315 62.451 62.100 0.060 0.000 1.120 266 T CB 0.614 69.558 68.868 0.128 0.000 1.000 266 T HN 0.808 nan 8.240 nan 0.000 0.550 267 E N 1.851 122.085 120.200 0.056 0.000 2.347 267 E HA 0.017 1.660 4.350 -4.511 0.000 0.196 267 E C 2.077 178.429 176.600 -0.413 0.000 1.008 267 E CA 0.934 57.146 56.400 -0.313 0.000 0.852 267 E CB -0.726 28.525 29.700 -0.748 0.000 0.783 267 E HN 0.906 nan 8.360 nan 0.000 0.505 268 G N 0.297 109.084 108.800 -0.020 0.000 2.462 268 G HA2 -0.305 0.949 3.960 -4.511 0.000 0.220 268 G HA3 -0.305 0.949 3.960 -4.511 0.000 0.220 268 G C 1.547 176.494 174.900 0.078 0.000 1.121 268 G CA 0.924 46.148 45.100 0.207 0.000 0.758 268 G HN 0.390 nan 8.290 nan 0.000 0.559 269 C N -0.010 119.306 119.300 0.027 0.000 2.413 269 C HA -0.008 1.746 4.460 -4.511 0.000 0.277 269 C C 2.921 177.905 174.990 -0.011 0.000 1.228 269 C CA 0.879 59.906 59.018 0.014 0.000 1.731 269 C CB -0.893 26.855 27.740 0.015 0.000 2.042 269 C HN 0.471 nan 8.230 nan 0.000 0.468 270 R N 0.491 120.953 120.500 -0.063 0.000 2.115 270 R HA -0.017 1.616 4.340 -4.511 0.000 0.226 270 R C 2.395 178.653 176.300 -0.070 0.000 1.100 270 R CA 1.329 57.382 56.100 -0.079 0.000 0.980 270 R CB -0.556 29.658 30.300 -0.143 0.000 0.875 270 R HN 0.647 nan 8.270 nan 0.000 0.445 271 G N 0.527 109.275 108.800 -0.085 0.000 2.484 271 G HA2 -0.177 1.076 3.960 -4.511 0.000 0.218 271 G HA3 -0.177 1.076 3.960 -4.511 0.000 0.218 271 G C 1.148 176.100 174.900 0.086 0.000 1.130 271 G CA 0.266 45.366 45.100 0.000 0.000 0.784 271 G HN 0.189 nan 8.290 nan 0.000 0.543 272 E N -0.191 120.060 120.200 0.083 0.000 2.474 272 E HA 0.175 1.818 4.350 -4.511 0.000 0.194 272 E C 1.622 178.263 176.600 0.069 0.000 1.041 272 E CA 0.628 57.088 56.400 0.101 0.000 0.874 272 E CB 0.628 30.386 29.700 0.096 0.000 0.914 272 E HN 0.436 nan 8.360 nan 0.000 0.498 273 G N 0.853 109.687 108.800 0.057 0.000 2.200 273 G HA2 -0.139 1.114 3.960 -4.511 0.000 0.145 273 G HA3 -0.139 1.114 3.960 -4.511 0.000 0.145 273 G C 0.525 175.508 174.900 0.138 0.000 1.021 273 G CA -0.329 44.824 45.100 0.089 0.000 0.720 273 G HN 0.372 nan 8.290 nan 0.000 0.494 274 G N 0.026 108.863 108.800 0.062 0.000 2.527 274 G HA2 0.576 1.830 3.960 -4.511 0.000 0.248 274 G HA3 0.576 1.830 3.960 -4.511 0.000 0.248 274 G C -0.033 174.911 174.900 0.074 0.000 1.231 274 G CA -0.145 45.001 45.100 0.078 0.000 0.838 274 G HN 0.403 nan 8.290 nan 0.000 0.570 275 I N 0.521 121.152 120.570 0.101 0.000 2.785 275 I HA 0.407 1.870 4.170 -4.511 0.000 0.302 275 I C -0.819 175.308 176.117 0.017 0.000 1.069 275 I CA -1.103 60.204 61.300 0.012 0.000 1.045 275 I CB 1.792 39.768 38.000 -0.040 0.000 1.236 275 I HN 0.145 nan 8.210 nan 0.000 0.429 276 L N 4.752 125.938 121.223 -0.061 0.000 2.307 276 L HA 0.539 2.172 4.340 -4.511 0.000 0.284 276 L C -0.505 176.431 176.870 0.111 0.000 1.023 276 L CA -0.186 54.659 54.840 0.009 0.000 0.810 276 L CB 1.275 43.245 42.059 -0.148 0.000 1.231 276 L HN 0.329 nan 8.230 nan 0.000 0.423 277 I N 3.577 124.370 120.570 0.372 0.000 2.498 277 I HA 0.385 1.848 4.170 -4.511 0.000 0.290 277 I C -0.076 176.293 176.117 0.420 0.000 1.032 277 I CA -0.475 61.063 61.300 0.398 0.000 1.073 277 I CB 1.695 39.851 38.000 0.260 0.000 1.251 277 I HN 0.691 nan 8.210 nan 0.000 0.426 278 N N 3.156 122.063 118.700 0.346 0.000 2.431 278 N HA 0.164 2.198 4.740 -4.511 0.000 0.289 278 N C 1.066 176.621 175.510 0.075 0.000 1.277 278 N CA -0.039 53.041 53.050 0.050 0.000 0.972 278 N CB -0.007 38.410 38.487 -0.117 0.000 1.143 278 N HN 0.519 nan 8.380 nan 0.000 0.578 279 S N -1.944 113.748 115.700 -0.013 0.000 2.399 279 S HA -0.222 1.542 4.470 -4.511 0.000 0.231 279 S C 1.510 176.135 174.600 0.041 0.000 1.022 279 S CA 1.082 59.287 58.200 0.008 0.000 0.983 279 S CB -0.539 62.631 63.200 -0.051 0.000 0.803 279 S HN 0.708 nan 8.310 nan 0.000 0.480 280 Q N 0.472 120.295 119.800 0.039 0.000 2.425 280 Q HA 0.285 1.918 4.340 -4.511 0.000 0.204 280 Q C 1.417 177.453 176.000 0.060 0.000 0.933 280 Q CA 0.495 56.322 55.803 0.041 0.000 0.939 280 Q CB -0.081 28.674 28.738 0.029 0.000 1.044 280 Q HN 0.804 nan 8.270 nan 0.000 0.513 281 G N 0.502 109.356 108.800 0.091 0.000 2.234 281 G HA2 -0.260 0.993 3.960 -4.511 0.000 0.235 281 G HA3 -0.260 0.993 3.960 -4.511 0.000 0.235 281 G C 0.012 174.972 174.900 0.100 0.000 0.997 281 G CA 0.151 45.309 45.100 0.096 0.000 0.623 281 G HN 0.367 nan 8.290 nan 0.000 0.514 282 E N 1.337 121.600 120.200 0.105 0.000 2.376 282 E HA 0.169 1.813 4.350 -4.511 0.000 0.266 282 E C 0.787 177.483 176.600 0.159 0.000 1.009 282 E CA -0.480 55.982 56.400 0.104 0.000 0.902 282 E CB 0.287 30.042 29.700 0.092 0.000 0.972 282 E HN 0.427 nan 8.360 nan 0.000 0.439 283 R N 5.325 125.878 120.500 0.088 0.000 2.540 283 R HA -0.068 1.565 4.340 -4.511 0.000 0.317 283 R C 0.953 177.281 176.300 0.046 0.000 1.233 283 R CA -0.001 56.119 56.100 0.033 0.000 1.003 283 R CB -0.548 29.730 30.300 -0.037 0.000 1.034 283 R HN 0.510 nan 8.270 nan 0.000 0.483 284 F N 2.581 122.582 119.950 0.084 0.000 2.325 284 F HA -0.061 1.759 4.527 -4.513 0.000 0.299 284 F C 1.314 177.257 175.800 0.239 0.000 1.090 284 F CA 0.257 58.347 58.000 0.150 0.000 1.392 284 F CB -0.132 38.983 39.000 0.191 0.000 1.053 284 F HN 0.293 nan 8.300 nan 0.000 0.521 285 M N 1.069 120.364 119.600 -0.508 0.000 2.557 285 M HA -0.079 1.694 4.480 -4.511 0.000 0.259 285 M C 1.909 178.188 176.300 -0.035 0.000 1.086 285 M CA 0.915 56.059 55.300 -0.260 0.000 1.096 285 M CB -1.236 31.075 32.600 -0.482 0.000 1.424 285 M HN 0.455 nan 8.290 nan 0.000 0.488 286 E N -0.189 119.989 120.200 -0.037 0.000 2.358 286 E HA -0.125 1.519 4.350 -4.511 0.000 0.195 286 E C 2.145 178.755 176.600 0.016 0.000 1.010 286 E CA 0.405 56.800 56.400 -0.009 0.000 0.856 286 E CB 0.318 30.005 29.700 -0.022 0.000 0.795 286 E HN 0.364 nan 8.360 nan 0.000 0.504 287 R N -0.794 119.724 120.500 0.030 0.000 2.090 287 R HA -0.050 1.583 4.340 -4.511 0.000 0.219 287 R C 1.639 177.888 176.300 -0.085 0.000 1.100 287 R CA 0.774 56.838 56.100 -0.061 0.000 0.991 287 R CB 0.005 30.213 30.300 -0.153 0.000 0.893 287 R HN 0.218 nan 8.270 nan 0.000 0.443 288 Y N -0.033 120.300 120.300 0.056 0.000 2.220 288 Y HA 0.101 1.944 4.550 -4.512 0.000 0.291 288 Y C 0.890 176.822 175.900 0.053 0.000 1.129 288 Y CA 0.853 58.993 58.100 0.066 0.000 1.161 288 Y CB 0.178 38.693 38.460 0.092 0.000 0.997 288 Y HN 0.048 nan 8.280 nan 0.000 0.522 289 A N 0.082 123.017 122.820 0.192 0.000 2.323 289 A HA 0.434 2.047 4.320 -4.511 0.000 0.305 289 A C -2.197 175.431 177.584 0.074 0.000 1.275 289 A CA -1.456 50.657 52.037 0.127 0.000 0.804 289 A CB 0.641 19.711 19.000 0.117 0.000 1.152 289 A HN 0.002 nan 8.150 nan 0.000 0.487 290 P HA -0.063 nan 4.420 nan 0.000 0.218 290 P C 1.393 178.711 177.300 0.030 0.000 1.152 290 P CA 0.858 63.977 63.100 0.032 0.000 0.826 290 P CB 0.259 31.973 31.700 0.024 0.000 0.790 291 V N -0.024 119.916 119.914 0.044 0.000 2.374 291 V HA 0.007 1.420 4.120 -4.511 0.000 0.241 291 V C 2.419 178.542 176.094 0.048 0.000 1.034 291 V CA 2.062 64.386 62.300 0.040 0.000 1.037 291 V CB -1.697 30.151 31.823 0.041 0.000 0.682 291 V HN 0.032 nan 8.190 nan 0.000 0.463 292 A N -1.605 121.263 122.820 0.081 0.000 2.081 292 A HA 0.115 1.729 4.320 -4.511 0.000 0.214 292 A C 1.279 178.870 177.584 0.011 0.000 1.158 292 A CA 0.861 52.940 52.037 0.070 0.000 0.724 292 A CB -0.045 19.047 19.000 0.153 0.000 0.826 292 A HN 0.563 nan 8.150 nan 0.000 0.463 293 K N -1.305 119.103 120.400 0.012 0.000 1.909 293 K HA -0.236 1.377 4.320 -4.511 0.000 0.242 293 K C 0.112 176.666 176.600 -0.077 0.000 1.617 293 K CA 1.467 57.736 56.287 -0.030 0.000 0.522 293 K CB -1.177 31.296 32.500 -0.044 0.000 0.770 293 K HN 0.523 nan 8.250 nan 0.000 0.792 294 D N 0.677 121.003 120.400 -0.124 0.000 2.371 294 D HA 0.040 1.973 4.640 -4.511 0.000 0.234 294 D C 0.734 176.937 176.300 -0.161 0.000 1.049 294 D CA 0.437 54.335 54.000 -0.169 0.000 0.907 294 D CB 0.057 40.739 40.800 -0.198 0.000 0.891 294 D HN 0.231 nan 8.370 nan 0.000 0.531 295 L N -0.078 121.063 121.223 -0.137 0.000 3.062 295 L HA 0.528 2.162 4.340 -4.511 0.000 0.255 295 L C 0.355 177.114 176.870 -0.185 0.000 1.274 295 L CA -0.659 54.084 54.840 -0.161 0.000 1.047 295 L CB -0.298 41.692 42.059 -0.116 0.000 1.402 295 L HN 0.094 nan 8.230 nan 0.000 0.550 296 A N -1.292 121.404 122.820 -0.206 0.000 2.257 296 A HA 0.642 2.256 4.320 -4.511 0.000 0.290 296 A C 0.593 177.893 177.584 -0.473 0.000 1.201 296 A CA -0.326 51.518 52.037 -0.322 0.000 0.863 296 A CB 0.156 19.066 19.000 -0.150 0.000 1.256 296 A HN 0.243 nan 8.150 nan 0.000 0.506 297 S N -0.541 114.734 115.700 -0.709 0.000 2.568 297 S HA 0.097 1.860 4.470 -4.511 0.000 0.282 297 S C 1.458 175.890 174.600 -0.281 0.000 1.338 297 S CA -0.346 57.548 58.200 -0.510 0.000 1.045 297 S CB 0.366 63.291 63.200 -0.458 0.000 0.873 297 S HN 0.573 nan 8.310 nan 0.000 0.516 298 R N 1.426 121.787 120.500 -0.231 0.000 2.148 298 R HA -0.099 1.535 4.340 -4.511 0.000 0.227 298 R C 1.604 177.830 176.300 -0.123 0.000 1.103 298 R CA 1.390 57.366 56.100 -0.207 0.000 0.983 298 R CB -0.298 29.870 30.300 -0.220 0.000 0.874 298 R HN 0.768 nan 8.270 nan 0.000 0.451 299 D N 0.052 120.406 120.400 -0.076 0.000 2.183 299 D HA -0.085 1.849 4.640 -4.511 0.000 0.203 299 D C 1.713 177.969 176.300 -0.074 0.000 0.969 299 D CA 0.765 54.741 54.000 -0.040 0.000 0.842 299 D CB -0.176 40.634 40.800 0.017 0.000 0.957 299 D HN 0.037 nan 8.370 nan 0.000 0.484 300 V N 0.715 120.587 119.914 -0.070 0.000 2.446 300 V HA -0.121 1.292 4.120 -4.511 0.000 0.244 300 V C 2.901 178.940 176.094 -0.090 0.000 1.039 300 V CA 0.722 62.994 62.300 -0.047 0.000 1.045 300 V CB -0.055 31.775 31.823 0.011 0.000 0.681 300 V HN 0.064 nan 8.190 nan 0.000 0.459 301 V N 1.398 121.240 119.914 -0.119 0.000 2.295 301 V HA -0.219 1.194 4.120 -4.511 0.000 0.246 301 V C 2.732 178.768 176.094 -0.097 0.000 1.049 301 V CA 2.403 64.628 62.300 -0.125 0.000 1.024 301 V CB -0.905 30.821 31.823 -0.162 0.000 0.648 301 V HN 0.734 nan 8.190 nan 0.000 0.447 302 S N 0.340 115.980 115.700 -0.099 0.000 2.423 302 S HA -0.218 1.546 4.470 -4.511 0.000 0.231 302 S C 1.996 176.525 174.600 -0.119 0.000 1.014 302 S CA 1.295 59.451 58.200 -0.074 0.000 0.965 302 S CB -0.446 62.730 63.200 -0.041 0.000 0.785 302 S HN 0.469 nan 8.310 nan 0.000 0.495 303 R N 1.842 122.243 120.500 -0.164 0.000 2.081 303 R HA 0.015 1.649 4.340 -4.511 0.000 0.235 303 R C 2.324 178.589 176.300 -0.059 0.000 1.131 303 R CA 1.900 57.886 56.100 -0.191 0.000 0.960 303 R CB -0.768 29.424 30.300 -0.180 0.000 0.856 303 R HN 0.495 nan 8.270 nan 0.000 0.436 304 S N -0.062 115.511 115.700 -0.212 0.000 2.387 304 S HA -0.096 1.668 4.470 -4.511 0.000 0.226 304 S C 1.883 176.334 174.600 -0.248 0.000 1.026 304 S CA 1.452 59.339 58.200 -0.522 0.000 0.972 304 S CB -0.147 62.463 63.200 -0.984 0.000 0.814 304 S HN 0.289 nan 8.310 nan 0.000 0.477 305 M N 1.253 120.813 119.600 -0.067 0.000 2.117 305 M HA -0.102 1.671 4.480 -4.511 0.000 0.262 305 M C 2.287 178.535 176.300 -0.088 0.000 1.065 305 M CA 1.387 56.651 55.300 -0.060 0.000 1.114 305 M CB -1.105 31.525 32.600 0.051 0.000 1.361 305 M HN 0.250 nan 8.290 nan 0.000 0.408 306 T N 0.973 115.516 114.554 -0.019 0.000 2.833 306 T HA -0.112 1.531 4.350 -4.511 0.000 0.269 306 T C 1.715 176.444 174.700 0.047 0.000 1.054 306 T CA 0.987 63.112 62.100 0.042 0.000 1.135 306 T CB -0.229 68.704 68.868 0.109 0.000 0.869 306 T HN 0.174 nan 8.240 nan 0.000 0.466 307 L N 1.100 122.357 121.223 0.056 0.000 2.109 307 L HA 0.022 1.655 4.340 -4.511 0.000 0.207 307 L C 2.475 179.309 176.870 -0.060 0.000 1.086 307 L CA 1.568 56.400 54.840 -0.012 0.000 0.760 307 L CB -0.437 41.656 42.059 0.056 0.000 0.910 307 L HN 0.067 nan 8.230 nan 0.000 0.437 308 E N -0.282 119.844 120.200 -0.123 0.000 2.110 308 E HA -0.190 1.454 4.350 -4.511 0.000 0.193 308 E C 2.280 178.779 176.600 -0.170 0.000 0.988 308 E CA 1.493 57.777 56.400 -0.193 0.000 0.804 308 E CB -0.219 29.201 29.700 -0.467 0.000 0.745 308 E HN 0.552 nan 8.360 nan 0.000 0.458 309 I N 0.501 120.981 120.570 -0.151 0.000 2.286 309 I HA -0.247 1.216 4.170 -4.511 0.000 0.248 309 I C 2.531 178.592 176.117 -0.094 0.000 1.115 309 I CA 1.030 62.257 61.300 -0.121 0.000 1.392 309 I CB -0.213 37.736 38.000 -0.084 0.000 1.065 309 I HN -0.048 nan 8.210 nan 0.000 0.418 310 R N 1.009 121.456 120.500 -0.087 0.000 2.115 310 R HA -0.105 1.528 4.340 -4.511 0.000 0.230 310 R C 1.044 177.294 176.300 -0.083 0.000 1.111 310 R CA 1.033 57.080 56.100 -0.089 0.000 0.976 310 R CB -0.118 30.110 30.300 -0.120 0.000 0.870 310 R HN 0.456 nan 8.270 nan 0.000 0.445 311 E N -0.150 120.002 120.200 -0.080 0.000 2.336 311 E HA 0.142 1.786 4.350 -4.511 0.000 0.214 311 E C 0.478 177.038 176.600 -0.067 0.000 1.144 311 E CA 0.413 56.773 56.400 -0.066 0.000 1.294 311 E CB 0.637 30.305 29.700 -0.053 0.000 1.263 311 E HN 0.383 nan 8.360 nan 0.000 0.439 312 G N 2.217 110.973 108.800 -0.074 0.000 2.162 312 G HA2 -0.362 0.892 3.960 -4.511 0.000 0.260 312 G HA3 -0.362 0.892 3.960 -4.511 0.000 0.260 312 G C 0.683 175.530 174.900 -0.089 0.000 0.976 312 G CA 0.206 45.262 45.100 -0.074 0.000 0.655 312 G HN 0.309 nan 8.290 nan 0.000 0.533 313 R N 0.961 121.395 120.500 -0.110 0.000 4.031 313 R HA 0.475 2.108 4.340 -4.511 0.000 0.269 313 R C 1.397 177.585 176.300 -0.188 0.000 1.668 313 R CA 0.571 56.591 56.100 -0.133 0.000 1.432 313 R CB 0.174 30.392 30.300 -0.138 0.000 1.374 313 R HN 0.416 nan 8.270 nan 0.000 0.681 314 G N -1.054 107.632 108.800 -0.190 0.000 2.537 314 G HA2 0.204 1.457 3.960 -4.511 0.000 0.273 314 G HA3 0.204 1.457 3.960 -4.511 0.000 0.273 314 G C -0.205 174.485 174.900 -0.350 0.000 1.189 314 G CA -0.486 44.447 45.100 -0.278 0.000 0.881 314 G HN 0.437 nan 8.290 nan 0.000 0.535 315 C N 1.250 120.171 119.300 -0.631 0.000 2.667 315 C HA 0.725 2.478 4.460 -4.511 0.000 0.261 315 C C 1.036 175.517 174.990 -0.849 0.000 1.590 315 C CA -0.164 58.435 59.018 -0.700 0.000 1.668 315 C CB -1.083 26.115 27.740 -0.904 0.000 2.962 315 C HN 1.024 nan 8.230 nan 0.000 0.525 316 G N 0.734 109.208 108.800 -0.544 0.000 2.663 316 G HA2 0.509 1.762 3.960 -4.511 0.000 0.299 316 G HA3 0.509 1.762 3.960 -4.511 0.000 0.299 316 G C -2.486 172.357 174.900 -0.094 0.000 1.372 316 G CA -0.422 44.533 45.100 -0.241 0.000 0.781 316 G HN -0.063 nan 8.290 nan 0.000 0.491 317 P HA 0.077 nan 4.420 nan 0.000 0.226 317 P C 0.892 178.202 177.300 0.016 0.000 1.153 317 P CA 0.970 64.082 63.100 0.020 0.000 0.777 317 P CB 0.550 32.285 31.700 0.058 0.000 0.794 318 E N -0.457 119.752 120.200 0.014 0.000 2.473 318 E HA 0.091 1.734 4.350 -4.511 0.000 0.204 318 E C -0.086 176.495 176.600 -0.031 0.000 0.994 318 E CA -0.023 56.392 56.400 0.025 0.000 0.945 318 E CB -0.296 29.466 29.700 0.103 0.000 0.990 318 E HN -0.150 nan 8.360 nan 0.000 0.493 319 K N 1.363 121.696 120.400 -0.111 0.000 3.653 319 K HA -0.172 1.441 4.320 -4.511 0.000 0.275 319 K C -0.930 175.574 176.600 -0.161 0.000 0.962 319 K CA 0.836 57.016 56.287 -0.178 0.000 0.773 319 K CB -1.321 31.107 32.500 -0.121 0.000 1.463 319 K HN 0.358 nan 8.250 nan 0.000 0.450 320 D N -1.194 119.086 120.400 -0.199 0.000 2.538 320 D HA 0.020 1.953 4.640 -4.511 0.000 0.241 320 D C 0.532 176.805 176.300 -0.044 0.000 1.297 320 D CA 0.089 54.054 54.000 -0.058 0.000 0.804 320 D CB 0.140 41.005 40.800 0.108 0.000 1.122 320 D HN 0.617 nan 8.370 nan 0.000 0.519 321 H N -2.055 116.852 119.070 -0.272 0.000 3.038 321 H HA 0.790 2.639 4.556 -4.512 0.000 0.289 321 H C -1.441 173.710 175.328 -0.296 0.000 1.510 321 H CA -1.006 54.881 56.048 -0.268 0.000 1.227 321 H CB 1.253 30.780 29.762 -0.392 0.000 1.880 321 H HN -0.174 nan 8.280 nan 0.000 0.594 322 V N 0.269 120.124 119.914 -0.099 0.000 3.078 322 V HA 0.257 1.671 4.120 -4.511 0.000 0.311 322 V C -1.291 174.786 176.094 -0.029 0.000 1.138 322 V CA -0.779 61.444 62.300 -0.128 0.000 1.007 322 V CB 2.386 34.204 31.823 -0.008 0.000 1.045 322 V HN 0.611 nan 8.190 nan 0.000 0.432 323 Y N 2.507 122.903 120.300 0.160 0.000 2.310 323 Y HA 0.551 2.395 4.550 -4.510 0.000 0.326 323 Y C 0.163 176.157 175.900 0.158 0.000 1.151 323 Y CA -0.686 57.513 58.100 0.164 0.000 1.195 323 Y CB 1.258 39.803 38.460 0.141 0.000 1.210 323 Y HN 0.356 nan 8.280 nan 0.000 0.483 324 L N 4.262 125.681 121.223 0.327 0.000 2.295 324 L HA 0.374 2.007 4.340 -4.511 0.000 0.281 324 L C -0.598 176.381 176.870 0.181 0.000 1.018 324 L CA -0.540 54.423 54.840 0.204 0.000 0.841 324 L CB 0.889 43.037 42.059 0.149 0.000 1.218 324 L HN 0.675 nan 8.230 nan 0.000 0.424 325 Q N 3.801 123.693 119.800 0.153 0.000 2.286 325 Q HA 0.326 1.959 4.340 -4.511 0.000 0.257 325 Q C -0.239 175.806 176.000 0.075 0.000 0.941 325 Q CA -0.115 55.757 55.803 0.115 0.000 0.912 325 Q CB 1.330 30.112 28.738 0.073 0.000 1.192 325 Q HN 0.830 nan 8.270 nan 0.000 0.410 326 L N 2.932 124.143 121.223 -0.020 0.000 3.284 326 L HA 0.059 1.692 4.340 -4.511 0.000 0.294 326 L C 1.653 178.364 176.870 -0.265 0.000 1.183 326 L CA -0.184 54.553 54.840 -0.170 0.000 1.056 326 L CB 0.079 42.106 42.059 -0.053 0.000 1.513 326 L HN 0.786 nan 8.230 nan 0.000 0.601 327 H N 0.008 119.051 119.070 -0.044 0.000 2.521 327 H HA -0.128 1.721 4.556 -4.511 0.000 0.286 327 H C 1.718 177.035 175.328 -0.018 0.000 1.034 327 H CA 1.373 57.405 56.048 -0.027 0.000 1.278 327 H CB -0.364 29.405 29.762 0.013 0.000 1.386 327 H HN 0.581 nan 8.280 nan 0.000 0.567 328 H N 0.434 119.359 119.070 -0.243 0.000 2.470 328 H HA 0.067 1.916 4.556 -4.511 0.000 0.289 328 H C 0.473 175.779 175.328 -0.038 0.000 1.033 328 H CA -0.297 55.685 56.048 -0.110 0.000 1.331 328 H CB -0.180 29.483 29.762 -0.165 0.000 1.414 328 H HN 0.097 nan 8.280 nan 0.000 0.545 329 L N 3.102 124.020 121.223 -0.507 0.000 2.426 329 L HA 0.228 1.861 4.340 -4.511 0.000 0.271 329 L C -1.977 174.833 176.870 -0.099 0.000 1.169 329 L CA -2.150 52.535 54.840 -0.257 0.000 0.836 329 L CB 0.310 42.197 42.059 -0.287 0.000 1.112 329 L HN 0.073 nan 8.230 nan 0.000 0.465 330 P HA 0.069 nan 4.420 nan 0.000 0.265 330 P C -1.887 175.401 177.300 -0.019 0.000 1.193 330 P CA -0.803 62.288 63.100 -0.016 0.000 0.765 330 P CB 0.066 31.762 31.700 -0.006 0.000 0.823 331 P HA -0.201 nan 4.420 nan 0.000 0.216 331 P C 1.333 178.627 177.300 -0.010 0.000 1.150 331 P CA 1.425 64.522 63.100 -0.005 0.000 0.837 331 P CB -0.182 31.519 31.700 0.002 0.000 0.786 332 E N 0.163 120.357 120.200 -0.010 0.000 2.274 332 E HA -0.215 1.429 4.350 -4.511 0.000 0.194 332 E C 1.949 178.536 176.600 -0.022 0.000 0.996 332 E CA 0.944 57.335 56.400 -0.015 0.000 0.840 332 E CB -0.793 28.899 29.700 -0.013 0.000 0.772 332 E HN 0.368 nan 8.360 nan 0.000 0.491 333 Q N 0.720 120.508 119.800 -0.020 0.000 2.096 333 Q HA -0.016 1.617 4.340 -4.511 0.000 0.197 333 Q C 2.502 178.489 176.000 -0.021 0.000 0.964 333 Q CA 0.628 56.417 55.803 -0.023 0.000 0.838 333 Q CB 0.067 28.796 28.738 -0.016 0.000 0.906 333 Q HN 0.323 nan 8.270 nan 0.000 0.444 334 L N 0.280 121.491 121.223 -0.020 0.000 2.046 334 L HA -0.148 1.485 4.340 -4.511 0.000 0.208 334 L C 2.511 179.376 176.870 -0.009 0.000 1.077 334 L CA 1.098 55.930 54.840 -0.013 0.000 0.747 334 L CB -0.508 41.541 42.059 -0.016 0.000 0.896 334 L HN 0.244 nan 8.230 nan 0.000 0.432 335 A N -0.811 122.001 122.820 -0.013 0.000 2.015 335 A HA -0.076 1.537 4.320 -4.511 0.000 0.219 335 A C 2.209 179.781 177.584 -0.020 0.000 1.163 335 A CA 1.470 53.499 52.037 -0.013 0.000 0.646 335 A CB -0.392 18.600 19.000 -0.013 0.000 0.806 335 A HN 0.236 nan 8.150 nan 0.000 0.448 336 V N -0.873 119.023 119.914 -0.030 0.000 2.672 336 V HA -0.015 1.399 4.120 -4.511 0.000 0.242 336 V C 2.438 178.503 176.094 -0.047 0.000 1.059 336 V CA 1.129 63.400 62.300 -0.048 0.000 1.081 336 V CB -0.508 31.270 31.823 -0.075 0.000 0.752 336 V HN 0.378 nan 8.190 nan 0.000 0.472 337 R N 0.140 120.622 120.500 -0.030 0.000 2.140 337 R HA 0.292 1.925 4.340 -4.511 0.000 0.213 337 R C 0.643 176.969 176.300 0.044 0.000 1.059 337 R CA 0.679 56.784 56.100 0.009 0.000 1.000 337 R CB -0.049 30.275 30.300 0.041 0.000 0.910 337 R HN 0.379 nan 8.270 nan 0.000 0.455 338 L N 1.217 122.456 121.223 0.026 0.000 2.625 338 L HA 0.303 1.937 4.340 -4.511 0.000 0.255 338 L C -2.016 174.863 176.870 0.015 0.000 1.493 338 L CA -1.199 53.660 54.840 0.032 0.000 0.796 338 L CB 1.937 44.017 42.059 0.036 0.000 1.064 338 L HN -0.157 nan 8.230 nan 0.000 0.516 339 P HA -0.018 nan 4.420 nan 0.000 0.222 339 P C 1.639 178.938 177.300 -0.003 0.000 1.153 339 P CA 0.758 63.856 63.100 -0.003 0.000 0.798 339 P CB 0.430 32.122 31.700 -0.014 0.000 0.796 340 G N 1.165 109.963 108.800 -0.003 0.000 2.404 340 G HA2 -0.208 1.045 3.960 -4.511 0.000 0.214 340 G HA3 -0.208 1.045 3.960 -4.511 0.000 0.214 340 G C 1.433 176.337 174.900 0.006 0.000 1.189 340 G CA 0.899 45.994 45.100 -0.008 0.000 0.789 340 G HN 0.381 nan 8.290 nan 0.000 0.533 341 I N -1.183 119.396 120.570 0.014 0.000 2.394 341 I HA 0.027 1.490 4.170 -4.511 0.000 0.251 341 I C 2.523 178.660 176.117 0.033 0.000 1.136 341 I CA 1.577 62.889 61.300 0.020 0.000 1.425 341 I CB -0.357 37.656 38.000 0.022 0.000 1.079 341 I HN -0.035 nan 8.210 nan 0.000 0.425 342 S N 0.915 116.633 115.700 0.029 0.000 2.383 342 S HA -0.178 1.585 4.470 -4.511 0.000 0.229 342 S C 1.896 176.519 174.600 0.039 0.000 1.030 342 S CA 1.810 60.029 58.200 0.032 0.000 1.002 342 S CB -0.378 62.834 63.200 0.020 0.000 0.829 342 S HN 0.614 nan 8.310 nan 0.000 0.467 343 E N 0.494 120.716 120.200 0.037 0.000 2.046 343 E HA -0.092 1.552 4.350 -4.511 0.000 0.190 343 E C 2.416 179.069 176.600 0.089 0.000 0.982 343 E CA 1.565 57.993 56.400 0.047 0.000 0.800 343 E CB -0.293 29.426 29.700 0.031 0.000 0.756 343 E HN 0.668 nan 8.360 nan 0.000 0.449 344 T N -0.440 114.177 114.554 0.105 0.000 2.951 344 T HA 0.037 1.680 4.350 -4.511 0.000 0.268 344 T C 2.035 176.861 174.700 0.210 0.000 1.073 344 T CA 0.813 63.029 62.100 0.192 0.000 1.134 344 T CB -0.068 68.849 68.868 0.081 0.000 0.884 344 T HN 0.128 nan 8.240 nan 0.000 0.479 345 A N 1.511 124.405 122.820 0.123 0.000 1.930 345 A HA 0.148 1.761 4.320 -4.511 0.000 0.217 345 A C 2.295 179.954 177.584 0.124 0.000 1.175 345 A CA 1.679 53.787 52.037 0.118 0.000 0.627 345 A CB -0.673 18.379 19.000 0.086 0.000 0.815 345 A HN 0.454 nan 8.150 nan 0.000 0.443 346 M N -0.218 119.441 119.600 0.098 0.000 2.200 346 M HA 0.077 1.850 4.480 -4.511 0.000 0.265 346 M C 1.677 178.013 176.300 0.060 0.000 1.066 346 M CA 1.462 56.804 55.300 0.069 0.000 1.127 346 M CB -0.536 32.091 32.600 0.045 0.000 1.379 346 M HN 0.367 nan 8.290 nan 0.000 0.420 347 I N -1.383 119.238 120.570 0.083 0.000 2.277 347 I HA -0.186 1.277 4.170 -4.511 0.000 0.243 347 I C 1.373 177.429 176.117 -0.102 0.000 1.094 347 I CA 1.052 62.343 61.300 -0.015 0.000 1.393 347 I CB -0.243 37.751 38.000 -0.011 0.000 1.078 347 I HN 0.139 nan 8.210 nan 0.000 0.417 348 F N -0.089 119.868 119.950 0.011 0.000 2.619 348 F HA 0.216 2.037 4.527 -4.510 0.000 0.293 348 F C 1.986 177.798 175.800 0.019 0.000 1.119 348 F CA 0.655 58.660 58.000 0.009 0.000 1.445 348 F CB 0.052 39.054 39.000 0.002 0.000 1.119 348 F HN -0.054 nan 8.300 nan 0.000 0.573 349 A N -0.960 121.971 122.820 0.185 0.000 2.551 349 A HA 0.516 2.129 4.320 -4.511 0.000 0.252 349 A C 1.544 179.186 177.584 0.098 0.000 1.199 349 A CA 0.411 52.530 52.037 0.137 0.000 0.972 349 A CB -0.514 18.573 19.000 0.145 0.000 1.153 349 A HN 0.372 nan 8.150 nan 0.000 0.559 350 G N -0.179 108.666 108.800 0.074 0.000 2.295 350 G HA2 -0.134 1.120 3.960 -4.511 0.000 0.287 350 G HA3 -0.134 1.120 3.960 -4.511 0.000 0.287 350 G C -0.085 174.849 174.900 0.057 0.000 1.055 350 G CA 0.447 45.578 45.100 0.051 0.000 0.922 350 G HN 0.973 nan 8.290 nan 0.000 0.503 351 V N 0.367 120.322 119.914 0.069 0.000 2.409 351 V HA 0.429 1.842 4.120 -4.511 0.000 0.291 351 V C -0.039 176.088 176.094 0.054 0.000 1.020 351 V CA -0.831 61.510 62.300 0.068 0.000 0.848 351 V CB 1.895 33.775 31.823 0.094 0.000 0.990 351 V HN 0.388 nan 8.190 nan 0.000 0.430 352 D N 3.496 123.919 120.400 0.038 0.000 2.336 352 D HA 0.179 2.113 4.640 -4.511 0.000 0.249 352 D C 1.068 177.392 176.300 0.041 0.000 1.213 352 D CA -0.200 53.819 54.000 0.031 0.000 0.870 352 D CB 1.855 42.664 40.800 0.015 0.000 1.076 352 D HN 0.368 nan 8.370 nan 0.000 0.483 353 V N 1.890 121.832 119.914 0.048 0.000 2.759 353 V HA -0.091 1.322 4.120 -4.511 0.000 0.256 353 V C 1.829 177.966 176.094 0.071 0.000 1.080 353 V CA 1.706 64.042 62.300 0.061 0.000 1.101 353 V CB -0.930 30.921 31.823 0.047 0.000 0.698 353 V HN 0.584 nan 8.190 nan 0.000 0.477 354 T N -1.340 113.246 114.554 0.053 0.000 3.148 354 T HA 0.126 1.769 4.350 -4.511 0.000 0.253 354 T C 1.471 176.217 174.700 0.075 0.000 1.134 354 T CA 1.148 63.285 62.100 0.061 0.000 1.051 354 T CB -0.162 68.724 68.868 0.030 0.000 0.959 354 T HN 0.660 nan 8.240 nan 0.000 0.525 355 K N -0.567 119.855 120.400 0.037 0.000 2.567 355 K HA 0.235 1.849 4.320 -4.511 0.000 0.199 355 K C -0.052 176.425 176.600 -0.204 0.000 1.412 355 K CA 0.022 56.264 56.287 -0.075 0.000 1.020 355 K CB 0.886 33.348 32.500 -0.063 0.000 1.487 355 K HN 0.136 nan 8.250 nan 0.000 0.531 356 E N 1.656 121.820 120.200 -0.060 0.000 2.227 356 E HA 0.329 1.972 4.350 -4.511 0.000 0.268 356 E C -2.667 173.981 176.600 0.081 0.000 0.907 356 E CA -2.277 54.090 56.400 -0.055 0.000 0.786 356 E CB 1.845 31.519 29.700 -0.043 0.000 1.191 356 E HN -0.002 nan 8.360 nan 0.000 0.411 357 P HA 0.301 nan 4.420 nan 0.000 0.276 357 P C -0.153 177.263 177.300 0.193 0.000 1.244 357 P CA -0.303 62.876 63.100 0.132 0.000 0.801 357 P CB 0.806 32.525 31.700 0.031 0.000 1.006 358 I N 2.111 122.822 120.570 0.235 0.000 2.353 358 I HA 0.264 1.727 4.170 -4.511 0.000 0.293 358 I C -2.179 174.117 176.117 0.299 0.000 0.992 358 I CA -2.838 58.599 61.300 0.229 0.000 1.268 358 I CB 1.036 39.125 38.000 0.149 0.000 1.387 358 I HN 0.075 nan 8.210 nan 0.000 0.478 359 P HA 0.094 nan 4.420 nan 0.000 0.270 359 P C -0.692 176.649 177.300 0.068 0.000 1.242 359 P CA -0.088 63.063 63.100 0.086 0.000 0.768 359 P CB 0.536 32.135 31.700 -0.168 0.000 0.820 360 V N 2.448 122.424 119.914 0.104 0.000 2.864 360 V HA 0.830 2.243 4.120 -4.511 0.000 0.314 360 V C -0.829 175.344 176.094 0.131 0.000 1.073 360 V CA -1.230 61.138 62.300 0.113 0.000 0.956 360 V CB 2.169 34.065 31.823 0.121 0.000 1.023 360 V HN 0.305 nan 8.190 nan 0.000 0.435 361 L N 2.851 124.155 121.223 0.137 0.000 2.513 361 L HA 0.763 2.396 4.340 -4.511 0.000 0.261 361 L C -2.998 173.956 176.870 0.141 0.000 0.945 361 L CA -1.542 53.388 54.840 0.151 0.000 0.848 361 L CB 2.594 44.782 42.059 0.214 0.000 1.334 361 L HN 0.504 nan 8.230 nan 0.000 0.407 362 P HA 0.211 nan 4.420 nan 0.000 0.261 362 P C -1.192 176.266 177.300 0.262 0.000 1.203 362 P CA 0.270 63.475 63.100 0.176 0.000 0.767 362 P CB 0.229 31.996 31.700 0.112 0.000 0.785 363 T N -0.439 114.254 114.554 0.231 0.000 2.906 363 T HA 0.382 2.025 4.350 -4.511 0.000 0.295 363 T C -0.185 174.468 174.700 -0.078 0.000 1.061 363 T CA -0.936 61.247 62.100 0.138 0.000 1.000 363 T CB 0.618 69.515 68.868 0.048 0.000 1.103 363 T HN -0.059 nan 8.240 nan 0.000 0.486 364 V N 2.893 122.556 119.914 -0.418 0.000 2.681 364 V HA 0.104 1.517 4.120 -4.511 0.000 0.306 364 V C 1.066 176.993 176.094 -0.278 0.000 1.077 364 V CA 1.026 62.897 62.300 -0.717 0.000 1.224 364 V CB -0.089 31.241 31.823 -0.822 0.000 0.879 364 V HN 1.179 nan 8.190 nan 0.000 0.494 365 H N 4.002 122.875 119.070 -0.328 0.000 2.286 365 H HA 0.301 2.150 4.556 -4.512 0.000 0.163 365 H C -0.402 174.877 175.328 -0.082 0.000 1.015 365 H CA 0.110 56.083 56.048 -0.124 0.000 1.107 365 H CB 0.393 30.174 29.762 0.031 0.000 1.050 365 H HN 0.539 nan 8.280 nan 0.000 0.360 366 Y N 1.244 121.446 120.300 -0.164 0.000 2.468 366 Y HA 0.418 2.260 4.550 -4.513 0.000 0.342 366 Y C -1.218 174.555 175.900 -0.213 0.000 1.021 366 Y CA -1.037 56.935 58.100 -0.213 0.000 1.079 366 Y CB 1.370 39.799 38.460 -0.051 0.000 1.226 366 Y HN 0.270 nan 8.280 nan 0.000 0.460 367 N N 6.701 124.843 118.700 -0.930 0.000 2.609 367 N HA 0.167 2.200 4.740 -4.511 0.000 0.234 367 N C 0.659 175.817 175.510 -0.586 0.000 1.001 367 N CA -0.424 52.229 53.050 -0.661 0.000 0.926 367 N CB 0.868 38.887 38.487 -0.781 0.000 1.130 367 N HN 0.638 nan 8.380 nan 0.000 0.510 368 M N -0.513 119.071 119.600 -0.026 0.000 2.476 368 M HA 0.133 1.906 4.480 -4.511 0.000 0.262 368 M C 0.970 177.363 176.300 0.155 0.000 1.079 368 M CA 0.430 55.880 55.300 0.251 0.000 1.104 368 M CB -0.826 31.985 32.600 0.352 0.000 1.409 368 M HN 0.294 nan 8.290 nan 0.000 0.467 369 G N 0.330 109.220 108.800 0.151 0.000 2.653 369 G HA2 0.498 1.751 3.960 -4.511 0.000 0.265 369 G HA3 0.498 1.751 3.960 -4.511 0.000 0.265 369 G C 0.178 175.144 174.900 0.110 0.000 1.237 369 G CA 0.218 45.417 45.100 0.164 0.000 0.946 369 G HN 0.653 nan 8.290 nan 0.000 0.522 370 G N -1.507 107.334 108.800 0.068 0.000 2.403 370 G HA2 0.193 1.446 3.960 -4.511 0.000 0.223 370 G HA3 0.193 1.446 3.960 -4.511 0.000 0.223 370 G C -0.991 173.878 174.900 -0.051 0.000 1.287 370 G CA -0.611 44.500 45.100 0.019 0.000 0.982 370 G HN 0.802 nan 8.290 nan 0.000 0.471 371 I N 3.661 124.191 120.570 -0.067 0.000 2.322 371 I HA 0.297 1.760 4.170 -4.511 0.000 0.292 371 I C -1.809 174.238 176.117 -0.116 0.000 1.060 371 I CA -1.689 59.554 61.300 -0.095 0.000 1.309 371 I CB 1.443 39.392 38.000 -0.084 0.000 1.415 371 I HN 0.150 nan 8.210 nan 0.000 0.492 372 P HA 0.024 nan 4.420 nan 0.000 0.264 372 P C -0.319 176.893 177.300 -0.146 0.000 1.183 372 P CA 0.231 63.236 63.100 -0.158 0.000 0.763 372 P CB 0.791 32.398 31.700 -0.154 0.000 0.807 373 T N 1.963 116.422 114.554 -0.159 0.000 2.932 373 T HA 0.207 1.850 4.350 -4.511 0.000 0.318 373 T C -0.102 174.518 174.700 -0.134 0.000 1.265 373 T CA -0.610 61.397 62.100 -0.156 0.000 1.036 373 T CB 1.202 69.968 68.868 -0.170 0.000 1.209 373 T HN 0.289 nan 8.240 nan 0.000 0.484 374 N N 0.141 118.762 118.700 -0.131 0.000 2.297 374 N HA 0.118 2.151 4.740 -4.511 0.000 0.232 374 N C 1.011 176.481 175.510 -0.066 0.000 1.311 374 N CA -0.005 52.984 53.050 -0.101 0.000 0.897 374 N CB 0.413 38.778 38.487 -0.204 0.000 1.137 374 N HN 0.791 nan 8.380 nan 0.000 0.449 375 Y N -0.619 119.654 120.300 -0.044 0.000 2.574 375 Y HA 0.080 1.922 4.550 -4.512 0.000 0.294 375 Y C 1.177 177.039 175.900 -0.063 0.000 1.142 375 Y CA 0.778 58.885 58.100 0.011 0.000 1.314 375 Y CB -0.001 38.453 38.460 -0.010 0.000 0.991 375 Y HN 0.324 nan 8.280 nan 0.000 0.555 376 K N 0.241 120.277 120.400 -0.606 0.000 2.393 376 K HA 0.274 1.888 4.320 -4.511 0.000 0.193 376 K C 1.240 177.788 176.600 -0.086 0.000 1.026 376 K CA 0.525 56.528 56.287 -0.475 0.000 1.064 376 K CB 0.251 32.419 32.500 -0.552 0.000 0.833 376 K HN 0.574 nan 8.250 nan 0.000 0.521 377 G N 1.661 110.439 108.800 -0.036 0.000 2.159 377 G HA2 -0.247 1.006 3.960 -4.511 0.000 0.227 377 G HA3 -0.247 1.006 3.960 -4.511 0.000 0.227 377 G C -0.353 174.541 174.900 -0.010 0.000 0.986 377 G CA -0.358 44.785 45.100 0.072 0.000 0.651 377 G HN 0.300 nan 8.290 nan 0.000 0.523 378 Q N 0.429 120.088 119.800 -0.234 0.000 2.279 378 Q HA 0.521 2.154 4.340 -4.511 0.000 0.256 378 Q C 0.456 176.261 176.000 -0.325 0.000 0.937 378 Q CA -0.593 54.896 55.803 -0.523 0.000 0.933 378 Q CB 2.343 30.782 28.738 -0.499 0.000 1.189 378 Q HN 0.167 nan 8.270 nan 0.000 0.417 379 V N 4.702 124.423 119.914 -0.322 0.000 2.585 379 V HA 0.025 1.438 4.120 -4.511 0.000 0.296 379 V C 0.197 176.194 176.094 -0.163 0.000 1.035 379 V CA 0.237 62.419 62.300 -0.196 0.000 1.084 379 V CB 0.067 31.796 31.823 -0.157 0.000 0.953 379 V HN 0.583 nan 8.190 nan 0.000 0.483 380 L N 6.632 127.785 121.223 -0.117 0.000 2.295 380 L HA 0.617 2.250 4.340 -4.511 0.000 0.285 380 L C 0.460 177.311 176.870 -0.032 0.000 1.035 380 L CA -0.600 54.198 54.840 -0.071 0.000 0.806 380 L CB 1.340 43.371 42.059 -0.047 0.000 1.214 380 L HN 0.750 nan 8.230 nan 0.000 0.426 381 R N 0.319 120.818 120.500 -0.001 0.000 2.607 381 R HA 0.516 2.149 4.340 -4.511 0.000 0.261 381 R C -0.868 175.507 176.300 0.126 0.000 1.051 381 R CA -0.832 55.303 56.100 0.058 0.000 1.110 381 R CB 1.035 31.360 30.300 0.043 0.000 1.158 381 R HN 0.479 nan 8.270 nan 0.000 0.543 382 H N 0.528 119.636 119.070 0.063 0.000 2.792 382 H HA 0.414 2.266 4.556 -4.506 0.000 0.298 382 H C -1.616 173.741 175.328 0.048 0.000 1.042 382 H CA -0.513 55.572 56.048 0.061 0.000 1.300 382 H CB 1.207 31.027 29.762 0.097 0.000 1.431 382 H HN 0.374 nan 8.280 nan 0.000 0.496 383 V N 5.944 125.719 119.914 -0.233 0.000 2.487 383 V HA 0.192 1.605 4.120 -4.511 0.000 0.298 383 V C 0.638 176.579 176.094 -0.254 0.000 1.028 383 V CA -0.852 61.338 62.300 -0.182 0.000 0.860 383 V CB 1.412 33.176 31.823 -0.098 0.000 0.991 383 V HN 1.138 nan 8.190 nan 0.000 0.427 384 N N 3.601 122.184 118.700 -0.196 0.000 2.735 384 N HA -0.219 1.814 4.740 -4.511 0.000 0.248 384 N C 1.053 176.437 175.510 -0.210 0.000 1.083 384 N CA 0.690 53.645 53.050 -0.159 0.000 0.703 384 N CB -0.585 37.834 38.487 -0.113 0.000 1.005 384 N HN 1.521 nan 8.380 nan 0.000 0.550 385 G N -0.809 107.796 108.800 -0.326 0.000 2.175 385 G HA2 -0.340 0.914 3.960 -4.511 0.000 0.265 385 G HA3 -0.340 0.914 3.960 -4.511 0.000 0.265 385 G C -0.118 174.578 174.900 -0.340 0.000 0.979 385 G CA 1.101 46.043 45.100 -0.263 0.000 0.663 385 G HN 0.630 nan 8.290 nan 0.000 0.533 386 Q N -0.103 119.415 119.800 -0.470 0.000 2.387 386 Q HA 0.523 2.156 4.340 -4.511 0.000 0.273 386 Q C -1.021 174.858 176.000 -0.202 0.000 1.089 386 Q CA -1.064 54.605 55.803 -0.224 0.000 0.824 386 Q CB 1.427 30.083 28.738 -0.137 0.000 1.367 386 Q HN 0.195 nan 8.270 nan 0.000 0.443 387 D N 1.836 122.233 120.400 -0.005 0.000 2.341 387 D HA 0.133 2.066 4.640 -4.511 0.000 0.245 387 D C -0.774 175.521 176.300 -0.008 0.000 1.106 387 D CA 0.261 54.293 54.000 0.053 0.000 0.905 387 D CB 0.921 41.768 40.800 0.079 0.000 1.202 387 D HN 0.277 nan 8.370 nan 0.000 0.426 388 Q N 0.877 120.673 119.800 -0.007 0.000 2.284 388 Q HA 0.361 1.994 4.340 -4.511 0.000 0.269 388 Q C -1.664 174.310 176.000 -0.043 0.000 1.026 388 Q CA -0.734 55.050 55.803 -0.031 0.000 0.831 388 Q CB 1.776 30.491 28.738 -0.039 0.000 1.322 388 Q HN 0.186 nan 8.270 nan 0.000 0.419 389 V N 3.565 123.441 119.914 -0.065 0.000 2.555 389 V HA 0.155 1.569 4.120 -4.511 0.000 0.286 389 V C 0.068 176.101 176.094 -0.102 0.000 1.044 389 V CA -0.383 61.855 62.300 -0.104 0.000 1.026 389 V CB 1.256 33.002 31.823 -0.127 0.000 0.981 389 V HN 0.586 nan 8.190 nan 0.000 0.480 390 V N 8.323 128.163 119.914 -0.123 0.000 2.439 390 V HA 0.173 1.586 4.120 -4.511 0.000 0.271 390 V C -2.055 173.961 176.094 -0.130 0.000 1.040 390 V CA -1.453 60.784 62.300 -0.106 0.000 1.002 390 V CB 0.784 32.548 31.823 -0.098 0.000 1.000 390 V HN 0.793 nan 8.190 nan 0.000 0.477 391 P HA 0.238 nan 4.420 nan 0.000 0.266 391 P C 0.873 178.144 177.300 -0.048 0.000 1.215 391 P CA 0.879 63.939 63.100 -0.067 0.000 0.763 391 P CB 0.650 32.328 31.700 -0.036 0.000 0.806 392 G N 2.060 110.843 108.800 -0.027 0.000 2.160 392 G HA2 -0.223 1.031 3.960 -4.511 0.000 0.251 392 G HA3 -0.223 1.031 3.960 -4.511 0.000 0.251 392 G C -0.462 174.467 174.900 0.048 0.000 1.008 392 G CA -0.200 44.930 45.100 0.051 0.000 0.724 392 G HN 0.563 nan 8.290 nan 0.000 0.514 393 L N 0.061 121.245 121.223 -0.064 0.000 2.406 393 L HA 0.859 2.493 4.340 -4.511 0.000 0.272 393 L C -0.838 175.910 176.870 -0.203 0.000 0.980 393 L CA -1.695 53.109 54.840 -0.059 0.000 0.831 393 L CB 1.194 43.204 42.059 -0.083 0.000 1.253 393 L HN 0.114 nan 8.230 nan 0.000 0.406 394 Y N 3.030 123.276 120.300 -0.089 0.000 2.602 394 Y HA 0.905 2.749 4.550 -4.510 0.000 0.342 394 Y C -0.015 175.833 175.900 -0.087 0.000 1.029 394 Y CA -0.519 57.525 58.100 -0.094 0.000 1.080 394 Y CB 2.411 40.808 38.460 -0.106 0.000 1.284 394 Y HN 0.700 nan 8.280 nan 0.000 0.485 395 A N 0.757 123.623 122.820 0.076 0.000 2.517 395 A HA 0.800 2.413 4.320 -4.511 0.000 0.297 395 A C -1.360 176.233 177.584 0.016 0.000 1.050 395 A CA -0.643 51.403 52.037 0.015 0.000 0.694 395 A CB 0.430 19.409 19.000 -0.036 0.000 1.277 395 A HN 1.130 nan 8.150 nan 0.000 0.400 396 C N 0.030 119.343 119.300 0.023 0.000 3.086 396 C HA 1.038 2.791 4.460 -4.511 0.000 0.311 396 C C 0.678 175.706 174.990 0.063 0.000 1.260 396 C CA 0.092 59.143 59.018 0.055 0.000 1.426 396 C CB 0.937 28.744 27.740 0.113 0.000 1.826 396 C HN 3.046 nan 8.230 nan 0.000 0.474 397 G N 1.186 110.050 108.800 0.108 0.000 2.545 397 G HA2 -0.134 1.119 3.960 -4.511 0.000 0.216 397 G HA3 -0.134 1.119 3.960 -4.511 0.000 0.216 397 G C 0.373 175.347 174.900 0.123 0.000 1.314 397 G CA 0.594 45.776 45.100 0.138 0.000 0.906 397 G HN 1.252 nan 8.290 nan 0.000 0.563 398 E N -0.051 120.210 120.200 0.101 0.000 2.204 398 E HA 0.019 1.663 4.350 -4.511 0.000 0.195 398 E C 2.793 179.349 176.600 -0.073 0.000 0.990 398 E CA 1.831 58.213 56.400 -0.030 0.000 0.821 398 E CB -0.353 29.258 29.700 -0.148 0.000 0.750 398 E HN 0.942 nan 8.360 nan 0.000 0.477 399 A N 1.103 123.909 122.820 -0.024 0.000 1.933 399 A HA 0.076 1.689 4.320 -4.511 0.000 0.218 399 A C 1.415 178.987 177.584 -0.020 0.000 1.175 399 A CA 1.119 53.146 52.037 -0.016 0.000 0.628 399 A CB -0.430 18.559 19.000 -0.018 0.000 0.814 399 A HN 0.353 nan 8.150 nan 0.000 0.444 400 A N -1.862 120.945 122.820 -0.022 0.000 2.259 400 A HA 0.450 2.063 4.320 -4.511 0.000 0.278 400 A C 0.177 177.730 177.584 -0.052 0.000 1.107 400 A CA 0.364 52.370 52.037 -0.053 0.000 0.828 400 A CB 0.207 19.160 19.000 -0.079 0.000 1.111 400 A HN 0.980 nan 8.150 nan 0.000 0.498 401 C N 0.473 119.714 119.300 -0.099 0.000 3.452 401 C HA 0.583 2.337 4.460 -4.511 0.000 0.251 401 C C 1.207 176.084 174.990 -0.188 0.000 1.160 401 C CA -0.104 58.851 59.018 -0.106 0.000 1.328 401 C CB -0.782 26.907 27.740 -0.085 0.000 1.819 401 C HN 1.052 nan 8.230 nan 0.000 0.543 402 A N 2.483 125.150 122.820 -0.254 0.000 2.209 402 A HA 0.208 1.822 4.320 -4.511 0.000 0.212 402 A C 1.390 178.847 177.584 -0.211 0.000 1.158 402 A CA 1.108 52.971 52.037 -0.291 0.000 0.742 402 A CB -0.553 18.124 19.000 -0.539 0.000 0.790 402 A HN 2.227 nan 8.150 nan 0.000 0.472 403 S N -2.058 113.539 115.700 -0.173 0.000 3.524 403 S HA -0.168 1.596 4.470 -4.511 0.000 0.377 403 S C 0.549 175.090 174.600 -0.098 0.000 0.949 403 S CA 0.547 58.698 58.200 -0.082 0.000 1.264 403 S CB -2.434 60.755 63.200 -0.019 0.000 0.918 403 S HN 1.127 nan 8.310 nan 0.000 0.517 404 V N 0.847 120.618 119.914 -0.239 0.000 3.217 404 V HA -0.033 1.381 4.120 -4.511 0.000 0.264 404 V C 1.941 177.813 176.094 -0.370 0.000 1.135 404 V CA 1.652 63.782 62.300 -0.282 0.000 1.142 404 V CB -0.414 31.240 31.823 -0.281 0.000 0.754 404 V HN 0.907 nan 8.190 nan 0.000 0.484 405 H N -0.992 118.082 119.070 0.007 0.000 2.729 405 H HA 0.371 2.220 4.556 -4.513 0.000 0.263 405 H C 1.661 176.964 175.328 -0.042 0.000 0.961 405 H CA 0.679 56.721 56.048 -0.011 0.000 1.217 405 H CB 0.351 30.139 29.762 0.042 0.000 1.447 405 H HN 0.441 nan 8.280 nan 0.000 0.496 406 G N 1.522 110.349 108.800 0.046 0.000 2.629 406 G HA2 -0.433 0.821 3.960 -4.511 0.000 0.313 406 G HA3 -0.433 0.821 3.960 -4.511 0.000 0.313 406 G C 1.427 176.209 174.900 -0.196 0.000 1.217 406 G CA 1.671 46.736 45.100 -0.058 0.000 0.994 406 G HN 0.585 nan 8.290 nan 0.000 0.549 407 A N 0.150 122.818 122.820 -0.254 0.000 2.072 407 A HA 0.375 1.988 4.320 -4.511 0.000 0.216 407 A C 1.079 178.706 177.584 0.072 0.000 1.156 407 A CA 1.875 53.734 52.037 -0.296 0.000 0.701 407 A CB -0.146 18.788 19.000 -0.111 0.000 0.816 407 A HN 1.290 nan 8.150 nan 0.000 0.458 408 N N -0.444 118.285 118.700 0.049 0.000 2.537 408 N HA 0.137 2.170 4.740 -4.511 0.000 0.281 408 N C -1.327 174.208 175.510 0.041 0.000 1.097 408 N CA -0.491 52.606 53.050 0.078 0.000 0.964 408 N CB 1.293 39.818 38.487 0.063 0.000 1.588 408 N HN 0.284 nan 8.380 nan 0.000 0.511 409 R N 3.292 123.804 120.500 0.020 0.000 2.390 409 R HA 0.281 1.915 4.340 -4.511 0.000 0.291 409 R C -0.475 175.780 176.300 -0.075 0.000 1.070 409 R CA -0.406 55.648 56.100 -0.078 0.000 1.014 409 R CB 0.638 30.661 30.300 -0.463 0.000 1.007 409 R HN 0.419 nan 8.270 nan 0.000 0.466 410 L N 3.013 124.229 121.223 -0.012 0.000 2.397 410 L HA 0.250 1.884 4.340 -4.511 0.000 0.271 410 L C 0.781 177.671 176.870 0.032 0.000 1.148 410 L CA 0.721 55.567 54.840 0.011 0.000 0.825 410 L CB 1.240 43.345 42.059 0.076 0.000 1.117 410 L HN 0.815 nan 8.230 nan 0.000 0.456 411 G N 2.858 111.723 108.800 0.108 0.000 2.353 411 G HA2 0.378 1.632 3.960 -4.511 0.000 0.239 411 G HA3 0.378 1.632 3.960 -4.511 0.000 0.239 411 G C 0.658 175.714 174.900 0.260 0.000 1.295 411 G CA 0.239 45.526 45.100 0.311 0.000 0.884 411 G HN 1.434 nan 8.290 nan 0.000 0.537 412 A N 1.678 124.554 122.820 0.095 0.000 2.952 412 A HA -0.189 1.424 4.320 -4.511 0.000 0.252 412 A C 1.556 179.126 177.584 -0.023 0.000 1.323 412 A CA 1.372 53.318 52.037 -0.151 0.000 0.957 412 A CB -1.806 16.812 19.000 -0.635 0.000 1.130 412 A HN 0.662 nan 8.150 nan 0.000 0.799 413 N N -1.016 117.713 118.700 0.048 0.000 2.322 413 N HA 0.142 2.175 4.740 -4.511 0.000 0.181 413 N C 1.652 177.279 175.510 0.195 0.000 1.088 413 N CA 1.146 54.291 53.050 0.158 0.000 0.885 413 N CB 0.194 38.827 38.487 0.242 0.000 1.013 413 N HN 0.541 nan 8.380 nan 0.000 0.472 414 S N 0.118 115.837 115.700 0.032 0.000 2.377 414 S HA 0.142 1.905 4.470 -4.511 0.000 0.223 414 S C 1.760 176.461 174.600 0.168 0.000 1.030 414 S CA 0.517 58.765 58.200 0.080 0.000 0.970 414 S CB -0.141 63.011 63.200 -0.080 0.000 0.830 414 S HN 0.218 nan 8.310 nan 0.000 0.473 415 L N 0.942 122.237 121.223 0.121 0.000 2.127 415 L HA -0.119 1.514 4.340 -4.511 0.000 0.211 415 L C 2.393 179.347 176.870 0.141 0.000 1.089 415 L CA 0.839 55.754 54.840 0.124 0.000 0.757 415 L CB -0.478 41.636 42.059 0.092 0.000 0.899 415 L HN 0.363 nan 8.230 nan 0.000 0.434 416 L N 0.377 121.688 121.223 0.147 0.000 2.023 416 L HA -0.207 1.426 4.340 -4.511 0.000 0.205 416 L C 2.161 179.146 176.870 0.192 0.000 1.073 416 L CA 2.026 56.955 54.840 0.149 0.000 0.745 416 L CB -0.573 41.582 42.059 0.160 0.000 0.900 416 L HN 0.217 nan 8.230 nan 0.000 0.435 417 D N -0.748 119.824 120.400 0.287 0.000 2.172 417 D HA -0.257 1.676 4.640 -4.511 0.000 0.196 417 D C 2.009 178.557 176.300 0.413 0.000 0.999 417 D CA 1.687 55.948 54.000 0.436 0.000 0.856 417 D CB -0.074 41.032 40.800 0.509 0.000 0.934 417 D HN 0.249 nan 8.370 nan 0.000 0.453 418 L N -0.120 121.270 121.223 0.278 0.000 1.976 418 L HA -0.100 1.534 4.340 -4.511 0.000 0.209 418 L C 2.750 179.720 176.870 0.167 0.000 1.071 418 L CA 1.070 56.038 54.840 0.213 0.000 0.746 418 L CB -1.011 41.150 42.059 0.169 0.000 0.890 418 L HN 0.050 nan 8.230 nan 0.000 0.432 419 V N -1.369 118.625 119.914 0.134 0.000 2.427 419 V HA -0.221 1.193 4.120 -4.511 0.000 0.248 419 V C 2.372 178.485 176.094 0.031 0.000 1.051 419 V CA 1.205 63.560 62.300 0.091 0.000 1.048 419 V CB -0.299 31.585 31.823 0.102 0.000 0.666 419 V HN 0.237 nan 8.190 nan 0.000 0.456 420 V N -0.899 119.010 119.914 -0.008 0.000 2.283 420 V HA -0.158 1.256 4.120 -4.511 0.000 0.243 420 V C 2.036 178.019 176.094 -0.185 0.000 1.039 420 V CA 2.053 64.243 62.300 -0.182 0.000 1.016 420 V CB -0.611 30.985 31.823 -0.379 0.000 0.650 420 V HN 0.488 nan 8.190 nan 0.000 0.449 421 F N 0.787 120.806 119.950 0.116 0.000 2.743 421 F HA 0.205 2.027 4.527 -4.508 0.000 0.297 421 F C 2.231 178.046 175.800 0.024 0.000 1.131 421 F CA 0.771 58.825 58.000 0.091 0.000 1.426 421 F CB -0.641 38.408 39.000 0.083 0.000 1.116 421 F HN 0.181 nan 8.300 nan 0.000 0.583 422 G N 0.236 109.116 108.800 0.134 0.000 2.404 422 G HA2 -0.233 1.020 3.960 -4.511 0.000 0.215 422 G HA3 -0.233 1.020 3.960 -4.511 0.000 0.215 422 G C 1.746 176.604 174.900 -0.069 0.000 1.174 422 G CA 0.480 45.588 45.100 0.012 0.000 0.780 422 G HN 0.231 nan 8.290 nan 0.000 0.537 423 R N 0.550 121.013 120.500 -0.061 0.000 2.081 423 R HA 0.016 1.649 4.340 -4.511 0.000 0.235 423 R C 2.813 179.078 176.300 -0.058 0.000 1.131 423 R CA 1.502 57.550 56.100 -0.086 0.000 0.960 423 R CB -0.378 29.889 30.300 -0.055 0.000 0.856 423 R HN 0.280 nan 8.270 nan 0.000 0.436 424 A N 0.292 123.115 122.820 0.005 0.000 1.933 424 A HA -0.170 1.443 4.320 -4.511 0.000 0.218 424 A C 2.454 180.006 177.584 -0.054 0.000 1.175 424 A CA 1.528 53.575 52.037 0.016 0.000 0.628 424 A CB -0.884 18.149 19.000 0.055 0.000 0.814 424 A HN 0.587 nan 8.150 nan 0.000 0.444 425 C N -1.095 118.169 119.300 -0.060 0.000 2.429 425 C HA 0.039 1.793 4.460 -4.511 0.000 0.277 425 C C 3.319 178.065 174.990 -0.408 0.000 1.262 425 C CA 0.837 59.729 59.018 -0.210 0.000 1.733 425 C CB -1.293 26.349 27.740 -0.164 0.000 2.010 425 C HN 0.705 nan 8.230 nan 0.000 0.483 426 A N -0.002 122.634 122.820 -0.307 0.000 1.930 426 A HA -0.073 1.541 4.320 -4.511 0.000 0.217 426 A C 2.089 179.505 177.584 -0.280 0.000 1.175 426 A CA 1.382 53.217 52.037 -0.338 0.000 0.627 426 A CB -0.508 18.324 19.000 -0.279 0.000 0.815 426 A HN 0.618 nan 8.150 nan 0.000 0.443 427 L N -0.686 120.429 121.223 -0.179 0.000 2.109 427 L HA -0.099 1.534 4.340 -4.511 0.000 0.207 427 L C 2.772 179.573 176.870 -0.115 0.000 1.086 427 L CA 1.268 56.044 54.840 -0.107 0.000 0.760 427 L CB -0.315 41.719 42.059 -0.042 0.000 0.910 427 L HN 0.297 nan 8.230 nan 0.000 0.437 428 S N 0.051 115.665 115.700 -0.143 0.000 2.402 428 S HA -0.090 1.674 4.470 -4.511 0.000 0.229 428 S C 1.928 176.456 174.600 -0.120 0.000 1.021 428 S CA 1.133 59.281 58.200 -0.087 0.000 0.974 428 S CB -0.190 63.032 63.200 0.037 0.000 0.800 428 S HN 0.282 nan 8.310 nan 0.000 0.484 429 I N 1.644 122.012 120.570 -0.336 0.000 2.233 429 I HA -0.115 1.348 4.170 -4.511 0.000 0.243 429 I C 2.632 178.591 176.117 -0.264 0.000 1.093 429 I CA 1.020 62.079 61.300 -0.402 0.000 1.380 429 I CB -0.467 37.089 38.000 -0.739 0.000 1.067 429 I HN 0.242 nan 8.210 nan 0.000 0.413 430 A N 0.112 122.793 122.820 -0.231 0.000 2.125 430 A HA -0.186 1.428 4.320 -4.511 0.000 0.219 430 A C 2.040 179.694 177.584 0.116 0.000 1.156 430 A CA 1.636 53.729 52.037 0.094 0.000 0.671 430 A CB -0.483 18.579 19.000 0.102 0.000 0.794 430 A HN 0.513 nan 8.150 nan 0.000 0.459 431 E N -0.953 119.268 120.200 0.034 0.000 2.473 431 E HA -0.004 1.639 4.350 -4.511 0.000 0.204 431 E C 1.802 178.427 176.600 0.042 0.000 0.994 431 E CA 0.605 57.028 56.400 0.039 0.000 0.945 431 E CB 0.339 30.048 29.700 0.015 0.000 0.990 431 E HN 0.720 nan 8.360 nan 0.000 0.493 432 S N -0.544 115.181 115.700 0.043 0.000 2.497 432 S HA 0.085 1.849 4.470 -4.511 0.000 0.218 432 S C 0.880 175.523 174.600 0.071 0.000 1.023 432 S CA -0.177 58.051 58.200 0.048 0.000 0.913 432 S CB -0.100 63.129 63.200 0.047 0.000 0.800 432 S HN 0.337 nan 8.310 nan 0.000 0.505 433 C N 0.098 119.467 119.300 0.115 0.000 3.323 433 C HA 0.854 2.607 4.460 -4.511 0.000 0.324 433 C C -1.034 174.109 174.990 0.255 0.000 1.428 433 C CA -1.134 57.977 59.018 0.156 0.000 1.368 433 C CB 1.244 29.075 27.740 0.152 0.000 1.731 433 C HN 0.265 nan 8.230 nan 0.000 0.455 434 R N 0.659 121.251 120.500 0.153 0.000 2.778 434 R HA 0.657 2.290 4.340 -4.511 0.000 0.277 434 R C -2.954 173.233 176.300 -0.187 0.000 0.977 434 R CA -1.909 54.182 56.100 -0.014 0.000 0.950 434 R CB 1.541 31.812 30.300 -0.048 0.000 1.165 434 R HN 0.550 nan 8.270 nan 0.000 0.474 435 P HA 0.103 nan 4.420 nan 0.000 0.268 435 P C 0.551 177.713 177.300 -0.230 0.000 1.204 435 P CA 0.599 63.323 63.100 -0.627 0.000 0.768 435 P CB 0.556 31.756 31.700 -0.832 0.000 0.842 436 G N 1.575 110.314 108.800 -0.101 0.000 2.175 436 G HA2 -0.189 1.064 3.960 -4.511 0.000 0.244 436 G HA3 -0.189 1.064 3.960 -4.511 0.000 0.244 436 G C 0.003 174.892 174.900 -0.019 0.000 0.982 436 G CA -0.336 44.734 45.100 -0.051 0.000 0.641 436 G HN 0.484 nan 8.290 nan 0.000 0.527 437 D N 0.504 120.906 120.400 0.003 0.000 2.368 437 D HA 0.326 2.259 4.640 -4.511 0.000 0.240 437 D C 0.881 177.200 176.300 0.031 0.000 1.169 437 D CA -0.009 54.005 54.000 0.024 0.000 0.906 437 D CB 0.505 41.336 40.800 0.052 0.000 1.187 437 D HN 0.306 nan 8.370 nan 0.000 0.435 438 K N 1.142 121.557 120.400 0.024 0.000 2.437 438 K HA 0.013 1.627 4.320 -4.511 0.000 0.277 438 K C -0.958 175.661 176.600 0.032 0.000 1.073 438 K CA -0.159 56.141 56.287 0.022 0.000 1.105 438 K CB 0.084 32.594 32.500 0.016 0.000 0.881 438 K HN 0.138 nan 8.250 nan 0.000 0.475 439 V N 8.162 128.095 119.914 0.031 0.000 2.439 439 V HA 0.104 1.517 4.120 -4.511 0.000 0.271 439 V C -1.921 174.190 176.094 0.028 0.000 1.040 439 V CA -1.548 60.775 62.300 0.038 0.000 1.002 439 V CB 0.571 32.418 31.823 0.040 0.000 1.000 439 V HN 0.799 nan 8.190 nan 0.000 0.477 440 P HA 0.151 nan 4.420 nan 0.000 0.271 440 P C -0.249 177.061 177.300 0.017 0.000 1.216 440 P CA -0.131 62.981 63.100 0.020 0.000 0.776 440 P CB 0.420 32.132 31.700 0.019 0.000 0.881 441 S N 2.884 118.591 115.700 0.012 0.000 2.474 441 S HA 0.343 2.107 4.470 -4.511 0.000 0.276 441 S C 0.121 174.726 174.600 0.008 0.000 1.227 441 S CA -0.660 57.545 58.200 0.009 0.000 1.050 441 S CB -0.124 63.080 63.200 0.006 0.000 0.939 441 S HN 0.319 nan 8.310 nan 0.000 0.490 442 I N 2.510 123.087 120.570 0.010 0.000 2.662 442 I HA 0.299 1.762 4.170 -4.511 0.000 0.291 442 I C 0.366 176.487 176.117 0.005 0.000 1.046 442 I CA -0.533 60.772 61.300 0.009 0.000 1.361 442 I CB 0.803 38.810 38.000 0.013 0.000 1.429 442 I HN 0.679 nan 8.210 nan 0.000 0.558 443 K N 6.902 127.304 120.400 0.003 0.000 2.355 443 K HA 0.118 1.731 4.320 -4.511 0.000 0.270 443 K C -1.750 174.851 176.600 0.002 0.000 1.003 443 K CA -0.881 55.407 56.287 0.001 0.000 0.957 443 K CB -0.030 32.470 32.500 -0.000 0.000 0.939 443 K HN 0.414 nan 8.250 nan 0.000 0.482 444 P HA -0.107 nan 4.420 nan 0.000 0.222 444 P C -0.108 177.193 177.300 0.002 0.000 1.147 444 P CA 1.147 64.248 63.100 0.001 0.000 0.790 444 P CB 0.277 31.978 31.700 0.001 0.000 0.780 445 N N -0.938 117.762 118.700 0.001 0.000 2.214 445 N HA 0.186 2.219 4.740 -4.511 0.000 0.214 445 N C 0.232 175.740 175.510 -0.002 0.000 1.132 445 N CA -0.083 52.967 53.050 -0.000 0.000 0.856 445 N CB 0.415 38.901 38.487 -0.001 0.000 1.020 445 N HN 0.031 nan 8.380 nan 0.000 0.509 446 A N 0.094 122.914 122.820 -0.001 0.000 2.409 446 A HA 0.557 2.170 4.320 -4.511 0.000 0.262 446 A C 1.328 178.911 177.584 -0.003 0.000 1.113 446 A CA 0.443 52.479 52.037 -0.002 0.000 0.790 446 A CB 0.006 19.007 19.000 0.001 0.000 1.046 446 A HN 0.361 nan 8.150 nan 0.000 0.496 447 G N 1.533 110.329 108.800 -0.006 0.000 2.141 447 G HA2 -0.241 1.013 3.960 -4.511 0.000 0.242 447 G HA3 -0.241 1.013 3.960 -4.511 0.000 0.242 447 G C 0.654 175.542 174.900 -0.020 0.000 0.982 447 G CA 0.712 45.806 45.100 -0.010 0.000 0.662 447 G HN 0.871 nan 8.290 nan 0.000 0.527 448 E N -0.200 119.989 120.200 -0.018 0.000 2.106 448 E HA -0.103 1.540 4.350 -4.511 0.000 0.192 448 E C 2.199 178.780 176.600 -0.030 0.000 0.984 448 E CA 1.159 57.545 56.400 -0.023 0.000 0.806 448 E CB -0.025 29.667 29.700 -0.013 0.000 0.750 448 E HN 0.524 nan 8.360 nan 0.000 0.458 449 E N 0.149 120.336 120.200 -0.022 0.000 2.110 449 E HA -0.133 1.510 4.350 -4.511 0.000 0.193 449 E C 2.171 178.754 176.600 -0.028 0.000 0.988 449 E CA 0.986 57.374 56.400 -0.020 0.000 0.804 449 E CB -0.080 29.613 29.700 -0.011 0.000 0.745 449 E HN 0.164 nan 8.360 nan 0.000 0.458 450 S N 0.490 116.172 115.700 -0.030 0.000 2.371 450 S HA -0.076 1.688 4.470 -4.511 0.000 0.224 450 S C 2.308 176.864 174.600 -0.072 0.000 1.029 450 S CA 0.854 59.035 58.200 -0.032 0.000 0.978 450 S CB -0.165 63.025 63.200 -0.017 0.000 0.833 450 S HN 0.047 nan 8.310 nan 0.000 0.466 451 V N 2.231 122.080 119.914 -0.109 0.000 2.358 451 V HA -0.154 1.259 4.120 -4.511 0.000 0.246 451 V C 2.276 178.246 176.094 -0.207 0.000 1.047 451 V CA 1.621 63.787 62.300 -0.223 0.000 1.035 451 V CB -0.676 31.007 31.823 -0.234 0.000 0.658 451 V HN 0.449 nan 8.190 nan 0.000 0.452 452 M N 0.095 119.633 119.600 -0.103 0.000 2.117 452 M HA -0.184 1.589 4.480 -4.511 0.000 0.262 452 M C 2.295 178.573 176.300 -0.035 0.000 1.065 452 M CA 1.842 57.112 55.300 -0.050 0.000 1.114 452 M CB -0.674 31.910 32.600 -0.025 0.000 1.361 452 M HN 0.482 nan 8.290 nan 0.000 0.408 453 N N 0.966 119.641 118.700 -0.041 0.000 2.084 453 N HA -0.181 1.852 4.740 -4.511 0.000 0.190 453 N C 1.830 177.319 175.510 -0.036 0.000 1.030 453 N CA 1.091 54.124 53.050 -0.030 0.000 0.849 453 N CB -0.046 38.428 38.487 -0.021 0.000 1.012 453 N HN 0.269 nan 8.380 nan 0.000 0.423 454 L N 1.837 123.018 121.223 -0.070 0.000 2.012 454 L HA -0.205 1.429 4.340 -4.511 0.000 0.210 454 L C 1.909 178.758 176.870 -0.036 0.000 1.073 454 L CA 2.108 56.896 54.840 -0.087 0.000 0.748 454 L CB -1.490 40.469 42.059 -0.168 0.000 0.891 454 L HN 0.189 nan 8.230 nan 0.000 0.431 455 D N -0.435 119.955 120.400 -0.016 0.000 2.144 455 D HA -0.231 1.702 4.640 -4.511 0.000 0.200 455 D C 2.171 178.612 176.300 0.235 0.000 0.978 455 D CA 1.144 55.263 54.000 0.198 0.000 0.833 455 D CB 0.166 41.111 40.800 0.241 0.000 0.961 455 D HN 0.126 nan 8.370 nan 0.000 0.470 456 K N -0.643 119.823 120.400 0.110 0.000 2.097 456 K HA -0.036 1.577 4.320 -4.511 0.000 0.206 456 K C 1.730 178.371 176.600 0.069 0.000 1.049 456 K CA 0.752 57.091 56.287 0.087 0.000 0.933 456 K CB -0.179 32.336 32.500 0.025 0.000 0.717 456 K HN 0.103 nan 8.250 nan 0.000 0.442 457 L N 0.219 121.457 121.223 0.024 0.000 2.341 457 L HA 0.135 1.768 4.340 -4.511 0.000 0.214 457 L C 2.171 179.014 176.870 -0.045 0.000 1.115 457 L CA 1.158 55.988 54.840 -0.017 0.000 0.820 457 L CB -0.366 41.668 42.059 -0.042 0.000 0.944 457 L HN 0.121 nan 8.230 nan 0.000 0.452 458 R N -1.230 119.237 120.500 -0.055 0.000 2.115 458 R HA -0.073 1.561 4.340 -4.511 0.000 0.226 458 R C 1.232 177.293 176.300 -0.398 0.000 1.100 458 R CA 1.296 57.256 56.100 -0.234 0.000 0.980 458 R CB 0.004 30.136 30.300 -0.280 0.000 0.875 458 R HN 0.259 nan 8.270 nan 0.000 0.445 459 F N 0.192 120.136 119.950 -0.010 0.000 2.653 459 F HA 0.399 2.219 4.527 -4.511 0.000 0.304 459 F C 0.483 176.247 175.800 -0.060 0.000 1.092 459 F CA -0.499 57.482 58.000 -0.031 0.000 1.279 459 F CB 0.578 39.567 39.000 -0.017 0.000 1.044 459 F HN -0.046 nan 8.300 nan 0.000 0.564 460 A N 1.872 124.723 122.820 0.053 0.000 2.507 460 A HA -0.088 1.526 4.320 -4.511 0.000 0.281 460 A C 0.447 177.997 177.584 -0.057 0.000 1.154 460 A CA 0.297 52.333 52.037 -0.002 0.000 0.828 460 A CB -0.772 18.214 19.000 -0.024 0.000 1.069 460 A HN 0.512 nan 8.150 nan 0.000 0.522 461 N N 3.258 121.929 118.700 -0.049 0.000 2.936 461 N HA 0.381 2.414 4.740 -4.511 0.000 0.243 461 N C 0.442 175.914 175.510 -0.063 0.000 1.149 461 N CA 0.138 53.131 53.050 -0.095 0.000 0.914 461 N CB 0.477 38.918 38.487 -0.077 0.000 1.179 461 N HN 0.653 nan 8.380 nan 0.000 0.502 462 G N -0.206 108.562 108.800 -0.053 0.000 3.099 462 G HA2 0.139 1.392 3.960 -4.511 0.000 0.151 462 G HA3 0.139 1.392 3.960 -4.511 0.000 0.151 462 G C 0.292 175.210 174.900 0.030 0.000 1.265 462 G CA 0.043 45.145 45.100 0.003 0.000 0.981 462 G HN 0.290 nan 8.290 nan 0.000 0.601 463 T N -0.930 113.672 114.554 0.081 0.000 2.975 463 T HA 0.362 2.006 4.350 -4.511 0.000 0.261 463 T C 0.127 174.864 174.700 0.061 0.000 0.984 463 T CA -0.152 61.989 62.100 0.069 0.000 0.911 463 T CB -0.151 68.760 68.868 0.071 0.000 1.127 463 T HN 0.208 nan 8.240 nan 0.000 0.514 464 I N 2.633 123.245 120.570 0.070 0.000 2.382 464 I HA 0.477 1.940 4.170 -4.511 0.000 0.286 464 I C 0.090 176.250 176.117 0.072 0.000 1.002 464 I CA -0.997 60.339 61.300 0.061 0.000 1.135 464 I CB 1.652 39.681 38.000 0.047 0.000 1.288 464 I HN -0.034 nan 8.210 nan 0.000 0.448 465 R N 3.529 124.083 120.500 0.090 0.000 2.643 465 R HA 0.119 1.752 4.340 -4.511 0.000 0.270 465 R C 0.871 177.218 176.300 0.079 0.000 1.061 465 R CA 0.155 56.323 56.100 0.114 0.000 1.107 465 R CB 0.887 31.265 30.300 0.131 0.000 0.999 465 R HN 0.719 nan 8.270 nan 0.000 0.460 466 T N 1.321 115.922 114.554 0.077 0.000 2.665 466 T HA -0.236 1.408 4.350 -4.511 0.000 0.268 466 T C 1.822 176.554 174.700 0.053 0.000 1.035 466 T CA 2.173 64.304 62.100 0.052 0.000 1.151 466 T CB -0.249 68.645 68.868 0.043 0.000 0.862 466 T HN 0.823 nan 8.240 nan 0.000 0.438 467 S N 1.699 117.434 115.700 0.058 0.000 2.382 467 S HA -0.134 1.629 4.470 -4.511 0.000 0.228 467 S C 1.906 176.543 174.600 0.063 0.000 1.027 467 S CA 1.119 59.355 58.200 0.059 0.000 0.991 467 S CB -0.460 62.770 63.200 0.050 0.000 0.823 467 S HN 0.589 nan 8.310 nan 0.000 0.469 468 E N 0.640 120.875 120.200 0.057 0.000 2.106 468 E HA -0.036 1.607 4.350 -4.511 0.000 0.192 468 E C 2.013 178.641 176.600 0.048 0.000 0.984 468 E CA 1.008 57.438 56.400 0.051 0.000 0.806 468 E CB -0.259 29.469 29.700 0.047 0.000 0.750 468 E HN 0.397 nan 8.360 nan 0.000 0.458 469 L N 1.348 122.598 121.223 0.046 0.000 2.109 469 L HA -0.100 1.533 4.340 -4.511 0.000 0.207 469 L C 2.273 179.171 176.870 0.047 0.000 1.086 469 L CA 1.553 56.417 54.840 0.040 0.000 0.760 469 L CB -0.340 41.738 42.059 0.032 0.000 0.910 469 L HN -0.070 nan 8.230 nan 0.000 0.437 470 R N -0.803 119.730 120.500 0.057 0.000 2.073 470 R HA -0.182 1.451 4.340 -4.511 0.000 0.234 470 R C 2.271 178.625 176.300 0.090 0.000 1.134 470 R CA 1.911 58.054 56.100 0.071 0.000 0.952 470 R CB -0.499 29.848 30.300 0.079 0.000 0.850 470 R HN 0.395 nan 8.270 nan 0.000 0.433 471 L N 0.813 122.093 121.223 0.095 0.000 2.083 471 L HA -0.094 1.539 4.340 -4.511 0.000 0.209 471 L C 2.076 178.988 176.870 0.071 0.000 1.083 471 L CA 1.730 56.638 54.840 0.113 0.000 0.752 471 L CB -0.348 41.773 42.059 0.103 0.000 0.899 471 L HN 0.071 nan 8.230 nan 0.000 0.433 472 S N -0.640 115.090 115.700 0.050 0.000 2.368 472 S HA -0.248 1.515 4.470 -4.511 0.000 0.225 472 S C 1.927 176.550 174.600 0.038 0.000 1.030 472 S CA 1.883 60.103 58.200 0.034 0.000 0.999 472 S CB -0.425 62.792 63.200 0.029 0.000 0.844 472 S HN 0.583 nan 8.310 nan 0.000 0.459 473 M N 1.256 120.883 119.600 0.045 0.000 2.099 473 M HA -0.166 1.607 4.480 -4.511 0.000 0.262 473 M C 2.157 178.475 176.300 0.030 0.000 1.067 473 M CA 1.507 56.828 55.300 0.035 0.000 1.124 473 M CB -0.306 32.318 32.600 0.039 0.000 1.353 473 M HN 0.282 nan 8.290 nan 0.000 0.410 474 Q N 0.064 119.909 119.800 0.076 0.000 2.084 474 Q HA -0.169 1.464 4.340 -4.511 0.000 0.202 474 Q C 1.998 178.092 176.000 0.156 0.000 0.978 474 Q CA 1.303 57.186 55.803 0.133 0.000 0.844 474 Q CB -0.071 28.816 28.738 0.248 0.000 0.898 474 Q HN 0.383 nan 8.270 nan 0.000 0.426 475 K N 0.125 120.577 120.400 0.086 0.000 2.155 475 K HA 0.016 1.630 4.320 -4.511 0.000 0.203 475 K C 2.140 178.783 176.600 0.070 0.000 1.052 475 K CA 0.744 57.032 56.287 0.002 0.000 0.948 475 K CB -0.107 32.319 32.500 -0.124 0.000 0.728 475 K HN 0.036 nan 8.250 nan 0.000 0.448 476 S N 0.955 116.708 115.700 0.089 0.000 2.368 476 S HA -0.032 1.731 4.470 -4.511 0.000 0.224 476 S C 1.915 176.635 174.600 0.199 0.000 1.029 476 S CA 0.956 59.258 58.200 0.171 0.000 0.988 476 S CB -0.024 63.212 63.200 0.061 0.000 0.838 476 S HN 0.191 nan 8.310 nan 0.000 0.462 477 M N 0.909 120.530 119.600 0.036 0.000 2.175 477 M HA -0.011 1.762 4.480 -4.511 0.000 0.264 477 M C 2.269 178.655 176.300 0.143 0.000 1.063 477 M CA 1.274 56.516 55.300 -0.097 0.000 1.119 477 M CB -1.257 30.977 32.600 -0.611 0.000 1.377 477 M HN 0.238 nan 8.290 nan 0.000 0.415 478 Q N 0.578 120.529 119.800 0.252 0.000 2.167 478 Q HA -0.088 1.545 4.340 -4.511 0.000 0.202 478 Q C 1.961 178.124 176.000 0.272 0.000 0.970 478 Q CA 2.165 58.224 55.803 0.428 0.000 0.855 478 Q CB -0.033 28.939 28.738 0.390 0.000 0.911 478 Q HN 0.593 nan 8.270 nan 0.000 0.438 479 S N -2.497 113.289 115.700 0.144 0.000 2.492 479 S HA 0.054 1.817 4.470 -4.511 0.000 0.218 479 S C 1.127 175.649 174.600 -0.130 0.000 1.016 479 S CA 0.326 58.514 58.200 -0.020 0.000 0.916 479 S CB -0.172 62.948 63.200 -0.133 0.000 0.791 479 S HN 0.471 nan 8.310 nan 0.000 0.513 480 H N 1.220 120.345 119.070 0.091 0.000 2.582 480 H HA 0.604 2.452 4.556 -4.514 0.000 0.269 480 H C 0.957 176.345 175.328 0.100 0.000 0.962 480 H CA 0.664 56.753 56.048 0.069 0.000 1.230 480 H CB 0.519 30.300 29.762 0.032 0.000 1.445 480 H HN 0.523 nan 8.280 nan 0.000 0.528 481 A N 0.389 123.375 122.820 0.276 0.000 3.176 481 A HA 0.715 2.328 4.320 -4.511 0.000 0.265 481 A C 0.467 178.302 177.584 0.419 0.000 0.936 481 A CA 0.043 52.264 52.037 0.308 0.000 1.033 481 A CB -0.423 18.767 19.000 0.317 0.000 1.158 481 A HN 0.329 nan 8.150 nan 0.000 0.485 482 A N -0.301 122.664 122.820 0.242 0.000 2.896 482 A HA 0.620 2.234 4.320 -4.511 0.000 0.232 482 A C 1.513 178.896 177.584 -0.336 0.000 1.809 482 A CA 0.564 52.651 52.037 0.083 0.000 0.855 482 A CB -0.621 18.392 19.000 0.022 0.000 1.773 482 A HN 0.646 nan 8.150 nan 0.000 0.644 483 V N -1.242 118.203 119.914 -0.781 0.000 2.255 483 V HA -0.126 1.287 4.120 -4.511 0.000 0.247 483 V C 0.570 176.277 176.094 -0.644 0.000 1.051 483 V CA 1.487 63.247 62.300 -0.901 0.000 1.018 483 V CB -0.905 30.415 31.823 -0.839 0.000 0.641 483 V HN 0.467 nan 8.190 nan 0.000 0.445 484 F N 0.720 120.534 119.950 -0.227 0.000 2.443 484 F HA 0.668 2.486 4.527 -4.515 0.000 0.335 484 F C 0.484 176.217 175.800 -0.112 0.000 1.104 484 F CA -0.829 57.079 58.000 -0.153 0.000 1.013 484 F CB 1.115 40.042 39.000 -0.121 0.000 1.136 484 F HN 0.078 nan 8.300 nan 0.000 0.470 485 R N 1.460 122.000 120.500 0.067 0.000 2.668 485 R HA 0.858 2.491 4.340 -4.511 0.000 0.272 485 R C -1.889 174.429 176.300 0.030 0.000 1.019 485 R CA -1.098 55.024 56.100 0.037 0.000 0.894 485 R CB 1.636 31.951 30.300 0.024 0.000 1.228 485 R HN 0.477 nan 8.270 nan 0.000 0.460 486 V N -1.737 118.204 119.914 0.044 0.000 3.001 486 V HA 0.636 2.049 4.120 -4.511 0.000 0.314 486 V C 1.222 177.355 176.094 0.065 0.000 1.099 486 V CA -0.193 62.138 62.300 0.051 0.000 0.989 486 V CB 1.622 33.462 31.823 0.027 0.000 1.040 486 V HN 0.875 nan 8.190 nan 0.000 0.434 487 G N 1.655 110.509 108.800 0.091 0.000 2.513 487 G HA2 -0.308 0.945 3.960 -4.511 0.000 0.219 487 G HA3 -0.308 0.945 3.960 -4.511 0.000 0.219 487 G C 1.589 176.523 174.900 0.056 0.000 1.160 487 G CA 1.940 47.094 45.100 0.090 0.000 0.767 487 G HN 1.350 nan 8.290 nan 0.000 0.571 488 S N 0.057 115.787 115.700 0.050 0.000 2.355 488 S HA -0.079 1.684 4.470 -4.511 0.000 0.222 488 S C 2.313 176.947 174.600 0.058 0.000 1.031 488 S CA 1.534 59.759 58.200 0.042 0.000 0.993 488 S CB -0.634 62.585 63.200 0.032 0.000 0.859 488 S HN 0.135 nan 8.310 nan 0.000 0.453 489 V N 2.345 122.302 119.914 0.072 0.000 2.343 489 V HA -0.120 1.294 4.120 -4.511 0.000 0.247 489 V C 2.615 178.821 176.094 0.188 0.000 1.051 489 V CA 1.831 64.211 62.300 0.133 0.000 1.036 489 V CB -0.920 30.947 31.823 0.074 0.000 0.654 489 V HN 0.441 nan 8.190 nan 0.000 0.451 490 L N -0.533 120.749 121.223 0.099 0.000 2.046 490 L HA -0.232 1.401 4.340 -4.511 0.000 0.208 490 L C 2.629 179.472 176.870 -0.045 0.000 1.077 490 L CA 1.701 56.570 54.840 0.048 0.000 0.747 490 L CB -0.510 41.569 42.059 0.033 0.000 0.896 490 L HN 0.340 nan 8.230 nan 0.000 0.432 491 Q N 0.141 119.918 119.800 -0.039 0.000 2.167 491 Q HA -0.226 1.408 4.340 -4.511 0.000 0.202 491 Q C 2.056 177.996 176.000 -0.099 0.000 0.970 491 Q CA 1.521 57.270 55.803 -0.089 0.000 0.855 491 Q CB -0.043 28.672 28.738 -0.038 0.000 0.911 491 Q HN 0.392 nan 8.270 nan 0.000 0.438 492 E N -1.402 118.770 120.200 -0.048 0.000 2.152 492 E HA -0.112 1.531 4.350 -4.511 0.000 0.192 492 E C 1.679 178.112 176.600 -0.279 0.000 0.983 492 E CA 0.895 57.250 56.400 -0.075 0.000 0.818 492 E CB -0.224 29.505 29.700 0.048 0.000 0.758 492 E HN 0.539 nan 8.360 nan 0.000 0.467 493 G N 0.664 109.234 108.800 -0.383 0.000 2.402 493 G HA2 -0.271 0.982 3.960 -4.511 0.000 0.216 493 G HA3 -0.271 0.982 3.960 -4.511 0.000 0.216 493 G C 1.750 176.465 174.900 -0.309 0.000 1.162 493 G CA 0.884 45.629 45.100 -0.592 0.000 0.777 493 G HN 0.348 nan 8.290 nan 0.000 0.539 494 C N 1.361 120.489 119.300 -0.287 0.000 2.413 494 C HA -0.052 1.702 4.460 -4.511 0.000 0.277 494 C C 2.850 177.752 174.990 -0.146 0.000 1.228 494 C CA 1.331 60.115 59.018 -0.390 0.000 1.731 494 C CB -0.872 26.358 27.740 -0.851 0.000 2.042 494 C HN 0.806 nan 8.230 nan 0.000 0.468 495 E N 0.788 120.917 120.200 -0.119 0.000 2.478 495 E HA -0.164 1.480 4.350 -4.511 0.000 0.198 495 E C 1.836 178.425 176.600 -0.019 0.000 1.046 495 E CA 0.814 57.204 56.400 -0.016 0.000 0.870 495 E CB -0.208 29.483 29.700 -0.015 0.000 0.818 495 E HN 0.627 nan 8.360 nan 0.000 0.527 496 K N 0.471 120.823 120.400 -0.080 0.000 2.168 496 K HA 0.042 1.655 4.320 -4.511 0.000 0.201 496 K C 1.935 178.523 176.600 -0.021 0.000 1.049 496 K CA 0.297 56.540 56.287 -0.073 0.000 0.974 496 K CB 0.238 32.636 32.500 -0.171 0.000 0.792 496 K HN 0.059 nan 8.250 nan 0.000 0.463 497 I N 1.757 122.318 120.570 -0.015 0.000 2.315 497 I HA -0.213 1.250 4.170 -4.511 0.000 0.248 497 I C 2.266 178.456 176.117 0.122 0.000 1.117 497 I CA 0.836 62.168 61.300 0.053 0.000 1.404 497 I CB -0.834 37.201 38.000 0.059 0.000 1.071 497 I HN 0.250 nan 8.210 nan 0.000 0.419 498 L N 0.988 122.297 121.223 0.143 0.000 2.083 498 L HA -0.141 1.492 4.340 -4.511 0.000 0.209 498 L C 2.636 179.589 176.870 0.138 0.000 1.083 498 L CA 1.762 56.690 54.840 0.148 0.000 0.752 498 L CB -0.704 41.458 42.059 0.170 0.000 0.899 498 L HN 0.071 nan 8.230 nan 0.000 0.433 499 R N -0.306 120.252 120.500 0.095 0.000 2.115 499 R HA -0.065 1.568 4.340 -4.511 0.000 0.230 499 R C 2.154 178.505 176.300 0.084 0.000 1.111 499 R CA 1.476 57.622 56.100 0.077 0.000 0.976 499 R CB -0.415 29.909 30.300 0.040 0.000 0.870 499 R HN 0.472 nan 8.270 nan 0.000 0.445 500 L N -0.718 120.558 121.223 0.088 0.000 2.291 500 L HA -0.136 1.498 4.340 -4.511 0.000 0.214 500 L C 2.100 179.032 176.870 0.103 0.000 1.120 500 L CA 0.724 55.611 54.840 0.078 0.000 0.799 500 L CB -0.422 41.674 42.059 0.063 0.000 0.925 500 L HN 0.157 nan 8.230 nan 0.000 0.446 501 Y N 0.640 120.957 120.300 0.028 0.000 2.314 501 Y HA -0.095 1.751 4.550 -4.508 0.000 0.293 501 Y C 2.310 178.231 175.900 0.034 0.000 1.129 501 Y CA 1.294 59.408 58.100 0.024 0.000 1.201 501 Y CB -0.158 38.309 38.460 0.011 0.000 0.999 501 Y HN 0.078 nan 8.280 nan 0.000 0.541 502 G N -0.832 108.073 108.800 0.176 0.000 2.509 502 G HA2 -0.192 1.061 3.960 -4.511 0.000 0.218 502 G HA3 -0.192 1.061 3.960 -4.511 0.000 0.218 502 G C 1.068 176.039 174.900 0.119 0.000 1.124 502 G CA 0.953 46.131 45.100 0.130 0.000 0.776 502 G HN 0.314 nan 8.290 nan 0.000 0.547 503 D N 0.121 120.570 120.400 0.081 0.000 2.355 503 D HA 0.065 1.999 4.640 -4.511 0.000 0.218 503 D C 2.335 178.668 176.300 0.055 0.000 1.004 503 D CA 0.031 54.089 54.000 0.098 0.000 0.880 503 D CB 0.196 41.021 40.800 0.041 0.000 0.911 503 D HN 0.289 nan 8.370 nan 0.000 0.528 504 L N 0.716 121.902 121.223 -0.061 0.000 2.465 504 L HA -0.088 1.546 4.340 -4.511 0.000 0.224 504 L C 2.273 179.078 176.870 -0.108 0.000 1.145 504 L CA 0.616 55.374 54.840 -0.137 0.000 0.834 504 L CB -0.164 41.691 42.059 -0.340 0.000 0.944 504 L HN 0.092 nan 8.230 nan 0.000 0.451 505 Q N -1.675 118.074 119.800 -0.086 0.000 2.425 505 Q HA -0.076 1.558 4.340 -4.511 0.000 0.204 505 Q C 1.149 177.013 176.000 -0.225 0.000 0.933 505 Q CA 0.703 56.416 55.803 -0.150 0.000 0.939 505 Q CB 0.078 28.711 28.738 -0.174 0.000 1.044 505 Q HN 0.538 nan 8.270 nan 0.000 0.513 506 H N 0.737 119.785 119.070 -0.038 0.000 2.652 506 H HA 0.174 2.023 4.556 -4.512 0.000 0.274 506 H C 0.086 175.400 175.328 -0.023 0.000 1.021 506 H CA -0.311 55.722 56.048 -0.024 0.000 1.187 506 H CB 0.614 30.367 29.762 -0.014 0.000 1.505 506 H HN 0.224 nan 8.280 nan 0.000 0.530 507 L N 0.194 121.448 121.223 0.051 0.000 2.439 507 L HA 0.295 1.928 4.340 -4.511 0.000 0.269 507 L C 0.330 177.204 176.870 0.007 0.000 1.179 507 L CA 0.018 54.876 54.840 0.030 0.000 0.828 507 L CB 0.520 42.583 42.059 0.006 0.000 1.106 507 L HN -0.190 nan 8.230 nan 0.000 0.467 508 K N 0.674 121.084 120.400 0.015 0.000 2.244 508 K HA 0.583 2.196 4.320 -4.511 0.000 0.260 508 K C -0.766 175.823 176.600 -0.019 0.000 0.951 508 K CA -0.447 55.819 56.287 -0.035 0.000 0.826 508 K CB 1.438 33.927 32.500 -0.018 0.000 1.108 508 K HN 0.891 nan 8.250 nan 0.000 0.433 509 T N 2.163 116.651 114.554 -0.111 0.000 2.924 509 T HA 0.503 2.146 4.350 -4.511 0.000 0.291 509 T C -0.182 174.402 174.700 -0.192 0.000 1.045 509 T CA -0.440 61.634 62.100 -0.043 0.000 1.015 509 T CB 0.641 69.482 68.868 -0.045 0.000 1.103 509 T HN 0.501 nan 8.240 nan 0.000 0.496 510 F N -0.033 119.901 119.950 -0.027 0.000 2.549 510 F HA 0.345 2.165 4.527 -4.512 0.000 0.275 510 F C 1.191 176.968 175.800 -0.038 0.000 0.990 510 F CA -0.417 57.571 58.000 -0.021 0.000 1.274 510 F CB 0.394 39.388 39.000 -0.011 0.000 1.064 510 F HN 0.402 nan 8.300 nan 0.000 0.715 511 D N 1.486 121.968 120.400 0.136 0.000 2.382 511 D HA 0.075 2.008 4.640 -4.511 0.000 0.259 511 D C 0.265 176.529 176.300 -0.059 0.000 1.224 511 D CA 0.354 54.379 54.000 0.042 0.000 0.894 511 D CB 0.754 41.574 40.800 0.033 0.000 1.127 511 D HN 0.136 nan 8.370 nan 0.000 0.487 512 R N 2.096 122.547 120.500 -0.082 0.000 2.633 512 R HA 0.309 1.943 4.340 -4.511 0.000 0.348 512 R C 0.697 176.900 176.300 -0.162 0.000 1.100 512 R CA -0.474 55.501 56.100 -0.208 0.000 1.068 512 R CB 1.175 31.365 30.300 -0.183 0.000 1.351 512 R HN 0.319 nan 8.270 nan 0.000 0.575 513 G N -0.563 108.184 108.800 -0.090 0.000 2.488 513 G HA2 0.203 1.456 3.960 -4.511 0.000 0.318 513 G HA3 0.203 1.456 3.960 -4.511 0.000 0.318 513 G C 0.664 175.535 174.900 -0.047 0.000 1.188 513 G CA -0.498 44.574 45.100 -0.047 0.000 0.944 513 G HN 0.006 nan 8.290 nan 0.000 0.495 514 M N -0.313 119.277 119.600 -0.017 0.000 2.429 514 M HA 0.095 1.869 4.480 -4.511 0.000 0.265 514 M C 0.807 177.119 176.300 0.019 0.000 1.120 514 M CA 0.619 55.918 55.300 -0.003 0.000 1.173 514 M CB 0.038 32.637 32.600 -0.001 0.000 1.343 514 M HN 0.122 nan 8.290 nan 0.000 0.464 515 V N 0.870 120.817 119.914 0.054 0.000 2.508 515 V HA -0.056 1.357 4.120 -4.511 0.000 0.281 515 V C -0.422 175.786 176.094 0.190 0.000 1.041 515 V CA -0.252 62.119 62.300 0.118 0.000 1.016 515 V CB -0.281 31.626 31.823 0.141 0.000 0.984 515 V HN 0.700 nan 8.190 nan 0.000 0.478 516 W N 3.893 125.181 121.300 -0.019 0.000 6.905 516 W HA -0.228 1.725 4.660 -4.511 0.000 0.419 516 W C 0.967 177.465 176.519 -0.035 0.000 1.653 516 W CA 0.437 57.768 57.345 -0.024 0.000 1.131 516 W CB -0.778 28.674 29.460 -0.014 0.000 2.876 516 W HN 0.715 nan 8.180 nan 0.000 1.563 517 N N 0.868 119.592 118.700 0.041 0.000 2.968 517 N HA 0.037 2.070 4.740 -4.511 0.000 0.271 517 N C 1.407 176.901 175.510 -0.027 0.000 1.174 517 N CA 1.020 54.075 53.050 0.009 0.000 1.096 517 N CB 0.443 38.901 38.487 -0.047 0.000 1.403 517 N HN 0.307 nan 8.380 nan 0.000 0.522 518 T N -1.027 113.561 114.554 0.058 0.000 2.833 518 T HA -0.169 1.474 4.350 -4.511 0.000 0.269 518 T C 1.410 176.101 174.700 -0.016 0.000 1.054 518 T CA 0.868 62.987 62.100 0.033 0.000 1.135 518 T CB -0.012 68.933 68.868 0.129 0.000 0.869 518 T HN 0.223 nan 8.240 nan 0.000 0.466 519 D N 1.112 121.512 120.400 0.001 0.000 2.133 519 D HA -0.093 1.840 4.640 -4.511 0.000 0.195 519 D C 1.907 178.180 176.300 -0.043 0.000 0.997 519 D CA 0.790 54.790 54.000 -0.001 0.000 0.840 519 D CB -0.436 40.383 40.800 0.032 0.000 0.947 519 D HN 0.347 nan 8.370 nan 0.000 0.452 520 L N 0.402 121.576 121.223 -0.082 0.000 2.044 520 L HA -0.082 1.551 4.340 -4.511 0.000 0.205 520 L C 2.584 179.328 176.870 -0.210 0.000 1.075 520 L CA 1.764 56.527 54.840 -0.129 0.000 0.747 520 L CB -0.885 41.092 42.059 -0.138 0.000 0.903 520 L HN 0.117 nan 8.230 nan 0.000 0.435 521 V N -2.964 116.777 119.914 -0.288 0.000 2.490 521 V HA -0.193 1.221 4.120 -4.511 0.000 0.250 521 V C 2.128 178.000 176.094 -0.370 0.000 1.061 521 V CA 1.847 63.829 62.300 -0.529 0.000 1.064 521 V CB -1.079 30.380 31.823 -0.605 0.000 0.670 521 V HN 0.570 nan 8.190 nan 0.000 0.461 522 E N 0.582 120.680 120.200 -0.171 0.000 2.208 522 E HA -0.101 1.542 4.350 -4.511 0.000 0.193 522 E C 2.270 178.841 176.600 -0.047 0.000 0.988 522 E CA 1.578 57.938 56.400 -0.067 0.000 0.828 522 E CB -0.229 29.460 29.700 -0.018 0.000 0.763 522 E HN 0.708 nan 8.360 nan 0.000 0.478 523 T N 1.299 115.809 114.554 -0.073 0.000 2.942 523 T HA -0.025 1.618 4.350 -4.511 0.000 0.265 523 T C 1.951 176.617 174.700 -0.056 0.000 1.062 523 T CA 0.459 62.529 62.100 -0.050 0.000 1.139 523 T CB -0.019 68.820 68.868 -0.050 0.000 0.883 523 T HN 0.066 nan 8.240 nan 0.000 0.468 524 L N 0.756 121.911 121.223 -0.113 0.000 2.046 524 L HA -0.078 1.555 4.340 -4.511 0.000 0.208 524 L C 2.698 179.607 176.870 0.066 0.000 1.077 524 L CA 1.391 56.192 54.840 -0.065 0.000 0.747 524 L CB -0.445 41.472 42.059 -0.236 0.000 0.896 524 L HN 0.287 nan 8.230 nan 0.000 0.432 525 E N -0.296 119.934 120.200 0.051 0.000 2.153 525 E HA -0.261 1.383 4.350 -4.511 0.000 0.194 525 E C 2.055 178.711 176.600 0.093 0.000 0.988 525 E CA 0.985 57.472 56.400 0.146 0.000 0.811 525 E CB -0.068 29.709 29.700 0.129 0.000 0.746 525 E HN 0.265 nan 8.360 nan 0.000 0.466 526 L N 1.163 122.416 121.223 0.049 0.000 2.027 526 L HA -0.196 1.438 4.340 -4.511 0.000 0.206 526 L C 2.098 178.986 176.870 0.031 0.000 1.074 526 L CA 1.728 56.591 54.840 0.039 0.000 0.745 526 L CB -0.259 41.811 42.059 0.018 0.000 0.898 526 L HN 0.042 nan 8.230 nan 0.000 0.433 527 Q N -0.538 119.272 119.800 0.017 0.000 2.112 527 Q HA -0.227 1.406 4.340 -4.511 0.000 0.206 527 Q C 1.903 177.937 176.000 0.057 0.000 0.987 527 Q CA 1.791 57.601 55.803 0.011 0.000 0.858 527 Q CB -0.279 28.462 28.738 0.005 0.000 0.905 527 Q HN 0.583 nan 8.270 nan 0.000 0.420 528 N N 0.550 119.292 118.700 0.070 0.000 2.106 528 N HA -0.098 1.935 4.740 -4.511 0.000 0.188 528 N C 1.826 177.358 175.510 0.038 0.000 1.029 528 N CA 0.937 54.023 53.050 0.060 0.000 0.848 528 N CB -0.308 38.231 38.487 0.087 0.000 1.007 528 N HN 0.180 nan 8.380 nan 0.000 0.423 529 L N 0.242 121.499 121.223 0.057 0.000 2.046 529 L HA -0.091 1.542 4.340 -4.511 0.000 0.208 529 L C 2.297 179.191 176.870 0.039 0.000 1.077 529 L CA 0.824 55.696 54.840 0.054 0.000 0.747 529 L CB -0.290 41.815 42.059 0.077 0.000 0.896 529 L HN 0.138 nan 8.230 nan 0.000 0.432 530 M N -0.488 119.152 119.600 0.067 0.000 2.080 530 M HA -0.214 1.559 4.480 -4.511 0.000 0.260 530 M C 2.407 178.770 176.300 0.105 0.000 1.068 530 M CA 1.875 57.243 55.300 0.114 0.000 1.109 530 M CB -1.018 31.688 32.600 0.177 0.000 1.342 530 M HN 0.243 nan 8.290 nan 0.000 0.405 531 L N -0.879 120.402 121.223 0.097 0.000 2.127 531 L HA -0.270 1.363 4.340 -4.511 0.000 0.211 531 L C 2.592 179.403 176.870 -0.099 0.000 1.089 531 L CA 0.942 55.787 54.840 0.009 0.000 0.757 531 L CB -0.699 41.370 42.059 0.017 0.000 0.899 531 L HN 0.358 nan 8.230 nan 0.000 0.434 532 C N -0.706 118.506 119.300 -0.147 0.000 2.457 532 C HA -0.012 1.741 4.460 -4.511 0.000 0.278 532 C C 3.109 177.967 174.990 -0.221 0.000 1.309 532 C CA 0.487 59.298 59.018 -0.343 0.000 1.735 532 C CB -0.913 26.507 27.740 -0.532 0.000 1.992 532 C HN 0.605 nan 8.230 nan 0.000 0.493 533 A N 0.502 123.278 122.820 -0.073 0.000 1.855 533 A HA -0.090 1.524 4.320 -4.511 0.000 0.215 533 A C 1.998 179.593 177.584 0.019 0.000 1.191 533 A CA 1.435 53.464 52.037 -0.013 0.000 0.613 533 A CB -0.711 18.288 19.000 -0.001 0.000 0.829 533 A HN 0.447 nan 8.150 nan 0.000 0.442 534 L N -0.193 121.044 121.223 0.023 0.000 2.013 534 L HA -0.299 1.334 4.340 -4.511 0.000 0.212 534 L C 2.845 179.766 176.870 0.084 0.000 1.073 534 L CA 2.301 57.178 54.840 0.062 0.000 0.753 534 L CB -0.519 41.487 42.059 -0.088 0.000 0.890 534 L HN 0.484 nan 8.230 nan 0.000 0.432 535 Q N -1.771 118.014 119.800 -0.026 0.000 2.167 535 Q HA -0.149 1.485 4.340 -4.511 0.000 0.202 535 Q C 2.070 178.086 176.000 0.027 0.000 0.970 535 Q CA 1.744 57.529 55.803 -0.031 0.000 0.855 535 Q CB -0.186 28.484 28.738 -0.112 0.000 0.911 535 Q HN 0.537 nan 8.270 nan 0.000 0.438 536 T N 1.202 115.777 114.554 0.034 0.000 2.701 536 T HA -0.135 1.509 4.350 -4.511 0.000 0.263 536 T C 1.809 176.567 174.700 0.096 0.000 1.040 536 T CA 1.031 63.188 62.100 0.096 0.000 1.147 536 T CB -0.182 68.795 68.868 0.181 0.000 0.865 536 T HN 0.155 nan 8.240 nan 0.000 0.426 537 I N -0.090 120.540 120.570 0.100 0.000 2.286 537 I HA -0.062 1.401 4.170 -4.511 0.000 0.245 537 I C 1.904 178.031 176.117 0.017 0.000 1.104 537 I CA 1.262 62.597 61.300 0.059 0.000 1.397 537 I CB -0.255 37.756 38.000 0.018 0.000 1.072 537 I HN 0.201 nan 8.210 nan 0.000 0.417 538 Y N 0.482 120.775 120.300 -0.010 0.000 2.220 538 Y HA -0.038 1.802 4.550 -4.517 0.000 0.291 538 Y C 2.568 178.465 175.900 -0.004 0.000 1.129 538 Y CA 1.692 59.787 58.100 -0.008 0.000 1.161 538 Y CB -1.079 37.367 38.460 -0.022 0.000 0.997 538 Y HN 0.201 nan 8.280 nan 0.000 0.522 539 G N -0.693 108.187 108.800 0.134 0.000 2.422 539 G HA2 -0.227 1.026 3.960 -4.511 0.000 0.218 539 G HA3 -0.227 1.026 3.960 -4.511 0.000 0.218 539 G C 1.870 176.735 174.900 -0.059 0.000 1.146 539 G CA 0.903 46.037 45.100 0.057 0.000 0.769 539 G HN 0.465 nan 8.290 nan 0.000 0.547 540 A N 1.530 124.303 122.820 -0.077 0.000 1.898 540 A HA -0.001 1.613 4.320 -4.511 0.000 0.216 540 A C 2.193 179.767 177.584 -0.017 0.000 1.181 540 A CA 2.152 54.114 52.037 -0.124 0.000 0.620 540 A CB -0.393 18.630 19.000 0.038 0.000 0.819 540 A HN 0.519 nan 8.150 nan 0.000 0.442 541 E N 0.333 120.523 120.200 -0.016 0.000 2.152 541 E HA 0.116 1.759 4.350 -4.511 0.000 0.192 541 E C 1.681 178.261 176.600 -0.033 0.000 0.983 541 E CA 1.438 57.827 56.400 -0.018 0.000 0.818 541 E CB -0.524 29.134 29.700 -0.071 0.000 0.758 541 E HN 0.391 nan 8.360 nan 0.000 0.467 542 A N 0.942 123.754 122.820 -0.014 0.000 1.968 542 A HA -0.022 1.591 4.320 -4.511 0.000 0.217 542 A C 1.648 179.127 177.584 -0.176 0.000 1.169 542 A CA 0.673 52.737 52.037 0.045 0.000 0.638 542 A CB -0.464 18.664 19.000 0.213 0.000 0.812 542 A HN 0.197 nan 8.150 nan 0.000 0.446 543 R N 0.914 121.158 120.500 -0.426 0.000 2.343 543 R HA 0.191 1.825 4.340 -4.511 0.000 0.326 543 R C -0.868 174.900 176.300 -0.886 0.000 1.055 543 R CA 0.125 55.578 56.100 -1.077 0.000 0.961 543 R CB 0.055 29.857 30.300 -0.831 0.000 0.978 543 R HN 0.178 nan 8.270 nan 0.000 0.443 544 K N 4.738 124.296 120.400 -1.402 0.000 2.847 544 K HA 0.102 1.716 4.320 -4.511 0.000 0.213 544 K C -0.988 175.052 176.600 -0.932 0.000 1.174 544 K CA -0.261 55.315 56.287 -1.186 0.000 1.095 544 K CB 0.532 32.139 32.500 -1.489 0.000 1.581 544 K HN 0.692 nan 8.250 nan 0.000 0.514 545 E N -1.738 118.167 120.200 -0.491 0.000 2.437 545 E HA 0.362 2.005 4.350 -4.511 0.000 0.280 545 E C -1.203 175.405 176.600 0.014 0.000 1.044 545 E CA -1.073 55.248 56.400 -0.130 0.000 0.826 545 E CB 1.279 30.906 29.700 -0.122 0.000 1.358 545 E HN -0.149 nan 8.360 nan 0.000 0.459 546 S N 0.451 116.200 115.700 0.082 0.000 2.461 546 S HA 0.443 2.207 4.470 -4.511 0.000 0.322 546 S C -0.801 173.887 174.600 0.147 0.000 1.063 546 S CA -0.658 57.588 58.200 0.077 0.000 1.120 546 S CB 0.361 63.603 63.200 0.070 0.000 0.968 546 S HN 0.413 nan 8.310 nan 0.000 0.467 547 R N 2.420 123.051 120.500 0.219 0.000 2.502 547 R HA 0.543 2.176 4.340 -4.511 0.000 0.298 547 R C 0.778 177.293 176.300 0.358 0.000 1.018 547 R CA 0.304 56.578 56.100 0.289 0.000 0.899 547 R CB 0.731 31.241 30.300 0.349 0.000 1.181 547 R HN 0.836 nan 8.270 nan 0.000 0.444 548 G N 2.661 111.610 108.800 0.249 0.000 2.591 548 G HA2 -0.465 0.788 3.960 -4.511 0.000 0.298 548 G HA3 -0.465 0.788 3.960 -4.511 0.000 0.298 548 G C 0.752 175.769 174.900 0.195 0.000 1.195 548 G CA 0.522 45.756 45.100 0.224 0.000 0.989 548 G HN 0.795 nan 8.290 nan 0.000 0.551 549 A N -0.705 122.275 122.820 0.268 0.000 2.014 549 A HA 0.153 1.766 4.320 -4.511 0.000 0.218 549 A C 1.300 178.955 177.584 0.118 0.000 1.163 549 A CA 1.704 53.853 52.037 0.187 0.000 0.652 549 A CB -0.400 18.759 19.000 0.266 0.000 0.808 549 A HN 0.993 nan 8.150 nan 0.000 0.449 550 H N 0.496 119.587 119.070 0.035 0.000 2.864 550 H HA 0.495 2.330 4.556 -4.536 0.000 0.281 550 H C -0.730 174.554 175.328 -0.073 0.000 1.093 550 H CA 0.251 56.217 56.048 -0.137 0.000 1.453 550 H CB 0.281 29.780 29.762 -0.439 0.000 1.462 550 H HN 0.242 nan 8.280 nan 0.000 0.480 551 A N 7.411 129.983 122.820 -0.413 0.000 2.311 551 A HA 0.431 2.044 4.320 -4.511 0.000 0.306 551 A C -0.320 177.081 177.584 -0.305 0.000 1.189 551 A CA -0.906 50.956 52.037 -0.292 0.000 0.791 551 A CB 0.776 19.613 19.000 -0.272 0.000 1.172 551 A HN 0.672 nan 8.150 nan 0.000 0.481 552 R N 2.129 122.508 120.500 -0.202 0.000 2.294 552 R HA 0.275 1.908 4.340 -4.511 0.000 0.319 552 R C 0.105 176.440 176.300 0.058 0.000 0.984 552 R CA -0.307 55.756 56.100 -0.061 0.000 0.861 552 R CB 1.425 31.746 30.300 0.035 0.000 1.104 552 R HN 0.896 nan 8.270 nan 0.000 0.451 553 E N 0.948 121.186 120.200 0.064 0.000 2.216 553 E HA -0.140 1.503 4.350 -4.511 0.000 0.192 553 E C 0.451 177.031 176.600 -0.034 0.000 0.988 553 E CA 1.073 57.495 56.400 0.037 0.000 0.834 553 E CB 0.323 30.029 29.700 0.009 0.000 0.772 553 E HN 0.553 nan 8.360 nan 0.000 0.479 554 D N -0.101 120.263 120.400 -0.061 0.000 2.323 554 D HA -0.113 1.820 4.640 -4.511 0.000 0.209 554 D C 0.115 176.075 176.300 -0.567 0.000 0.973 554 D CA 0.444 54.280 54.000 -0.273 0.000 0.874 554 D CB -0.172 40.468 40.800 -0.267 0.000 0.930 554 D HN 0.096 nan 8.370 nan 0.000 0.521 555 F N 0.462 120.404 119.950 -0.014 0.000 2.710 555 F HA 0.353 2.310 4.527 -4.284 0.000 0.345 555 F C 1.158 176.958 175.800 -0.000 0.000 1.362 555 F CA -0.907 57.088 58.000 -0.007 0.000 1.175 555 F CB 1.314 40.296 39.000 -0.030 0.000 1.561 555 F HN -0.351 nan 8.300 nan 0.000 0.593 556 K N 0.097 120.561 120.400 0.108 0.000 2.209 556 K HA -0.027 1.587 4.320 -4.511 0.000 0.204 556 K C 0.679 177.349 176.600 0.115 0.000 1.048 556 K CA 0.702 57.047 56.287 0.096 0.000 0.940 556 K CB 0.176 32.714 32.500 0.062 0.000 0.729 556 K HN 0.431 nan 8.250 nan 0.000 0.451 557 E N 1.223 121.505 120.200 0.136 0.000 2.390 557 E HA 0.033 1.676 4.350 -4.511 0.000 0.261 557 E C 0.196 176.885 176.600 0.148 0.000 1.076 557 E CA -0.175 56.307 56.400 0.136 0.000 0.905 557 E CB 0.804 30.589 29.700 0.142 0.000 0.984 557 E HN -0.114 nan 8.360 nan 0.000 0.427 558 R N 1.939 122.523 120.500 0.141 0.000 2.204 558 R HA 0.220 1.854 4.340 -4.511 0.000 0.341 558 R C -1.134 175.268 176.300 0.170 0.000 1.035 558 R CA -0.487 55.705 56.100 0.154 0.000 0.887 558 R CB 0.271 30.656 30.300 0.142 0.000 1.114 558 R HN 0.190 nan 8.270 nan 0.000 0.473 559 V N 5.938 125.976 119.914 0.207 0.000 2.339 559 V HA 0.157 1.570 4.120 -4.511 0.000 0.261 559 V C 0.334 176.570 176.094 0.238 0.000 1.058 559 V CA -0.343 62.099 62.300 0.236 0.000 0.897 559 V CB 0.925 32.948 31.823 0.332 0.000 1.052 559 V HN 0.623 nan 8.190 nan 0.000 0.480 560 D N 3.081 123.589 120.400 0.179 0.000 2.588 560 D HA 0.304 2.237 4.640 -4.511 0.000 0.268 560 D C 0.950 177.203 176.300 -0.080 0.000 1.176 560 D CA -0.582 53.496 54.000 0.131 0.000 1.080 560 D CB 1.259 42.217 40.800 0.264 0.000 1.186 560 D HN 0.483 nan 8.370 nan 0.000 0.619 561 E N -0.630 119.361 120.200 -0.349 0.000 2.150 561 E HA -0.080 1.564 4.350 -4.511 0.000 0.193 561 E C -0.075 176.157 176.600 -0.613 0.000 0.985 561 E CA 1.307 57.294 56.400 -0.688 0.000 0.814 561 E CB -0.187 29.078 29.700 -0.725 0.000 0.752 561 E HN 0.374 nan 8.360 nan 0.000 0.466 562 Y N -0.531 119.647 120.300 -0.204 0.000 2.630 562 Y HA 0.343 2.190 4.550 -4.506 0.000 0.337 562 Y C -0.396 175.361 175.900 -0.240 0.000 1.051 562 Y CA -1.643 56.247 58.100 -0.351 0.000 1.121 562 Y CB 1.124 39.131 38.460 -0.755 0.000 1.299 562 Y HN -0.274 nan 8.280 nan 0.000 0.498 563 D N 0.296 120.678 120.400 -0.031 0.000 2.422 563 D HA 0.102 2.035 4.640 -4.511 0.000 0.227 563 D C -0.348 175.910 176.300 -0.070 0.000 1.190 563 D CA 0.170 54.168 54.000 -0.003 0.000 0.905 563 D CB -0.108 40.696 40.800 0.007 0.000 1.034 563 D HN 0.435 nan 8.370 nan 0.000 0.507 564 Y N 1.242 121.533 120.300 -0.015 0.000 2.578 564 Y HA -0.070 1.769 4.550 -4.518 0.000 0.297 564 Y C 2.451 178.301 175.900 -0.083 0.000 1.176 564 Y CA 0.494 58.545 58.100 -0.082 0.000 1.315 564 Y CB 0.096 38.459 38.460 -0.163 0.000 1.031 564 Y HN 0.405 nan 8.280 nan 0.000 0.524 565 S N -0.187 115.550 115.700 0.062 0.000 2.414 565 S HA -0.072 1.691 4.470 -4.511 0.000 0.227 565 S C 0.811 175.413 174.600 0.003 0.000 1.022 565 S CA 0.068 58.286 58.200 0.030 0.000 0.958 565 S CB -0.276 62.942 63.200 0.031 0.000 0.797 565 S HN 0.427 nan 8.310 nan 0.000 0.493 566 K N 1.108 121.497 120.400 -0.018 0.000 2.210 566 K HA 0.687 2.300 4.320 -4.511 0.000 0.236 566 K C -3.213 173.345 176.600 -0.070 0.000 1.016 566 K CA -2.388 53.877 56.287 -0.036 0.000 0.913 566 K CB -0.334 32.146 32.500 -0.033 0.000 1.141 566 K HN -0.127 nan 8.250 nan 0.000 0.462 567 P HA -0.006 nan 4.420 nan 0.000 0.268 567 P C 0.036 177.243 177.300 -0.154 0.000 1.208 567 P CA -0.241 62.803 63.100 -0.093 0.000 0.777 567 P CB 0.366 32.024 31.700 -0.069 0.000 0.875 568 I N 0.976 121.425 120.570 -0.201 0.000 3.419 568 I HA -0.097 1.366 4.170 -4.511 0.000 0.286 568 I C 1.981 177.951 176.117 -0.245 0.000 1.268 568 I CA 0.870 61.970 61.300 -0.333 0.000 1.414 568 I CB -0.501 37.263 38.000 -0.393 0.000 1.074 568 I HN 0.295 nan 8.210 nan 0.000 0.457 569 Q N 1.398 121.110 119.800 -0.147 0.000 1.943 569 Q HA -0.169 1.464 4.340 -4.511 0.000 0.213 569 Q C 0.925 176.877 176.000 -0.081 0.000 1.017 569 Q CA 1.990 57.734 55.803 -0.098 0.000 0.874 569 Q CB -0.733 27.965 28.738 -0.067 0.000 0.960 569 Q HN 0.494 nan 8.270 nan 0.000 0.417 570 G N 1.156 109.919 108.800 -0.061 0.000 3.302 570 G HA2 0.426 1.679 3.960 -4.511 0.000 0.338 570 G HA3 0.426 1.679 3.960 -4.511 0.000 0.338 570 G C -1.029 173.861 174.900 -0.016 0.000 1.405 570 G CA -0.284 44.797 45.100 -0.032 0.000 1.090 570 G HN 0.211 nan 8.290 nan 0.000 0.482 571 Q N 0.497 120.302 119.800 0.008 0.000 2.379 571 Q HA 0.310 1.943 4.340 -4.511 0.000 0.278 571 Q C -0.994 175.086 176.000 0.133 0.000 1.068 571 Q CA -0.828 55.013 55.803 0.063 0.000 0.816 571 Q CB 2.235 31.018 28.738 0.075 0.000 1.387 571 Q HN 0.308 nan 8.270 nan 0.000 0.413 572 Q N 2.360 122.208 119.800 0.079 0.000 2.294 572 Q HA 0.199 1.832 4.340 -4.511 0.000 0.257 572 Q C -0.980 174.979 176.000 -0.069 0.000 0.955 572 Q CA -0.029 55.793 55.803 0.031 0.000 0.936 572 Q CB 1.406 30.143 28.738 -0.001 0.000 1.188 572 Q HN 0.406 nan 8.270 nan 0.000 0.420 573 K N 2.999 123.317 120.400 -0.138 0.000 2.379 573 K HA 0.074 1.687 4.320 -4.511 0.000 0.284 573 K C -0.357 176.063 176.600 -0.300 0.000 1.044 573 K CA -0.072 55.924 56.287 -0.484 0.000 0.974 573 K CB 0.567 32.866 32.500 -0.335 0.000 0.962 573 K HN 0.293 nan 8.250 nan 0.000 0.474 574 K N 5.040 125.227 120.400 -0.356 0.000 2.350 574 K HA 0.131 1.745 4.320 -4.511 0.000 0.279 574 K C -2.256 174.331 176.600 -0.022 0.000 1.027 574 K CA -1.598 54.599 56.287 -0.149 0.000 0.969 574 K CB 0.554 32.985 32.500 -0.116 0.000 0.954 574 K HN 0.463 nan 8.250 nan 0.000 0.474 575 P HA -0.083 nan 4.420 nan 0.000 0.269 575 P C 0.150 177.520 177.300 0.117 0.000 1.217 575 P CA -0.047 63.095 63.100 0.070 0.000 0.783 575 P CB 0.364 32.077 31.700 0.021 0.000 0.898 576 F N 1.612 121.546 119.950 -0.027 0.000 2.126 576 F HA -0.234 1.612 4.527 -4.469 0.000 0.299 576 F C 1.881 177.416 175.800 -0.442 0.000 1.096 576 F CA 1.528 59.420 58.000 -0.180 0.000 1.255 576 F CB -0.089 38.862 39.000 -0.081 0.000 0.997 576 F HN 0.305 nan 8.300 nan 0.000 0.479 577 Q N 0.224 119.910 119.800 -0.190 0.000 2.282 577 Q HA -0.053 1.580 4.340 -4.511 0.000 0.205 577 Q C 0.911 176.656 176.000 -0.425 0.000 0.915 577 Q CA 0.668 56.264 55.803 -0.345 0.000 0.949 577 Q CB -0.000 28.676 28.738 -0.104 0.000 1.035 577 Q HN 0.642 nan 8.270 nan 0.000 0.484 578 E N 0.563 120.510 120.200 -0.420 0.000 2.453 578 E HA 0.006 1.650 4.350 -4.511 0.000 0.211 578 E C 0.319 176.714 176.600 -0.342 0.000 0.897 578 E CA -0.100 56.120 56.400 -0.299 0.000 1.063 578 E CB 0.463 30.092 29.700 -0.119 0.000 1.080 578 E HN 0.564 nan 8.360 nan 0.000 0.512 579 H N -3.175 115.605 119.070 -0.484 0.000 2.810 579 H HA 0.181 2.035 4.556 -4.503 0.000 0.316 579 H C -0.464 174.445 175.328 -0.698 0.000 1.426 579 H CA -0.850 54.947 56.048 -0.419 0.000 1.413 579 H CB 0.308 29.934 29.762 -0.227 0.000 1.874 579 H HN 0.054 nan 8.280 nan 0.000 0.737 580 W N -0.613 120.628 121.300 -0.099 0.000 2.518 580 W HA 0.360 4.854 4.660 -0.278 0.000 0.352 580 W C 0.948 177.428 176.519 -0.064 0.000 0.952 580 W CA -0.496 56.729 57.345 -0.200 0.000 1.624 580 W CB 0.954 30.341 29.460 -0.121 0.000 1.135 580 W HN 0.291 nan 8.180 nan 0.000 0.540 581 R N 3.362 124.046 120.500 0.308 0.000 4.164 581 R HA 0.080 1.714 4.340 -4.511 0.000 0.195 581 R C -0.220 176.130 176.300 0.085 0.000 1.712 581 R CA 0.525 56.751 56.100 0.210 0.000 1.457 581 R CB -0.794 29.626 30.300 0.199 0.000 1.387 581 R HN 0.072 nan 8.270 nan 0.000 0.785 582 K N -0.151 120.237 120.400 -0.019 0.000 2.568 582 K HA 0.252 1.865 4.320 -4.511 0.000 0.273 582 K C -1.165 175.464 176.600 0.048 0.000 0.951 582 K CA -1.022 55.231 56.287 -0.057 0.000 0.854 582 K CB 1.244 33.574 32.500 -0.283 0.000 1.424 582 K HN 0.089 nan 8.250 nan 0.000 0.427 583 H N 1.129 120.333 119.070 0.223 0.000 2.764 583 H HA 0.118 1.969 4.556 -4.509 0.000 0.341 583 H C -0.267 175.264 175.328 0.338 0.000 1.072 583 H CA 0.160 56.334 56.048 0.209 0.000 1.444 583 H CB 1.182 31.009 29.762 0.108 0.000 1.458 583 H HN 0.499 nan 8.280 nan 0.000 0.572 584 T N 5.221 120.049 114.554 0.457 0.000 2.761 584 T HA 0.276 1.919 4.350 -4.511 0.000 0.296 584 T C 0.798 175.506 174.700 0.014 0.000 0.934 584 T CA -0.484 61.788 62.100 0.286 0.000 1.091 584 T CB 0.077 69.142 68.868 0.328 0.000 0.896 584 T HN 0.229 nan 8.240 nan 0.000 0.515 585 L N 4.022 125.123 121.223 -0.203 0.000 2.305 585 L HA 0.480 2.113 4.340 -4.511 0.000 0.284 585 L C 0.359 177.027 176.870 -0.337 0.000 1.013 585 L CA -0.643 54.034 54.840 -0.272 0.000 0.819 585 L CB 1.334 43.226 42.059 -0.279 0.000 1.227 585 L HN 0.673 nan 8.230 nan 0.000 0.417 586 S N 1.907 117.382 115.700 -0.376 0.000 2.482 586 S HA 0.754 2.517 4.470 -4.511 0.000 0.303 586 S C -1.035 173.291 174.600 -0.456 0.000 1.091 586 S CA -0.758 57.264 58.200 -0.296 0.000 1.057 586 S CB 1.334 64.435 63.200 -0.166 0.000 1.031 586 S HN 0.330 nan 8.310 nan 0.000 0.485 587 Y N 0.447 120.679 120.300 -0.114 0.000 2.524 587 Y HA 0.750 2.591 4.550 -4.515 0.000 0.344 587 Y C -0.227 175.586 175.900 -0.145 0.000 1.012 587 Y CA -1.155 56.879 58.100 -0.111 0.000 1.068 587 Y CB 2.083 40.488 38.460 -0.092 0.000 1.249 587 Y HN 0.686 nan 8.280 nan 0.000 0.468 588 V N 2.040 121.960 119.914 0.010 0.000 2.623 588 V HA 0.368 1.782 4.120 -4.511 0.000 0.304 588 V C -1.352 174.691 176.094 -0.085 0.000 1.054 588 V CA -0.682 61.554 62.300 -0.105 0.000 0.882 588 V CB 1.641 33.340 31.823 -0.207 0.000 1.002 588 V HN 0.841 nan 8.190 nan 0.000 0.424 589 D N 4.809 125.144 120.400 -0.107 0.000 2.363 589 D HA 0.146 2.079 4.640 -4.511 0.000 0.263 589 D C 1.048 177.299 176.300 -0.083 0.000 1.258 589 D CA 0.401 54.354 54.000 -0.079 0.000 0.907 589 D CB 1.693 42.446 40.800 -0.078 0.000 1.107 589 D HN 0.350 nan 8.370 nan 0.000 0.495 590 V N 4.991 124.893 119.914 -0.019 0.000 2.490 590 V HA -0.226 1.187 4.120 -4.511 0.000 0.250 590 V C 2.366 178.542 176.094 0.137 0.000 1.061 590 V CA 1.451 63.787 62.300 0.061 0.000 1.064 590 V CB -0.475 31.391 31.823 0.071 0.000 0.670 590 V HN 0.595 nan 8.190 nan 0.000 0.461 591 K N 0.656 121.099 120.400 0.072 0.000 1.965 591 K HA -0.169 1.445 4.320 -4.511 0.000 0.214 591 K C 2.380 179.051 176.600 0.118 0.000 1.046 591 K CA 2.199 58.537 56.287 0.086 0.000 0.944 591 K CB -0.815 31.706 32.500 0.036 0.000 0.726 591 K HN 0.669 nan 8.250 nan 0.000 0.441 592 T N -2.381 112.195 114.554 0.037 0.000 2.904 592 T HA 0.027 1.671 4.350 -4.511 0.000 0.267 592 T C 1.384 176.058 174.700 -0.043 0.000 1.059 592 T CA 1.063 63.173 62.100 0.017 0.000 1.137 592 T CB -0.239 68.614 68.868 -0.025 0.000 0.879 592 T HN 0.478 nan 8.240 nan 0.000 0.467 593 G N 2.268 110.928 108.800 -0.233 0.000 2.171 593 G HA2 -0.240 1.014 3.960 -4.511 0.000 0.238 593 G HA3 -0.240 1.014 3.960 -4.511 0.000 0.238 593 G C -0.190 174.427 174.900 -0.470 0.000 1.039 593 G CA 0.141 44.831 45.100 -0.682 0.000 0.759 593 G HN 1.041 nan 8.290 nan 0.000 0.501 594 K N -0.705 119.504 120.400 -0.318 0.000 2.118 594 K HA 0.744 2.357 4.320 -4.511 0.000 0.267 594 K C -0.210 176.174 176.600 -0.360 0.000 0.991 594 K CA -1.027 55.070 56.287 -0.317 0.000 0.916 594 K CB 2.416 34.807 32.500 -0.181 0.000 1.041 594 K HN 0.143 nan 8.250 nan 0.000 0.455 595 V N 2.836 122.446 119.914 -0.507 0.000 2.347 595 V HA 0.234 1.647 4.120 -4.511 0.000 0.280 595 V C -0.440 175.537 176.094 -0.195 0.000 1.021 595 V CA -0.731 61.328 62.300 -0.401 0.000 0.847 595 V CB 0.825 32.284 31.823 -0.607 0.000 0.990 595 V HN 0.951 nan 8.190 nan 0.000 0.444 596 S N 6.453 122.105 115.700 -0.078 0.000 2.475 596 S HA 0.917 2.681 4.470 -4.511 0.000 0.298 596 S C -0.700 173.941 174.600 0.069 0.000 1.119 596 S CA -0.789 57.408 58.200 -0.005 0.000 1.085 596 S CB 1.669 64.855 63.200 -0.023 0.000 1.028 596 S HN 0.705 nan 8.310 nan 0.000 0.489 597 L N -0.417 120.830 121.223 0.040 0.000 2.388 597 L HA 0.871 2.504 4.340 -4.511 0.000 0.264 597 L C -0.706 176.094 176.870 -0.117 0.000 0.998 597 L CA -0.987 53.833 54.840 -0.035 0.000 0.817 597 L CB 1.693 43.679 42.059 -0.121 0.000 1.338 597 L HN 0.615 nan 8.230 nan 0.000 0.414 598 E N 0.324 120.385 120.200 -0.230 0.000 2.440 598 E HA 0.661 2.304 4.350 -4.511 0.000 0.263 598 E C -1.895 174.362 176.600 -0.571 0.000 0.938 598 E CA -0.786 55.485 56.400 -0.215 0.000 0.831 598 E CB 2.456 32.212 29.700 0.094 0.000 1.456 598 E HN 0.540 nan 8.360 nan 0.000 0.427 599 Y N -0.283 120.088 120.300 0.119 0.000 2.534 599 Y HA 0.446 2.334 4.550 -4.437 0.000 0.345 599 Y C -0.489 175.511 175.900 0.166 0.000 1.031 599 Y CA -1.111 57.075 58.100 0.144 0.000 1.022 599 Y CB 1.975 40.520 38.460 0.142 0.000 1.292 599 Y HN 0.397 nan 8.280 nan 0.000 0.459 600 R N 1.141 121.825 120.500 0.307 0.000 2.795 600 R HA 0.774 2.407 4.340 -4.511 0.000 0.275 600 R C -3.439 173.139 176.300 0.463 0.000 0.981 600 R CA -2.304 53.943 56.100 0.244 0.000 0.917 600 R CB 2.114 32.368 30.300 -0.077 0.000 1.202 600 R HN 0.203 nan 8.270 nan 0.000 0.469 601 P HA 0.028 nan 4.420 nan 0.000 0.274 601 P C -0.282 177.197 177.300 0.299 0.000 1.231 601 P CA -0.636 62.712 63.100 0.413 0.000 0.790 601 P CB 0.782 32.662 31.700 0.300 0.000 0.951 602 V N 0.410 120.423 119.914 0.164 0.000 2.775 602 V HA 0.301 1.715 4.120 -4.511 0.000 0.299 602 V C 0.281 176.489 176.094 0.189 0.000 1.062 602 V CA -0.413 61.953 62.300 0.110 0.000 1.063 602 V CB 0.005 31.798 31.823 -0.049 0.000 0.994 602 V HN 0.276 nan 8.190 nan 0.000 0.483 603 I N 3.038 123.734 120.570 0.209 0.000 2.312 603 I HA 0.287 1.750 4.170 -4.511 0.000 0.291 603 I C 0.474 176.696 176.117 0.175 0.000 1.031 603 I CA -0.004 61.404 61.300 0.180 0.000 1.293 603 I CB 1.009 39.110 38.000 0.169 0.000 1.403 603 I HN 0.681 nan 8.210 nan 0.000 0.484 604 D N 4.411 124.914 120.400 0.172 0.000 2.259 604 D HA -0.016 1.918 4.640 -4.511 0.000 0.216 604 D C 0.511 176.927 176.300 0.194 0.000 0.961 604 D CA 0.772 54.885 54.000 0.188 0.000 0.878 604 D CB 0.286 41.194 40.800 0.180 0.000 1.009 604 D HN 0.480 nan 8.370 nan 0.000 0.490 605 K N 1.242 121.738 120.400 0.160 0.000 2.448 605 K HA 0.208 1.821 4.320 -4.511 0.000 0.278 605 K C 0.602 177.296 176.600 0.156 0.000 1.009 605 K CA -0.065 56.308 56.287 0.143 0.000 0.995 605 K CB 0.484 33.048 32.500 0.106 0.000 0.917 605 K HN -0.045 nan 8.250 nan 0.000 0.481 606 T N -0.097 114.561 114.554 0.172 0.000 2.793 606 T HA 0.152 1.795 4.350 -4.511 0.000 0.299 606 T C 1.287 176.055 174.700 0.114 0.000 1.038 606 T CA -0.764 61.467 62.100 0.219 0.000 0.948 606 T CB 0.305 69.330 68.868 0.262 0.000 1.231 606 T HN 0.565 nan 8.240 nan 0.000 0.538 607 L N 0.045 121.306 121.223 0.064 0.000 2.240 607 L HA 0.229 1.862 4.340 -4.511 0.000 0.211 607 L C 0.876 177.725 176.870 -0.033 0.000 1.106 607 L CA 0.767 55.485 54.840 -0.203 0.000 0.793 607 L CB -0.363 41.318 42.059 -0.629 0.000 0.927 607 L HN 0.665 nan 8.230 nan 0.000 0.446 608 N N -0.990 117.806 118.700 0.160 0.000 2.578 608 N HA 0.038 2.071 4.740 -4.511 0.000 0.282 608 N C 0.182 175.773 175.510 0.135 0.000 1.119 608 N CA -0.217 52.921 53.050 0.147 0.000 0.948 608 N CB 1.379 39.959 38.487 0.154 0.000 1.546 608 N HN -0.120 nan 8.380 nan 0.000 0.525 609 E N 3.267 123.512 120.200 0.076 0.000 2.110 609 E HA 0.022 1.665 4.350 -4.511 0.000 0.193 609 E C 1.415 178.024 176.600 0.016 0.000 0.988 609 E CA 1.920 58.346 56.400 0.042 0.000 0.804 609 E CB -0.041 29.683 29.700 0.042 0.000 0.745 609 E HN 0.653 nan 8.360 nan 0.000 0.458 610 A N 0.093 122.930 122.820 0.028 0.000 1.969 610 A HA -0.141 1.472 4.320 -4.511 0.000 0.218 610 A C 1.991 179.579 177.584 0.007 0.000 1.169 610 A CA 1.835 53.881 52.037 0.015 0.000 0.635 610 A CB -0.503 18.512 19.000 0.024 0.000 0.810 610 A HN 0.349 nan 8.150 nan 0.000 0.445 611 D N -2.392 118.029 120.400 0.035 0.000 2.277 611 D HA 0.036 1.969 4.640 -4.511 0.000 0.209 611 D C -0.004 176.241 176.300 -0.092 0.000 0.970 611 D CA 0.737 54.761 54.000 0.039 0.000 0.874 611 D CB 0.302 41.208 40.800 0.175 0.000 0.982 611 D HN 0.250 nan 8.370 nan 0.000 0.504 612 C N 1.227 120.435 119.300 -0.154 0.000 2.781 612 C HA 0.796 2.549 4.460 -4.511 0.000 0.348 612 C C -0.378 174.448 174.990 -0.273 0.000 1.051 612 C CA -0.748 58.028 59.018 -0.403 0.000 1.347 612 C CB -0.441 26.772 27.740 -0.878 0.000 1.846 612 C HN 0.326 nan 8.230 nan 0.000 0.473 613 A N 4.688 127.409 122.820 -0.165 0.000 2.425 613 A HA 0.571 2.184 4.320 -4.511 0.000 0.249 613 A C 0.664 178.293 177.584 0.076 0.000 1.084 613 A CA 0.286 52.300 52.037 -0.039 0.000 0.781 613 A CB 0.208 19.182 19.000 -0.043 0.000 1.019 613 A HN 0.910 nan 8.150 nan 0.000 0.490 614 T N 1.691 116.325 114.554 0.134 0.000 2.934 614 T HA 0.302 1.945 4.350 -4.511 0.000 0.306 614 T C 0.156 175.025 174.700 0.281 0.000 1.042 614 T CA 0.068 62.317 62.100 0.247 0.000 1.145 614 T CB 0.254 69.236 68.868 0.190 0.000 0.982 614 T HN 0.424 nan 8.240 nan 0.000 0.544 615 V N 7.323 127.470 119.914 0.390 0.000 2.311 615 V HA 0.274 1.687 4.120 -4.511 0.000 0.275 615 V C -1.753 174.591 176.094 0.417 0.000 1.022 615 V CA -1.919 60.622 62.300 0.401 0.000 0.830 615 V CB 0.625 32.729 31.823 0.468 0.000 1.012 615 V HN 0.753 nan 8.190 nan 0.000 0.452 616 P HA 0.258 nan 4.420 nan 0.000 0.272 616 P C -2.731 174.303 177.300 -0.444 0.000 1.230 616 P CA -1.693 61.401 63.100 -0.010 0.000 0.788 616 P CB 0.031 31.738 31.700 0.013 0.000 0.949 617 P HA 0.181 nan 4.420 nan 0.000 0.267 617 P C -0.505 175.955 177.300 -1.399 0.000 1.200 617 P CA 0.719 62.445 63.100 -2.290 0.000 0.772 617 P CB 0.207 30.600 31.700 -2.179 0.000 0.855 618 A N 2.668 124.651 122.820 -1.394 0.000 2.533 618 A HA 0.613 2.226 4.320 -4.511 0.000 0.293 618 A C -0.757 176.633 177.584 -0.323 0.000 1.228 618 A CA -0.816 50.910 52.037 -0.517 0.000 0.689 618 A CB 0.442 19.317 19.000 -0.208 0.000 1.303 618 A HN 0.409 nan 8.150 nan 0.000 0.444 619 I N 0.847 121.362 120.570 -0.092 0.000 2.668 619 I HA 0.192 1.655 4.170 -4.511 0.000 0.285 619 I C 0.727 176.879 176.117 0.058 0.000 1.168 619 I CA 0.317 61.614 61.300 -0.005 0.000 1.424 619 I CB 0.353 38.363 38.000 0.016 0.000 1.377 619 I HN 0.577 nan 8.210 nan 0.000 0.560 620 R N 6.040 126.606 120.500 0.109 0.000 2.233 620 R HA 0.435 2.068 4.340 -4.511 0.000 0.334 620 R C -1.034 175.334 176.300 0.113 0.000 1.037 620 R CA -0.122 56.079 56.100 0.168 0.000 0.920 620 R CB 0.494 30.952 30.300 0.263 0.000 1.137 620 R HN 0.775 nan 8.270 nan 0.000 0.492 621 S N 2.330 118.047 115.700 0.028 0.000 2.542 621 S HA 0.458 2.221 4.470 -4.511 0.000 0.276 621 S C -1.310 173.247 174.600 -0.071 0.000 1.148 621 S CA -0.910 57.327 58.200 0.062 0.000 0.886 621 S CB 0.653 63.894 63.200 0.069 0.000 1.109 621 S HN 0.371 nan 8.310 nan 0.000 0.458 622 Y N 0.000 120.333 120.300 0.056 0.000 2.660 622 Y HA 0.000 1.842 4.550 -4.514 0.000 0.201 622 Y CA 0.000 58.123 58.100 0.039 0.000 1.940 622 Y CB 0.000 38.471 38.460 0.019 0.000 1.050 622 Y HN 0.000 nan 8.280 nan 0.000 0.758