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 3abv_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 0.000 174.649 174.600 0.082 0.000 1.055 10 S CA 0.000 58.279 58.200 0.132 0.000 1.107 10 S CB 0.000 63.267 63.200 0.112 0.000 0.593 11 T N 0.053 114.642 114.554 0.058 0.000 7.776 11 T HA -0.321 0.152 4.350 -6.462 0.000 0.302 11 T C 1.179 175.867 174.700 -0.020 0.000 2.093 11 T CA 2.071 64.181 62.100 0.016 0.000 3.360 11 T CB -0.922 67.949 68.868 0.004 0.000 1.793 11 T HN 0.577 nan 8.240 nan 0.000 1.076 12 Q N -0.222 119.556 119.800 -0.037 0.000 2.349 12 Q HA 0.284 0.747 4.340 -6.462 0.000 0.209 12 Q C -0.210 175.573 176.000 -0.362 0.000 0.920 12 Q CA 0.599 56.261 55.803 -0.234 0.000 0.901 12 Q CB 0.510 29.038 28.738 -0.350 0.000 1.021 12 Q HN 0.713 nan 8.270 nan 0.000 0.519 13 Y N 1.115 121.428 120.300 0.021 0.000 2.328 13 Y HA 0.449 1.123 4.550 -6.461 0.000 0.337 13 Y C -2.073 173.824 175.900 -0.006 0.000 0.966 13 Y CA -2.994 55.112 58.100 0.011 0.000 1.136 13 Y CB 1.212 39.680 38.460 0.014 0.000 1.170 13 Y HN 0.066 nan 8.280 nan 0.000 0.470 14 P HA 0.081 nan 4.420 nan 0.000 0.270 14 P C -0.883 176.420 177.300 0.005 0.000 1.242 14 P CA -0.292 62.830 63.100 0.037 0.000 0.768 14 P CB 0.326 32.032 31.700 0.011 0.000 0.820 15 V N 2.750 122.668 119.914 0.006 0.000 2.368 15 V HA 0.347 0.590 4.120 -6.462 0.000 0.266 15 V C 0.039 176.106 176.094 -0.046 0.000 1.045 15 V CA -0.636 61.656 62.300 -0.014 0.000 0.899 15 V CB 1.082 32.914 31.823 0.015 0.000 1.006 15 V HN 0.169 nan 8.190 nan 0.000 0.470 16 V N 4.134 123.992 119.914 -0.093 0.000 2.350 16 V HA 0.412 0.655 4.120 -6.462 0.000 0.285 16 V C -0.587 175.498 176.094 -0.014 0.000 1.014 16 V CA -0.362 61.888 62.300 -0.083 0.000 0.831 16 V CB 1.229 32.985 31.823 -0.112 0.000 1.000 16 V HN 0.872 nan 8.190 nan 0.000 0.433 17 D N 3.383 123.748 120.400 -0.059 0.000 2.280 17 D HA 0.394 1.157 4.640 -6.462 0.000 0.243 17 D C -0.074 176.173 176.300 -0.089 0.000 1.129 17 D CA 0.025 54.026 54.000 0.002 0.000 0.848 17 D CB 0.530 41.338 40.800 0.013 0.000 1.107 17 D HN 0.525 nan 8.370 nan 0.000 0.471 18 H N 1.165 120.342 119.070 0.179 0.000 2.492 18 H HA 0.376 1.055 4.556 -6.461 0.000 0.345 18 H C -0.425 174.981 175.328 0.131 0.000 1.136 18 H CA -0.525 55.648 56.048 0.209 0.000 1.202 18 H CB 2.005 32.045 29.762 0.463 0.000 1.524 18 H HN 0.389 nan 8.280 nan 0.000 0.506 19 E N 2.516 122.738 120.200 0.036 0.000 2.176 19 E HA 0.416 0.889 4.350 -6.462 0.000 0.267 19 E C -1.444 174.972 176.600 -0.307 0.000 0.893 19 E CA -0.425 55.952 56.400 -0.038 0.000 0.761 19 E CB 1.100 30.761 29.700 -0.066 0.000 1.133 19 E HN 0.313 nan 8.360 nan 0.000 0.409 20 F N 1.357 121.339 119.950 0.054 0.000 2.664 20 F HA 0.223 0.873 4.527 -6.461 0.000 0.317 20 F C 0.870 176.698 175.800 0.046 0.000 1.108 20 F CA -0.766 57.261 58.000 0.045 0.000 0.957 20 F CB 1.658 40.666 39.000 0.014 0.000 1.365 20 F HN 0.404 nan 8.300 nan 0.000 0.475 21 D N 0.592 121.168 120.400 0.294 0.000 2.137 21 D HA 0.227 0.990 4.640 -6.462 0.000 0.202 21 D C 0.053 176.463 176.300 0.184 0.000 0.970 21 D CA 1.167 55.317 54.000 0.250 0.000 0.837 21 D CB 0.316 41.334 40.800 0.364 0.000 0.981 21 D HN 0.435 nan 8.370 nan 0.000 0.475 22 A N -0.238 122.661 122.820 0.132 0.000 2.520 22 A HA 0.570 1.013 4.320 -6.462 0.000 0.298 22 A C -1.278 176.236 177.584 -0.116 0.000 1.051 22 A CA -0.581 51.438 52.037 -0.030 0.000 0.690 22 A CB 1.803 20.711 19.000 -0.154 0.000 1.281 22 A HN -0.123 nan 8.150 nan 0.000 0.402 23 V N 1.666 121.484 119.914 -0.161 0.000 2.448 23 V HA 0.543 0.786 4.120 -6.462 0.000 0.295 23 V C -0.368 175.594 176.094 -0.219 0.000 1.025 23 V CA -0.652 61.495 62.300 -0.255 0.000 0.859 23 V CB 1.483 33.155 31.823 -0.251 0.000 0.988 23 V HN 0.677 nan 8.190 nan 0.000 0.431 24 V N 5.274 125.041 119.914 -0.246 0.000 2.398 24 V HA 0.406 0.650 4.120 -6.462 0.000 0.286 24 V C -0.092 175.892 176.094 -0.184 0.000 1.026 24 V CA -0.562 61.624 62.300 -0.191 0.000 0.868 24 V CB 1.917 33.632 31.823 -0.181 0.000 0.982 24 V HN 0.638 nan 8.190 nan 0.000 0.443 25 V N 4.258 124.084 119.914 -0.147 0.000 2.294 25 V HA 0.875 1.118 4.120 -6.462 0.000 0.272 25 V C 0.545 176.575 176.094 -0.107 0.000 1.027 25 V CA 0.219 62.436 62.300 -0.139 0.000 0.823 25 V CB 0.581 32.321 31.823 -0.139 0.000 1.030 25 V HN 1.222 nan 8.190 nan 0.000 0.457 26 G N 3.810 112.557 108.800 -0.089 0.000 2.873 26 G HA2 0.399 0.482 3.960 -6.462 0.000 0.507 26 G HA3 0.399 0.482 3.960 -6.462 0.000 0.507 26 G C -0.321 174.564 174.900 -0.026 0.000 1.440 26 G CA -0.209 44.855 45.100 -0.060 0.000 1.016 26 G HN 1.157 nan 8.290 nan 0.000 0.615 27 A N 1.385 124.198 122.820 -0.012 0.000 2.713 27 A HA 0.773 1.216 4.320 -6.462 0.000 0.296 27 A C 1.428 179.007 177.584 -0.009 0.000 1.255 27 A CA 1.117 53.161 52.037 0.012 0.000 0.955 27 A CB -0.182 18.817 19.000 -0.000 0.000 1.149 27 A HN 1.961 nan 8.150 nan 0.000 0.538 28 G N -0.427 108.375 108.800 0.003 0.000 2.514 28 G HA2 0.373 0.456 3.960 -6.462 0.000 0.245 28 G HA3 0.373 0.456 3.960 -6.462 0.000 0.245 28 G C 1.159 176.084 174.900 0.042 0.000 1.488 28 G CA 0.272 45.383 45.100 0.020 0.000 1.063 28 G HN 0.488 nan 8.290 nan 0.000 0.557 29 G N -0.210 108.627 108.800 0.063 0.000 2.434 29 G HA2 0.102 0.185 3.960 -6.462 0.000 0.214 29 G HA3 0.102 0.185 3.960 -6.462 0.000 0.214 29 G C 2.037 176.982 174.900 0.075 0.000 1.202 29 G CA 1.903 47.054 45.100 0.085 0.000 0.788 29 G HN 0.884 nan 8.290 nan 0.000 0.539 30 A N 0.968 123.828 122.820 0.067 0.000 1.877 30 A HA 0.131 0.574 4.320 -6.462 0.000 0.216 30 A C 2.732 180.315 177.584 -0.002 0.000 1.186 30 A CA 2.256 54.322 52.037 0.047 0.000 0.620 30 A CB -1.310 17.732 19.000 0.070 0.000 0.822 30 A HN 0.603 nan 8.150 nan 0.000 0.443 31 G N -0.053 108.748 108.800 0.002 0.000 2.553 31 G HA2 -0.232 -0.149 3.960 -6.462 0.000 0.218 31 G HA3 -0.232 -0.149 3.960 -6.462 0.000 0.218 31 G C 1.414 176.301 174.900 -0.020 0.000 1.195 31 G CA 1.429 46.517 45.100 -0.019 0.000 0.779 31 G HN 0.339 nan 8.290 nan 0.000 0.577 32 L N 0.520 121.769 121.223 0.043 0.000 1.989 32 L HA -0.030 0.433 4.340 -6.462 0.000 0.211 32 L C 2.832 179.634 176.870 -0.113 0.000 1.071 32 L CA 1.985 56.900 54.840 0.125 0.000 0.749 32 L CB -1.036 41.167 42.059 0.239 0.000 0.890 32 L HN 0.227 nan 8.230 nan 0.000 0.431 33 R N -0.167 120.206 120.500 -0.212 0.000 2.091 33 R HA -0.143 0.320 4.340 -6.462 0.000 0.238 33 R C 2.134 178.046 176.300 -0.646 0.000 1.136 33 R CA 1.751 57.491 56.100 -0.600 0.000 0.959 33 R CB -0.760 29.422 30.300 -0.197 0.000 0.856 33 R HN 0.378 nan 8.270 nan 0.000 0.437 34 A N 0.107 122.724 122.820 -0.339 0.000 1.877 34 A HA -0.019 0.424 4.320 -6.462 0.000 0.216 34 A C 2.387 179.775 177.584 -0.327 0.000 1.186 34 A CA 1.825 53.685 52.037 -0.294 0.000 0.620 34 A CB -1.202 17.684 19.000 -0.188 0.000 0.822 34 A HN 0.491 nan 8.150 nan 0.000 0.443 35 A N 0.083 122.749 122.820 -0.257 0.000 1.841 35 A HA -0.057 0.386 4.320 -6.462 0.000 0.216 35 A C 2.018 179.493 177.584 -0.182 0.000 1.199 35 A CA 1.956 53.878 52.037 -0.191 0.000 0.621 35 A CB -1.077 17.878 19.000 -0.075 0.000 0.835 35 A HN 1.151 nan 8.150 nan 0.000 0.445 36 F N 0.217 120.094 119.950 -0.123 0.000 2.456 36 F HA 0.263 0.913 4.527 -6.461 0.000 0.298 36 F C 1.936 177.487 175.800 -0.415 0.000 1.104 36 F CA 0.484 58.327 58.000 -0.261 0.000 1.435 36 F CB -1.148 37.758 39.000 -0.156 0.000 1.078 36 F HN 0.105 nan 8.300 nan 0.000 0.546 37 G N 1.697 110.102 108.800 -0.658 0.000 2.422 37 G HA2 -0.161 -0.078 3.960 -6.462 0.000 0.218 37 G HA3 -0.161 -0.078 3.960 -6.462 0.000 0.218 37 G C 1.733 176.484 174.900 -0.249 0.000 1.146 37 G CA 1.074 45.926 45.100 -0.413 0.000 0.769 37 G HN 0.466 nan 8.290 nan 0.000 0.547 38 L N 0.515 121.583 121.223 -0.258 0.000 2.027 38 L HA -0.062 0.401 4.340 -6.462 0.000 0.206 38 L C 3.181 180.049 176.870 -0.003 0.000 1.074 38 L CA 1.190 55.914 54.840 -0.193 0.000 0.745 38 L CB -0.306 41.592 42.059 -0.269 0.000 0.898 38 L HN 0.169 nan 8.230 nan 0.000 0.433 39 S N -0.817 114.846 115.700 -0.062 0.000 2.399 39 S HA -0.228 0.365 4.470 -6.462 0.000 0.231 39 S C 1.859 176.445 174.600 -0.023 0.000 1.022 39 S CA 1.190 59.391 58.200 0.000 0.000 0.983 39 S CB -0.162 63.036 63.200 -0.003 0.000 0.803 39 S HN 0.393 nan 8.310 nan 0.000 0.480 40 E N 0.997 121.071 120.200 -0.209 0.000 2.106 40 E HA -0.081 0.392 4.350 -6.462 0.000 0.192 40 E C 1.690 178.329 176.600 0.065 0.000 0.984 40 E CA 0.896 57.237 56.400 -0.098 0.000 0.806 40 E CB -0.143 29.465 29.700 -0.155 0.000 0.750 40 E HN 0.483 nan 8.360 nan 0.000 0.458 41 A N 0.047 122.923 122.820 0.095 0.000 2.252 41 A HA 0.206 0.650 4.320 -6.462 0.000 0.207 41 A C 1.372 179.047 177.584 0.151 0.000 1.194 41 A CA 0.863 53.005 52.037 0.175 0.000 0.809 41 A CB -0.519 18.643 19.000 0.271 0.000 0.814 41 A HN 0.410 nan 8.150 nan 0.000 0.482 42 G N -1.788 107.074 108.800 0.104 0.000 2.171 42 G HA2 -0.237 -0.154 3.960 -6.462 0.000 0.238 42 G HA3 -0.237 -0.154 3.960 -6.462 0.000 0.238 42 G C -0.225 174.604 174.900 -0.119 0.000 1.039 42 G CA -0.004 45.090 45.100 -0.011 0.000 0.759 42 G HN 0.315 nan 8.290 nan 0.000 0.501 43 F N 0.513 120.460 119.950 -0.005 0.000 2.420 43 F HA 0.379 1.029 4.527 -6.461 0.000 0.342 43 F C 0.913 176.730 175.800 0.029 0.000 1.113 43 F CA -0.922 57.078 58.000 -0.001 0.000 1.059 43 F CB 1.319 40.299 39.000 -0.034 0.000 1.128 43 F HN 0.118 nan 8.300 nan 0.000 0.475 44 N N 2.826 121.656 118.700 0.217 0.000 2.434 44 N HA 0.044 0.907 4.740 -6.462 0.000 0.273 44 N C -1.030 174.686 175.510 0.343 0.000 1.210 44 N CA -0.035 53.156 53.050 0.234 0.000 0.992 44 N CB 0.227 38.810 38.487 0.161 0.000 1.355 44 N HN 0.559 nan 8.380 nan 0.000 0.495 45 T N 1.725 116.410 114.554 0.219 0.000 2.824 45 T HA 0.531 1.004 4.350 -6.462 0.000 0.280 45 T C -0.137 174.437 174.700 -0.210 0.000 0.995 45 T CA -0.685 61.427 62.100 0.020 0.000 1.009 45 T CB 1.749 70.573 68.868 -0.073 0.000 0.955 45 T HN 0.475 nan 8.240 nan 0.000 0.452 46 A N 1.236 123.695 122.820 -0.602 0.000 2.324 46 A HA 0.666 1.109 4.320 -6.462 0.000 0.330 46 A C -0.158 177.097 177.584 -0.548 0.000 1.165 46 A CA -0.743 50.794 52.037 -0.833 0.000 0.813 46 A CB 0.737 18.754 19.000 -1.639 0.000 1.197 46 A HN 0.980 nan 8.150 nan 0.000 0.484 47 C N 3.332 122.362 119.300 -0.450 0.000 2.316 47 C HA 0.651 1.234 4.460 -6.462 0.000 0.324 47 C C -0.643 174.246 174.990 -0.168 0.000 1.226 47 C CA -0.329 58.500 59.018 -0.315 0.000 1.450 47 C CB -0.585 26.960 27.740 -0.325 0.000 2.123 47 C HN 0.674 nan 8.230 nan 0.000 0.454 48 V N 5.912 125.697 119.914 -0.214 0.000 2.394 48 V HA 0.717 0.960 4.120 -6.462 0.000 0.282 48 V C 0.437 176.489 176.094 -0.070 0.000 1.031 48 V CA 0.056 62.252 62.300 -0.173 0.000 0.881 48 V CB 1.492 33.136 31.823 -0.298 0.000 0.982 48 V HN 0.931 nan 8.190 nan 0.000 0.451 49 T N 3.491 118.056 114.554 0.017 0.000 2.993 49 T HA 0.351 0.824 4.350 -6.462 0.000 0.312 49 T C 0.448 175.184 174.700 0.061 0.000 1.115 49 T CA -0.648 61.461 62.100 0.015 0.000 1.027 49 T CB 1.573 70.455 68.868 0.022 0.000 1.116 49 T HN 0.856 nan 8.240 nan 0.000 0.464 50 K N 3.995 124.396 120.400 0.002 0.000 2.444 50 K HA 0.356 0.799 4.320 -6.462 0.000 0.193 50 K C 0.159 176.808 176.600 0.082 0.000 1.024 50 K CA 0.103 56.408 56.287 0.030 0.000 1.077 50 K CB 0.015 32.480 32.500 -0.057 0.000 0.833 50 K HN 0.438 nan 8.250 nan 0.000 0.517 51 L N 0.357 121.632 121.223 0.086 0.000 2.309 51 L HA 0.440 0.903 4.340 -6.462 0.000 0.261 51 L C -0.504 176.450 176.870 0.140 0.000 1.021 51 L CA -1.606 53.316 54.840 0.136 0.000 0.823 51 L CB 1.074 43.195 42.059 0.104 0.000 1.366 51 L HN -0.113 nan 8.230 nan 0.000 0.423 52 F N 2.661 122.633 119.950 0.037 0.000 2.578 52 F HA 0.171 0.821 4.527 -6.461 0.000 0.376 52 F C -1.534 174.186 175.800 -0.134 0.000 1.085 52 F CA -1.180 56.794 58.000 -0.043 0.000 1.260 52 F CB 0.832 39.795 39.000 -0.061 0.000 1.095 52 F HN 0.288 nan 8.300 nan 0.000 0.573 53 P HA -0.214 nan 4.420 nan 0.000 0.218 53 P C 1.620 178.574 177.300 -0.577 0.000 1.154 53 P CA 2.360 65.037 63.100 -0.706 0.000 0.872 53 P CB -0.029 31.140 31.700 -0.886 0.000 0.790 54 T N -0.639 113.468 114.554 -0.744 0.000 2.803 54 T HA -0.127 0.346 4.350 -6.462 0.000 0.269 54 T C 1.550 176.195 174.700 -0.092 0.000 1.052 54 T CA 1.044 62.904 62.100 -0.400 0.000 1.136 54 T CB -0.400 68.294 68.868 -0.289 0.000 0.864 54 T HN 0.082 nan 8.240 nan 0.000 0.467 55 R N 1.641 122.162 120.500 0.034 0.000 2.276 55 R HA 0.198 0.661 4.340 -6.462 0.000 0.203 55 R C 1.073 177.415 176.300 0.069 0.000 1.017 55 R CA 0.028 56.183 56.100 0.092 0.000 1.010 55 R CB -0.697 29.692 30.300 0.148 0.000 0.900 55 R HN 0.263 nan 8.270 nan 0.000 0.469 56 S N 1.187 116.898 115.700 0.018 0.000 2.563 56 S HA -0.055 0.538 4.470 -6.462 0.000 0.284 56 S C 1.134 175.793 174.600 0.099 0.000 1.331 56 S CA -0.237 57.989 58.200 0.044 0.000 1.047 56 S CB 0.653 63.853 63.200 0.001 0.000 0.859 56 S HN 0.368 nan 8.310 nan 0.000 0.514 57 H N 2.625 121.700 119.070 0.010 0.000 2.400 57 H HA -0.158 0.521 4.556 -6.461 0.000 0.295 57 H C 2.391 177.736 175.328 0.028 0.000 1.118 57 H CA 2.348 58.405 56.048 0.014 0.000 1.256 57 H CB -0.523 29.233 29.762 -0.011 0.000 1.365 57 H HN 0.762 nan 8.280 nan 0.000 0.502 58 T N -1.277 113.337 114.554 0.099 0.000 3.077 58 T HA -0.106 0.367 4.350 -6.462 0.000 0.269 58 T C 1.987 176.692 174.700 0.008 0.000 1.146 58 T CA 1.203 63.336 62.100 0.054 0.000 1.091 58 T CB -1.048 67.868 68.868 0.080 0.000 0.892 58 T HN 0.271 nan 8.240 nan 0.000 0.533 59 V N -0.124 119.792 119.914 0.003 0.000 2.427 59 V HA 0.141 0.384 4.120 -6.462 0.000 0.248 59 V C 3.019 179.119 176.094 0.009 0.000 1.051 59 V CA 1.183 63.518 62.300 0.058 0.000 1.048 59 V CB -1.832 30.058 31.823 0.111 0.000 0.666 59 V HN 0.541 nan 8.190 nan 0.000 0.456 60 A N 0.847 123.571 122.820 -0.160 0.000 2.172 60 A HA 0.410 0.853 4.320 -6.462 0.000 0.216 60 A C 1.566 179.072 177.584 -0.130 0.000 1.154 60 A CA 0.824 52.728 52.037 -0.221 0.000 0.701 60 A CB -0.939 17.742 19.000 -0.531 0.000 0.789 60 A HN 1.004 nan 8.150 nan 0.000 0.465 61 A N -1.033 121.745 122.820 -0.069 0.000 2.498 61 A HA 0.395 0.838 4.320 -6.462 0.000 0.239 61 A C 0.749 178.356 177.584 0.039 0.000 1.068 61 A CA 0.561 52.606 52.037 0.015 0.000 0.766 61 A CB 0.261 19.289 19.000 0.047 0.000 1.003 61 A HN 0.586 nan 8.150 nan 0.000 0.497 62 Q N 1.403 121.244 119.800 0.067 0.000 2.536 62 Q HA 0.118 0.581 4.340 -6.462 0.000 0.212 62 Q C 1.985 178.055 176.000 0.118 0.000 0.743 62 Q CA 0.471 56.318 55.803 0.074 0.000 0.929 62 Q CB 0.212 28.984 28.738 0.058 0.000 1.313 62 Q HN 0.877 nan 8.270 nan 0.000 0.524 63 G N 0.640 109.547 108.800 0.179 0.000 2.637 63 G HA2 0.229 0.312 3.960 -6.462 0.000 0.215 63 G HA3 0.229 0.312 3.960 -6.462 0.000 0.215 63 G C 0.563 175.479 174.900 0.027 0.000 1.289 63 G CA 1.042 46.294 45.100 0.255 0.000 0.816 63 G HN 0.463 nan 8.290 nan 0.000 0.580 64 G N -1.599 107.117 108.800 -0.139 0.000 2.341 64 G HA2 0.406 0.489 3.960 -6.462 0.000 0.299 64 G HA3 0.406 0.489 3.960 -6.462 0.000 0.299 64 G C -1.888 172.953 174.900 -0.099 0.000 1.274 64 G CA -0.255 44.787 45.100 -0.097 0.000 0.853 64 G HN 0.758 nan 8.290 nan 0.000 0.493 65 I N 0.921 121.483 120.570 -0.013 0.000 2.468 65 I HA 0.403 0.696 4.170 -6.462 0.000 0.285 65 I C -1.003 175.100 176.117 -0.024 0.000 1.039 65 I CA -1.030 60.281 61.300 0.019 0.000 1.074 65 I CB 1.506 39.583 38.000 0.128 0.000 1.228 65 I HN 0.343 nan 8.210 nan 0.000 0.436 66 N N 6.660 125.329 118.700 -0.051 0.000 2.470 66 N HA 0.541 1.404 4.740 -6.462 0.000 0.268 66 N C -0.708 174.783 175.510 -0.032 0.000 1.136 66 N CA -0.008 52.977 53.050 -0.108 0.000 0.961 66 N CB 1.684 40.071 38.487 -0.166 0.000 1.067 66 N HN 0.671 nan 8.380 nan 0.000 0.468 67 A N 0.789 123.545 122.820 -0.105 0.000 2.517 67 A HA 0.640 1.083 4.320 -6.462 0.000 0.297 67 A C -0.337 177.206 177.584 -0.069 0.000 1.050 67 A CA -0.790 51.224 52.037 -0.038 0.000 0.694 67 A CB 1.009 19.970 19.000 -0.065 0.000 1.277 67 A HN 0.555 nan 8.150 nan 0.000 0.400 68 A N 2.359 125.191 122.820 0.020 0.000 3.074 68 A HA 0.430 0.873 4.320 -6.462 0.000 0.251 68 A C 0.893 178.468 177.584 -0.014 0.000 1.695 68 A CA -0.097 51.949 52.037 0.015 0.000 1.343 68 A CB -1.069 17.999 19.000 0.115 0.000 1.078 68 A HN 0.876 nan 8.150 nan 0.000 0.644 69 L N 0.246 121.437 121.223 -0.054 0.000 2.362 69 L HA -0.012 0.451 4.340 -6.462 0.000 0.219 69 L C 1.800 178.636 176.870 -0.057 0.000 1.134 69 L CA 0.792 55.590 54.840 -0.069 0.000 0.807 69 L CB -0.270 41.725 42.059 -0.108 0.000 0.927 69 L HN 0.764 nan 8.230 nan 0.000 0.447 70 G N 0.610 109.382 108.800 -0.046 0.000 2.350 70 G HA2 -0.301 -0.218 3.960 -6.462 0.000 0.298 70 G HA3 -0.301 -0.218 3.960 -6.462 0.000 0.298 70 G C 0.530 175.408 174.900 -0.037 0.000 1.037 70 G CA 0.514 45.594 45.100 -0.033 0.000 1.074 70 G HN 0.329 nan 8.290 nan 0.000 0.511 71 N N -0.458 118.213 118.700 -0.048 0.000 2.336 71 N HA 0.094 0.957 4.740 -6.462 0.000 0.177 71 N C 2.420 177.904 175.510 -0.044 0.000 1.018 71 N CA 1.142 54.163 53.050 -0.049 0.000 0.878 71 N CB -0.090 38.358 38.487 -0.065 0.000 0.997 71 N HN 0.480 nan 8.380 nan 0.000 0.433 72 M N 0.324 119.891 119.600 -0.056 0.000 2.429 72 M HA 0.109 0.712 4.480 -6.462 0.000 0.265 72 M C 0.790 177.047 176.300 -0.071 0.000 1.120 72 M CA 0.894 56.144 55.300 -0.083 0.000 1.173 72 M CB -0.366 32.144 32.600 -0.149 0.000 1.343 72 M HN 0.111 nan 8.290 nan 0.000 0.464 73 E N 1.139 121.321 120.200 -0.030 0.000 2.442 73 E HA 0.297 0.771 4.350 -6.462 0.000 0.261 73 E C -1.116 175.501 176.600 0.028 0.000 0.935 73 E CA -0.613 55.788 56.400 0.003 0.000 0.856 73 E CB 0.882 30.599 29.700 0.028 0.000 1.571 73 E HN 0.254 nan 8.360 nan 0.000 0.431 74 E N 1.083 121.317 120.200 0.057 0.000 2.289 74 E HA 0.396 0.869 4.350 -6.462 0.000 0.278 74 E C -0.770 175.887 176.600 0.096 0.000 1.032 74 E CA -0.283 56.147 56.400 0.050 0.000 0.854 74 E CB 0.867 30.596 29.700 0.049 0.000 1.046 74 E HN 0.368 nan 8.360 nan 0.000 0.409 75 D N 1.434 121.812 120.400 -0.037 0.000 2.523 75 D HA 0.337 1.100 4.640 -6.462 0.000 0.236 75 D C -1.387 174.633 176.300 -0.467 0.000 1.094 75 D CA -0.731 53.208 54.000 -0.102 0.000 0.942 75 D CB 1.788 42.587 40.800 -0.001 0.000 1.447 75 D HN 0.389 nan 8.370 nan 0.000 0.479 76 N N 1.510 119.748 118.700 -0.770 0.000 2.310 76 N HA 0.090 0.953 4.740 -6.462 0.000 0.292 76 N C 1.065 176.270 175.510 -0.509 0.000 1.049 76 N CA -0.662 51.845 53.050 -0.905 0.000 0.849 76 N CB 1.066 38.474 38.487 -1.800 0.000 1.532 76 N HN 0.629 nan 8.380 nan 0.000 0.479 77 W N 4.403 125.548 121.300 -0.258 0.000 2.364 77 W HA -0.085 0.697 4.660 -6.463 0.000 0.281 77 W C 0.666 177.179 176.519 -0.010 0.000 1.219 77 W CA 0.329 57.635 57.345 -0.067 0.000 1.220 77 W CB -0.427 29.000 29.460 -0.055 0.000 1.127 77 W HN 0.473 nan 8.180 nan 0.000 0.556 78 R N -0.446 119.514 120.500 -0.901 0.000 2.152 78 R HA -0.136 0.327 4.340 -6.462 0.000 0.232 78 R C 2.045 178.284 176.300 -0.101 0.000 1.117 78 R CA 1.977 57.652 56.100 -0.709 0.000 0.981 78 R CB -0.624 29.154 30.300 -0.871 0.000 0.870 78 R HN 0.129 nan 8.270 nan 0.000 0.451 79 W N -0.054 121.011 121.300 -0.392 0.000 2.418 79 W HA -0.057 0.725 4.660 -6.462 0.000 0.292 79 W C 2.035 178.576 176.519 0.037 0.000 1.213 79 W CA 0.579 57.697 57.345 -0.378 0.000 1.283 79 W CB -1.243 27.972 29.460 -0.408 0.000 1.119 79 W HN 0.319 nan 8.180 nan 0.000 0.542 80 H N -1.181 118.020 119.070 0.219 0.000 2.387 80 H HA -0.223 0.456 4.556 -6.461 0.000 0.299 80 H C 2.240 177.705 175.328 0.228 0.000 1.090 80 H CA 1.573 57.743 56.048 0.203 0.000 1.332 80 H CB -0.400 29.476 29.762 0.190 0.000 1.386 80 H HN 0.014 nan 8.280 nan 0.000 0.516 81 F N 0.952 120.998 119.950 0.159 0.000 2.043 81 F HA -0.333 0.318 4.527 -6.460 0.000 0.297 81 F C 2.421 178.297 175.800 0.127 0.000 1.121 81 F CA 2.066 60.129 58.000 0.106 0.000 1.199 81 F CB -1.178 37.902 39.000 0.134 0.000 0.968 81 F HN 0.214 nan 8.300 nan 0.000 0.478 82 Y N 1.433 121.756 120.300 0.038 0.000 2.151 82 Y HA -0.294 0.381 4.550 -6.459 0.000 0.284 82 Y C 2.257 178.077 175.900 -0.135 0.000 1.166 82 Y CA 2.218 60.291 58.100 -0.046 0.000 1.163 82 Y CB -0.817 37.835 38.460 0.321 0.000 0.974 82 Y HN 0.167 nan 8.280 nan 0.000 0.511 83 D N -0.683 119.749 120.400 0.054 0.000 2.097 83 D HA -0.161 0.602 4.640 -6.462 0.000 0.195 83 D C 2.137 178.349 176.300 -0.147 0.000 0.989 83 D CA 2.153 56.157 54.000 0.006 0.000 0.827 83 D CB -0.518 40.399 40.800 0.195 0.000 0.966 83 D HN 0.423 nan 8.370 nan 0.000 0.456 84 T N 0.526 114.990 114.554 -0.150 0.000 2.777 84 T HA -0.107 0.366 4.350 -6.462 0.000 0.266 84 T C 2.102 176.590 174.700 -0.353 0.000 1.040 84 T CA 0.852 62.844 62.100 -0.180 0.000 1.141 84 T CB -0.424 68.352 68.868 -0.154 0.000 0.868 84 T HN 0.009 nan 8.240 nan 0.000 0.444 85 V N 1.282 120.847 119.914 -0.581 0.000 2.358 85 V HA -0.097 0.146 4.120 -6.462 0.000 0.246 85 V C 2.466 177.930 176.094 -1.050 0.000 1.047 85 V CA 1.802 63.648 62.300 -0.756 0.000 1.035 85 V CB -0.453 30.844 31.823 -0.876 0.000 0.658 85 V HN 0.372 nan 8.190 nan 0.000 0.452 86 K N -0.157 119.606 120.400 -1.062 0.000 1.991 86 K HA -0.149 0.294 4.320 -6.462 0.000 0.212 86 K C 2.140 178.385 176.600 -0.593 0.000 1.049 86 K CA 1.858 57.483 56.287 -1.103 0.000 0.932 86 K CB -0.998 31.038 32.500 -0.773 0.000 0.717 86 K HN 0.577 nan 8.250 nan 0.000 0.441 87 G N 0.759 109.385 108.800 -0.290 0.000 2.505 87 G HA2 -0.350 -0.266 3.960 -6.462 0.000 0.220 87 G HA3 -0.350 -0.266 3.960 -6.462 0.000 0.220 87 G C 1.461 176.282 174.900 -0.132 0.000 1.145 87 G CA 1.611 46.654 45.100 -0.095 0.000 0.761 87 G HN 0.542 nan 8.290 nan 0.000 0.571 88 S N -0.013 115.540 115.700 -0.245 0.000 2.537 88 S HA -0.060 0.533 4.470 -6.462 0.000 0.240 88 S C 1.170 175.677 174.600 -0.155 0.000 0.981 88 S CA 1.294 59.382 58.200 -0.187 0.000 0.948 88 S CB -0.211 62.855 63.200 -0.224 0.000 0.759 88 S HN 0.399 nan 8.310 nan 0.000 0.531 89 D N 0.340 120.634 120.400 -0.176 0.000 2.772 89 D HA -0.204 0.559 4.640 -6.462 0.000 0.233 89 D C -0.396 176.060 176.300 0.259 0.000 1.143 89 D CA 1.068 55.124 54.000 0.094 0.000 0.700 89 D CB -2.077 38.822 40.800 0.165 0.000 1.076 89 D HN 0.713 nan 8.370 nan 0.000 0.430 90 W N -2.403 118.852 121.300 -0.076 0.000 4.551 90 W HA -0.322 0.456 4.660 -6.470 0.000 0.343 90 W C 1.198 177.678 176.519 -0.065 0.000 1.269 90 W CA 0.627 57.923 57.345 -0.082 0.000 0.799 90 W CB -1.993 27.398 29.460 -0.115 0.000 2.352 90 W HN 0.327 nan 8.180 nan 0.000 1.462 91 L N -0.069 121.170 121.223 0.027 0.000 2.638 91 L HA 0.405 0.868 4.340 -6.462 0.000 0.232 91 L C 1.614 178.489 176.870 0.007 0.000 1.099 91 L CA 1.271 56.081 54.840 -0.050 0.000 0.883 91 L CB 0.107 42.073 42.059 -0.156 0.000 1.136 91 L HN -0.037 nan 8.230 nan 0.000 0.492 92 G N 0.205 108.989 108.800 -0.026 0.000 2.364 92 G HA2 0.155 0.238 3.960 -6.462 0.000 0.267 92 G HA3 0.155 0.238 3.960 -6.462 0.000 0.267 92 G C -0.800 174.133 174.900 0.055 0.000 1.233 92 G CA -0.467 44.633 45.100 -0.001 0.000 0.885 92 G HN 0.123 nan 8.290 nan 0.000 0.490 93 D N 2.746 123.226 120.400 0.132 0.000 2.346 93 D HA 0.016 0.779 4.640 -6.462 0.000 0.260 93 D C 1.358 177.753 176.300 0.157 0.000 1.252 93 D CA 0.246 54.347 54.000 0.168 0.000 0.895 93 D CB 1.579 42.486 40.800 0.179 0.000 1.097 93 D HN 0.525 nan 8.370 nan 0.000 0.489 94 Q N 1.481 121.395 119.800 0.190 0.000 2.224 94 Q HA -0.142 0.321 4.340 -6.462 0.000 0.203 94 Q C 1.445 177.658 176.000 0.355 0.000 0.970 94 Q CA 0.851 56.832 55.803 0.297 0.000 0.865 94 Q CB 0.169 29.127 28.738 0.366 0.000 0.922 94 Q HN 0.535 nan 8.270 nan 0.000 0.445 95 D N 1.009 121.541 120.400 0.220 0.000 2.123 95 D HA -0.181 0.582 4.640 -6.462 0.000 0.196 95 D C 1.712 178.089 176.300 0.129 0.000 0.992 95 D CA 1.587 55.647 54.000 0.100 0.000 0.833 95 D CB -0.307 40.487 40.800 -0.009 0.000 0.954 95 D HN 0.173 nan 8.370 nan 0.000 0.455 96 A N 0.773 123.735 122.820 0.237 0.000 1.930 96 A HA 0.012 0.455 4.320 -6.462 0.000 0.217 96 A C 2.611 180.451 177.584 0.427 0.000 1.175 96 A CA 1.103 53.374 52.037 0.391 0.000 0.627 96 A CB -0.684 18.498 19.000 0.304 0.000 0.815 96 A HN 0.307 nan 8.150 nan 0.000 0.443 97 I N -1.371 119.402 120.570 0.338 0.000 2.315 97 I HA -0.230 0.063 4.170 -6.462 0.000 0.248 97 I C 2.426 178.849 176.117 0.510 0.000 1.117 97 I CA 1.583 63.075 61.300 0.320 0.000 1.404 97 I CB -0.673 37.424 38.000 0.162 0.000 1.071 97 I HN 0.599 nan 8.210 nan 0.000 0.419 98 H N 0.560 119.901 119.070 0.452 0.000 2.253 98 H HA -0.327 0.352 4.556 -6.462 0.000 0.296 98 H C 2.467 177.853 175.328 0.097 0.000 1.074 98 H CA 2.276 58.484 56.048 0.267 0.000 1.263 98 H CB -0.282 29.524 29.762 0.072 0.000 1.363 98 H HN 0.293 nan 8.280 nan 0.000 0.489 99 Y N 0.536 120.896 120.300 0.099 0.000 2.151 99 Y HA -0.342 0.331 4.550 -6.462 0.000 0.284 99 Y C 2.860 178.674 175.900 -0.145 0.000 1.166 99 Y CA 2.090 60.133 58.100 -0.095 0.000 1.163 99 Y CB -0.207 38.231 38.460 -0.038 0.000 0.974 99 Y HN 0.327 nan 8.280 nan 0.000 0.511 100 M N -0.505 119.068 119.600 -0.046 0.000 2.123 100 M HA -0.170 0.433 4.480 -6.462 0.000 0.263 100 M C 2.246 178.424 176.300 -0.203 0.000 1.069 100 M CA 2.364 57.538 55.300 -0.210 0.000 1.133 100 M CB -0.348 32.249 32.600 -0.005 0.000 1.356 100 M HN 0.449 nan 8.290 nan 0.000 0.415 101 T N -2.336 112.170 114.554 -0.079 0.000 2.951 101 T HA -0.154 0.319 4.350 -6.462 0.000 0.268 101 T C 1.527 176.154 174.700 -0.122 0.000 1.073 101 T CA 1.491 63.568 62.100 -0.039 0.000 1.134 101 T CB -0.475 68.448 68.868 0.090 0.000 0.884 101 T HN 0.629 nan 8.240 nan 0.000 0.479 102 E N 0.909 120.776 120.200 -0.554 0.000 2.072 102 E HA -0.225 0.248 4.350 -6.462 0.000 0.191 102 E C 2.373 178.535 176.600 -0.730 0.000 0.985 102 E CA 1.081 56.717 56.400 -1.272 0.000 0.801 102 E CB -0.213 28.655 29.700 -1.387 0.000 0.750 102 E HN 0.520 nan 8.360 nan 0.000 0.452 103 Q N 0.251 119.699 119.800 -0.587 0.000 2.369 103 Q HA 0.030 0.493 4.340 -6.462 0.000 0.206 103 Q C 1.651 177.464 176.000 -0.311 0.000 0.963 103 Q CA 1.143 56.650 55.803 -0.493 0.000 0.894 103 Q CB -0.262 28.074 28.738 -0.670 0.000 0.965 103 Q HN 0.389 nan 8.270 nan 0.000 0.475 104 A N 1.331 124.015 122.820 -0.226 0.000 1.870 104 A HA -0.215 0.228 4.320 -6.462 0.000 0.219 104 A C -0.388 177.143 177.584 -0.088 0.000 1.224 104 A CA 1.987 53.974 52.037 -0.083 0.000 0.650 104 A CB -1.875 17.175 19.000 0.084 0.000 0.836 104 A HN 0.464 nan 8.150 nan 0.000 0.454 105 P HA -0.054 nan 4.420 nan 0.000 0.216 105 P C 1.739 178.964 177.300 -0.125 0.000 1.153 105 P CA 1.894 64.934 63.100 -0.100 0.000 0.848 105 P CB -0.207 31.443 31.700 -0.084 0.000 0.787 106 A N -0.707 122.023 122.820 -0.150 0.000 1.908 106 A HA -0.197 0.246 4.320 -6.462 0.000 0.218 106 A C 2.463 179.963 177.584 -0.140 0.000 1.181 106 A CA 2.263 54.212 52.037 -0.147 0.000 0.627 106 A CB -1.636 17.262 19.000 -0.171 0.000 0.818 106 A HN 0.125 nan 8.150 nan 0.000 0.445 107 S N -0.988 114.627 115.700 -0.141 0.000 2.387 107 S HA -0.071 0.522 4.470 -6.462 0.000 0.226 107 S C 1.894 176.447 174.600 -0.078 0.000 1.026 107 S CA 1.229 59.363 58.200 -0.111 0.000 0.972 107 S CB -0.261 62.874 63.200 -0.108 0.000 0.814 107 S HN 0.327 nan 8.310 nan 0.000 0.477 108 V N 1.129 120.998 119.914 -0.074 0.000 2.379 108 V HA -0.092 0.151 4.120 -6.462 0.000 0.245 108 V C 2.266 178.294 176.094 -0.110 0.000 1.044 108 V CA 1.240 63.505 62.300 -0.059 0.000 1.036 108 V CB -0.528 31.228 31.823 -0.112 0.000 0.664 108 V HN 0.309 nan 8.190 nan 0.000 0.453 109 V N 0.015 119.844 119.914 -0.143 0.000 2.332 109 V HA -0.324 -0.081 4.120 -6.462 0.000 0.248 109 V C 2.506 178.511 176.094 -0.148 0.000 1.055 109 V CA 2.430 64.646 62.300 -0.139 0.000 1.038 109 V CB -0.572 31.177 31.823 -0.123 0.000 0.651 109 V HN 0.682 nan 8.190 nan 0.000 0.450 110 E N -0.170 119.911 120.200 -0.198 0.000 2.097 110 E HA -0.260 0.213 4.350 -6.462 0.000 0.196 110 E C 2.209 178.438 176.600 -0.619 0.000 1.000 110 E CA 1.683 57.853 56.400 -0.384 0.000 0.804 110 E CB -0.129 29.370 29.700 -0.334 0.000 0.740 110 E HN 0.584 nan 8.360 nan 0.000 0.454 111 L N 0.742 121.810 121.223 -0.257 0.000 2.056 111 L HA -0.147 0.316 4.340 -6.462 0.000 0.207 111 L C 2.851 179.823 176.870 0.170 0.000 1.078 111 L CA 1.067 55.907 54.840 0.000 0.000 0.749 111 L CB -0.432 41.767 42.059 0.232 0.000 0.901 111 L HN 0.177 nan 8.230 nan 0.000 0.433 112 E N 0.688 121.021 120.200 0.221 0.000 2.110 112 E HA -0.220 0.253 4.350 -6.462 0.000 0.193 112 E C 1.742 178.427 176.600 0.141 0.000 0.988 112 E CA 1.306 57.873 56.400 0.279 0.000 0.804 112 E CB -0.038 29.740 29.700 0.130 0.000 0.745 112 E HN 0.422 nan 8.360 nan 0.000 0.458 113 N N -0.311 118.406 118.700 0.027 0.000 2.381 113 N HA -0.109 0.754 4.740 -6.462 0.000 0.182 113 N C 1.508 177.108 175.510 0.150 0.000 1.025 113 N CA 0.731 53.802 53.050 0.035 0.000 0.888 113 N CB -0.377 38.088 38.487 -0.037 0.000 0.965 113 N HN 0.382 nan 8.380 nan 0.000 0.438 114 Y N -1.032 119.317 120.300 0.081 0.000 2.439 114 Y HA 0.018 0.690 4.550 -6.462 0.000 0.292 114 Y C 1.613 177.537 175.900 0.040 0.000 1.130 114 Y CA 0.268 58.400 58.100 0.053 0.000 1.254 114 Y CB 0.326 38.825 38.460 0.066 0.000 1.000 114 Y HN 0.194 nan 8.280 nan 0.000 0.554 115 G N 0.326 109.257 108.800 0.220 0.000 2.164 115 G HA2 -0.242 -0.159 3.960 -6.462 0.000 0.154 115 G HA3 -0.242 -0.159 3.960 -6.462 0.000 0.154 115 G C 0.061 175.031 174.900 0.115 0.000 1.014 115 G CA -0.315 44.868 45.100 0.138 0.000 0.683 115 G HN 0.186 nan 8.290 nan 0.000 0.500 116 M N 2.631 122.312 119.600 0.136 0.000 2.269 116 M HA 0.335 0.938 4.480 -6.462 0.000 0.350 116 M C -1.562 174.729 176.300 -0.016 0.000 1.429 116 M CA -0.991 54.311 55.300 0.003 0.000 1.063 116 M CB 0.669 33.214 32.600 -0.091 0.000 1.841 116 M HN -0.014 nan 8.290 nan 0.000 0.455 117 P HA 0.099 nan 4.420 nan 0.000 0.218 117 P C -0.951 176.348 177.300 -0.001 0.000 1.793 117 P CA -0.071 63.029 63.100 -0.000 0.000 0.941 117 P CB -0.854 30.846 31.700 -0.001 0.000 1.919 118 F N 0.583 120.570 119.950 0.062 0.000 2.635 118 F HA -0.069 0.581 4.527 -6.462 0.000 0.379 118 F C 1.576 177.414 175.800 0.064 0.000 1.094 118 F CA 0.908 58.949 58.000 0.069 0.000 1.300 118 F CB -0.075 38.965 39.000 0.066 0.000 1.035 118 F HN 0.052 nan 8.300 nan 0.000 0.581 119 S N 4.186 120.042 115.700 0.259 0.000 2.579 119 S HA 0.326 0.919 4.470 -6.462 0.000 0.275 119 S C 0.315 175.025 174.600 0.185 0.000 1.345 119 S CA -0.825 57.461 58.200 0.145 0.000 1.031 119 S CB 0.578 63.809 63.200 0.052 0.000 0.892 119 S HN 0.348 nan 8.310 nan 0.000 0.529 120 R N 0.795 121.352 120.500 0.095 0.000 2.856 120 R HA 0.630 1.093 4.340 -6.462 0.000 0.258 120 R C 0.667 177.027 176.300 0.100 0.000 1.066 120 R CA -0.668 55.498 56.100 0.109 0.000 1.045 120 R CB 0.822 31.165 30.300 0.072 0.000 1.178 120 R HN 0.824 nan 8.270 nan 0.000 0.499 121 T N -2.881 111.741 114.554 0.114 0.000 2.797 121 T HA 0.219 0.692 4.350 -6.462 0.000 0.267 121 T C 1.055 175.791 174.700 0.060 0.000 0.986 121 T CA -0.469 61.700 62.100 0.116 0.000 0.999 121 T CB 0.861 69.809 68.868 0.134 0.000 1.508 121 T HN 0.408 nan 8.240 nan 0.000 0.595 122 E N 0.363 120.594 120.200 0.052 0.000 2.072 122 E HA -0.057 0.416 4.350 -6.462 0.000 0.191 122 E C 1.598 178.213 176.600 0.025 0.000 0.985 122 E CA 1.328 57.747 56.400 0.031 0.000 0.801 122 E CB -0.481 29.235 29.700 0.026 0.000 0.750 122 E HN 0.620 nan 8.360 nan 0.000 0.452 123 D N -1.190 119.225 120.400 0.026 0.000 2.264 123 D HA -0.005 0.758 4.640 -6.462 0.000 0.208 123 D C 1.163 177.474 176.300 0.019 0.000 0.966 123 D CA 1.330 55.341 54.000 0.018 0.000 0.864 123 D CB 0.082 40.890 40.800 0.012 0.000 0.933 123 D HN 0.364 nan 8.370 nan 0.000 0.499 124 G N 0.250 109.068 108.800 0.029 0.000 2.159 124 G HA2 -0.276 -0.193 3.960 -6.462 0.000 0.227 124 G HA3 -0.276 -0.193 3.960 -6.462 0.000 0.227 124 G C 0.385 175.304 174.900 0.031 0.000 0.986 124 G CA 0.069 45.187 45.100 0.030 0.000 0.651 124 G HN 0.321 nan 8.290 nan 0.000 0.523 125 K N -0.440 119.976 120.400 0.028 0.000 2.127 125 K HA 0.671 1.114 4.320 -6.462 0.000 0.240 125 K C 0.915 177.532 176.600 0.028 0.000 1.024 125 K CA -0.915 55.378 56.287 0.010 0.000 0.918 125 K CB 0.965 33.459 32.500 -0.009 0.000 1.108 125 K HN 0.176 nan 8.250 nan 0.000 0.485 126 I N 2.075 122.629 120.570 -0.027 0.000 2.683 126 I HA -0.108 0.185 4.170 -6.462 0.000 0.286 126 I C -0.074 176.070 176.117 0.045 0.000 1.175 126 I CA 0.115 61.394 61.300 -0.035 0.000 1.429 126 I CB 0.030 37.847 38.000 -0.306 0.000 1.371 126 I HN 0.439 nan 8.210 nan 0.000 0.569 127 Y N 7.490 127.803 120.300 0.023 0.000 2.436 127 Y HA 0.159 0.833 4.550 -6.461 0.000 0.336 127 Y C -0.060 175.866 175.900 0.045 0.000 1.049 127 Y CA -0.103 58.022 58.100 0.042 0.000 1.294 127 Y CB 0.274 38.776 38.460 0.071 0.000 1.179 127 Y HN 0.500 nan 8.280 nan 0.000 0.520 128 Q N 5.268 124.783 119.800 -0.476 0.000 2.274 128 Q HA 0.532 0.995 4.340 -6.462 0.000 0.260 128 Q C -0.866 174.787 176.000 -0.578 0.000 0.974 128 Q CA -1.257 54.314 55.803 -0.387 0.000 0.876 128 Q CB 2.073 30.694 28.738 -0.196 0.000 1.297 128 Q HN 0.552 nan 8.270 nan 0.000 0.446 129 R N 0.202 120.531 120.500 -0.286 0.000 2.888 129 R HA 0.660 1.123 4.340 -6.462 0.000 0.266 129 R C -1.385 174.932 176.300 0.028 0.000 1.020 129 R CA -0.693 55.343 56.100 -0.107 0.000 0.963 129 R CB 1.605 31.923 30.300 0.031 0.000 1.197 129 R HN 0.767 nan 8.270 nan 0.000 0.481 130 A N 1.876 124.712 122.820 0.027 0.000 2.445 130 A HA 0.507 0.950 4.320 -6.462 0.000 0.242 130 A C -0.880 176.797 177.584 0.155 0.000 1.075 130 A CA 0.463 52.452 52.037 -0.080 0.000 0.777 130 A CB -0.068 18.799 19.000 -0.222 0.000 1.013 130 A HN 0.524 nan 8.150 nan 0.000 0.493 131 F N -0.624 119.249 119.950 -0.129 0.000 2.686 131 F HA 0.531 1.180 4.527 -6.463 0.000 0.311 131 F C 0.838 176.571 175.800 -0.112 0.000 1.128 131 F CA -0.249 57.695 58.000 -0.093 0.000 0.946 131 F CB 1.712 40.670 39.000 -0.070 0.000 1.336 131 F HN 0.795 nan 8.300 nan 0.000 0.457 132 G N 0.888 109.576 108.800 -0.186 0.000 2.299 132 G HA2 0.402 0.485 3.960 -6.462 0.000 0.256 132 G HA3 0.402 0.485 3.960 -6.462 0.000 0.256 132 G C 0.742 175.570 174.900 -0.119 0.000 1.259 132 G CA 0.614 45.596 45.100 -0.197 0.000 0.943 132 G HN 1.580 nan 8.290 nan 0.000 0.479 133 G N 1.574 110.271 108.800 -0.171 0.000 2.179 133 G HA2 -0.207 -0.124 3.960 -6.462 0.000 0.220 133 G HA3 -0.207 -0.124 3.960 -6.462 0.000 0.220 133 G C 0.260 175.194 174.900 0.056 0.000 0.990 133 G CA 0.213 45.212 45.100 -0.167 0.000 0.646 133 G HN 0.826 nan 8.290 nan 0.000 0.517 134 Q N 0.261 120.093 119.800 0.053 0.000 2.257 134 Q HA 0.710 1.173 4.340 -6.462 0.000 0.262 134 Q C 0.071 176.109 176.000 0.063 0.000 0.997 134 Q CA 0.025 55.874 55.803 0.077 0.000 0.873 134 Q CB 2.041 30.802 28.738 0.038 0.000 1.312 134 Q HN 0.697 nan 8.270 nan 0.000 0.450 135 S N 0.894 116.640 115.700 0.076 0.000 2.607 135 S HA 0.695 1.288 4.470 -6.462 0.000 0.273 135 S C -1.171 173.401 174.600 -0.046 0.000 1.148 135 S CA -0.851 57.361 58.200 0.019 0.000 0.833 135 S CB 0.893 64.123 63.200 0.051 0.000 1.130 135 S HN 0.461 nan 8.310 nan 0.000 0.470 136 L N 1.276 122.391 121.223 -0.180 0.000 2.358 136 L HA 0.610 1.073 4.340 -6.462 0.000 0.268 136 L C 0.083 176.381 176.870 -0.953 0.000 1.032 136 L CA -1.070 53.493 54.840 -0.463 0.000 0.805 136 L CB 0.691 42.568 42.059 -0.303 0.000 1.253 136 L HN 0.964 nan 8.230 nan 0.000 0.452 137 K N 2.050 121.135 120.400 -2.191 0.000 3.278 137 K HA -0.246 0.197 4.320 -6.462 0.000 0.270 137 K C -0.653 175.450 176.600 -0.829 0.000 0.955 137 K CA 0.400 55.682 56.287 -1.675 0.000 0.723 137 K CB -1.569 30.459 32.500 -0.787 0.000 1.382 137 K HN 0.498 nan 8.250 nan 0.000 0.461 138 F N -1.229 118.165 119.950 -0.928 0.000 3.048 138 F HA -0.318 0.331 4.527 -6.463 0.000 0.269 138 F C 1.483 176.789 175.800 -0.823 0.000 0.960 138 F CA 1.401 58.928 58.000 -0.788 0.000 0.909 138 F CB -1.945 36.643 39.000 -0.687 0.000 0.837 138 F HN 0.652 nan 8.300 nan 0.000 0.768 139 G N -1.135 107.483 108.800 -0.304 0.000 2.317 139 G HA2 -0.349 -0.266 3.960 -6.462 0.000 0.227 139 G HA3 -0.349 -0.266 3.960 -6.462 0.000 0.227 139 G C 1.143 175.974 174.900 -0.115 0.000 1.042 139 G CA 0.129 45.176 45.100 -0.087 0.000 0.623 139 G HN 0.355 nan 8.290 nan 0.000 0.509 140 K N 1.284 121.576 120.400 -0.180 0.000 2.486 140 K HA 0.187 0.630 4.320 -6.462 0.000 0.194 140 K C 1.942 178.452 176.600 -0.149 0.000 1.033 140 K CA 0.962 57.166 56.287 -0.137 0.000 1.004 140 K CB 0.244 32.667 32.500 -0.128 0.000 0.798 140 K HN 0.572 nan 8.250 nan 0.000 0.495 141 G N 0.718 109.391 108.800 -0.212 0.000 3.453 141 G HA2 0.375 0.458 3.960 -6.462 0.000 0.263 141 G HA3 0.375 0.458 3.960 -6.462 0.000 0.263 141 G C 0.526 175.352 174.900 -0.123 0.000 1.060 141 G CA 0.197 45.176 45.100 -0.203 0.000 0.793 141 G HN 0.407 nan 8.290 nan 0.000 0.532 142 G N -0.002 108.749 108.800 -0.082 0.000 2.725 142 G HA2 -0.085 -0.002 3.960 -6.462 0.000 0.220 142 G HA3 -0.085 -0.002 3.960 -6.462 0.000 0.220 142 G C -0.229 174.652 174.900 -0.032 0.000 1.357 142 G CA -0.193 44.886 45.100 -0.035 0.000 0.866 142 G HN 0.688 nan 8.290 nan 0.000 0.548 143 Q N 0.228 120.014 119.800 -0.022 0.000 2.337 143 Q HA 0.604 1.067 4.340 -6.462 0.000 0.270 143 Q C 0.485 176.416 176.000 -0.114 0.000 1.002 143 Q CA 1.031 56.788 55.803 -0.077 0.000 0.888 143 Q CB 0.773 29.439 28.738 -0.120 0.000 1.222 143 Q HN 1.753 nan 8.270 nan 0.000 0.400 144 A N 4.148 126.884 122.820 -0.140 0.000 2.312 144 A HA 0.520 0.963 4.320 -6.462 0.000 0.328 144 A C -1.294 176.141 177.584 -0.249 0.000 1.158 144 A CA -0.595 51.395 52.037 -0.078 0.000 0.821 144 A CB 0.479 19.483 19.000 0.007 0.000 1.170 144 A HN 0.923 nan 8.150 nan 0.000 0.490 145 H N 0.950 120.012 119.070 -0.014 0.000 2.539 145 H HA 0.445 1.125 4.556 -6.461 0.000 0.247 145 H C 0.524 175.797 175.328 -0.093 0.000 1.363 145 H CA -0.227 55.788 56.048 -0.056 0.000 1.371 145 H CB 0.398 30.116 29.762 -0.073 0.000 1.438 145 H HN 0.672 nan 8.280 nan 0.000 0.523 146 R N 0.134 120.607 120.500 -0.046 0.000 2.615 146 R HA 0.272 0.735 4.340 -6.462 0.000 0.448 146 R C -0.798 175.405 176.300 -0.161 0.000 1.009 146 R CA -0.300 55.735 56.100 -0.109 0.000 1.111 146 R CB -0.420 29.796 30.300 -0.141 0.000 1.461 146 R HN 0.347 nan 8.270 nan 0.000 0.587 147 C N 2.783 121.993 119.300 -0.150 0.000 2.168 147 C HA 0.501 1.084 4.460 -6.462 0.000 0.333 147 C C 0.552 175.476 174.990 -0.110 0.000 1.106 147 C CA -0.625 58.278 59.018 -0.193 0.000 1.574 147 C CB -1.267 26.304 27.740 -0.282 0.000 2.055 147 C HN 0.727 nan 8.230 nan 0.000 0.473 148 C N 5.280 124.541 119.300 -0.065 0.000 2.648 148 C HA 0.502 1.085 4.460 -6.462 0.000 0.415 148 C C 0.820 175.974 174.990 0.273 0.000 1.366 148 C CA -0.486 58.559 59.018 0.046 0.000 1.756 148 C CB -2.186 25.502 27.740 -0.087 0.000 2.549 148 C HN 0.981 nan 8.230 nan 0.000 0.597 149 C N 1.799 121.345 119.300 0.410 0.000 2.782 149 C HA 0.665 1.248 4.460 -6.462 0.000 0.328 149 C C -0.582 174.586 174.990 0.297 0.000 1.145 149 C CA -0.715 58.496 59.018 0.323 0.000 1.358 149 C CB 0.016 27.900 27.740 0.240 0.000 1.841 149 C HN 0.621 nan 8.230 nan 0.000 0.477 150 V N 4.450 124.399 119.914 0.059 0.000 2.222 150 V HA 0.552 0.795 4.120 -6.462 0.000 0.253 150 V C 1.363 177.475 176.094 0.030 0.000 1.210 150 V CA 1.534 63.824 62.300 -0.018 0.000 1.079 150 V CB -0.943 30.783 31.823 -0.161 0.000 1.265 150 V HN 2.049 nan 8.190 nan 0.000 0.494 151 A N 3.977 126.838 122.820 0.067 0.000 5.483 151 A HA -0.352 0.091 4.320 -6.462 0.000 0.309 151 A C 1.492 179.114 177.584 0.063 0.000 1.898 151 A CA 1.566 53.627 52.037 0.041 0.000 0.716 151 A CB -1.462 17.534 19.000 -0.006 0.000 1.309 151 A HN 0.684 nan 8.150 nan 0.000 0.380 152 D N 0.129 120.548 120.400 0.031 0.000 2.340 152 D HA 0.128 0.891 4.640 -6.462 0.000 0.220 152 D C 1.224 177.536 176.300 0.021 0.000 1.039 152 D CA 0.787 54.809 54.000 0.037 0.000 0.866 152 D CB -0.156 40.653 40.800 0.015 0.000 0.913 152 D HN 0.481 nan 8.370 nan 0.000 0.523 153 R N -0.628 119.873 120.500 0.002 0.000 2.816 153 R HA 0.159 0.622 4.340 -6.462 0.000 0.382 153 R C 1.270 177.596 176.300 0.043 0.000 1.140 153 R CA -0.035 56.060 56.100 -0.008 0.000 1.050 153 R CB 0.174 30.404 30.300 -0.116 0.000 1.396 153 R HN -0.138 nan 8.270 nan 0.000 0.583 154 T N -0.576 114.001 114.554 0.038 0.000 2.881 154 T HA -0.074 0.399 4.350 -6.462 0.000 0.270 154 T C 1.780 176.495 174.700 0.024 0.000 1.068 154 T CA 1.880 63.986 62.100 0.011 0.000 1.131 154 T CB 0.086 68.974 68.868 0.033 0.000 0.871 154 T HN 0.530 nan 8.240 nan 0.000 0.479 155 G N 0.235 109.072 108.800 0.063 0.000 2.417 155 G HA2 -0.130 -0.047 3.960 -6.462 0.000 0.212 155 G HA3 -0.130 -0.047 3.960 -6.462 0.000 0.212 155 G C 1.433 176.396 174.900 0.105 0.000 1.187 155 G CA 0.774 45.917 45.100 0.071 0.000 0.804 155 G HN 0.653 nan 8.290 nan 0.000 0.534 156 H N 1.352 120.441 119.070 0.033 0.000 2.297 156 H HA -0.153 0.526 4.556 -6.462 0.000 0.289 156 H C 2.421 177.824 175.328 0.125 0.000 1.105 156 H CA 2.160 58.262 56.048 0.090 0.000 1.219 156 H CB -0.545 29.232 29.762 0.025 0.000 1.351 156 H HN 0.276 nan 8.280 nan 0.000 0.481 157 S N 0.722 116.504 115.700 0.137 0.000 2.368 157 S HA -0.091 0.502 4.470 -6.462 0.000 0.224 157 S C 2.272 176.867 174.600 -0.008 0.000 1.029 157 S CA 0.826 59.037 58.200 0.019 0.000 0.988 157 S CB -0.362 62.843 63.200 0.007 0.000 0.838 157 S HN 0.381 nan 8.310 nan 0.000 0.462 158 L N 1.640 122.860 121.223 -0.004 0.000 2.012 158 L HA -0.031 0.432 4.340 -6.462 0.000 0.210 158 L C 2.005 178.920 176.870 0.075 0.000 1.073 158 L CA 1.681 56.541 54.840 0.034 0.000 0.748 158 L CB -0.906 41.184 42.059 0.052 0.000 0.891 158 L HN 0.286 nan 8.230 nan 0.000 0.431 159 L N -0.958 120.298 121.223 0.054 0.000 2.056 159 L HA -0.178 0.285 4.340 -6.462 0.000 0.207 159 L C 2.601 179.467 176.870 -0.007 0.000 1.078 159 L CA 1.746 56.599 54.840 0.023 0.000 0.749 159 L CB -0.927 41.118 42.059 -0.022 0.000 0.901 159 L HN 0.430 nan 8.230 nan 0.000 0.433 160 H N -1.229 117.791 119.070 -0.083 0.000 2.389 160 H HA -0.073 0.606 4.556 -6.462 0.000 0.299 160 H C 1.987 177.328 175.328 0.023 0.000 1.081 160 H CA 1.933 57.947 56.048 -0.056 0.000 1.345 160 H CB -0.005 29.628 29.762 -0.214 0.000 1.393 160 H HN 0.513 nan 8.280 nan 0.000 0.520 161 T N -0.828 113.798 114.554 0.119 0.000 2.896 161 T HA -0.022 0.451 4.350 -6.462 0.000 0.263 161 T C 2.301 177.032 174.700 0.052 0.000 1.050 161 T CA 0.295 62.447 62.100 0.086 0.000 1.140 161 T CB -0.551 68.382 68.868 0.107 0.000 0.877 161 T HN 0.138 nan 8.240 nan 0.000 0.457 162 L N -0.589 120.706 121.223 0.121 0.000 2.083 162 L HA -0.025 0.438 4.340 -6.462 0.000 0.209 162 L C 2.619 179.529 176.870 0.067 0.000 1.083 162 L CA 1.665 56.603 54.840 0.164 0.000 0.752 162 L CB -0.565 41.664 42.059 0.284 0.000 0.899 162 L HN 0.254 nan 8.230 nan 0.000 0.433 163 Y N 0.600 120.855 120.300 -0.074 0.000 2.200 163 Y HA -0.123 0.550 4.550 -6.462 0.000 0.290 163 Y C 2.291 178.087 175.900 -0.174 0.000 1.137 163 Y CA 1.311 59.314 58.100 -0.161 0.000 1.163 163 Y CB -0.644 37.661 38.460 -0.259 0.000 0.988 163 Y HN 0.060 nan 8.280 nan 0.000 0.518 164 G N 0.762 109.456 108.800 -0.176 0.000 2.491 164 G HA2 -0.296 -0.213 3.960 -6.462 0.000 0.218 164 G HA3 -0.296 -0.213 3.960 -6.462 0.000 0.218 164 G C 1.885 176.568 174.900 -0.362 0.000 1.180 164 G CA 0.915 45.872 45.100 -0.239 0.000 0.774 164 G HN 0.237 nan 8.290 nan 0.000 0.562 165 R N 0.863 121.116 120.500 -0.411 0.000 2.091 165 R HA -0.119 0.344 4.340 -6.462 0.000 0.238 165 R C 3.112 179.041 176.300 -0.618 0.000 1.136 165 R CA 1.709 57.435 56.100 -0.623 0.000 0.959 165 R CB -0.954 28.727 30.300 -1.030 0.000 0.856 165 R HN 0.544 nan 8.270 nan 0.000 0.437 166 S N 0.294 115.662 115.700 -0.554 0.000 2.465 166 S HA -0.122 0.471 4.470 -6.462 0.000 0.241 166 S C 1.704 176.238 174.600 -0.110 0.000 1.000 166 S CA 0.881 58.951 58.200 -0.217 0.000 0.964 166 S CB -0.169 63.026 63.200 -0.009 0.000 0.763 166 S HN 0.129 nan 8.310 nan 0.000 0.512 167 L N 0.906 121.930 121.223 -0.332 0.000 2.554 167 L HA 0.346 0.809 4.340 -6.462 0.000 0.226 167 L C 2.472 179.212 176.870 -0.216 0.000 1.137 167 L CA 0.804 55.479 54.840 -0.275 0.000 0.863 167 L CB -0.674 41.165 42.059 -0.366 0.000 0.985 167 L HN 0.290 nan 8.230 nan 0.000 0.451 168 R N -1.884 118.415 120.500 -0.335 0.000 2.275 168 R HA 0.054 0.517 4.340 -6.462 0.000 0.199 168 R C -0.333 175.624 176.300 -0.571 0.000 0.989 168 R CA 0.361 56.140 56.100 -0.534 0.000 1.016 168 R CB 0.196 29.997 30.300 -0.831 0.000 0.918 168 R HN 0.190 nan 8.270 nan 0.000 0.473 169 Y N -0.445 119.834 120.300 -0.036 0.000 2.587 169 Y HA 0.116 0.789 4.550 -6.461 0.000 0.337 169 Y C 0.580 176.515 175.900 0.057 0.000 1.065 169 Y CA -1.721 56.395 58.100 0.026 0.000 1.126 169 Y CB 0.756 39.256 38.460 0.067 0.000 1.279 169 Y HN -0.009 nan 8.280 nan 0.000 0.489 170 D N -1.087 119.448 120.400 0.224 0.000 2.519 170 D HA 0.025 0.788 4.640 -6.462 0.000 0.238 170 D C -0.339 176.048 176.300 0.144 0.000 1.192 170 D CA -0.186 53.906 54.000 0.153 0.000 0.835 170 D CB -1.181 39.689 40.800 0.116 0.000 0.975 170 D HN 0.364 nan 8.370 nan 0.000 0.490 171 T N 0.041 114.677 114.554 0.137 0.000 2.916 171 T HA 0.160 0.633 4.350 -6.462 0.000 0.303 171 T C 0.407 175.037 174.700 -0.116 0.000 1.025 171 T CA -0.236 61.835 62.100 -0.049 0.000 1.142 171 T CB 0.926 69.658 68.868 -0.227 0.000 0.947 171 T HN -0.003 nan 8.240 nan 0.000 0.544 172 S N 2.404 118.015 115.700 -0.149 0.000 2.399 172 S HA 0.269 0.862 4.470 -6.462 0.000 0.301 172 S C -0.671 173.799 174.600 -0.216 0.000 1.093 172 S CA -0.597 57.561 58.200 -0.070 0.000 1.077 172 S CB -0.268 63.042 63.200 0.183 0.000 0.980 172 S HN 0.522 nan 8.310 nan 0.000 0.494 173 Y N 2.389 122.673 120.300 -0.027 0.000 2.477 173 Y HA 0.284 0.956 4.550 -6.462 0.000 0.349 173 Y C -0.032 175.804 175.900 -0.107 0.000 0.977 173 Y CA -0.880 57.212 58.100 -0.012 0.000 1.214 173 Y CB -0.075 38.397 38.460 0.020 0.000 1.124 173 Y HN 0.530 nan 8.280 nan 0.000 0.521 174 F N 3.228 123.044 119.950 -0.224 0.000 2.651 174 F HA 0.170 0.820 4.527 -6.461 0.000 0.347 174 F C 0.165 175.919 175.800 -0.077 0.000 1.284 174 F CA -0.715 56.996 58.000 -0.483 0.000 1.175 174 F CB -0.504 37.852 39.000 -1.074 0.000 1.542 174 F HN 0.118 nan 8.300 nan 0.000 0.661 175 V N 2.396 122.458 119.914 0.246 0.000 2.555 175 V HA 0.056 0.299 4.120 -6.462 0.000 0.286 175 V C 0.544 176.872 176.094 0.390 0.000 1.044 175 V CA -0.964 61.515 62.300 0.300 0.000 1.026 175 V CB 0.493 32.486 31.823 0.284 0.000 0.981 175 V HN 0.715 nan 8.190 nan 0.000 0.480 176 E N 2.404 122.778 120.200 0.289 0.000 2.246 176 E HA -0.226 0.247 4.350 -6.462 0.000 0.211 176 E C -1.322 175.351 176.600 0.122 0.000 1.278 176 E CA 0.428 56.933 56.400 0.175 0.000 0.694 176 E CB -0.941 28.853 29.700 0.156 0.000 1.166 176 E HN 0.654 nan 8.360 nan 0.000 0.370 177 Y N 0.058 120.374 120.300 0.026 0.000 2.331 177 Y HA 0.381 1.054 4.550 -6.462 0.000 0.334 177 Y C -0.086 175.837 175.900 0.039 0.000 0.960 177 Y CA -1.061 57.061 58.100 0.037 0.000 1.130 177 Y CB 1.034 39.528 38.460 0.057 0.000 1.164 177 Y HN 0.220 nan 8.280 nan 0.000 0.458 178 F N 3.729 123.695 119.950 0.027 0.000 2.421 178 F HA 0.621 1.271 4.527 -6.462 0.000 0.358 178 F C 0.389 176.200 175.800 0.019 0.000 1.115 178 F CA -0.772 57.227 58.000 -0.001 0.000 1.160 178 F CB 0.316 39.283 39.000 -0.055 0.000 1.123 178 F HN 0.610 nan 8.300 nan 0.000 0.508 179 A N 7.502 130.277 122.820 -0.076 0.000 2.409 179 A HA 0.346 0.789 4.320 -6.462 0.000 0.267 179 A C 0.445 178.104 177.584 0.125 0.000 1.127 179 A CA -0.395 51.641 52.037 -0.002 0.000 0.795 179 A CB 0.264 19.191 19.000 -0.122 0.000 1.061 179 A HN 1.042 nan 8.150 nan 0.000 0.502 180 L N 1.315 122.649 121.223 0.186 0.000 2.189 180 L HA 0.238 0.701 4.340 -6.462 0.000 0.199 180 L C 0.361 177.289 176.870 0.096 0.000 1.074 180 L CA 0.588 55.548 54.840 0.200 0.000 0.783 180 L CB -0.062 42.069 42.059 0.119 0.000 0.955 180 L HN 0.575 nan 8.230 nan 0.000 0.460 181 D N -1.254 119.173 120.400 0.044 0.000 2.596 181 D HA 0.380 1.143 4.640 -6.462 0.000 0.262 181 D C -1.349 174.947 176.300 -0.006 0.000 1.210 181 D CA -0.535 53.474 54.000 0.015 0.000 0.873 181 D CB 2.980 43.787 40.800 0.012 0.000 1.408 181 D HN -0.274 nan 8.370 nan 0.000 0.441 182 L N 0.783 121.997 121.223 -0.015 0.000 2.417 182 L HA 0.291 0.754 4.340 -6.462 0.000 0.268 182 L C 0.026 176.888 176.870 -0.013 0.000 1.158 182 L CA 0.009 54.835 54.840 -0.023 0.000 0.819 182 L CB 0.404 42.447 42.059 -0.028 0.000 1.112 182 L HN 0.237 nan 8.230 nan 0.000 0.458 183 L N 4.269 125.485 121.223 -0.013 0.000 2.283 183 L HA 0.321 0.784 4.340 -6.462 0.000 0.287 183 L C -0.282 176.584 176.870 -0.007 0.000 1.073 183 L CA -0.005 54.833 54.840 -0.005 0.000 0.822 183 L CB 0.655 42.715 42.059 0.002 0.000 1.186 183 L HN 0.561 nan 8.230 nan 0.000 0.436 184 M N 4.034 123.630 119.600 -0.006 0.000 2.321 184 M HA 0.352 0.955 4.480 -6.462 0.000 0.315 184 M C -0.822 175.475 176.300 -0.005 0.000 1.052 184 M CA -0.127 55.169 55.300 -0.008 0.000 0.936 184 M CB 1.847 34.441 32.600 -0.010 0.000 1.639 184 M HN 0.366 nan 8.290 nan 0.000 0.433 185 E N 3.514 123.710 120.200 -0.006 0.000 2.283 185 E HA 0.338 0.811 4.350 -6.462 0.000 0.258 185 E C -0.953 175.642 176.600 -0.007 0.000 0.893 185 E CA -0.267 56.130 56.400 -0.005 0.000 0.798 185 E CB 0.612 30.311 29.700 -0.001 0.000 1.242 185 E HN 0.767 nan 8.360 nan 0.000 0.414 186 N N 3.415 122.110 118.700 -0.008 0.000 2.708 186 N HA -0.226 0.637 4.740 -6.462 0.000 0.255 186 N C 0.598 176.100 175.510 -0.013 0.000 1.046 186 N CA 1.357 54.401 53.050 -0.010 0.000 0.715 186 N CB -1.237 37.244 38.487 -0.009 0.000 0.895 186 N HN 1.021 nan 8.380 nan 0.000 0.545 187 G N -0.821 107.971 108.800 -0.013 0.000 2.245 187 G HA2 -0.344 -0.261 3.960 -6.462 0.000 0.264 187 G HA3 -0.344 -0.261 3.960 -6.462 0.000 0.264 187 G C -0.089 174.797 174.900 -0.024 0.000 0.985 187 G CA 1.000 46.090 45.100 -0.017 0.000 0.625 187 G HN 0.614 nan 8.290 nan 0.000 0.536 188 E N -0.576 119.611 120.200 -0.020 0.000 2.202 188 E HA 0.536 1.009 4.350 -6.462 0.000 0.272 188 E C -0.323 176.266 176.600 -0.019 0.000 0.951 188 E CA -0.669 55.718 56.400 -0.022 0.000 0.813 188 E CB 2.128 31.819 29.700 -0.016 0.000 1.151 188 E HN 0.220 nan 8.360 nan 0.000 0.398 189 C N 2.407 121.694 119.300 -0.022 0.000 2.330 189 C HA 0.343 0.926 4.460 -6.462 0.000 0.344 189 C C 0.991 175.978 174.990 -0.005 0.000 1.273 189 C CA -0.348 58.659 59.018 -0.018 0.000 1.879 189 C CB -0.355 27.369 27.740 -0.026 0.000 2.376 189 C HN 0.740 nan 8.230 nan 0.000 0.534 190 R N 2.974 123.472 120.500 -0.003 0.000 2.419 190 R HA 0.363 0.826 4.340 -6.462 0.000 0.235 190 R C 0.860 177.164 176.300 0.008 0.000 0.899 190 R CA 0.806 56.910 56.100 0.008 0.000 1.048 190 R CB 0.352 30.658 30.300 0.010 0.000 1.182 190 R HN 1.072 nan 8.270 nan 0.000 0.544 191 G N 0.114 108.908 108.800 -0.009 0.000 2.347 191 G HA2 0.059 0.142 3.960 -6.462 0.000 0.224 191 G HA3 0.059 0.142 3.960 -6.462 0.000 0.224 191 G C -1.611 173.264 174.900 -0.042 0.000 1.318 191 G CA -0.226 44.858 45.100 -0.026 0.000 1.016 191 G HN 0.113 nan 8.290 nan 0.000 0.469 192 V N -1.633 118.247 119.914 -0.057 0.000 2.808 192 V HA 0.822 1.066 4.120 -6.462 0.000 0.308 192 V C -0.257 175.821 176.094 -0.026 0.000 1.099 192 V CA -0.875 61.392 62.300 -0.055 0.000 0.920 192 V CB 1.638 33.402 31.823 -0.098 0.000 1.014 192 V HN 1.290 nan 8.190 nan 0.000 0.425 193 I N 3.454 124.027 120.570 0.006 0.000 2.385 193 I HA 0.868 1.161 4.170 -6.462 0.000 0.294 193 I C 0.245 176.402 176.117 0.066 0.000 0.988 193 I CA -0.164 61.161 61.300 0.043 0.000 1.265 193 I CB 1.221 39.242 38.000 0.035 0.000 1.388 193 I HN 1.161 nan 8.210 nan 0.000 0.480 194 A N 7.043 129.938 122.820 0.126 0.000 2.515 194 A HA 0.622 1.065 4.320 -6.462 0.000 0.298 194 A C -1.635 176.092 177.584 0.238 0.000 1.059 194 A CA -0.637 51.508 52.037 0.181 0.000 0.698 194 A CB 1.505 20.609 19.000 0.173 0.000 1.289 194 A HN 0.723 nan 8.150 nan 0.000 0.404 195 L N 1.949 123.292 121.223 0.199 0.000 2.276 195 L HA 0.587 1.051 4.340 -6.462 0.000 0.286 195 L C -0.056 176.828 176.870 0.023 0.000 1.061 195 L CA -0.310 54.598 54.840 0.113 0.000 0.807 195 L CB 0.931 42.996 42.059 0.011 0.000 1.177 195 L HN 0.781 nan 8.230 nan 0.000 0.429 196 C N 6.785 126.021 119.300 -0.106 0.000 2.322 196 C HA 0.308 0.891 4.460 -6.462 0.000 0.343 196 C C 1.825 176.575 174.990 -0.400 0.000 1.190 196 C CA -0.603 58.024 59.018 -0.651 0.000 1.704 196 C CB -1.621 25.711 27.740 -0.679 0.000 2.293 196 C HN 0.990 nan 8.230 nan 0.000 0.523 197 I N 3.285 123.578 120.570 -0.462 0.000 2.335 197 I HA -0.143 0.150 4.170 -6.462 0.000 0.251 197 I C 2.590 178.394 176.117 -0.521 0.000 1.129 197 I CA 1.254 62.220 61.300 -0.558 0.000 1.402 197 I CB -0.367 37.084 38.000 -0.915 0.000 1.069 197 I HN 0.746 nan 8.210 nan 0.000 0.424 198 E N 1.083 121.069 120.200 -0.356 0.000 2.153 198 E HA -0.240 0.233 4.350 -6.462 0.000 0.194 198 E C 0.684 177.305 176.600 0.036 0.000 0.988 198 E CA 1.695 58.061 56.400 -0.057 0.000 0.811 198 E CB 0.055 29.760 29.700 0.009 0.000 0.746 198 E HN 0.701 nan 8.360 nan 0.000 0.466 199 D N -3.287 117.103 120.400 -0.016 0.000 2.567 199 D HA 0.099 0.862 4.640 -6.462 0.000 0.268 199 D C 0.991 177.311 176.300 0.032 0.000 1.448 199 D CA 0.609 54.632 54.000 0.040 0.000 0.811 199 D CB -0.100 40.742 40.800 0.071 0.000 1.192 199 D HN 0.135 nan 8.370 nan 0.000 0.488 200 G N 0.896 109.693 108.800 -0.005 0.000 2.168 200 G HA2 -0.297 -0.214 3.960 -6.462 0.000 0.263 200 G HA3 -0.297 -0.214 3.960 -6.462 0.000 0.263 200 G C 0.477 175.434 174.900 0.095 0.000 0.977 200 G CA 0.699 45.814 45.100 0.026 0.000 0.659 200 G HN 0.965 nan 8.290 nan 0.000 0.533 201 S N -0.861 114.901 115.700 0.104 0.000 2.614 201 S HA 0.731 1.324 4.470 -6.462 0.000 0.265 201 S C 0.117 174.802 174.600 0.141 0.000 1.303 201 S CA -0.586 57.687 58.200 0.122 0.000 1.000 201 S CB 2.082 65.350 63.200 0.114 0.000 0.935 201 S HN 0.549 nan 8.310 nan 0.000 0.551 202 I N 1.973 122.563 120.570 0.034 0.000 2.389 202 I HA 0.336 0.629 4.170 -6.462 0.000 0.288 202 I C -0.336 175.757 176.117 -0.040 0.000 0.999 202 I CA -0.418 60.922 61.300 0.067 0.000 1.129 202 I CB 1.159 39.179 38.000 0.032 0.000 1.288 202 I HN 0.672 nan 8.210 nan 0.000 0.444 203 H N 6.465 125.675 119.070 0.232 0.000 2.505 203 H HA 0.440 1.119 4.556 -6.462 0.000 0.338 203 H C -0.664 174.786 175.328 0.204 0.000 1.057 203 H CA -0.910 55.324 56.048 0.311 0.000 1.202 203 H CB 1.658 31.722 29.762 0.503 0.000 1.466 203 H HN 0.364 nan 8.280 nan 0.000 0.499 204 R N 3.325 123.992 120.500 0.278 0.000 2.230 204 R HA 0.312 0.775 4.340 -6.462 0.000 0.337 204 R C -0.191 176.235 176.300 0.210 0.000 1.063 204 R CA -0.350 55.853 56.100 0.172 0.000 0.935 204 R CB 0.358 30.723 30.300 0.108 0.000 1.121 204 R HN 0.450 nan 8.270 nan 0.000 0.486 205 I N 4.764 125.393 120.570 0.099 0.000 2.297 205 I HA 0.233 0.526 4.170 -6.462 0.000 0.291 205 I C 0.512 176.660 176.117 0.053 0.000 1.033 205 I CA -0.384 60.949 61.300 0.054 0.000 1.253 205 I CB 0.577 38.391 38.000 -0.310 0.000 1.396 205 I HN 0.422 nan 8.210 nan 0.000 0.476 206 R N 5.832 126.412 120.500 0.134 0.000 2.532 206 R HA 0.965 1.428 4.340 -6.462 0.000 0.295 206 R C -1.054 175.319 176.300 0.122 0.000 0.968 206 R CA -0.769 55.387 56.100 0.094 0.000 0.916 206 R CB 2.061 32.407 30.300 0.077 0.000 1.124 206 R HN 0.586 nan 8.270 nan 0.000 0.463 207 A N 1.772 124.638 122.820 0.077 0.000 2.610 207 A HA 0.332 0.775 4.320 -6.462 0.000 0.291 207 A C 0.155 177.774 177.584 0.058 0.000 1.086 207 A CA -0.901 51.188 52.037 0.087 0.000 0.677 207 A CB 1.697 20.743 19.000 0.076 0.000 1.278 207 A HN 0.942 nan 8.150 nan 0.000 0.414 208 R N 0.281 120.823 120.500 0.070 0.000 2.075 208 R HA -0.029 0.434 4.340 -6.462 0.000 0.232 208 R C -0.188 176.141 176.300 0.049 0.000 1.126 208 R CA 1.620 57.756 56.100 0.061 0.000 0.963 208 R CB -0.020 30.330 30.300 0.084 0.000 0.858 208 R HN 0.746 nan 8.270 nan 0.000 0.435 209 N N -0.257 118.463 118.700 0.032 0.000 2.272 209 N HA 0.221 1.084 4.740 -6.462 0.000 0.305 209 N C -1.520 173.988 175.510 -0.004 0.000 1.103 209 N CA -0.372 52.699 53.050 0.035 0.000 0.791 209 N CB 2.415 40.895 38.487 -0.010 0.000 1.356 209 N HN -0.026 nan 8.380 nan 0.000 0.486 210 T N 0.447 115.025 114.554 0.039 0.000 2.879 210 T HA 0.364 0.838 4.350 -6.462 0.000 0.290 210 T C -0.339 174.374 174.700 0.022 0.000 0.993 210 T CA -0.489 61.603 62.100 -0.013 0.000 0.975 210 T CB 1.652 70.506 68.868 -0.023 0.000 0.981 210 T HN 0.073 nan 8.240 nan 0.000 0.439 211 V N 3.586 123.473 119.914 -0.046 0.000 2.417 211 V HA 0.455 0.698 4.120 -6.462 0.000 0.291 211 V C -0.144 175.918 176.094 -0.054 0.000 1.024 211 V CA -0.791 61.491 62.300 -0.030 0.000 0.861 211 V CB 1.777 33.539 31.823 -0.102 0.000 0.985 211 V HN 0.735 nan 8.190 nan 0.000 0.436 212 V N 4.393 124.287 119.914 -0.033 0.000 2.333 212 V HA 0.664 0.907 4.120 -6.462 0.000 0.274 212 V C 0.577 176.643 176.094 -0.046 0.000 1.028 212 V CA -0.071 62.197 62.300 -0.054 0.000 0.851 212 V CB 1.242 33.031 31.823 -0.057 0.000 1.000 212 V HN 0.990 nan 8.190 nan 0.000 0.456 213 A N 2.939 125.726 122.820 -0.054 0.000 3.253 213 A HA 0.440 0.883 4.320 -6.462 0.000 0.290 213 A C 0.967 178.524 177.584 -0.045 0.000 0.950 213 A CA 0.248 52.263 52.037 -0.038 0.000 0.986 213 A CB 0.252 19.236 19.000 -0.028 0.000 1.104 213 A HN 0.807 nan 8.150 nan 0.000 0.481 214 T N -2.622 111.896 114.554 -0.059 0.000 3.122 214 T HA 0.463 0.936 4.350 -6.462 0.000 0.250 214 T C 1.143 175.804 174.700 -0.065 0.000 1.067 214 T CA 0.865 62.920 62.100 -0.075 0.000 0.966 214 T CB -0.382 68.426 68.868 -0.101 0.000 1.002 214 T HN 2.066 nan 8.240 nan 0.000 0.542 215 G N 0.409 109.176 108.800 -0.054 0.000 2.752 215 G HA2 0.153 0.236 3.960 -6.462 0.000 0.234 215 G HA3 0.153 0.236 3.960 -6.462 0.000 0.234 215 G C 0.247 175.090 174.900 -0.095 0.000 1.367 215 G CA -0.559 44.495 45.100 -0.077 0.000 0.879 215 G HN 0.943 nan 8.290 nan 0.000 0.563 216 G N -1.737 106.958 108.800 -0.175 0.000 2.588 216 G HA2 0.633 0.716 3.960 -6.462 0.000 0.278 216 G HA3 0.633 0.716 3.960 -6.462 0.000 0.278 216 G C 0.223 175.083 174.900 -0.066 0.000 1.307 216 G CA 0.407 45.383 45.100 -0.208 0.000 1.016 216 G HN 1.895 nan 8.290 nan 0.000 0.503 217 Y N -2.487 117.719 120.300 -0.157 0.000 2.666 217 Y HA 0.496 1.167 4.550 -6.466 0.000 0.264 217 Y C 1.535 177.404 175.900 -0.051 0.000 1.054 217 Y CA -0.521 57.526 58.100 -0.087 0.000 1.121 217 Y CB 0.080 38.510 38.460 -0.051 0.000 1.190 217 Y HN 0.494 nan 8.280 nan 0.000 0.587 218 G N 1.360 110.032 108.800 -0.213 0.000 2.485 218 G HA2 -0.220 -0.137 3.960 -6.462 0.000 0.221 218 G HA3 -0.220 -0.137 3.960 -6.462 0.000 0.221 218 G C 1.615 176.515 174.900 -0.000 0.000 1.115 218 G CA 0.344 45.343 45.100 -0.169 0.000 0.751 218 G HN 0.282 nan 8.290 nan 0.000 0.567 219 R N 0.807 121.313 120.500 0.011 0.000 2.343 219 R HA -0.005 0.458 4.340 -6.462 0.000 0.202 219 R C 2.347 178.710 176.300 0.105 0.000 1.023 219 R CA 1.106 57.233 56.100 0.046 0.000 1.084 219 R CB -0.835 29.483 30.300 0.031 0.000 0.956 219 R HN 0.579 nan 8.270 nan 0.000 0.478 220 T N -3.110 111.535 114.554 0.151 0.000 3.023 220 T HA -0.008 0.465 4.350 -6.462 0.000 0.266 220 T C 0.735 175.411 174.700 -0.040 0.000 1.093 220 T CA 0.679 62.830 62.100 0.085 0.000 1.129 220 T CB -0.092 68.860 68.868 0.139 0.000 0.899 220 T HN 0.023 nan 8.240 nan 0.000 0.491 221 Y N -0.652 119.692 120.300 0.073 0.000 2.488 221 Y HA 0.515 1.185 4.550 -6.466 0.000 0.325 221 Y C 0.801 176.789 175.900 0.146 0.000 1.204 221 Y CA -2.021 56.142 58.100 0.106 0.000 1.229 221 Y CB 0.813 39.300 38.460 0.046 0.000 1.274 221 Y HN -0.060 nan 8.280 nan 0.000 0.493 222 F N 0.050 120.125 119.950 0.209 0.000 2.416 222 F HA 0.140 0.789 4.527 -6.463 0.000 0.296 222 F C 0.766 176.620 175.800 0.091 0.000 1.099 222 F CA 0.584 58.655 58.000 0.119 0.000 1.427 222 F CB 0.202 39.266 39.000 0.106 0.000 1.079 222 F HN 0.238 nan 8.300 nan 0.000 0.536 223 S N 0.982 116.683 115.700 0.002 0.000 2.596 223 S HA 0.614 1.207 4.470 -6.462 0.000 0.318 223 S C -0.860 173.693 174.600 -0.078 0.000 1.097 223 S CA -0.491 57.625 58.200 -0.140 0.000 1.080 223 S CB -0.021 63.139 63.200 -0.067 0.000 0.991 223 S HN 0.409 nan 8.310 nan 0.000 0.471 224 C N 2.575 121.799 119.300 -0.127 0.000 2.985 224 C HA 0.713 1.296 4.460 -6.462 0.000 0.314 224 C C 1.608 176.534 174.990 -0.105 0.000 1.215 224 C CA -0.024 58.922 59.018 -0.120 0.000 1.414 224 C CB 0.615 28.281 27.740 -0.122 0.000 1.842 224 C HN 0.822 nan 8.230 nan 0.000 0.477 225 T N -0.177 114.348 114.554 -0.048 0.000 2.951 225 T HA 0.065 0.538 4.350 -6.462 0.000 0.268 225 T C 0.819 175.542 174.700 0.039 0.000 1.073 225 T CA 1.176 63.277 62.100 0.002 0.000 1.134 225 T CB -0.706 68.240 68.868 0.130 0.000 0.884 225 T HN 1.248 nan 8.240 nan 0.000 0.479 226 S N 1.838 117.515 115.700 -0.037 0.000 2.573 226 S HA 0.611 1.205 4.470 -6.462 0.000 0.277 226 S C 0.623 175.174 174.600 -0.081 0.000 1.346 226 S CA -0.674 57.441 58.200 -0.143 0.000 1.034 226 S CB 0.497 63.461 63.200 -0.392 0.000 0.879 226 S HN 0.733 nan 8.310 nan 0.000 0.528 227 A N 1.183 123.976 122.820 -0.046 0.000 2.409 227 A HA 0.179 0.622 4.320 -6.462 0.000 0.246 227 A C 1.247 178.814 177.584 -0.029 0.000 1.099 227 A CA -0.239 51.839 52.037 0.068 0.000 0.789 227 A CB -0.408 18.727 19.000 0.224 0.000 1.053 227 A HN 1.014 nan 8.150 nan 0.000 0.503 228 H N -0.056 119.043 119.070 0.048 0.000 2.521 228 H HA -0.079 0.601 4.556 -6.461 0.000 0.286 228 H C 1.596 176.956 175.328 0.053 0.000 1.034 228 H CA 1.896 57.974 56.048 0.050 0.000 1.278 228 H CB -0.053 29.750 29.762 0.068 0.000 1.386 228 H HN 0.797 nan 8.280 nan 0.000 0.567 229 T N -2.480 112.159 114.554 0.143 0.000 3.122 229 T HA 0.111 0.584 4.350 -6.462 0.000 0.250 229 T C 0.903 175.616 174.700 0.022 0.000 1.067 229 T CA -0.288 61.871 62.100 0.099 0.000 0.966 229 T CB 0.071 69.000 68.868 0.102 0.000 1.002 229 T HN -0.085 nan 8.240 nan 0.000 0.542 230 S N 3.198 118.880 115.700 -0.030 0.000 4.087 230 S HA 0.251 0.844 4.470 -6.462 0.000 0.213 230 S C 1.098 175.690 174.600 -0.015 0.000 1.415 230 S CA -0.452 57.692 58.200 -0.094 0.000 0.893 230 S CB -0.338 62.722 63.200 -0.233 0.000 1.529 230 S HN 0.731 nan 8.310 nan 0.000 0.457 231 T N -1.730 112.840 114.554 0.027 0.000 3.228 231 T HA 0.387 0.860 4.350 -6.462 0.000 0.278 231 T C 1.025 175.771 174.700 0.077 0.000 1.014 231 T CA -0.034 62.112 62.100 0.077 0.000 0.904 231 T CB 0.154 69.083 68.868 0.102 0.000 1.110 231 T HN 0.578 nan 8.240 nan 0.000 0.541 232 G N 2.218 111.063 108.800 0.075 0.000 2.372 232 G HA2 -0.215 -0.132 3.960 -6.462 0.000 0.290 232 G HA3 -0.215 -0.132 3.960 -6.462 0.000 0.290 232 G C 0.361 175.246 174.900 -0.025 0.000 0.965 232 G CA 0.362 45.490 45.100 0.046 0.000 1.263 232 G HN 0.560 nan 8.290 nan 0.000 0.498 233 D N 0.082 120.452 120.400 -0.050 0.000 2.240 233 D HA -0.019 0.744 4.640 -6.462 0.000 0.206 233 D C 2.416 178.665 176.300 -0.085 0.000 0.963 233 D CA 1.136 55.091 54.000 -0.075 0.000 0.863 233 D CB -0.194 40.482 40.800 -0.206 0.000 0.973 233 D HN 0.524 nan 8.370 nan 0.000 0.501 234 G N 0.851 109.595 108.800 -0.094 0.000 2.421 234 G HA2 -0.183 -0.100 3.960 -6.462 0.000 0.217 234 G HA3 -0.183 -0.100 3.960 -6.462 0.000 0.217 234 G C 1.671 176.524 174.900 -0.078 0.000 1.143 234 G CA 1.041 46.090 45.100 -0.085 0.000 0.784 234 G HN 0.165 nan 8.290 nan 0.000 0.541 235 T N 1.952 116.455 114.554 -0.084 0.000 2.684 235 T HA -0.078 0.395 4.350 -6.462 0.000 0.267 235 T C 2.793 177.426 174.700 -0.111 0.000 1.036 235 T CA 1.611 63.643 62.100 -0.113 0.000 1.148 235 T CB -0.417 68.352 68.868 -0.166 0.000 0.863 235 T HN 0.349 nan 8.240 nan 0.000 0.436 236 A N 0.993 123.761 122.820 -0.087 0.000 1.972 236 A HA 0.016 0.459 4.320 -6.462 0.000 0.219 236 A C 2.345 179.908 177.584 -0.035 0.000 1.169 236 A CA 1.392 53.396 52.037 -0.054 0.000 0.635 236 A CB -0.695 18.296 19.000 -0.014 0.000 0.810 236 A HN 0.456 nan 8.150 nan 0.000 0.446 237 M N -0.950 118.628 119.600 -0.036 0.000 2.132 237 M HA -0.112 0.491 4.480 -6.462 0.000 0.263 237 M C 2.057 178.332 176.300 -0.040 0.000 1.065 237 M CA 1.257 56.539 55.300 -0.029 0.000 1.122 237 M CB -0.262 32.316 32.600 -0.036 0.000 1.365 237 M HN 0.248 nan 8.290 nan 0.000 0.411 238 V N -0.439 119.439 119.914 -0.060 0.000 2.358 238 V HA -0.245 -0.002 4.120 -6.462 0.000 0.246 238 V C 2.284 178.337 176.094 -0.068 0.000 1.047 238 V CA 2.080 64.338 62.300 -0.069 0.000 1.035 238 V CB -0.860 30.909 31.823 -0.090 0.000 0.658 238 V HN 0.489 nan 8.190 nan 0.000 0.452 239 T N -0.495 114.014 114.554 -0.077 0.000 2.708 239 T HA -0.187 0.286 4.350 -6.462 0.000 0.266 239 T C 2.043 176.725 174.700 -0.030 0.000 1.037 239 T CA 1.419 63.476 62.100 -0.072 0.000 1.146 239 T CB -0.234 68.581 68.868 -0.089 0.000 0.865 239 T HN 0.372 nan 8.240 nan 0.000 0.435 240 R N 0.639 121.127 120.500 -0.020 0.000 2.241 240 R HA 0.079 0.542 4.340 -6.462 0.000 0.224 240 R C 2.261 178.561 176.300 -0.000 0.000 1.101 240 R CA 0.859 56.958 56.100 -0.002 0.000 0.995 240 R CB -0.158 30.145 30.300 0.005 0.000 0.870 240 R HN 0.289 nan 8.270 nan 0.000 0.463 241 A N -0.285 122.531 122.820 -0.007 0.000 2.218 241 A HA 0.206 0.649 4.320 -6.462 0.000 0.209 241 A C 1.458 179.052 177.584 0.015 0.000 1.168 241 A CA 0.774 52.810 52.037 -0.003 0.000 0.804 241 A CB 0.084 19.076 19.000 -0.014 0.000 0.834 241 A HN 0.408 nan 8.150 nan 0.000 0.482 242 G N -1.319 107.501 108.800 0.032 0.000 2.176 242 G HA2 -0.218 -0.135 3.960 -6.462 0.000 0.253 242 G HA3 -0.218 -0.135 3.960 -6.462 0.000 0.253 242 G C 0.128 175.129 174.900 0.167 0.000 0.979 242 G CA 0.320 45.477 45.100 0.093 0.000 0.641 242 G HN 0.434 nan 8.290 nan 0.000 0.530 243 L N 2.206 123.461 121.223 0.054 0.000 2.417 243 L HA 0.446 0.909 4.340 -6.462 0.000 0.268 243 L C -1.291 175.457 176.870 -0.203 0.000 1.158 243 L CA -2.041 52.800 54.840 0.000 0.000 0.819 243 L CB 0.697 42.730 42.059 -0.044 0.000 1.112 243 L HN -0.018 nan 8.230 nan 0.000 0.458 244 P HA 0.150 nan 4.420 nan 0.000 0.277 244 P C -1.018 176.032 177.300 -0.416 0.000 1.240 244 P CA -0.533 62.074 63.100 -0.820 0.000 0.798 244 P CB 1.115 32.327 31.700 -0.813 0.000 0.979 245 C N 1.126 120.195 119.300 -0.386 0.000 2.401 245 C HA 0.550 1.133 4.460 -6.462 0.000 0.356 245 C C 0.284 175.165 174.990 -0.182 0.000 1.192 245 C CA -0.093 58.788 59.018 -0.229 0.000 2.028 245 C CB 1.257 28.882 27.740 -0.192 0.000 2.344 245 C HN 0.570 nan 8.230 nan 0.000 0.525 246 Q N 0.361 120.103 119.800 -0.098 0.000 2.375 246 Q HA 0.259 0.722 4.340 -6.462 0.000 0.271 246 Q C -0.861 175.186 176.000 0.079 0.000 1.074 246 Q CA -0.291 55.491 55.803 -0.035 0.000 0.808 246 Q CB 1.142 29.823 28.738 -0.094 0.000 1.327 246 Q HN 0.797 nan 8.270 nan 0.000 0.441 247 D N 2.386 122.901 120.400 0.193 0.000 2.792 247 D HA -0.228 0.535 4.640 -6.462 0.000 0.231 247 D C 0.667 177.217 176.300 0.416 0.000 1.160 247 D CA 0.779 55.023 54.000 0.406 0.000 0.697 247 D CB -0.687 40.308 40.800 0.325 0.000 1.070 247 D HN 0.637 nan 8.370 nan 0.000 0.426 248 L N 0.301 121.667 121.223 0.238 0.000 2.275 248 L HA -0.147 0.316 4.340 -6.462 0.000 0.215 248 L C 2.538 179.551 176.870 0.238 0.000 1.119 248 L CA 1.159 56.143 54.840 0.240 0.000 0.790 248 L CB -0.273 41.853 42.059 0.112 0.000 0.919 248 L HN 0.200 nan 8.230 nan 0.000 0.443 249 E N 0.471 120.729 120.200 0.096 0.000 2.418 249 E HA -0.161 0.313 4.350 -6.462 0.000 0.197 249 E C 0.135 176.654 176.600 -0.135 0.000 1.026 249 E CA 0.341 56.695 56.400 -0.076 0.000 0.862 249 E CB -0.238 29.252 29.700 -0.350 0.000 0.799 249 E HN 0.307 nan 8.360 nan 0.000 0.518 250 F N 1.692 121.725 119.950 0.138 0.000 2.405 250 F HA 0.245 0.887 4.527 -6.474 0.000 0.358 250 F C -0.152 175.711 175.800 0.104 0.000 1.151 250 F CA -0.618 57.469 58.000 0.144 0.000 1.161 250 F CB 1.207 40.290 39.000 0.139 0.000 1.245 250 F HN -0.293 nan 8.300 nan 0.000 0.545 251 V N 3.894 123.923 119.914 0.192 0.000 2.376 251 V HA 0.221 0.464 4.120 -6.462 0.000 0.287 251 V C -0.098 175.966 176.094 -0.050 0.000 1.015 251 V CA -0.985 61.303 62.300 -0.020 0.000 0.834 251 V CB 1.457 33.194 31.823 -0.144 0.000 1.001 251 V HN 0.620 nan 8.190 nan 0.000 0.428 252 Q N 3.657 123.446 119.800 -0.018 0.000 2.286 252 Q HA 0.285 0.748 4.340 -6.462 0.000 0.267 252 Q C -1.270 174.668 176.000 -0.103 0.000 1.028 252 Q CA -0.103 55.732 55.803 0.054 0.000 0.901 252 Q CB 0.418 29.258 28.738 0.171 0.000 1.183 252 Q HN 0.630 nan 8.270 nan 0.000 0.392 253 F N 3.606 123.549 119.950 -0.012 0.000 2.335 253 F HA 0.147 0.794 4.527 -6.467 0.000 0.365 253 F C 0.313 176.102 175.800 -0.018 0.000 1.122 253 F CA -0.558 57.422 58.000 -0.034 0.000 1.151 253 F CB 0.433 39.380 39.000 -0.090 0.000 1.282 253 F HN 0.614 nan 8.300 nan 0.000 0.513 254 H N 5.278 124.366 119.070 0.031 0.000 2.929 254 H HA 0.080 0.759 4.556 -6.462 0.000 0.317 254 H C -1.686 173.615 175.328 -0.044 0.000 1.031 254 H CA -1.109 54.879 56.048 -0.100 0.000 1.466 254 H CB 1.077 30.624 29.762 -0.359 0.000 1.482 254 H HN 0.313 nan 8.280 nan 0.000 0.561 255 P HA -0.118 nan 4.420 nan 0.000 0.216 255 P C 0.096 177.462 177.300 0.109 0.000 1.153 255 P CA 1.561 64.654 63.100 -0.012 0.000 0.848 255 P CB 0.297 31.923 31.700 -0.123 0.000 0.787 256 T N -2.688 112.014 114.554 0.247 0.000 3.375 256 T HA 0.619 1.092 4.350 -6.462 0.000 0.363 256 T C 0.375 175.123 174.700 0.080 0.000 1.837 256 T CA -0.854 61.342 62.100 0.159 0.000 1.445 256 T CB -0.064 68.868 68.868 0.105 0.000 1.089 256 T HN -0.026 nan 8.240 nan 0.000 0.722 257 G N 1.695 110.528 108.800 0.055 0.000 2.371 257 G HA2 0.623 0.706 3.960 -6.462 0.000 0.326 257 G HA3 0.623 0.706 3.960 -6.462 0.000 0.326 257 G C -0.309 174.592 174.900 0.002 0.000 1.127 257 G CA -1.045 44.043 45.100 -0.021 0.000 0.885 257 G HN 0.774 nan 8.290 nan 0.000 0.477 258 I N 1.486 122.035 120.570 -0.036 0.000 2.813 258 I HA -0.007 0.286 4.170 -6.462 0.000 0.287 258 I C 1.487 177.616 176.117 0.020 0.000 1.196 258 I CA -0.311 60.986 61.300 -0.005 0.000 1.421 258 I CB 0.782 38.759 38.000 -0.038 0.000 1.365 258 I HN 0.700 nan 8.210 nan 0.000 0.591 259 Y N 6.239 126.488 120.300 -0.084 0.000 2.242 259 Y HA -0.041 0.632 4.550 -6.462 0.000 0.291 259 Y C 1.676 177.556 175.900 -0.033 0.000 1.137 259 Y CA 1.542 59.587 58.100 -0.093 0.000 1.181 259 Y CB -0.530 37.767 38.460 -0.273 0.000 0.989 259 Y HN 0.678 nan 8.280 nan 0.000 0.527 260 G N 0.001 108.736 108.800 -0.109 0.000 2.798 260 G HA2 -0.121 -0.038 3.960 -6.462 0.000 0.202 260 G HA3 -0.121 -0.038 3.960 -6.462 0.000 0.202 260 G C 1.488 176.304 174.900 -0.140 0.000 1.432 260 G CA 0.873 45.894 45.100 -0.131 0.000 0.861 260 G HN 0.534 nan 8.290 nan 0.000 0.598 261 A N -0.608 122.186 122.820 -0.044 0.000 2.238 261 A HA 0.457 0.900 4.320 -6.462 0.000 0.208 261 A C 1.895 179.373 177.584 -0.176 0.000 1.177 261 A CA 1.292 53.280 52.037 -0.081 0.000 0.804 261 A CB -0.680 18.341 19.000 0.035 0.000 0.823 261 A HN 2.063 nan 8.150 nan 0.000 0.482 262 G N -1.367 107.328 108.800 -0.175 0.000 2.153 262 G HA2 -0.295 -0.212 3.960 -6.462 0.000 0.252 262 G HA3 -0.295 -0.212 3.960 -6.462 0.000 0.252 262 G C 0.306 175.104 174.900 -0.169 0.000 0.994 262 G CA 0.092 45.098 45.100 -0.156 0.000 0.698 262 G HN 0.677 nan 8.290 nan 0.000 0.521 263 C N -0.001 119.148 119.300 -0.252 0.000 2.679 263 C HA 0.470 1.053 4.460 -6.462 0.000 0.417 263 C C 1.291 176.166 174.990 -0.192 0.000 1.302 263 C CA -0.529 58.321 59.018 -0.281 0.000 1.973 263 C CB 0.113 27.543 27.740 -0.517 0.000 2.715 263 C HN 0.703 nan 8.230 nan 0.000 0.628 264 L N 3.544 124.669 121.223 -0.162 0.000 2.410 264 L HA 0.405 0.868 4.340 -6.462 0.000 0.273 264 L C -0.344 176.431 176.870 -0.159 0.000 1.152 264 L CA 0.638 55.365 54.840 -0.188 0.000 0.855 264 L CB 0.054 42.003 42.059 -0.184 0.000 1.129 264 L HN 0.539 nan 8.230 nan 0.000 0.463 265 I N 4.591 125.071 120.570 -0.150 0.000 2.362 265 I HA 0.188 0.481 4.170 -6.462 0.000 0.289 265 I C 0.545 176.620 176.117 -0.071 0.000 0.994 265 I CA -0.371 60.882 61.300 -0.078 0.000 1.158 265 I CB 1.661 39.644 38.000 -0.029 0.000 1.315 265 I HN 0.625 nan 8.210 nan 0.000 0.451 266 T N 3.678 118.216 114.554 -0.025 0.000 2.934 266 T HA -0.105 0.368 4.350 -6.462 0.000 0.321 266 T C 1.230 175.960 174.700 0.050 0.000 1.080 266 T CA 0.426 62.551 62.100 0.042 0.000 1.132 266 T CB 0.465 69.396 68.868 0.106 0.000 1.039 266 T HN 0.820 nan 8.240 nan 0.000 0.543 267 E N 2.334 122.568 120.200 0.057 0.000 2.347 267 E HA -0.018 0.455 4.350 -6.462 0.000 0.196 267 E C 2.089 178.393 176.600 -0.493 0.000 1.008 267 E CA 0.948 57.171 56.400 -0.296 0.000 0.852 267 E CB -0.720 28.613 29.700 -0.613 0.000 0.783 267 E HN 0.927 nan 8.360 nan 0.000 0.505 268 G N 0.765 109.485 108.800 -0.134 0.000 2.469 268 G HA2 -0.352 -0.269 3.960 -6.462 0.000 0.220 268 G HA3 -0.352 -0.269 3.960 -6.462 0.000 0.220 268 G C 1.641 176.550 174.900 0.015 0.000 1.136 268 G CA 1.004 46.174 45.100 0.116 0.000 0.759 268 G HN 0.416 nan 8.290 nan 0.000 0.562 269 C N -0.119 119.175 119.300 -0.010 0.000 2.376 269 C HA -0.111 0.472 4.460 -6.462 0.000 0.275 269 C C 2.978 177.937 174.990 -0.051 0.000 1.200 269 C CA 1.209 60.214 59.018 -0.022 0.000 1.756 269 C CB -0.952 26.774 27.740 -0.022 0.000 2.050 269 C HN 0.496 nan 8.230 nan 0.000 0.460 270 R N 0.090 120.525 120.500 -0.109 0.000 2.090 270 R HA -0.030 0.433 4.340 -6.462 0.000 0.228 270 R C 2.470 178.702 176.300 -0.113 0.000 1.110 270 R CA 1.421 57.447 56.100 -0.123 0.000 0.973 270 R CB -0.647 29.543 30.300 -0.184 0.000 0.869 270 R HN 0.642 nan 8.270 nan 0.000 0.440 271 G N 0.738 109.448 108.800 -0.149 0.000 2.443 271 G HA2 -0.206 -0.123 3.960 -6.462 0.000 0.219 271 G HA3 -0.206 -0.123 3.960 -6.462 0.000 0.219 271 G C 1.113 176.029 174.900 0.027 0.000 1.131 271 G CA 0.388 45.447 45.100 -0.068 0.000 0.775 271 G HN 0.220 nan 8.290 nan 0.000 0.547 272 E N -0.068 120.157 120.200 0.042 0.000 2.435 272 E HA 0.138 0.611 4.350 -6.462 0.000 0.195 272 E C 1.749 178.382 176.600 0.055 0.000 1.029 272 E CA 0.695 57.141 56.400 0.077 0.000 0.865 272 E CB 0.351 30.098 29.700 0.078 0.000 0.833 272 E HN 0.473 nan 8.360 nan 0.000 0.510 273 G N 0.751 109.572 108.800 0.034 0.000 2.200 273 G HA2 -0.147 -0.064 3.960 -6.462 0.000 0.145 273 G HA3 -0.147 -0.064 3.960 -6.462 0.000 0.145 273 G C 0.542 175.503 174.900 0.102 0.000 1.021 273 G CA -0.320 44.822 45.100 0.070 0.000 0.720 273 G HN 0.393 nan 8.290 nan 0.000 0.494 274 G N 0.257 109.068 108.800 0.019 0.000 2.441 274 G HA2 0.529 0.612 3.960 -6.462 0.000 0.243 274 G HA3 0.529 0.612 3.960 -6.462 0.000 0.243 274 G C 0.039 174.949 174.900 0.016 0.000 1.281 274 G CA -0.008 45.097 45.100 0.008 0.000 0.854 274 G HN 0.383 nan 8.290 nan 0.000 0.560 275 I N 1.206 121.806 120.570 0.049 0.000 2.693 275 I HA 0.375 0.668 4.170 -6.462 0.000 0.303 275 I C -0.660 175.436 176.117 -0.035 0.000 1.025 275 I CA -1.181 60.111 61.300 -0.015 0.000 1.086 275 I CB 1.767 39.761 38.000 -0.011 0.000 1.268 275 I HN 0.147 nan 8.210 nan 0.000 0.440 276 L N 5.441 126.577 121.223 -0.145 0.000 2.287 276 L HA 0.504 0.967 4.340 -6.462 0.000 0.287 276 L C -0.450 176.364 176.870 -0.094 0.000 1.022 276 L CA -0.104 54.648 54.840 -0.145 0.000 0.814 276 L CB 1.118 42.949 42.059 -0.379 0.000 1.217 276 L HN 0.334 nan 8.230 nan 0.000 0.420 277 I N 4.254 124.975 120.570 0.251 0.000 2.465 277 I HA 0.401 0.694 4.170 -6.462 0.000 0.291 277 I C 0.010 176.379 176.117 0.420 0.000 1.014 277 I CA -0.414 61.088 61.300 0.336 0.000 1.093 277 I CB 1.632 39.786 38.000 0.257 0.000 1.267 277 I HN 0.689 nan 8.210 nan 0.000 0.431 278 N N 3.181 122.111 118.700 0.384 0.000 2.495 278 N HA 0.191 1.054 4.740 -6.462 0.000 0.294 278 N C 0.979 176.542 175.510 0.088 0.000 1.276 278 N CA -0.088 53.037 53.050 0.124 0.000 0.973 278 N CB 0.056 38.548 38.487 0.010 0.000 1.143 278 N HN 0.505 nan 8.380 nan 0.000 0.589 279 S N -1.808 113.892 115.700 0.000 0.000 2.419 279 S HA -0.197 0.396 4.470 -6.462 0.000 0.233 279 S C 1.368 176.000 174.600 0.054 0.000 1.016 279 S CA 0.985 59.192 58.200 0.012 0.000 0.974 279 S CB -0.496 62.678 63.200 -0.044 0.000 0.786 279 S HN 0.730 nan 8.310 nan 0.000 0.492 280 Q N 0.484 120.317 119.800 0.055 0.000 2.280 280 Q HA 0.321 0.784 4.340 -6.462 0.000 0.201 280 Q C 1.264 177.309 176.000 0.076 0.000 0.890 280 Q CA 0.336 56.173 55.803 0.056 0.000 0.947 280 Q CB -0.206 28.555 28.738 0.039 0.000 1.081 280 Q HN 0.771 nan 8.270 nan 0.000 0.502 281 G N 0.884 109.749 108.800 0.109 0.000 2.267 281 G HA2 -0.322 -0.239 3.960 -6.462 0.000 0.257 281 G HA3 -0.322 -0.239 3.960 -6.462 0.000 0.257 281 G C 0.036 175.000 174.900 0.107 0.000 0.998 281 G CA 0.356 45.525 45.100 0.115 0.000 0.620 281 G HN 0.463 nan 8.290 nan 0.000 0.529 282 E N 1.323 121.587 120.200 0.107 0.000 2.417 282 E HA 0.111 0.584 4.350 -6.462 0.000 0.261 282 E C 0.773 177.456 176.600 0.138 0.000 1.000 282 E CA -0.406 56.055 56.400 0.102 0.000 0.919 282 E CB 0.194 29.952 29.700 0.098 0.000 0.955 282 E HN 0.441 nan 8.360 nan 0.000 0.455 283 R N 5.592 126.132 120.500 0.066 0.000 2.606 283 R HA -0.050 0.413 4.340 -6.462 0.000 0.276 283 R C 0.924 177.221 176.300 -0.005 0.000 1.416 283 R CA -0.079 56.018 56.100 -0.005 0.000 1.064 283 R CB -0.603 29.663 30.300 -0.056 0.000 1.117 283 R HN 0.547 nan 8.270 nan 0.000 0.543 284 F N 2.308 122.308 119.950 0.082 0.000 2.333 284 F HA -0.120 0.529 4.527 -6.463 0.000 0.300 284 F C 1.203 177.136 175.800 0.222 0.000 1.083 284 F CA 0.477 58.562 58.000 0.143 0.000 1.395 284 F CB -0.164 38.941 39.000 0.175 0.000 1.056 284 F HN 0.299 nan 8.300 nan 0.000 0.529 285 M N 0.869 120.257 119.600 -0.354 0.000 2.630 285 M HA -0.047 0.556 4.480 -6.462 0.000 0.254 285 M C 1.886 178.196 176.300 0.016 0.000 1.092 285 M CA 0.779 55.995 55.300 -0.140 0.000 1.087 285 M CB -1.242 31.144 32.600 -0.356 0.000 1.453 285 M HN 0.442 nan 8.290 nan 0.000 0.509 286 E N -0.167 120.036 120.200 0.005 0.000 2.285 286 E HA -0.116 0.357 4.350 -6.462 0.000 0.194 286 E C 2.120 178.744 176.600 0.041 0.000 0.997 286 E CA 0.502 56.912 56.400 0.017 0.000 0.845 286 E CB 0.297 29.995 29.700 -0.004 0.000 0.782 286 E HN 0.365 nan 8.360 nan 0.000 0.491 287 R N -1.114 119.425 120.500 0.066 0.000 2.100 287 R HA -0.057 0.406 4.340 -6.462 0.000 0.220 287 R C 1.448 177.694 176.300 -0.089 0.000 1.091 287 R CA 0.959 57.038 56.100 -0.035 0.000 0.986 287 R CB 0.104 30.346 30.300 -0.097 0.000 0.888 287 R HN 0.203 nan 8.270 nan 0.000 0.444 288 Y N -0.562 119.789 120.300 0.085 0.000 2.201 288 Y HA 0.236 0.909 4.550 -6.463 0.000 0.292 288 Y C 0.749 176.693 175.900 0.074 0.000 1.119 288 Y CA 0.655 58.809 58.100 0.091 0.000 1.127 288 Y CB 0.255 38.791 38.460 0.127 0.000 1.019 288 Y HN 0.007 nan 8.280 nan 0.000 0.514 289 A N 0.396 123.350 122.820 0.223 0.000 2.293 289 A HA 0.421 0.864 4.320 -6.462 0.000 0.312 289 A C -2.209 175.432 177.584 0.094 0.000 1.309 289 A CA -1.471 50.657 52.037 0.152 0.000 0.839 289 A CB 0.486 19.576 19.000 0.151 0.000 1.155 289 A HN 0.048 nan 8.150 nan 0.000 0.501 290 P HA -0.085 nan 4.420 nan 0.000 0.215 290 P C 1.507 178.830 177.300 0.039 0.000 1.157 290 P CA 0.957 64.083 63.100 0.043 0.000 0.859 290 P CB 0.166 31.885 31.700 0.032 0.000 0.786 291 V N 0.142 120.087 119.914 0.051 0.000 2.302 291 V HA -0.082 0.161 4.120 -6.462 0.000 0.243 291 V C 2.391 178.516 176.094 0.052 0.000 1.036 291 V CA 2.254 64.581 62.300 0.046 0.000 1.020 291 V CB -1.811 30.040 31.823 0.048 0.000 0.657 291 V HN 0.063 nan 8.190 nan 0.000 0.453 292 A N -1.862 121.009 122.820 0.085 0.000 2.195 292 A HA 0.159 0.602 4.320 -6.462 0.000 0.210 292 A C 1.249 178.842 177.584 0.015 0.000 1.165 292 A CA 0.529 52.609 52.037 0.073 0.000 0.806 292 A CB -0.074 19.021 19.000 0.160 0.000 0.847 292 A HN 0.546 nan 8.150 nan 0.000 0.482 293 K N -0.960 119.450 120.400 0.016 0.000 1.939 293 K HA -0.251 0.192 4.320 -6.462 0.000 0.165 293 K C -0.049 176.511 176.600 -0.067 0.000 1.508 293 K CA 1.807 58.080 56.287 -0.023 0.000 0.525 293 K CB -1.049 31.427 32.500 -0.040 0.000 0.615 293 K HN 0.542 nan 8.250 nan 0.000 0.888 294 D N 0.567 120.897 120.400 -0.117 0.000 2.323 294 D HA 0.109 0.872 4.640 -6.462 0.000 0.239 294 D C 0.550 176.751 176.300 -0.164 0.000 1.129 294 D CA 0.179 54.082 54.000 -0.163 0.000 0.865 294 D CB 0.132 40.806 40.800 -0.211 0.000 0.913 294 D HN 0.185 nan 8.370 nan 0.000 0.517 295 L N 0.225 121.364 121.223 -0.141 0.000 3.017 295 L HA 0.501 0.964 4.340 -6.462 0.000 0.255 295 L C 0.344 177.098 176.870 -0.193 0.000 1.247 295 L CA -0.705 54.034 54.840 -0.169 0.000 1.038 295 L CB -0.464 41.518 42.059 -0.128 0.000 1.380 295 L HN 0.082 nan 8.230 nan 0.000 0.548 296 A N -1.255 121.439 122.820 -0.210 0.000 2.246 296 A HA 0.622 1.065 4.320 -6.462 0.000 0.291 296 A C 0.672 177.986 177.584 -0.451 0.000 1.103 296 A CA -0.296 51.538 52.037 -0.339 0.000 0.844 296 A CB 0.231 19.135 19.000 -0.160 0.000 1.136 296 A HN 0.256 nan 8.150 nan 0.000 0.500 297 S N -0.230 115.046 115.700 -0.707 0.000 2.566 297 S HA 0.052 0.645 4.470 -6.462 0.000 0.280 297 S C 1.559 176.001 174.600 -0.264 0.000 1.343 297 S CA -0.334 57.580 58.200 -0.478 0.000 1.036 297 S CB 0.341 63.277 63.200 -0.440 0.000 0.866 297 S HN 0.620 nan 8.310 nan 0.000 0.526 298 R N 1.672 122.044 120.500 -0.214 0.000 2.105 298 R HA -0.136 0.327 4.340 -6.462 0.000 0.239 298 R C 1.808 178.039 176.300 -0.116 0.000 1.135 298 R CA 1.713 57.696 56.100 -0.195 0.000 0.967 298 R CB -0.546 29.636 30.300 -0.197 0.000 0.861 298 R HN 0.805 nan 8.270 nan 0.000 0.442 299 D N 0.366 120.727 120.400 -0.064 0.000 2.178 299 D HA -0.099 0.664 4.640 -6.462 0.000 0.202 299 D C 1.854 178.118 176.300 -0.060 0.000 0.974 299 D CA 0.899 54.882 54.000 -0.027 0.000 0.841 299 D CB -0.361 40.459 40.800 0.033 0.000 0.953 299 D HN 0.063 nan 8.370 nan 0.000 0.478 300 V N 0.930 120.814 119.914 -0.049 0.000 2.323 300 V HA -0.177 0.066 4.120 -6.462 0.000 0.244 300 V C 2.978 179.027 176.094 -0.076 0.000 1.041 300 V CA 1.098 63.383 62.300 -0.025 0.000 1.025 300 V CB -0.359 31.487 31.823 0.038 0.000 0.656 300 V HN 0.083 nan 8.190 nan 0.000 0.451 301 V N 1.351 121.205 119.914 -0.101 0.000 2.255 301 V HA -0.259 -0.016 4.120 -6.462 0.000 0.247 301 V C 2.785 178.829 176.094 -0.084 0.000 1.051 301 V CA 2.490 64.731 62.300 -0.099 0.000 1.018 301 V CB -1.083 30.661 31.823 -0.131 0.000 0.641 301 V HN 0.747 nan 8.190 nan 0.000 0.445 302 S N 1.365 117.008 115.700 -0.096 0.000 2.382 302 S HA -0.299 0.294 4.470 -6.462 0.000 0.228 302 S C 2.091 176.602 174.600 -0.150 0.000 1.027 302 S CA 1.751 59.899 58.200 -0.087 0.000 0.991 302 S CB -0.626 62.543 63.200 -0.052 0.000 0.823 302 S HN 0.658 nan 8.310 nan 0.000 0.469 303 R N 1.276 121.653 120.500 -0.204 0.000 2.148 303 R HA 0.036 0.500 4.340 -6.462 0.000 0.227 303 R C 1.996 178.226 176.300 -0.117 0.000 1.103 303 R CA 1.508 57.451 56.100 -0.262 0.000 0.983 303 R CB -0.557 29.526 30.300 -0.362 0.000 0.874 303 R HN 0.436 nan 8.270 nan 0.000 0.451 304 S N 0.771 116.318 115.700 -0.255 0.000 2.371 304 S HA -0.075 0.518 4.470 -6.462 0.000 0.224 304 S C 1.874 176.210 174.600 -0.439 0.000 1.029 304 S CA 1.504 59.311 58.200 -0.654 0.000 0.978 304 S CB -0.117 62.551 63.200 -0.887 0.000 0.833 304 S HN 0.314 nan 8.310 nan 0.000 0.466 305 M N 1.144 120.628 119.600 -0.193 0.000 2.059 305 M HA -0.116 0.487 4.480 -6.462 0.000 0.259 305 M C 2.375 178.565 176.300 -0.183 0.000 1.072 305 M CA 1.516 56.698 55.300 -0.197 0.000 1.117 305 M CB -1.262 31.330 32.600 -0.013 0.000 1.320 305 M HN 0.233 nan 8.290 nan 0.000 0.408 306 T N 1.075 115.578 114.554 -0.085 0.000 2.803 306 T HA -0.151 0.322 4.350 -6.462 0.000 0.269 306 T C 1.688 176.410 174.700 0.035 0.000 1.052 306 T CA 1.136 63.234 62.100 -0.003 0.000 1.136 306 T CB -0.276 68.616 68.868 0.040 0.000 0.864 306 T HN 0.175 nan 8.240 nan 0.000 0.467 307 L N 0.739 121.991 121.223 0.047 0.000 2.240 307 L HA 0.099 0.562 4.340 -6.462 0.000 0.211 307 L C 2.385 179.228 176.870 -0.046 0.000 1.106 307 L CA 1.384 56.234 54.840 0.017 0.000 0.793 307 L CB -0.331 41.794 42.059 0.111 0.000 0.927 307 L HN 0.049 nan 8.230 nan 0.000 0.446 308 E N -0.416 119.695 120.200 -0.149 0.000 2.208 308 E HA -0.112 0.361 4.350 -6.462 0.000 0.193 308 E C 2.235 178.720 176.600 -0.192 0.000 0.988 308 E CA 1.086 57.357 56.400 -0.216 0.000 0.828 308 E CB 0.015 29.377 29.700 -0.563 0.000 0.763 308 E HN 0.546 nan 8.360 nan 0.000 0.478 309 I N 0.359 120.827 120.570 -0.170 0.000 2.333 309 I HA -0.187 0.106 4.170 -6.462 0.000 0.246 309 I C 2.557 178.614 176.117 -0.100 0.000 1.106 309 I CA 0.614 61.833 61.300 -0.134 0.000 1.411 309 I CB -0.177 37.761 38.000 -0.103 0.000 1.082 309 I HN -0.054 nan 8.210 nan 0.000 0.420 310 R N 0.983 121.429 120.500 -0.089 0.000 2.096 310 R HA -0.187 0.276 4.340 -6.462 0.000 0.240 310 R C 2.013 178.262 176.300 -0.084 0.000 1.139 310 R CA 1.573 57.618 56.100 -0.091 0.000 0.952 310 R CB -0.339 29.889 30.300 -0.121 0.000 0.854 310 R HN 0.411 nan 8.270 nan 0.000 0.436 311 E N -1.116 119.038 120.200 -0.077 0.000 2.418 311 E HA -0.035 0.438 4.350 -6.462 0.000 0.197 311 E C 1.304 177.866 176.600 -0.063 0.000 1.026 311 E CA 1.038 57.400 56.400 -0.064 0.000 0.862 311 E CB 0.291 29.962 29.700 -0.048 0.000 0.799 311 E HN 0.632 nan 8.360 nan 0.000 0.518 312 G N 1.533 110.289 108.800 -0.075 0.000 2.229 312 G HA2 -0.224 -0.141 3.960 -6.462 0.000 0.189 312 G HA3 -0.224 -0.141 3.960 -6.462 0.000 0.189 312 G C 0.500 175.348 174.900 -0.086 0.000 1.000 312 G CA -0.326 44.730 45.100 -0.073 0.000 0.663 312 G HN 0.145 nan 8.290 nan 0.000 0.493 313 R N 1.644 122.084 120.500 -0.100 0.000 4.496 313 R HA 0.504 0.968 4.340 -6.462 0.000 0.211 313 R C 1.336 177.533 176.300 -0.170 0.000 1.738 313 R CA 0.690 56.721 56.100 -0.116 0.000 1.528 313 R CB 0.158 30.394 30.300 -0.105 0.000 1.414 313 R HN 0.419 nan 8.270 nan 0.000 0.812 314 G N -1.214 107.478 108.800 -0.180 0.000 2.588 314 G HA2 0.164 0.247 3.960 -6.462 0.000 0.281 314 G HA3 0.164 0.247 3.960 -6.462 0.000 0.281 314 G C 0.253 174.954 174.900 -0.333 0.000 1.236 314 G CA -0.519 44.424 45.100 -0.261 0.000 0.969 314 G HN 0.505 nan 8.290 nan 0.000 0.504 315 C N -0.964 117.997 119.300 -0.565 0.000 3.931 315 C HA 0.436 1.020 4.460 -6.462 0.000 0.378 315 C C 1.556 176.122 174.990 -0.707 0.000 1.554 315 C CA 0.072 58.691 59.018 -0.664 0.000 1.926 315 C CB -0.181 26.974 27.740 -0.976 0.000 2.837 315 C HN 0.884 nan 8.230 nan 0.000 0.701 316 G N 1.482 109.698 108.800 -0.973 0.000 2.580 316 G HA2 0.396 0.479 3.960 -6.462 0.000 0.278 316 G HA3 0.396 0.479 3.960 -6.462 0.000 0.278 316 G C -1.697 173.080 174.900 -0.205 0.000 1.212 316 G CA -0.370 44.398 45.100 -0.552 0.000 0.939 316 G HN 0.103 nan 8.290 nan 0.000 0.513 317 P HA 0.053 nan 4.420 nan 0.000 0.239 317 P C 0.604 177.890 177.300 -0.025 0.000 1.184 317 P CA 1.044 64.134 63.100 -0.016 0.000 0.760 317 P CB 0.456 32.175 31.700 0.033 0.000 0.884 318 E N -0.788 119.377 120.200 -0.058 0.000 2.759 318 E HA 0.099 0.572 4.350 -6.462 0.000 0.220 318 E C -0.474 176.071 176.600 -0.092 0.000 0.974 318 E CA -0.212 56.166 56.400 -0.037 0.000 1.148 318 E CB 0.090 29.808 29.700 0.031 0.000 1.059 318 E HN -0.128 nan 8.360 nan 0.000 0.493 319 K N 1.876 122.162 120.400 -0.189 0.000 4.007 319 K HA -0.178 0.265 4.320 -6.462 0.000 0.279 319 K C -0.714 175.756 176.600 -0.216 0.000 0.919 319 K CA 1.023 57.165 56.287 -0.243 0.000 0.800 319 K CB -0.999 31.407 32.500 -0.157 0.000 1.572 319 K HN 0.336 nan 8.250 nan 0.000 0.443 320 D N -1.443 118.782 120.400 -0.291 0.000 2.516 320 D HA 0.009 0.772 4.640 -6.462 0.000 0.241 320 D C 0.606 176.870 176.300 -0.061 0.000 1.246 320 D CA 0.163 54.100 54.000 -0.104 0.000 0.808 320 D CB 0.141 40.988 40.800 0.078 0.000 1.147 320 D HN 0.643 nan 8.370 nan 0.000 0.527 321 H N -1.975 116.977 119.070 -0.196 0.000 3.218 321 H HA 0.815 1.493 4.556 -6.462 0.000 0.303 321 H C -1.235 173.938 175.328 -0.259 0.000 1.605 321 H CA -1.082 54.857 56.048 -0.183 0.000 1.298 321 H CB 1.312 30.949 29.762 -0.209 0.000 1.856 321 H HN -0.166 nan 8.280 nan 0.000 0.656 322 V N 0.176 120.101 119.914 0.018 0.000 3.087 322 V HA 0.226 0.469 4.120 -6.462 0.000 0.306 322 V C -1.453 174.664 176.094 0.039 0.000 1.187 322 V CA -0.810 61.446 62.300 -0.072 0.000 0.999 322 V CB 2.482 34.315 31.823 0.016 0.000 1.049 322 V HN 0.582 nan 8.190 nan 0.000 0.431 323 Y N 2.842 123.266 120.300 0.206 0.000 2.308 323 Y HA 0.532 1.205 4.550 -6.461 0.000 0.329 323 Y C 0.205 176.186 175.900 0.136 0.000 1.111 323 Y CA -0.915 57.283 58.100 0.164 0.000 1.179 323 Y CB 1.173 39.721 38.460 0.147 0.000 1.201 323 Y HN 0.373 nan 8.280 nan 0.000 0.483 324 L N 4.552 125.941 121.223 0.276 0.000 2.264 324 L HA 0.363 0.826 4.340 -6.462 0.000 0.287 324 L C -0.426 176.505 176.870 0.101 0.000 1.039 324 L CA -0.500 54.427 54.840 0.146 0.000 0.829 324 L CB 0.780 42.895 42.059 0.095 0.000 1.211 324 L HN 0.694 nan 8.230 nan 0.000 0.427 325 Q N 3.877 123.717 119.800 0.067 0.000 2.267 325 Q HA 0.313 0.776 4.340 -6.462 0.000 0.255 325 Q C -0.214 175.716 176.000 -0.117 0.000 0.923 325 Q CA -0.215 55.569 55.803 -0.032 0.000 0.925 325 Q CB 1.437 30.150 28.738 -0.042 0.000 1.195 325 Q HN 0.837 nan 8.270 nan 0.000 0.417 326 L N 3.027 124.109 121.223 -0.235 0.000 2.948 326 L HA 0.072 0.535 4.340 -6.462 0.000 0.259 326 L C 1.723 178.350 176.870 -0.405 0.000 1.136 326 L CA -0.185 54.472 54.840 -0.306 0.000 0.959 326 L CB 0.033 42.015 42.059 -0.129 0.000 1.370 326 L HN 0.779 nan 8.230 nan 0.000 0.552 327 H N -0.099 118.883 119.070 -0.145 0.000 2.518 327 H HA -0.132 0.547 4.556 -6.461 0.000 0.289 327 H C 1.721 177.005 175.328 -0.074 0.000 1.051 327 H CA 1.345 57.340 56.048 -0.089 0.000 1.280 327 H CB -0.457 29.289 29.762 -0.026 0.000 1.380 327 H HN 0.588 nan 8.280 nan 0.000 0.566 328 H N 0.504 119.529 119.070 -0.076 0.000 2.470 328 H HA 0.065 0.744 4.556 -6.462 0.000 0.289 328 H C 0.552 175.881 175.328 0.001 0.000 1.033 328 H CA -0.283 55.760 56.048 -0.009 0.000 1.331 328 H CB -0.171 29.560 29.762 -0.052 0.000 1.414 328 H HN 0.092 nan 8.280 nan 0.000 0.545 329 L N 3.181 124.202 121.223 -0.336 0.000 2.456 329 L HA 0.195 0.658 4.340 -6.462 0.000 0.272 329 L C -1.893 174.944 176.870 -0.054 0.000 1.189 329 L CA -1.955 52.799 54.840 -0.143 0.000 0.846 329 L CB 0.140 42.081 42.059 -0.197 0.000 1.111 329 L HN 0.062 nan 8.230 nan 0.000 0.475 330 P HA 0.003 nan 4.420 nan 0.000 0.264 330 P C -1.835 175.458 177.300 -0.011 0.000 1.179 330 P CA -0.625 62.475 63.100 0.000 0.000 0.763 330 P CB -0.004 31.700 31.700 0.007 0.000 0.806 331 P HA -0.194 nan 4.420 nan 0.000 0.216 331 P C 1.324 178.617 177.300 -0.012 0.000 1.150 331 P CA 1.441 64.537 63.100 -0.007 0.000 0.837 331 P CB -0.187 31.512 31.700 -0.002 0.000 0.786 332 E N 0.173 120.367 120.200 -0.011 0.000 2.208 332 E HA -0.216 0.257 4.350 -6.462 0.000 0.193 332 E C 1.991 178.578 176.600 -0.022 0.000 0.988 332 E CA 0.917 57.307 56.400 -0.016 0.000 0.828 332 E CB -0.870 28.822 29.700 -0.014 0.000 0.763 332 E HN 0.369 nan 8.360 nan 0.000 0.478 333 Q N 0.807 120.597 119.800 -0.017 0.000 2.049 333 Q HA -0.061 0.402 4.340 -6.462 0.000 0.198 333 Q C 2.502 178.490 176.000 -0.020 0.000 0.971 333 Q CA 0.885 56.678 55.803 -0.017 0.000 0.833 333 Q CB 0.010 28.745 28.738 -0.005 0.000 0.896 333 Q HN 0.322 nan 8.270 nan 0.000 0.434 334 L N 0.226 121.436 121.223 -0.023 0.000 2.083 334 L HA -0.165 0.298 4.340 -6.462 0.000 0.209 334 L C 2.564 179.423 176.870 -0.019 0.000 1.083 334 L CA 1.095 55.922 54.840 -0.022 0.000 0.752 334 L CB -0.584 41.460 42.059 -0.026 0.000 0.899 334 L HN 0.235 nan 8.230 nan 0.000 0.433 335 A N -0.505 122.302 122.820 -0.021 0.000 1.933 335 A HA -0.116 0.327 4.320 -6.462 0.000 0.218 335 A C 2.244 179.810 177.584 -0.030 0.000 1.175 335 A CA 1.952 53.976 52.037 -0.023 0.000 0.628 335 A CB -0.567 18.420 19.000 -0.021 0.000 0.814 335 A HN 0.227 nan 8.150 nan 0.000 0.444 336 V N -0.907 118.983 119.914 -0.040 0.000 2.685 336 V HA -0.013 0.230 4.120 -6.462 0.000 0.244 336 V C 2.483 178.538 176.094 -0.065 0.000 1.054 336 V CA 1.123 63.386 62.300 -0.060 0.000 1.076 336 V CB -0.555 31.218 31.823 -0.084 0.000 0.725 336 V HN 0.377 nan 8.190 nan 0.000 0.467 337 R N 0.449 120.922 120.500 -0.045 0.000 2.090 337 R HA 0.277 0.740 4.340 -6.462 0.000 0.219 337 R C 0.948 177.262 176.300 0.023 0.000 1.100 337 R CA 0.820 56.914 56.100 -0.010 0.000 0.991 337 R CB -0.172 30.145 30.300 0.029 0.000 0.893 337 R HN 0.393 nan 8.270 nan 0.000 0.443 338 L N 2.086 123.315 121.223 0.010 0.000 2.960 338 L HA 0.298 0.762 4.340 -6.462 0.000 0.274 338 L C -1.787 175.083 176.870 -0.000 0.000 1.327 338 L CA -1.057 53.792 54.840 0.014 0.000 0.860 338 L CB 1.511 43.579 42.059 0.016 0.000 1.239 338 L HN -0.093 nan 8.230 nan 0.000 0.551 339 P HA -0.039 nan 4.420 nan 0.000 0.225 339 P C 1.449 178.739 177.300 -0.015 0.000 1.156 339 P CA 0.977 64.067 63.100 -0.016 0.000 0.787 339 P CB 0.483 32.167 31.700 -0.027 0.000 0.802 340 G N 1.008 109.797 108.800 -0.017 0.000 2.453 340 G HA2 -0.118 -0.035 3.960 -6.462 0.000 0.215 340 G HA3 -0.118 -0.035 3.960 -6.462 0.000 0.215 340 G C 1.413 176.311 174.900 -0.002 0.000 1.147 340 G CA 0.576 45.664 45.100 -0.020 0.000 0.802 340 G HN 0.369 nan 8.290 nan 0.000 0.535 341 I N -1.539 119.033 120.570 0.003 0.000 2.876 341 I HA 0.209 0.502 4.170 -6.462 0.000 0.264 341 I C 2.396 178.525 176.117 0.020 0.000 1.204 341 I CA 0.988 62.294 61.300 0.009 0.000 1.485 341 I CB -0.169 37.834 38.000 0.004 0.000 1.103 341 I HN -0.099 nan 8.210 nan 0.000 0.446 342 S N 0.977 116.685 115.700 0.013 0.000 2.359 342 S HA -0.199 0.394 4.470 -6.462 0.000 0.224 342 S C 1.964 176.579 174.600 0.025 0.000 1.035 342 S CA 1.827 60.036 58.200 0.015 0.000 1.018 342 S CB -0.402 62.801 63.200 0.004 0.000 0.876 342 S HN 0.578 nan 8.310 nan 0.000 0.448 343 E N 0.303 120.518 120.200 0.024 0.000 2.031 343 E HA -0.130 0.343 4.350 -6.462 0.000 0.193 343 E C 2.362 179.009 176.600 0.078 0.000 0.994 343 E CA 1.716 58.137 56.400 0.035 0.000 0.800 343 E CB -0.266 29.448 29.700 0.023 0.000 0.752 343 E HN 0.695 nan 8.360 nan 0.000 0.447 344 T N -1.103 113.512 114.554 0.102 0.000 3.055 344 T HA 0.118 0.591 4.350 -6.462 0.000 0.265 344 T C 1.900 176.730 174.700 0.218 0.000 1.111 344 T CA 0.746 62.971 62.100 0.208 0.000 1.118 344 T CB 0.095 69.043 68.868 0.133 0.000 0.909 344 T HN 0.122 nan 8.240 nan 0.000 0.501 345 A N 1.645 124.535 122.820 0.117 0.000 1.897 345 A HA 0.161 0.604 4.320 -6.462 0.000 0.215 345 A C 2.281 179.930 177.584 0.108 0.000 1.181 345 A CA 1.621 53.720 52.037 0.104 0.000 0.620 345 A CB -0.648 18.389 19.000 0.062 0.000 0.821 345 A HN 0.452 nan 8.150 nan 0.000 0.443 346 M N 0.051 119.699 119.600 0.080 0.000 2.132 346 M HA 0.045 0.648 4.480 -6.462 0.000 0.263 346 M C 1.764 178.088 176.300 0.039 0.000 1.065 346 M CA 1.525 56.855 55.300 0.050 0.000 1.122 346 M CB -0.623 31.993 32.600 0.027 0.000 1.365 346 M HN 0.354 nan 8.290 nan 0.000 0.411 347 I N -1.036 119.564 120.570 0.050 0.000 2.226 347 I HA -0.259 0.034 4.170 -6.462 0.000 0.245 347 I C 1.488 177.502 176.117 -0.172 0.000 1.100 347 I CA 1.314 62.574 61.300 -0.067 0.000 1.374 347 I CB -0.296 37.658 38.000 -0.076 0.000 1.057 347 I HN 0.191 nan 8.210 nan 0.000 0.413 348 F N -0.367 119.588 119.950 0.010 0.000 2.656 348 F HA 0.242 0.893 4.527 -6.461 0.000 0.291 348 F C 1.945 177.759 175.800 0.023 0.000 1.122 348 F CA 0.587 58.595 58.000 0.012 0.000 1.427 348 F CB 0.073 39.077 39.000 0.006 0.000 1.125 348 F HN -0.082 nan 8.300 nan 0.000 0.583 349 A N -0.754 122.176 122.820 0.184 0.000 2.585 349 A HA 0.517 0.960 4.320 -6.462 0.000 0.266 349 A C 1.542 179.177 177.584 0.086 0.000 1.178 349 A CA 0.367 52.484 52.037 0.133 0.000 0.966 349 A CB -0.675 18.404 19.000 0.132 0.000 1.170 349 A HN 0.375 nan 8.150 nan 0.000 0.558 350 G N -0.204 108.631 108.800 0.059 0.000 2.341 350 G HA2 -0.166 -0.083 3.960 -6.462 0.000 0.292 350 G HA3 -0.166 -0.083 3.960 -6.462 0.000 0.292 350 G C 0.028 174.948 174.900 0.033 0.000 1.021 350 G CA 0.595 45.715 45.100 0.033 0.000 0.905 350 G HN 0.919 nan 8.290 nan 0.000 0.508 351 V N 0.504 120.443 119.914 0.042 0.000 2.398 351 V HA 0.376 0.619 4.120 -6.462 0.000 0.286 351 V C 0.033 176.141 176.094 0.024 0.000 1.026 351 V CA -0.996 61.323 62.300 0.032 0.000 0.868 351 V CB 1.883 33.734 31.823 0.045 0.000 0.982 351 V HN 0.354 nan 8.190 nan 0.000 0.443 352 D N 3.575 123.982 120.400 0.010 0.000 2.336 352 D HA 0.122 0.885 4.640 -6.462 0.000 0.249 352 D C 1.136 177.446 176.300 0.016 0.000 1.213 352 D CA -0.136 53.868 54.000 0.007 0.000 0.870 352 D CB 1.925 42.722 40.800 -0.005 0.000 1.076 352 D HN 0.408 nan 8.370 nan 0.000 0.483 353 V N 2.238 122.164 119.914 0.021 0.000 2.594 353 V HA -0.142 0.101 4.120 -6.462 0.000 0.253 353 V C 1.952 178.069 176.094 0.039 0.000 1.069 353 V CA 1.797 64.114 62.300 0.028 0.000 1.082 353 V CB -1.028 30.802 31.823 0.013 0.000 0.680 353 V HN 0.532 nan 8.190 nan 0.000 0.469 354 T N -1.220 113.350 114.554 0.027 0.000 3.118 354 T HA 0.062 0.535 4.350 -6.462 0.000 0.260 354 T C 1.577 176.307 174.700 0.050 0.000 1.139 354 T CA 1.458 63.578 62.100 0.033 0.000 1.085 354 T CB -0.139 68.735 68.868 0.011 0.000 0.934 354 T HN 0.683 nan 8.240 nan 0.000 0.518 355 K N -0.666 119.745 120.400 0.018 0.000 2.493 355 K HA 0.232 0.675 4.320 -6.462 0.000 0.201 355 K C 0.100 176.573 176.600 -0.211 0.000 1.355 355 K CA 0.046 56.278 56.287 -0.091 0.000 0.953 355 K CB 0.991 33.442 32.500 -0.083 0.000 1.316 355 K HN 0.158 nan 8.250 nan 0.000 0.522 356 E N 1.362 121.536 120.200 -0.044 0.000 2.299 356 E HA 0.349 0.822 4.350 -6.462 0.000 0.265 356 E C -2.723 173.940 176.600 0.105 0.000 0.911 356 E CA -2.159 54.223 56.400 -0.031 0.000 0.789 356 E CB 2.042 31.698 29.700 -0.074 0.000 1.246 356 E HN -0.072 nan 8.360 nan 0.000 0.427 357 P HA 0.317 nan 4.420 nan 0.000 0.279 357 P C -0.184 177.132 177.300 0.027 0.000 1.252 357 P CA -0.510 62.605 63.100 0.024 0.000 0.811 357 P CB 0.905 32.574 31.700 -0.051 0.000 1.035 358 I N 1.134 121.763 120.570 0.098 0.000 2.428 358 I HA 0.244 0.537 4.170 -6.462 0.000 0.289 358 I C -2.323 173.928 176.117 0.224 0.000 1.019 358 I CA -3.057 58.316 61.300 0.123 0.000 1.351 358 I CB 0.269 38.320 38.000 0.086 0.000 1.412 358 I HN 0.084 nan 8.210 nan 0.000 0.513 359 P HA 0.154 nan 4.420 nan 0.000 0.275 359 P C -0.461 176.843 177.300 0.008 0.000 1.276 359 P CA -0.057 63.058 63.100 0.025 0.000 0.782 359 P CB 0.588 32.074 31.700 -0.356 0.000 0.851 360 V N 2.698 122.660 119.914 0.080 0.000 2.628 360 V HA 0.775 1.019 4.120 -6.462 0.000 0.306 360 V C -0.772 175.398 176.094 0.127 0.000 1.045 360 V CA -1.177 61.183 62.300 0.099 0.000 0.905 360 V CB 2.023 33.910 31.823 0.107 0.000 0.997 360 V HN 0.273 nan 8.190 nan 0.000 0.436 361 L N 5.254 126.555 121.223 0.130 0.000 2.431 361 L HA 0.794 1.257 4.340 -6.462 0.000 0.266 361 L C -2.781 174.160 176.870 0.117 0.000 0.978 361 L CA -1.874 53.050 54.840 0.140 0.000 0.822 361 L CB 2.728 44.907 42.059 0.200 0.000 1.310 361 L HN 0.542 nan 8.230 nan 0.000 0.409 362 P HA 0.159 nan 4.420 nan 0.000 0.262 362 P C -0.995 176.430 177.300 0.207 0.000 1.199 362 P CA 0.181 63.361 63.100 0.133 0.000 0.763 362 P CB 0.136 31.878 31.700 0.070 0.000 0.790 363 T N -0.443 114.235 114.554 0.207 0.000 2.906 363 T HA 0.376 0.849 4.350 -6.462 0.000 0.295 363 T C -0.052 174.646 174.700 -0.003 0.000 1.075 363 T CA -0.905 61.291 62.100 0.159 0.000 1.005 363 T CB 0.714 69.608 68.868 0.044 0.000 1.136 363 T HN 0.024 nan 8.240 nan 0.000 0.498 364 V N 2.458 122.185 119.914 -0.312 0.000 2.814 364 V HA 0.170 0.413 4.120 -6.462 0.000 0.307 364 V C 1.075 177.039 176.094 -0.217 0.000 1.089 364 V CA 1.091 63.015 62.300 -0.626 0.000 1.212 364 V CB 0.255 31.599 31.823 -0.800 0.000 0.912 364 V HN 1.224 nan 8.190 nan 0.000 0.497 365 H N 3.105 121.998 119.070 -0.294 0.000 1.874 365 H HA 0.262 0.941 4.556 -6.463 0.000 0.163 365 H C -0.538 174.764 175.328 -0.044 0.000 0.956 365 H CA 0.032 56.020 56.048 -0.101 0.000 0.967 365 H CB 0.372 30.160 29.762 0.044 0.000 0.950 365 H HN 0.538 nan 8.280 nan 0.000 0.345 366 Y N 1.125 121.295 120.300 -0.217 0.000 2.499 366 Y HA 0.461 1.132 4.550 -6.464 0.000 0.347 366 Y C -1.331 174.419 175.900 -0.250 0.000 0.987 366 Y CA -1.079 56.868 58.100 -0.255 0.000 1.044 366 Y CB 1.669 40.062 38.460 -0.112 0.000 1.245 366 Y HN 0.191 nan 8.280 nan 0.000 0.461 367 N N 6.224 124.414 118.700 -0.850 0.000 2.621 367 N HA 0.187 1.050 4.740 -6.462 0.000 0.237 367 N C 0.642 175.914 175.510 -0.398 0.000 0.997 367 N CA -0.429 52.286 53.050 -0.559 0.000 0.918 367 N CB 0.883 38.960 38.487 -0.683 0.000 1.122 367 N HN 0.612 nan 8.380 nan 0.000 0.510 368 M N -0.489 119.163 119.600 0.087 0.000 2.394 368 M HA 0.118 0.721 4.480 -6.462 0.000 0.264 368 M C 1.034 177.447 176.300 0.187 0.000 1.073 368 M CA 0.476 55.947 55.300 0.286 0.000 1.111 368 M CB -0.908 31.882 32.600 0.316 0.000 1.401 368 M HN 0.295 nan 8.290 nan 0.000 0.448 369 G N 0.301 109.212 108.800 0.184 0.000 2.684 369 G HA2 0.478 0.561 3.960 -6.462 0.000 0.255 369 G HA3 0.478 0.561 3.960 -6.462 0.000 0.255 369 G C 0.198 175.171 174.900 0.122 0.000 1.219 369 G CA 0.234 45.445 45.100 0.184 0.000 0.901 369 G HN 0.654 nan 8.290 nan 0.000 0.548 370 G N -1.391 107.453 108.800 0.073 0.000 2.403 370 G HA2 0.226 0.309 3.960 -6.462 0.000 0.223 370 G HA3 0.226 0.309 3.960 -6.462 0.000 0.223 370 G C -1.017 173.852 174.900 -0.051 0.000 1.287 370 G CA -0.694 44.416 45.100 0.017 0.000 0.982 370 G HN 0.771 nan 8.290 nan 0.000 0.471 371 I N 3.733 124.260 120.570 -0.071 0.000 2.379 371 I HA 0.292 0.585 4.170 -6.462 0.000 0.290 371 I C -1.747 174.300 176.117 -0.116 0.000 1.063 371 I CA -1.623 59.617 61.300 -0.100 0.000 1.351 371 I CB 1.475 39.419 38.000 -0.093 0.000 1.410 371 I HN 0.155 nan 8.210 nan 0.000 0.505 372 P HA 0.063 nan 4.420 nan 0.000 0.266 372 P C -0.399 176.816 177.300 -0.141 0.000 1.195 372 P CA 0.075 63.087 63.100 -0.148 0.000 0.768 372 P CB 0.875 32.491 31.700 -0.141 0.000 0.838 373 T N 1.943 116.405 114.554 -0.154 0.000 2.932 373 T HA 0.212 0.685 4.350 -6.462 0.000 0.318 373 T C -0.081 174.541 174.700 -0.129 0.000 1.265 373 T CA -0.581 61.427 62.100 -0.153 0.000 1.036 373 T CB 1.193 69.955 68.868 -0.177 0.000 1.209 373 T HN 0.302 nan 8.240 nan 0.000 0.484 374 N N 0.164 118.790 118.700 -0.122 0.000 2.297 374 N HA 0.076 0.939 4.740 -6.462 0.000 0.232 374 N C 1.086 176.563 175.510 -0.055 0.000 1.311 374 N CA 0.110 53.103 53.050 -0.095 0.000 0.897 374 N CB 0.396 38.767 38.487 -0.192 0.000 1.137 374 N HN 0.786 nan 8.380 nan 0.000 0.449 375 Y N -0.339 119.939 120.300 -0.036 0.000 2.497 375 Y HA 0.055 0.728 4.550 -6.463 0.000 0.292 375 Y C 1.203 177.078 175.900 -0.041 0.000 1.137 375 Y CA 0.848 58.964 58.100 0.027 0.000 1.285 375 Y CB 0.026 38.476 38.460 -0.017 0.000 0.991 375 Y HN 0.328 nan 8.280 nan 0.000 0.556 376 K N 0.414 120.446 120.400 -0.615 0.000 2.393 376 K HA 0.229 0.672 4.320 -6.462 0.000 0.193 376 K C 1.148 177.701 176.600 -0.078 0.000 1.026 376 K CA 0.533 56.535 56.287 -0.475 0.000 1.064 376 K CB 0.108 32.279 32.500 -0.549 0.000 0.833 376 K HN 0.601 nan 8.250 nan 0.000 0.521 377 G N 2.248 111.025 108.800 -0.038 0.000 2.132 377 G HA2 -0.251 -0.168 3.960 -6.462 0.000 0.228 377 G HA3 -0.251 -0.168 3.960 -6.462 0.000 0.228 377 G C -0.407 174.501 174.900 0.014 0.000 1.000 377 G CA -0.183 44.951 45.100 0.057 0.000 0.693 377 G HN 0.336 nan 8.290 nan 0.000 0.515 378 Q N 0.082 119.761 119.800 -0.201 0.000 2.278 378 Q HA 0.561 1.024 4.340 -6.462 0.000 0.257 378 Q C 0.330 176.147 176.000 -0.305 0.000 0.928 378 Q CA -0.869 54.644 55.803 -0.484 0.000 0.932 378 Q CB 2.660 31.092 28.738 -0.510 0.000 1.221 378 Q HN 0.148 nan 8.270 nan 0.000 0.434 379 V N 4.497 124.231 119.914 -0.300 0.000 2.540 379 V HA -0.002 0.241 4.120 -6.462 0.000 0.297 379 V C 0.214 176.214 176.094 -0.157 0.000 1.024 379 V CA 0.318 62.505 62.300 -0.189 0.000 1.105 379 V CB -0.173 31.555 31.823 -0.157 0.000 0.938 379 V HN 0.572 nan 8.190 nan 0.000 0.482 380 L N 6.822 127.977 121.223 -0.114 0.000 2.295 380 L HA 0.616 1.079 4.340 -6.462 0.000 0.285 380 L C 0.532 177.383 176.870 -0.032 0.000 1.035 380 L CA -0.517 54.283 54.840 -0.066 0.000 0.806 380 L CB 1.153 43.190 42.059 -0.037 0.000 1.214 380 L HN 0.748 nan 8.230 nan 0.000 0.426 381 R N 0.360 120.859 120.500 -0.001 0.000 2.691 381 R HA 0.508 0.971 4.340 -6.462 0.000 0.259 381 R C -0.920 175.462 176.300 0.136 0.000 1.048 381 R CA -0.852 55.281 56.100 0.056 0.000 1.086 381 R CB 1.008 31.334 30.300 0.045 0.000 1.166 381 R HN 0.456 nan 8.270 nan 0.000 0.526 382 H N 0.289 119.399 119.070 0.067 0.000 2.685 382 H HA 0.406 1.088 4.556 -6.456 0.000 0.307 382 H C -1.444 173.913 175.328 0.048 0.000 1.017 382 H CA -0.432 55.656 56.048 0.065 0.000 1.237 382 H CB 1.304 31.130 29.762 0.106 0.000 1.409 382 H HN 0.350 nan 8.280 nan 0.000 0.488 383 V N 5.710 125.517 119.914 -0.178 0.000 2.448 383 V HA 0.162 0.405 4.120 -6.462 0.000 0.295 383 V C 0.621 176.586 176.094 -0.214 0.000 1.025 383 V CA -0.870 61.348 62.300 -0.137 0.000 0.859 383 V CB 1.380 33.151 31.823 -0.086 0.000 0.988 383 V HN 1.125 nan 8.190 nan 0.000 0.431 384 N N 3.866 122.482 118.700 -0.140 0.000 2.725 384 N HA -0.223 0.640 4.740 -6.462 0.000 0.251 384 N C 1.030 176.438 175.510 -0.170 0.000 1.031 384 N CA 0.624 53.602 53.050 -0.120 0.000 0.720 384 N CB -0.568 37.862 38.487 -0.095 0.000 0.930 384 N HN 1.497 nan 8.380 nan 0.000 0.543 385 G N -0.542 108.131 108.800 -0.212 0.000 2.187 385 G HA2 -0.332 -0.249 3.960 -6.462 0.000 0.261 385 G HA3 -0.332 -0.249 3.960 -6.462 0.000 0.261 385 G C -0.141 174.528 174.900 -0.384 0.000 1.000 385 G CA 1.167 46.155 45.100 -0.187 0.000 0.718 385 G HN 0.675 nan 8.290 nan 0.000 0.519 386 Q N -0.444 118.989 119.800 -0.611 0.000 2.413 386 Q HA 0.523 0.986 4.340 -6.462 0.000 0.276 386 Q C -1.101 174.666 176.000 -0.387 0.000 1.099 386 Q CA -1.142 54.442 55.803 -0.366 0.000 0.814 386 Q CB 1.464 30.089 28.738 -0.188 0.000 1.379 386 Q HN 0.177 nan 8.270 nan 0.000 0.436 387 D N 1.584 121.921 120.400 -0.104 0.000 2.339 387 D HA 0.181 0.945 4.640 -6.462 0.000 0.245 387 D C -0.761 175.515 176.300 -0.041 0.000 1.115 387 D CA 0.303 54.302 54.000 -0.001 0.000 0.917 387 D CB 0.789 41.625 40.800 0.060 0.000 1.192 387 D HN 0.282 nan 8.370 nan 0.000 0.428 388 Q N 0.472 120.256 119.800 -0.025 0.000 2.313 388 Q HA 0.354 0.817 4.340 -6.462 0.000 0.260 388 Q C -1.891 174.078 176.000 -0.052 0.000 0.972 388 Q CA -0.665 55.112 55.803 -0.043 0.000 0.886 388 Q CB 1.459 30.168 28.738 -0.049 0.000 1.373 388 Q HN 0.204 nan 8.270 nan 0.000 0.416 389 V N 3.606 123.477 119.914 -0.070 0.000 2.455 389 V HA 0.196 0.439 4.120 -6.462 0.000 0.273 389 V C 0.128 176.157 176.094 -0.108 0.000 1.045 389 V CA -0.505 61.730 62.300 -0.108 0.000 0.976 389 V CB 1.127 32.875 31.823 -0.125 0.000 0.993 389 V HN 0.594 nan 8.190 nan 0.000 0.475 390 V N 8.486 128.323 119.914 -0.128 0.000 2.439 390 V HA 0.156 0.400 4.120 -6.462 0.000 0.271 390 V C -1.993 174.015 176.094 -0.143 0.000 1.040 390 V CA -1.351 60.880 62.300 -0.115 0.000 1.002 390 V CB 0.673 32.431 31.823 -0.108 0.000 1.000 390 V HN 0.787 nan 8.190 nan 0.000 0.477 391 P HA 0.224 nan 4.420 nan 0.000 0.267 391 P C 0.910 178.168 177.300 -0.070 0.000 1.209 391 P CA 0.942 63.992 63.100 -0.083 0.000 0.763 391 P CB 0.646 32.319 31.700 -0.046 0.000 0.816 392 G N 1.892 110.657 108.800 -0.058 0.000 2.160 392 G HA2 -0.224 -0.141 3.960 -6.462 0.000 0.251 392 G HA3 -0.224 -0.141 3.960 -6.462 0.000 0.251 392 G C -0.429 174.478 174.900 0.012 0.000 1.008 392 G CA -0.174 44.937 45.100 0.019 0.000 0.724 392 G HN 0.566 nan 8.290 nan 0.000 0.514 393 L N 0.204 121.354 121.223 -0.120 0.000 2.376 393 L HA 0.854 1.317 4.340 -6.462 0.000 0.275 393 L C -0.940 175.766 176.870 -0.272 0.000 0.987 393 L CA -2.022 52.752 54.840 -0.110 0.000 0.828 393 L CB 1.160 43.151 42.059 -0.113 0.000 1.249 393 L HN 0.115 nan 8.230 nan 0.000 0.409 394 Y N 3.099 123.341 120.300 -0.097 0.000 2.536 394 Y HA 0.869 1.542 4.550 -6.461 0.000 0.347 394 Y C 0.022 175.864 175.900 -0.097 0.000 1.000 394 Y CA -0.553 57.486 58.100 -0.102 0.000 1.051 394 Y CB 2.417 40.809 38.460 -0.112 0.000 1.259 394 Y HN 0.722 nan 8.280 nan 0.000 0.468 395 A N 1.320 124.172 122.820 0.054 0.000 2.486 395 A HA 0.873 1.316 4.320 -6.462 0.000 0.300 395 A C -1.087 176.497 177.584 0.000 0.000 1.048 395 A CA -0.599 51.437 52.037 -0.002 0.000 0.696 395 A CB 0.539 19.508 19.000 -0.051 0.000 1.278 395 A HN 1.070 nan 8.150 nan 0.000 0.405 396 C N -0.344 118.958 119.300 0.004 0.000 3.318 396 C HA 1.026 1.609 4.460 -6.462 0.000 0.322 396 C C 0.809 175.823 174.990 0.041 0.000 1.398 396 C CA 0.018 59.054 59.018 0.031 0.000 1.339 396 C CB 0.925 28.724 27.740 0.099 0.000 1.668 396 C HN 3.000 nan 8.230 nan 0.000 0.462 397 G N 0.590 109.446 108.800 0.094 0.000 2.542 397 G HA2 -0.192 -0.109 3.960 -6.462 0.000 0.235 397 G HA3 -0.192 -0.109 3.960 -6.462 0.000 0.235 397 G C 0.413 175.370 174.900 0.095 0.000 1.286 397 G CA 0.766 45.936 45.100 0.116 0.000 0.904 397 G HN 1.260 nan 8.290 nan 0.000 0.577 398 E N -0.013 120.217 120.200 0.049 0.000 2.208 398 E HA 0.148 0.621 4.350 -6.462 0.000 0.193 398 E C 2.809 179.350 176.600 -0.099 0.000 0.988 398 E CA 1.422 57.776 56.400 -0.077 0.000 0.828 398 E CB -0.325 29.245 29.700 -0.217 0.000 0.763 398 E HN 0.875 nan 8.360 nan 0.000 0.478 399 A N 0.856 123.646 122.820 -0.051 0.000 2.067 399 A HA 0.158 0.601 4.320 -6.462 0.000 0.219 399 A C 1.266 178.830 177.584 -0.033 0.000 1.158 399 A CA 0.942 52.958 52.037 -0.036 0.000 0.661 399 A CB -0.238 18.738 19.000 -0.041 0.000 0.801 399 A HN 0.314 nan 8.150 nan 0.000 0.452 400 A N -1.798 121.002 122.820 -0.033 0.000 2.240 400 A HA 0.521 0.964 4.320 -6.462 0.000 0.292 400 A C 0.016 177.571 177.584 -0.048 0.000 1.121 400 A CA 0.172 52.174 52.037 -0.058 0.000 0.851 400 A CB 0.390 19.339 19.000 -0.085 0.000 1.167 400 A HN 0.966 nan 8.150 nan 0.000 0.503 401 C N -0.246 118.997 119.300 -0.094 0.000 3.296 401 C HA 0.582 1.165 4.460 -6.462 0.000 0.317 401 C C 1.056 175.937 174.990 -0.181 0.000 1.040 401 C CA -0.052 58.910 59.018 -0.093 0.000 1.352 401 C CB -0.470 27.231 27.740 -0.065 0.000 1.797 401 C HN 1.126 nan 8.230 nan 0.000 0.552 402 A N 2.246 124.909 122.820 -0.262 0.000 2.235 402 A HA 0.260 0.703 4.320 -6.462 0.000 0.208 402 A C 1.353 178.817 177.584 -0.200 0.000 1.172 402 A CA 1.146 53.004 52.037 -0.299 0.000 0.786 402 A CB -0.338 18.315 19.000 -0.578 0.000 0.804 402 A HN 1.687 nan 8.150 nan 0.000 0.479 403 S N -1.498 114.105 115.700 -0.161 0.000 3.405 403 S HA -0.139 0.454 4.470 -6.462 0.000 0.373 403 S C 0.813 175.367 174.600 -0.077 0.000 0.939 403 S CA 0.536 58.693 58.200 -0.072 0.000 1.295 403 S CB -1.319 61.869 63.200 -0.021 0.000 0.919 403 S HN 0.709 nan 8.310 nan 0.000 0.535 404 V N 1.502 121.296 119.914 -0.201 0.000 3.306 404 V HA -0.016 0.228 4.120 -6.462 0.000 0.264 404 V C 1.648 177.550 176.094 -0.321 0.000 1.149 404 V CA 1.334 63.495 62.300 -0.231 0.000 1.143 404 V CB -0.137 31.554 31.823 -0.221 0.000 0.767 404 V HN 0.807 nan 8.190 nan 0.000 0.476 405 H N -1.012 118.065 119.070 0.010 0.000 2.681 405 H HA 0.375 1.053 4.556 -6.464 0.000 0.268 405 H C 1.618 176.915 175.328 -0.051 0.000 0.967 405 H CA 0.745 56.784 56.048 -0.015 0.000 1.233 405 H CB 0.467 30.247 29.762 0.031 0.000 1.445 405 H HN 0.434 nan 8.280 nan 0.000 0.494 406 G N 1.285 110.112 108.800 0.046 0.000 2.561 406 G HA2 -0.394 -0.311 3.960 -6.462 0.000 0.289 406 G HA3 -0.394 -0.311 3.960 -6.462 0.000 0.289 406 G C 1.280 176.038 174.900 -0.237 0.000 1.169 406 G CA 1.424 46.480 45.100 -0.073 0.000 0.980 406 G HN 0.595 nan 8.290 nan 0.000 0.550 407 A N 0.230 122.885 122.820 -0.275 0.000 2.178 407 A HA 0.441 0.884 4.320 -6.462 0.000 0.211 407 A C 0.990 178.611 177.584 0.061 0.000 1.157 407 A CA 1.681 53.525 52.037 -0.321 0.000 0.780 407 A CB -0.151 18.781 19.000 -0.113 0.000 0.828 407 A HN 1.286 nan 8.150 nan 0.000 0.476 408 N N -0.207 118.516 118.700 0.038 0.000 2.578 408 N HA 0.111 0.974 4.740 -6.462 0.000 0.282 408 N C -1.114 174.411 175.510 0.024 0.000 1.119 408 N CA -0.475 52.614 53.050 0.066 0.000 0.948 408 N CB 1.141 39.666 38.487 0.064 0.000 1.546 408 N HN 0.300 nan 8.380 nan 0.000 0.525 409 R N 3.107 123.603 120.500 -0.007 0.000 2.590 409 R HA 0.172 0.635 4.340 -6.462 0.000 0.274 409 R C -0.466 175.785 176.300 -0.081 0.000 1.061 409 R CA -0.203 55.829 56.100 -0.113 0.000 1.081 409 R CB 0.575 30.548 30.300 -0.544 0.000 0.984 409 R HN 0.430 nan 8.270 nan 0.000 0.448 410 L N 2.893 124.107 121.223 -0.015 0.000 2.395 410 L HA 0.304 0.767 4.340 -6.462 0.000 0.269 410 L C 0.477 177.363 176.870 0.027 0.000 1.133 410 L CA 0.542 55.389 54.840 0.012 0.000 0.812 410 L CB 1.388 43.487 42.059 0.066 0.000 1.125 410 L HN 0.813 nan 8.230 nan 0.000 0.452 411 G N 3.074 111.944 108.800 0.116 0.000 2.313 411 G HA2 0.419 0.502 3.960 -6.462 0.000 0.250 411 G HA3 0.419 0.502 3.960 -6.462 0.000 0.250 411 G C 0.566 175.536 174.900 0.116 0.000 1.281 411 G CA 0.312 45.599 45.100 0.310 0.000 0.917 411 G HN 1.507 nan 8.290 nan 0.000 0.501 412 A N 2.170 124.971 122.820 -0.032 0.000 3.031 412 A HA -0.167 0.276 4.320 -6.462 0.000 0.244 412 A C 1.440 178.983 177.584 -0.068 0.000 1.341 412 A CA 1.052 52.947 52.037 -0.237 0.000 0.943 412 A CB -1.793 16.752 19.000 -0.757 0.000 1.122 412 A HN 0.643 nan 8.150 nan 0.000 0.760 413 N N -0.922 117.789 118.700 0.019 0.000 2.220 413 N HA 0.182 1.045 4.740 -6.462 0.000 0.195 413 N C 1.529 177.154 175.510 0.193 0.000 1.123 413 N CA 1.058 54.189 53.050 0.134 0.000 0.874 413 N CB 0.351 38.964 38.487 0.210 0.000 0.995 413 N HN 0.524 nan 8.380 nan 0.000 0.498 414 S N 0.025 115.770 115.700 0.074 0.000 2.406 414 S HA 0.198 0.791 4.470 -6.462 0.000 0.224 414 S C 1.735 176.446 174.600 0.186 0.000 1.030 414 S CA 0.322 58.609 58.200 0.146 0.000 0.958 414 S CB -0.002 63.243 63.200 0.076 0.000 0.811 414 S HN 0.200 nan 8.310 nan 0.000 0.489 415 L N 1.018 122.320 121.223 0.132 0.000 2.079 415 L HA -0.113 0.350 4.340 -6.462 0.000 0.210 415 L C 2.411 179.361 176.870 0.134 0.000 1.081 415 L CA 0.917 55.833 54.840 0.127 0.000 0.752 415 L CB -0.574 41.544 42.059 0.097 0.000 0.896 415 L HN 0.357 nan 8.230 nan 0.000 0.433 416 L N 0.290 121.593 121.223 0.133 0.000 2.005 416 L HA -0.241 0.222 4.340 -6.462 0.000 0.207 416 L C 2.248 179.210 176.870 0.153 0.000 1.072 416 L CA 1.976 56.891 54.840 0.124 0.000 0.744 416 L CB -0.724 41.414 42.059 0.132 0.000 0.895 416 L HN 0.210 nan 8.230 nan 0.000 0.433 417 D N -0.418 120.130 120.400 0.247 0.000 2.204 417 D HA -0.263 0.500 4.640 -6.462 0.000 0.189 417 D C 2.153 178.656 176.300 0.338 0.000 1.006 417 D CA 2.076 56.305 54.000 0.382 0.000 0.855 417 D CB -0.258 40.827 40.800 0.474 0.000 0.946 417 D HN 0.216 nan 8.370 nan 0.000 0.448 418 L N 0.319 121.689 121.223 0.246 0.000 1.963 418 L HA -0.212 0.251 4.340 -6.462 0.000 0.220 418 L C 2.872 179.825 176.870 0.138 0.000 1.076 418 L CA 1.254 56.204 54.840 0.183 0.000 0.772 418 L CB -1.377 40.771 42.059 0.149 0.000 0.892 418 L HN 0.064 nan 8.230 nan 0.000 0.435 419 V N -1.331 118.647 119.914 0.108 0.000 2.295 419 V HA -0.259 -0.016 4.120 -6.462 0.000 0.246 419 V C 2.440 178.537 176.094 0.006 0.000 1.049 419 V CA 1.467 63.806 62.300 0.064 0.000 1.024 419 V CB -0.434 31.432 31.823 0.072 0.000 0.648 419 V HN 0.259 nan 8.190 nan 0.000 0.447 420 V N -0.773 119.118 119.914 -0.039 0.000 2.244 420 V HA -0.228 0.015 4.120 -6.462 0.000 0.244 420 V C 2.137 178.135 176.094 -0.159 0.000 1.042 420 V CA 2.304 64.486 62.300 -0.196 0.000 1.006 420 V CB -0.711 30.870 31.823 -0.403 0.000 0.641 420 V HN 0.462 nan 8.190 nan 0.000 0.446 421 F N 0.861 120.869 119.950 0.096 0.000 2.367 421 F HA 0.115 0.766 4.527 -6.459 0.000 0.298 421 F C 2.350 178.161 175.800 0.019 0.000 1.094 421 F CA 0.948 59.002 58.000 0.089 0.000 1.409 421 F CB -0.866 38.184 39.000 0.084 0.000 1.064 421 F HN 0.198 nan 8.300 nan 0.000 0.528 422 G N 0.478 109.362 108.800 0.140 0.000 2.480 422 G HA2 -0.319 -0.236 3.960 -6.462 0.000 0.216 422 G HA3 -0.319 -0.236 3.960 -6.462 0.000 0.216 422 G C 1.723 176.582 174.900 -0.068 0.000 1.200 422 G CA 0.969 46.074 45.100 0.009 0.000 0.782 422 G HN 0.263 nan 8.290 nan 0.000 0.554 423 R N 0.763 121.221 120.500 -0.070 0.000 2.103 423 R HA -0.049 0.414 4.340 -6.462 0.000 0.242 423 R C 2.787 179.051 176.300 -0.060 0.000 1.142 423 R CA 1.773 57.817 56.100 -0.092 0.000 0.960 423 R CB -0.525 29.735 30.300 -0.067 0.000 0.858 423 R HN 0.286 nan 8.270 nan 0.000 0.439 424 A N 0.660 123.489 122.820 0.015 0.000 1.908 424 A HA -0.196 0.247 4.320 -6.462 0.000 0.218 424 A C 2.549 180.099 177.584 -0.056 0.000 1.181 424 A CA 1.638 53.699 52.037 0.040 0.000 0.627 424 A CB -1.068 18.013 19.000 0.135 0.000 0.818 424 A HN 0.625 nan 8.150 nan 0.000 0.445 425 C N -1.106 118.154 119.300 -0.066 0.000 2.413 425 C HA -0.035 0.548 4.460 -6.462 0.000 0.276 425 C C 3.332 178.059 174.990 -0.438 0.000 1.248 425 C CA 0.938 59.808 59.018 -0.246 0.000 1.742 425 C CB -1.404 26.223 27.740 -0.188 0.000 2.017 425 C HN 0.707 nan 8.230 nan 0.000 0.481 426 A N 0.148 122.779 122.820 -0.315 0.000 1.877 426 A HA -0.118 0.325 4.320 -6.462 0.000 0.216 426 A C 2.086 179.501 177.584 -0.283 0.000 1.186 426 A CA 1.561 53.396 52.037 -0.335 0.000 0.620 426 A CB -0.627 18.213 19.000 -0.266 0.000 0.822 426 A HN 0.616 nan 8.150 nan 0.000 0.443 427 L N -0.781 120.335 121.223 -0.179 0.000 2.141 427 L HA -0.116 0.347 4.340 -6.462 0.000 0.209 427 L C 2.783 179.577 176.870 -0.126 0.000 1.094 427 L CA 1.229 56.002 54.840 -0.110 0.000 0.763 427 L CB -0.359 41.673 42.059 -0.044 0.000 0.908 427 L HN 0.317 nan 8.230 nan 0.000 0.437 428 S N -0.096 115.500 115.700 -0.175 0.000 2.383 428 S HA -0.057 0.536 4.470 -6.462 0.000 0.227 428 S C 1.910 176.420 174.600 -0.150 0.000 1.026 428 S CA 1.034 59.161 58.200 -0.123 0.000 0.981 428 S CB -0.095 63.102 63.200 -0.005 0.000 0.818 428 S HN 0.265 nan 8.310 nan 0.000 0.472 429 I N 1.272 121.618 120.570 -0.373 0.000 2.206 429 I HA -0.097 0.196 4.170 -6.462 0.000 0.239 429 I C 2.691 178.670 176.117 -0.229 0.000 1.078 429 I CA 0.994 62.062 61.300 -0.386 0.000 1.367 429 I CB -0.572 37.011 38.000 -0.696 0.000 1.078 429 I HN 0.223 nan 8.210 nan 0.000 0.413 430 A N 0.374 123.051 122.820 -0.238 0.000 1.986 430 A HA -0.238 0.205 4.320 -6.462 0.000 0.220 430 A C 2.052 179.701 177.584 0.108 0.000 1.171 430 A CA 1.921 54.010 52.037 0.088 0.000 0.640 430 A CB -0.589 18.465 19.000 0.091 0.000 0.811 430 A HN 0.533 nan 8.150 nan 0.000 0.451 431 E N -0.876 119.337 120.200 0.022 0.000 2.481 431 E HA 0.020 0.493 4.350 -6.462 0.000 0.198 431 E C 1.774 178.392 176.600 0.030 0.000 1.027 431 E CA 0.528 56.945 56.400 0.029 0.000 0.900 431 E CB 0.240 29.945 29.700 0.008 0.000 0.993 431 E HN 0.780 nan 8.360 nan 0.000 0.482 432 S N -0.483 115.239 115.700 0.036 0.000 2.620 432 S HA 0.032 0.626 4.470 -6.462 0.000 0.234 432 S C 1.256 175.895 174.600 0.066 0.000 1.064 432 S CA 0.104 58.330 58.200 0.043 0.000 0.920 432 S CB -0.118 63.109 63.200 0.046 0.000 0.826 432 S HN 0.343 nan 8.310 nan 0.000 0.557 433 C N 1.277 120.637 119.300 0.100 0.000 2.711 433 C HA 0.902 1.485 4.460 -6.462 0.000 0.410 433 C C -0.260 174.859 174.990 0.215 0.000 1.553 433 C CA -1.077 58.023 59.018 0.136 0.000 1.759 433 C CB 0.910 28.733 27.740 0.138 0.000 2.077 433 C HN 0.482 nan 8.230 nan 0.000 0.483 434 R N 0.460 121.062 120.500 0.170 0.000 2.807 434 R HA 0.618 1.081 4.340 -6.462 0.000 0.276 434 R C -3.016 173.223 176.300 -0.102 0.000 0.979 434 R CA -1.857 54.267 56.100 0.039 0.000 0.928 434 R CB 1.493 31.781 30.300 -0.020 0.000 1.191 434 R HN 0.533 nan 8.270 nan 0.000 0.471 435 P HA 0.149 nan 4.420 nan 0.000 0.276 435 P C 0.351 177.516 177.300 -0.226 0.000 1.230 435 P CA 0.287 63.023 63.100 -0.606 0.000 0.776 435 P CB 0.606 31.768 31.700 -0.897 0.000 0.888 436 G N 1.269 110.007 108.800 -0.104 0.000 2.160 436 G HA2 -0.189 -0.106 3.960 -6.462 0.000 0.244 436 G HA3 -0.189 -0.106 3.960 -6.462 0.000 0.244 436 G C -0.160 174.726 174.900 -0.025 0.000 1.022 436 G CA -0.291 44.777 45.100 -0.053 0.000 0.741 436 G HN 0.464 nan 8.290 nan 0.000 0.508 437 D N -0.208 120.194 120.400 0.003 0.000 2.387 437 D HA 0.365 1.128 4.640 -6.462 0.000 0.251 437 D C 0.814 177.131 176.300 0.029 0.000 1.141 437 D CA -0.450 53.563 54.000 0.022 0.000 0.987 437 D CB 0.560 41.388 40.800 0.047 0.000 1.116 437 D HN 0.230 nan 8.370 nan 0.000 0.491 438 K N 0.988 121.403 120.400 0.024 0.000 2.405 438 K HA 0.036 0.479 4.320 -6.462 0.000 0.276 438 K C -0.947 175.673 176.600 0.033 0.000 1.099 438 K CA -0.092 56.208 56.287 0.022 0.000 1.120 438 K CB -0.054 32.456 32.500 0.017 0.000 0.877 438 K HN 0.118 nan 8.250 nan 0.000 0.472 439 V N 8.188 128.122 119.914 0.034 0.000 2.427 439 V HA 0.124 0.367 4.120 -6.462 0.000 0.268 439 V C -1.901 174.212 176.094 0.032 0.000 1.046 439 V CA -1.568 60.757 62.300 0.042 0.000 0.970 439 V CB 0.667 32.518 31.823 0.046 0.000 1.001 439 V HN 0.802 nan 8.190 nan 0.000 0.476 440 P HA 0.203 nan 4.420 nan 0.000 0.276 440 P C -0.258 177.054 177.300 0.021 0.000 1.235 440 P CA -0.232 62.882 63.100 0.022 0.000 0.772 440 P CB 0.510 32.222 31.700 0.020 0.000 0.871 441 S N 3.088 118.798 115.700 0.016 0.000 2.531 441 S HA 0.345 0.938 4.470 -6.462 0.000 0.279 441 S C 0.168 174.777 174.600 0.014 0.000 1.305 441 S CA -0.602 57.607 58.200 0.015 0.000 1.058 441 S CB 0.153 63.360 63.200 0.011 0.000 0.899 441 S HN 0.390 nan 8.310 nan 0.000 0.493 442 I N 1.703 122.282 120.570 0.016 0.000 2.498 442 I HA 0.355 0.648 4.170 -6.462 0.000 0.301 442 I C 0.134 176.258 176.117 0.012 0.000 0.984 442 I CA -1.089 60.220 61.300 0.015 0.000 1.204 442 I CB 1.236 39.248 38.000 0.019 0.000 1.362 442 I HN 0.659 nan 8.210 nan 0.000 0.471 443 K N 7.298 127.703 120.400 0.009 0.000 2.485 443 K HA 0.058 0.501 4.320 -6.462 0.000 0.277 443 K C -1.715 174.891 176.600 0.009 0.000 0.990 443 K CA -0.793 55.498 56.287 0.007 0.000 0.994 443 K CB 0.134 32.637 32.500 0.005 0.000 0.906 443 K HN 0.418 nan 8.250 nan 0.000 0.488 444 P HA -0.167 nan 4.420 nan 0.000 0.221 444 P C -0.075 177.232 177.300 0.010 0.000 1.145 444 P CA 1.338 64.443 63.100 0.009 0.000 0.795 444 P CB 0.078 31.783 31.700 0.007 0.000 0.775 445 N N -1.940 116.766 118.700 0.009 0.000 2.497 445 N HA 0.343 1.207 4.740 -6.462 0.000 0.284 445 N C -0.334 175.180 175.510 0.006 0.000 1.459 445 N CA -0.407 52.647 53.050 0.008 0.000 0.899 445 N CB 0.860 39.351 38.487 0.007 0.000 1.316 445 N HN -0.105 nan 8.380 nan 0.000 0.500 446 A N 0.276 123.101 122.820 0.008 0.000 2.388 446 A HA 0.593 1.036 4.320 -6.462 0.000 0.257 446 A C 1.415 179.002 177.584 0.006 0.000 1.095 446 A CA 0.450 52.491 52.037 0.006 0.000 0.791 446 A CB -0.039 18.966 19.000 0.009 0.000 1.029 446 A HN 0.595 nan 8.150 nan 0.000 0.489 447 G N 1.346 110.146 108.800 0.001 0.000 2.147 447 G HA2 -0.262 -0.179 3.960 -6.462 0.000 0.244 447 G HA3 -0.262 -0.179 3.960 -6.462 0.000 0.244 447 G C 0.608 175.499 174.900 -0.014 0.000 1.005 447 G CA 0.836 45.934 45.100 -0.003 0.000 0.713 447 G HN 0.943 nan 8.290 nan 0.000 0.515 448 E N -0.194 119.998 120.200 -0.013 0.000 2.051 448 E HA -0.101 0.373 4.350 -6.462 0.000 0.192 448 E C 2.149 178.730 176.600 -0.031 0.000 0.991 448 E CA 1.412 57.800 56.400 -0.020 0.000 0.799 448 E CB -0.074 29.621 29.700 -0.009 0.000 0.748 448 E HN 0.727 nan 8.360 nan 0.000 0.449 449 E N -0.266 119.920 120.200 -0.023 0.000 2.268 449 E HA -0.112 0.361 4.350 -6.462 0.000 0.195 449 E C 2.016 178.594 176.600 -0.035 0.000 0.995 449 E CA 0.831 57.216 56.400 -0.025 0.000 0.836 449 E CB 0.160 29.852 29.700 -0.014 0.000 0.763 449 E HN 0.138 nan 8.360 nan 0.000 0.491 450 S N 0.226 115.903 115.700 -0.038 0.000 2.355 450 S HA -0.118 0.475 4.470 -6.462 0.000 0.222 450 S C 2.197 176.740 174.600 -0.095 0.000 1.031 450 S CA 0.891 59.063 58.200 -0.046 0.000 0.993 450 S CB -0.121 63.064 63.200 -0.025 0.000 0.859 450 S HN 0.080 nan 8.310 nan 0.000 0.453 451 V N 2.272 122.109 119.914 -0.129 0.000 2.407 451 V HA -0.186 0.057 4.120 -6.462 0.000 0.248 451 V C 2.255 178.216 176.094 -0.223 0.000 1.055 451 V CA 1.674 63.821 62.300 -0.254 0.000 1.049 451 V CB -0.761 30.901 31.823 -0.269 0.000 0.662 451 V HN 0.443 nan 8.190 nan 0.000 0.455 452 M N 0.299 119.833 119.600 -0.110 0.000 2.117 452 M HA -0.176 0.427 4.480 -6.462 0.000 0.262 452 M C 2.310 178.584 176.300 -0.043 0.000 1.065 452 M CA 2.078 57.347 55.300 -0.052 0.000 1.114 452 M CB -0.741 31.843 32.600 -0.027 0.000 1.361 452 M HN 0.521 nan 8.290 nan 0.000 0.408 453 N N 1.017 119.684 118.700 -0.055 0.000 2.084 453 N HA -0.187 0.676 4.740 -6.462 0.000 0.190 453 N C 1.858 177.327 175.510 -0.068 0.000 1.030 453 N CA 1.086 54.105 53.050 -0.051 0.000 0.849 453 N CB -0.054 38.405 38.487 -0.047 0.000 1.012 453 N HN 0.292 nan 8.380 nan 0.000 0.423 454 L N 1.609 122.768 121.223 -0.107 0.000 2.042 454 L HA -0.199 0.264 4.340 -6.462 0.000 0.210 454 L C 1.881 178.704 176.870 -0.079 0.000 1.076 454 L CA 2.064 56.823 54.840 -0.135 0.000 0.749 454 L CB -1.296 40.635 42.059 -0.214 0.000 0.893 454 L HN 0.232 nan 8.230 nan 0.000 0.432 455 D N -0.465 119.912 120.400 -0.037 0.000 2.117 455 D HA -0.214 0.549 4.640 -6.462 0.000 0.198 455 D C 2.281 178.705 176.300 0.207 0.000 0.982 455 D CA 1.123 55.222 54.000 0.165 0.000 0.828 455 D CB 0.071 41.001 40.800 0.215 0.000 0.967 455 D HN 0.113 nan 8.370 nan 0.000 0.464 456 K N -0.244 120.214 120.400 0.097 0.000 2.057 456 K HA -0.127 0.316 4.320 -6.462 0.000 0.207 456 K C 1.954 178.585 176.600 0.052 0.000 1.049 456 K CA 0.713 57.049 56.287 0.082 0.000 0.931 456 K CB -0.160 32.352 32.500 0.020 0.000 0.714 456 K HN 0.152 nan 8.250 nan 0.000 0.440 457 L N 1.310 122.529 121.223 -0.007 0.000 2.141 457 L HA -0.082 0.381 4.340 -6.462 0.000 0.209 457 L C 2.505 179.330 176.870 -0.075 0.000 1.094 457 L CA 1.323 56.136 54.840 -0.045 0.000 0.763 457 L CB -0.636 41.377 42.059 -0.077 0.000 0.908 457 L HN 0.150 nan 8.230 nan 0.000 0.437 458 R N -0.858 119.572 120.500 -0.117 0.000 2.115 458 R HA -0.069 0.394 4.340 -6.462 0.000 0.226 458 R C 1.143 177.174 176.300 -0.449 0.000 1.100 458 R CA 1.233 57.150 56.100 -0.306 0.000 0.980 458 R CB -0.085 29.981 30.300 -0.391 0.000 0.875 458 R HN 0.332 nan 8.270 nan 0.000 0.445 459 F N 0.187 120.134 119.950 -0.006 0.000 2.668 459 F HA 0.387 1.037 4.527 -6.462 0.000 0.301 459 F C 0.554 176.327 175.800 -0.045 0.000 1.106 459 F CA -0.477 57.510 58.000 -0.023 0.000 1.289 459 F CB 0.461 39.454 39.000 -0.012 0.000 1.006 459 F HN -0.110 nan 8.300 nan 0.000 0.535 460 A N 1.337 124.192 122.820 0.059 0.000 2.500 460 A HA 0.031 0.474 4.320 -6.462 0.000 0.285 460 A C 0.111 177.682 177.584 -0.021 0.000 1.183 460 A CA 0.105 52.152 52.037 0.016 0.000 0.851 460 A CB -0.742 18.253 19.000 -0.009 0.000 1.091 460 A HN 0.519 nan 8.150 nan 0.000 0.521 461 N N 2.491 121.181 118.700 -0.017 0.000 2.817 461 N HA 0.500 1.363 4.740 -6.462 0.000 0.234 461 N C 0.470 175.964 175.510 -0.026 0.000 1.066 461 N CA 0.212 53.230 53.050 -0.053 0.000 0.926 461 N CB 0.493 38.951 38.487 -0.047 0.000 1.176 461 N HN 0.711 nan 8.380 nan 0.000 0.506 462 G N -0.621 108.171 108.800 -0.014 0.000 3.262 462 G HA2 0.139 0.222 3.960 -6.462 0.000 0.229 462 G HA3 0.139 0.222 3.960 -6.462 0.000 0.229 462 G C 0.364 175.292 174.900 0.047 0.000 1.280 462 G CA -0.214 44.911 45.100 0.041 0.000 0.951 462 G HN 0.282 nan 8.290 nan 0.000 0.589 463 T N -1.124 113.479 114.554 0.081 0.000 3.034 463 T HA 0.270 0.743 4.350 -6.462 0.000 0.248 463 T C 0.701 175.431 174.700 0.050 0.000 1.040 463 T CA 0.104 62.233 62.100 0.049 0.000 1.107 463 T CB -0.306 68.569 68.868 0.012 0.000 0.932 463 T HN 0.231 nan 8.240 nan 0.000 0.474 464 I N 2.728 123.334 120.570 0.059 0.000 2.321 464 I HA 0.438 0.731 4.170 -6.462 0.000 0.291 464 I C 0.340 176.502 176.117 0.075 0.000 0.998 464 I CA -0.902 60.431 61.300 0.055 0.000 1.227 464 I CB 1.328 39.351 38.000 0.038 0.000 1.368 464 I HN 0.025 nan 8.210 nan 0.000 0.466 465 R N 3.616 124.171 120.500 0.092 0.000 2.594 465 R HA 0.131 0.594 4.340 -6.462 0.000 0.272 465 R C 0.888 177.237 176.300 0.081 0.000 1.074 465 R CA 0.007 56.179 56.100 0.120 0.000 1.105 465 R CB 0.913 31.291 30.300 0.130 0.000 1.008 465 R HN 0.734 nan 8.270 nan 0.000 0.472 466 T N 1.164 115.768 114.554 0.083 0.000 2.665 466 T HA -0.237 0.236 4.350 -6.462 0.000 0.268 466 T C 1.836 176.568 174.700 0.055 0.000 1.035 466 T CA 2.161 64.295 62.100 0.056 0.000 1.151 466 T CB -0.255 68.644 68.868 0.052 0.000 0.862 466 T HN 0.815 nan 8.240 nan 0.000 0.438 467 S N 1.780 117.515 115.700 0.058 0.000 2.368 467 S HA -0.151 0.442 4.470 -6.462 0.000 0.225 467 S C 1.915 176.549 174.600 0.056 0.000 1.030 467 S CA 1.176 59.412 58.200 0.059 0.000 0.999 467 S CB -0.487 62.743 63.200 0.049 0.000 0.844 467 S HN 0.596 nan 8.310 nan 0.000 0.459 468 E N 0.741 120.969 120.200 0.048 0.000 2.077 468 E HA -0.061 0.412 4.350 -6.462 0.000 0.193 468 E C 2.059 178.678 176.600 0.032 0.000 0.989 468 E CA 1.132 57.554 56.400 0.037 0.000 0.800 468 E CB -0.293 29.428 29.700 0.035 0.000 0.746 468 E HN 0.388 nan 8.360 nan 0.000 0.452 469 L N 1.329 122.572 121.223 0.035 0.000 2.093 469 L HA -0.131 0.332 4.340 -6.462 0.000 0.208 469 L C 2.365 179.256 176.870 0.034 0.000 1.085 469 L CA 1.536 56.393 54.840 0.028 0.000 0.755 469 L CB -0.297 41.776 42.059 0.024 0.000 0.904 469 L HN -0.051 nan 8.230 nan 0.000 0.435 470 R N -0.784 119.744 120.500 0.047 0.000 2.096 470 R HA -0.225 0.238 4.340 -6.462 0.000 0.240 470 R C 2.327 178.670 176.300 0.071 0.000 1.139 470 R CA 2.132 58.270 56.100 0.063 0.000 0.952 470 R CB -0.554 29.794 30.300 0.080 0.000 0.854 470 R HN 0.404 nan 8.270 nan 0.000 0.436 471 L N 0.552 121.813 121.223 0.065 0.000 2.017 471 L HA -0.149 0.314 4.340 -6.462 0.000 0.208 471 L C 2.188 179.059 176.870 0.002 0.000 1.073 471 L CA 1.888 56.756 54.840 0.047 0.000 0.745 471 L CB -0.370 41.703 42.059 0.024 0.000 0.894 471 L HN 0.073 nan 8.230 nan 0.000 0.432 472 S N -0.747 114.955 115.700 0.003 0.000 2.400 472 S HA -0.231 0.362 4.470 -6.462 0.000 0.232 472 S C 1.885 176.487 174.600 0.004 0.000 1.025 472 S CA 1.816 60.013 58.200 -0.006 0.000 0.993 472 S CB -0.369 62.831 63.200 0.001 0.000 0.808 472 S HN 0.544 nan 8.310 nan 0.000 0.478 473 M N 1.043 120.654 119.600 0.018 0.000 2.123 473 M HA -0.113 0.490 4.480 -6.462 0.000 0.263 473 M C 2.122 178.428 176.300 0.010 0.000 1.069 473 M CA 1.397 56.706 55.300 0.015 0.000 1.133 473 M CB -0.250 32.366 32.600 0.027 0.000 1.356 473 M HN 0.261 nan 8.290 nan 0.000 0.415 474 Q N 0.102 119.932 119.800 0.050 0.000 2.084 474 Q HA -0.165 0.298 4.340 -6.462 0.000 0.202 474 Q C 1.990 178.071 176.000 0.134 0.000 0.978 474 Q CA 1.259 57.130 55.803 0.113 0.000 0.844 474 Q CB -0.053 28.828 28.738 0.237 0.000 0.898 474 Q HN 0.386 nan 8.270 nan 0.000 0.426 475 K N 0.101 120.523 120.400 0.037 0.000 2.155 475 K HA 0.006 0.449 4.320 -6.462 0.000 0.203 475 K C 2.155 178.801 176.600 0.076 0.000 1.052 475 K CA 0.678 56.955 56.287 -0.017 0.000 0.948 475 K CB -0.076 32.314 32.500 -0.183 0.000 0.728 475 K HN 0.032 nan 8.250 nan 0.000 0.448 476 S N 0.990 116.732 115.700 0.071 0.000 2.345 476 S HA -0.048 0.545 4.470 -6.462 0.000 0.220 476 S C 1.925 176.624 174.600 0.165 0.000 1.031 476 S CA 0.995 59.275 58.200 0.132 0.000 0.996 476 S CB -0.051 63.156 63.200 0.012 0.000 0.882 476 S HN 0.182 nan 8.310 nan 0.000 0.445 477 M N 1.123 120.730 119.600 0.012 0.000 2.202 477 M HA -0.105 0.498 4.480 -6.462 0.000 0.262 477 M C 2.188 178.565 176.300 0.127 0.000 1.063 477 M CA 1.355 56.586 55.300 -0.115 0.000 1.097 477 M CB -1.349 30.875 32.600 -0.626 0.000 1.382 477 M HN 0.253 nan 8.290 nan 0.000 0.413 478 Q N 0.503 120.448 119.800 0.243 0.000 2.119 478 Q HA -0.074 0.389 4.340 -6.462 0.000 0.201 478 Q C 1.964 178.139 176.000 0.292 0.000 0.972 478 Q CA 2.183 58.238 55.803 0.421 0.000 0.847 478 Q CB -0.090 28.883 28.738 0.392 0.000 0.903 478 Q HN 0.609 nan 8.270 nan 0.000 0.433 479 S N -2.438 113.376 115.700 0.190 0.000 2.511 479 S HA 0.091 0.684 4.470 -6.462 0.000 0.214 479 S C 1.033 175.576 174.600 -0.095 0.000 0.997 479 S CA 0.211 58.433 58.200 0.037 0.000 0.908 479 S CB -0.110 63.062 63.200 -0.046 0.000 0.803 479 S HN 0.443 nan 8.310 nan 0.000 0.504 480 H N 1.291 120.420 119.070 0.098 0.000 2.604 480 H HA 0.604 1.282 4.556 -6.465 0.000 0.273 480 H C 0.821 176.211 175.328 0.102 0.000 0.971 480 H CA 0.632 56.724 56.048 0.074 0.000 1.249 480 H CB 0.586 30.372 29.762 0.041 0.000 1.449 480 H HN 0.498 nan 8.280 nan 0.000 0.512 481 A N 0.590 123.576 122.820 0.277 0.000 3.258 481 A HA 0.743 1.186 4.320 -6.462 0.000 0.318 481 A C 0.150 177.990 177.584 0.427 0.000 0.990 481 A CA -0.008 52.209 52.037 0.300 0.000 0.885 481 A CB -0.389 18.792 19.000 0.302 0.000 1.090 481 A HN 0.345 nan 8.150 nan 0.000 0.479 482 A N 0.061 123.025 122.820 0.240 0.000 3.322 482 A HA 0.700 1.143 4.320 -6.462 0.000 0.201 482 A C 1.406 178.782 177.584 -0.347 0.000 1.668 482 A CA 0.442 52.532 52.037 0.089 0.000 0.861 482 A CB -0.524 18.479 19.000 0.005 0.000 1.769 482 A HN 0.690 nan 8.150 nan 0.000 0.578 483 V N -1.033 118.365 119.914 -0.859 0.000 2.255 483 V HA -0.121 0.122 4.120 -6.462 0.000 0.247 483 V C 0.580 176.271 176.094 -0.672 0.000 1.051 483 V CA 1.513 63.240 62.300 -0.955 0.000 1.018 483 V CB -0.905 30.379 31.823 -0.898 0.000 0.641 483 V HN 0.472 nan 8.190 nan 0.000 0.445 484 F N 0.558 120.366 119.950 -0.238 0.000 2.458 484 F HA 0.680 1.327 4.527 -6.466 0.000 0.330 484 F C 0.482 176.207 175.800 -0.125 0.000 1.082 484 F CA -0.876 57.027 58.000 -0.162 0.000 0.995 484 F CB 1.121 40.042 39.000 -0.132 0.000 1.170 484 F HN 0.074 nan 8.300 nan 0.000 0.478 485 R N 1.153 121.692 120.500 0.065 0.000 2.604 485 R HA 0.780 1.244 4.340 -6.462 0.000 0.270 485 R C -1.915 174.391 176.300 0.010 0.000 1.052 485 R CA -1.048 55.067 56.100 0.024 0.000 0.902 485 R CB 1.448 31.756 30.300 0.013 0.000 1.233 485 R HN 0.524 nan 8.270 nan 0.000 0.455 486 V N -1.044 118.880 119.914 0.016 0.000 2.864 486 V HA 0.662 0.905 4.120 -6.462 0.000 0.314 486 V C 1.208 177.320 176.094 0.030 0.000 1.073 486 V CA 0.078 62.381 62.300 0.005 0.000 0.956 486 V CB 1.678 33.486 31.823 -0.024 0.000 1.023 486 V HN 0.865 nan 8.190 nan 0.000 0.435 487 G N 2.409 111.234 108.800 0.040 0.000 2.599 487 G HA2 -0.329 -0.246 3.960 -6.462 0.000 0.219 487 G HA3 -0.329 -0.246 3.960 -6.462 0.000 0.219 487 G C 1.568 176.494 174.900 0.042 0.000 1.193 487 G CA 2.054 47.193 45.100 0.065 0.000 0.778 487 G HN 1.424 nan 8.290 nan 0.000 0.589 488 S N 0.103 115.819 115.700 0.027 0.000 2.359 488 S HA -0.114 0.479 4.470 -6.462 0.000 0.224 488 S C 2.288 176.918 174.600 0.050 0.000 1.035 488 S CA 1.569 59.786 58.200 0.027 0.000 1.018 488 S CB -0.698 62.510 63.200 0.014 0.000 0.876 488 S HN 0.142 nan 8.310 nan 0.000 0.448 489 V N 2.085 122.031 119.914 0.053 0.000 2.343 489 V HA -0.085 0.158 4.120 -6.462 0.000 0.247 489 V C 2.518 178.725 176.094 0.189 0.000 1.051 489 V CA 1.653 64.013 62.300 0.101 0.000 1.036 489 V CB -0.789 31.044 31.823 0.017 0.000 0.654 489 V HN 0.442 nan 8.190 nan 0.000 0.451 490 L N -0.838 120.447 121.223 0.104 0.000 2.093 490 L HA -0.226 0.238 4.340 -6.462 0.000 0.208 490 L C 2.598 179.467 176.870 -0.001 0.000 1.085 490 L CA 1.528 56.413 54.840 0.075 0.000 0.755 490 L CB -0.452 41.640 42.059 0.054 0.000 0.904 490 L HN 0.359 nan 8.230 nan 0.000 0.435 491 Q N -0.555 119.240 119.800 -0.008 0.000 2.079 491 Q HA -0.231 0.232 4.340 -6.462 0.000 0.200 491 Q C 2.160 178.118 176.000 -0.069 0.000 0.974 491 Q CA 1.337 57.101 55.803 -0.064 0.000 0.840 491 Q CB -0.001 28.721 28.738 -0.027 0.000 0.898 491 Q HN 0.420 nan 8.270 nan 0.000 0.430 492 E N -0.334 119.863 120.200 -0.006 0.000 2.150 492 E HA -0.156 0.317 4.350 -6.462 0.000 0.193 492 E C 1.913 178.368 176.600 -0.243 0.000 0.985 492 E CA 0.916 57.292 56.400 -0.039 0.000 0.814 492 E CB -0.081 29.678 29.700 0.098 0.000 0.752 492 E HN 0.444 nan 8.360 nan 0.000 0.466 493 G N 0.742 109.371 108.800 -0.285 0.000 2.446 493 G HA2 -0.304 -0.221 3.960 -6.462 0.000 0.217 493 G HA3 -0.304 -0.221 3.960 -6.462 0.000 0.217 493 G C 1.752 176.517 174.900 -0.224 0.000 1.168 493 G CA 1.030 45.880 45.100 -0.416 0.000 0.771 493 G HN 0.357 nan 8.290 nan 0.000 0.551 494 C N 1.348 120.521 119.300 -0.212 0.000 2.442 494 C HA -0.045 0.538 4.460 -6.462 0.000 0.279 494 C C 2.869 177.801 174.990 -0.097 0.000 1.237 494 C CA 1.249 60.093 59.018 -0.289 0.000 1.722 494 C CB -0.934 26.364 27.740 -0.736 0.000 2.056 494 C HN 0.796 nan 8.230 nan 0.000 0.469 495 E N 1.069 121.211 120.200 -0.098 0.000 2.409 495 E HA -0.217 0.256 4.350 -6.462 0.000 0.198 495 E C 1.836 178.426 176.600 -0.016 0.000 1.024 495 E CA 1.059 57.449 56.400 -0.017 0.000 0.861 495 E CB -0.240 29.448 29.700 -0.021 0.000 0.788 495 E HN 0.635 nan 8.360 nan 0.000 0.521 496 K N 0.278 120.636 120.400 -0.071 0.000 2.099 496 K HA 0.014 0.457 4.320 -6.462 0.000 0.203 496 K C 2.046 178.634 176.600 -0.020 0.000 1.047 496 K CA 0.467 56.707 56.287 -0.078 0.000 0.963 496 K CB 0.184 32.563 32.500 -0.201 0.000 0.759 496 K HN 0.051 nan 8.250 nan 0.000 0.451 497 I N 1.745 122.312 120.570 -0.005 0.000 2.226 497 I HA -0.235 0.058 4.170 -6.462 0.000 0.245 497 I C 2.342 178.532 176.117 0.122 0.000 1.100 497 I CA 0.953 62.289 61.300 0.059 0.000 1.374 497 I CB -1.009 37.036 38.000 0.075 0.000 1.057 497 I HN 0.239 nan 8.210 nan 0.000 0.413 498 L N 1.019 122.327 121.223 0.142 0.000 2.042 498 L HA -0.192 0.272 4.340 -6.462 0.000 0.210 498 L C 2.750 179.705 176.870 0.141 0.000 1.076 498 L CA 1.821 56.748 54.840 0.144 0.000 0.749 498 L CB -0.640 41.514 42.059 0.159 0.000 0.893 498 L HN 0.105 nan 8.230 nan 0.000 0.432 499 R N -0.509 120.050 120.500 0.097 0.000 2.096 499 R HA -0.109 0.354 4.340 -6.462 0.000 0.235 499 R C 2.186 178.536 176.300 0.084 0.000 1.127 499 R CA 1.636 57.783 56.100 0.078 0.000 0.968 499 R CB -0.331 29.994 30.300 0.042 0.000 0.861 499 R HN 0.466 nan 8.270 nan 0.000 0.440 500 L N -0.752 120.521 121.223 0.084 0.000 2.291 500 L HA -0.137 0.326 4.340 -6.462 0.000 0.214 500 L C 2.065 178.991 176.870 0.095 0.000 1.120 500 L CA 0.706 55.589 54.840 0.072 0.000 0.799 500 L CB -0.388 41.703 42.059 0.053 0.000 0.925 500 L HN 0.201 nan 8.230 nan 0.000 0.446 501 Y N 0.721 121.034 120.300 0.023 0.000 2.314 501 Y HA -0.072 0.603 4.550 -6.458 0.000 0.293 501 Y C 2.365 178.280 175.900 0.026 0.000 1.129 501 Y CA 1.274 59.384 58.100 0.017 0.000 1.201 501 Y CB -0.189 38.274 38.460 0.005 0.000 0.999 501 Y HN 0.070 nan 8.280 nan 0.000 0.541 502 G N -0.503 108.405 108.800 0.179 0.000 2.432 502 G HA2 -0.251 -0.168 3.960 -6.462 0.000 0.219 502 G HA3 -0.251 -0.168 3.960 -6.462 0.000 0.219 502 G C 1.212 176.169 174.900 0.096 0.000 1.135 502 G CA 1.159 46.333 45.100 0.123 0.000 0.767 502 G HN 0.319 nan 8.290 nan 0.000 0.550 503 D N 0.170 120.616 120.400 0.078 0.000 2.310 503 D HA 0.007 0.770 4.640 -6.462 0.000 0.212 503 D C 2.510 178.842 176.300 0.054 0.000 0.965 503 D CA 0.121 54.178 54.000 0.096 0.000 0.879 503 D CB -0.050 40.778 40.800 0.046 0.000 0.921 503 D HN 0.282 nan 8.370 nan 0.000 0.510 504 L N 0.695 121.873 121.223 -0.074 0.000 2.131 504 L HA -0.190 0.273 4.340 -6.462 0.000 0.210 504 L C 2.294 179.092 176.870 -0.120 0.000 1.092 504 L CA 0.979 55.728 54.840 -0.151 0.000 0.759 504 L CB -0.376 41.461 42.059 -0.370 0.000 0.903 504 L HN 0.154 nan 8.230 nan 0.000 0.435 505 Q N -1.576 118.150 119.800 -0.124 0.000 2.515 505 Q HA -0.149 0.314 4.340 -6.462 0.000 0.212 505 Q C 1.103 176.945 176.000 -0.264 0.000 0.970 505 Q CA 1.026 56.718 55.803 -0.186 0.000 0.941 505 Q CB -0.080 28.531 28.738 -0.212 0.000 0.998 505 Q HN 0.556 nan 8.270 nan 0.000 0.518 506 H N 0.254 119.299 119.070 -0.041 0.000 2.893 506 H HA 0.180 0.859 4.556 -6.462 0.000 0.270 506 H C -0.055 175.261 175.328 -0.020 0.000 1.095 506 H CA -0.347 55.686 56.048 -0.025 0.000 1.186 506 H CB 0.654 30.406 29.762 -0.016 0.000 1.562 506 H HN 0.223 nan 8.280 nan 0.000 0.536 507 L N 0.780 122.040 121.223 0.062 0.000 2.456 507 L HA 0.298 0.761 4.340 -6.462 0.000 0.272 507 L C 0.380 177.270 176.870 0.032 0.000 1.189 507 L CA -0.414 54.454 54.840 0.046 0.000 0.846 507 L CB 0.210 42.281 42.059 0.020 0.000 1.111 507 L HN -0.205 nan 8.230 nan 0.000 0.475 508 K N 0.845 121.273 120.400 0.048 0.000 2.213 508 K HA 0.590 1.033 4.320 -6.462 0.000 0.270 508 K C -0.503 176.135 176.600 0.063 0.000 1.002 508 K CA -0.156 56.143 56.287 0.019 0.000 0.868 508 K CB 1.316 33.833 32.500 0.028 0.000 1.093 508 K HN 0.846 nan 8.250 nan 0.000 0.454 509 T N 3.596 118.147 114.554 -0.005 0.000 2.887 509 T HA 0.483 0.956 4.350 -6.462 0.000 0.288 509 T C -0.032 174.657 174.700 -0.019 0.000 1.021 509 T CA -0.511 61.626 62.100 0.062 0.000 1.000 509 T CB 0.456 69.327 68.868 0.006 0.000 1.034 509 T HN 0.518 nan 8.240 nan 0.000 0.467 510 F N 0.366 120.309 119.950 -0.012 0.000 2.480 510 F HA 0.285 0.935 4.527 -6.462 0.000 0.280 510 F C 1.466 177.255 175.800 -0.018 0.000 1.002 510 F CA -0.285 57.712 58.000 -0.005 0.000 1.325 510 F CB 0.347 39.348 39.000 0.003 0.000 1.134 510 F HN 0.434 nan 8.300 nan 0.000 0.646 511 D N 1.065 121.561 120.400 0.159 0.000 2.401 511 D HA 0.012 0.775 4.640 -6.462 0.000 0.254 511 D C 0.492 176.771 176.300 -0.036 0.000 1.192 511 D CA 0.231 54.269 54.000 0.063 0.000 0.885 511 D CB 0.967 41.798 40.800 0.052 0.000 1.147 511 D HN 0.044 nan 8.370 nan 0.000 0.478 512 R N 2.010 122.480 120.500 -0.049 0.000 2.393 512 R HA 0.253 0.716 4.340 -6.462 0.000 0.244 512 R C 0.934 177.157 176.300 -0.127 0.000 0.920 512 R CA -0.266 55.744 56.100 -0.150 0.000 1.076 512 R CB 0.800 31.070 30.300 -0.050 0.000 1.119 512 R HN 0.402 nan 8.270 nan 0.000 0.524 513 G N -0.562 108.203 108.800 -0.057 0.000 2.651 513 G HA2 0.077 0.160 3.960 -6.462 0.000 0.260 513 G HA3 0.077 0.160 3.960 -6.462 0.000 0.260 513 G C 0.616 175.492 174.900 -0.040 0.000 1.216 513 G CA -0.388 44.697 45.100 -0.025 0.000 0.913 513 G HN 0.008 nan 8.290 nan 0.000 0.535 514 M N -0.691 118.904 119.600 -0.007 0.000 2.718 514 M HA 0.107 0.710 4.480 -6.462 0.000 0.259 514 M C 0.947 177.257 176.300 0.017 0.000 1.240 514 M CA 0.512 55.811 55.300 -0.001 0.000 1.210 514 M CB -0.081 32.523 32.600 0.006 0.000 1.281 514 M HN 0.135 nan 8.290 nan 0.000 0.515 515 V N 1.066 121.013 119.914 0.055 0.000 2.585 515 V HA -0.095 0.148 4.120 -6.462 0.000 0.296 515 V C -0.434 175.774 176.094 0.189 0.000 1.035 515 V CA -0.164 62.205 62.300 0.115 0.000 1.084 515 V CB -0.494 31.415 31.823 0.144 0.000 0.953 515 V HN 0.706 nan 8.190 nan 0.000 0.483 516 W N 3.810 125.105 121.300 -0.008 0.000 7.193 516 W HA -0.224 0.559 4.660 -6.461 0.000 0.423 516 W C 0.916 177.427 176.519 -0.014 0.000 1.702 516 W CA 0.438 57.779 57.345 -0.007 0.000 1.167 516 W CB -0.820 28.640 29.460 -0.001 0.000 2.934 516 W HN 0.709 nan 8.180 nan 0.000 1.576 517 N N 0.842 119.575 118.700 0.055 0.000 2.968 517 N HA 0.058 0.921 4.740 -6.462 0.000 0.271 517 N C 1.392 176.907 175.510 0.009 0.000 1.174 517 N CA 0.910 53.976 53.050 0.027 0.000 1.096 517 N CB 0.432 38.893 38.487 -0.042 0.000 1.403 517 N HN 0.303 nan 8.380 nan 0.000 0.522 518 T N -1.195 113.420 114.554 0.100 0.000 2.833 518 T HA -0.160 0.313 4.350 -6.462 0.000 0.269 518 T C 1.439 176.161 174.700 0.036 0.000 1.054 518 T CA 0.803 62.957 62.100 0.090 0.000 1.135 518 T CB -0.041 68.935 68.868 0.180 0.000 0.869 518 T HN 0.227 nan 8.240 nan 0.000 0.466 519 D N 1.298 121.720 120.400 0.037 0.000 2.116 519 D HA -0.121 0.642 4.640 -6.462 0.000 0.193 519 D C 1.956 178.248 176.300 -0.013 0.000 0.998 519 D CA 1.094 55.111 54.000 0.028 0.000 0.836 519 D CB -0.457 40.374 40.800 0.051 0.000 0.951 519 D HN 0.368 nan 8.370 nan 0.000 0.449 520 L N 0.562 121.753 121.223 -0.053 0.000 2.005 520 L HA -0.118 0.345 4.340 -6.462 0.000 0.207 520 L C 2.679 179.445 176.870 -0.173 0.000 1.072 520 L CA 2.140 56.913 54.840 -0.113 0.000 0.744 520 L CB -1.010 40.965 42.059 -0.140 0.000 0.895 520 L HN 0.119 nan 8.230 nan 0.000 0.433 521 V N -2.448 117.341 119.914 -0.208 0.000 2.392 521 V HA -0.248 -0.005 4.120 -6.462 0.000 0.249 521 V C 2.154 178.118 176.094 -0.218 0.000 1.059 521 V CA 2.046 64.131 62.300 -0.359 0.000 1.051 521 V CB -1.264 30.376 31.823 -0.304 0.000 0.658 521 V HN 0.614 nan 8.190 nan 0.000 0.455 522 E N 0.502 120.662 120.200 -0.067 0.000 2.268 522 E HA -0.112 0.361 4.350 -6.462 0.000 0.195 522 E C 2.226 178.823 176.600 -0.006 0.000 0.995 522 E CA 1.580 57.986 56.400 0.010 0.000 0.836 522 E CB -0.267 29.461 29.700 0.046 0.000 0.763 522 E HN 0.767 nan 8.360 nan 0.000 0.491 523 T N 1.108 115.631 114.554 -0.052 0.000 2.896 523 T HA -0.022 0.451 4.350 -6.462 0.000 0.263 523 T C 1.974 176.630 174.700 -0.073 0.000 1.050 523 T CA 0.381 62.451 62.100 -0.050 0.000 1.140 523 T CB -0.064 68.771 68.868 -0.054 0.000 0.877 523 T HN 0.064 nan 8.240 nan 0.000 0.457 524 L N 0.983 122.113 121.223 -0.155 0.000 2.042 524 L HA -0.133 0.330 4.340 -6.462 0.000 0.210 524 L C 2.760 179.633 176.870 0.005 0.000 1.076 524 L CA 1.484 56.223 54.840 -0.167 0.000 0.749 524 L CB -0.534 41.217 42.059 -0.513 0.000 0.893 524 L HN 0.312 nan 8.230 nan 0.000 0.432 525 E N -0.379 119.850 120.200 0.049 0.000 2.118 525 E HA -0.270 0.203 4.350 -6.462 0.000 0.195 525 E C 2.110 178.767 176.600 0.095 0.000 0.992 525 E CA 1.128 57.625 56.400 0.162 0.000 0.804 525 E CB -0.153 29.651 29.700 0.174 0.000 0.741 525 E HN 0.276 nan 8.360 nan 0.000 0.458 526 L N 1.350 122.603 121.223 0.049 0.000 2.056 526 L HA -0.201 0.262 4.340 -6.462 0.000 0.207 526 L C 2.126 179.010 176.870 0.023 0.000 1.078 526 L CA 1.724 56.585 54.840 0.035 0.000 0.749 526 L CB -0.275 41.794 42.059 0.016 0.000 0.901 526 L HN 0.049 nan 8.230 nan 0.000 0.433 527 Q N -0.724 119.078 119.800 0.004 0.000 2.096 527 Q HA -0.218 0.246 4.340 -6.462 0.000 0.204 527 Q C 1.941 177.973 176.000 0.054 0.000 0.982 527 Q CA 1.752 57.556 55.803 0.003 0.000 0.850 527 Q CB -0.339 28.389 28.738 -0.016 0.000 0.901 527 Q HN 0.529 nan 8.270 nan 0.000 0.422 528 N N 0.732 119.470 118.700 0.064 0.000 2.120 528 N HA -0.129 0.734 4.740 -6.462 0.000 0.188 528 N C 1.785 177.313 175.510 0.030 0.000 1.024 528 N CA 1.030 54.115 53.050 0.058 0.000 0.852 528 N CB -0.314 38.232 38.487 0.099 0.000 1.003 528 N HN 0.179 nan 8.380 nan 0.000 0.424 529 L N 0.069 121.323 121.223 0.052 0.000 2.017 529 L HA -0.117 0.346 4.340 -6.462 0.000 0.208 529 L C 2.312 179.203 176.870 0.035 0.000 1.073 529 L CA 0.898 55.768 54.840 0.050 0.000 0.745 529 L CB -0.312 41.791 42.059 0.072 0.000 0.894 529 L HN 0.152 nan 8.230 nan 0.000 0.432 530 M N -0.443 119.196 119.600 0.065 0.000 2.065 530 M HA -0.235 0.368 4.480 -6.462 0.000 0.259 530 M C 2.432 178.788 176.300 0.094 0.000 1.069 530 M CA 1.912 57.281 55.300 0.114 0.000 1.110 530 M CB -1.118 31.602 32.600 0.200 0.000 1.328 530 M HN 0.239 nan 8.290 nan 0.000 0.405 531 L N -0.786 120.493 121.223 0.094 0.000 2.129 531 L HA -0.288 0.176 4.340 -6.462 0.000 0.212 531 L C 2.623 179.424 176.870 -0.115 0.000 1.087 531 L CA 0.997 55.835 54.840 -0.004 0.000 0.757 531 L CB -0.696 41.370 42.059 0.012 0.000 0.896 531 L HN 0.379 nan 8.230 nan 0.000 0.434 532 C N -0.805 118.397 119.300 -0.165 0.000 2.466 532 C HA -0.015 0.568 4.460 -6.462 0.000 0.278 532 C C 3.108 177.957 174.990 -0.235 0.000 1.288 532 C CA 0.540 59.332 59.018 -0.376 0.000 1.722 532 C CB -0.865 26.510 27.740 -0.608 0.000 2.017 532 C HN 0.612 nan 8.230 nan 0.000 0.488 533 A N 0.337 123.113 122.820 -0.074 0.000 1.898 533 A HA -0.080 0.363 4.320 -6.462 0.000 0.216 533 A C 2.110 179.709 177.584 0.024 0.000 1.181 533 A CA 1.298 53.336 52.037 0.002 0.000 0.620 533 A CB -0.664 18.339 19.000 0.005 0.000 0.819 533 A HN 0.568 nan 8.150 nan 0.000 0.442 534 L N -0.622 120.606 121.223 0.009 0.000 2.013 534 L HA -0.309 0.155 4.340 -6.462 0.000 0.212 534 L C 2.944 179.845 176.870 0.051 0.000 1.073 534 L CA 1.949 56.806 54.840 0.028 0.000 0.753 534 L CB -0.442 41.542 42.059 -0.124 0.000 0.890 534 L HN 0.510 nan 8.230 nan 0.000 0.432 535 Q N -1.387 118.391 119.800 -0.037 0.000 2.172 535 Q HA -0.140 0.323 4.340 -6.462 0.000 0.200 535 Q C 2.085 178.110 176.000 0.043 0.000 0.964 535 Q CA 1.757 57.543 55.803 -0.028 0.000 0.855 535 Q CB -0.128 28.547 28.738 -0.104 0.000 0.918 535 Q HN 0.519 nan 8.270 nan 0.000 0.444 536 T N 1.284 115.876 114.554 0.062 0.000 2.674 536 T HA -0.151 0.322 4.350 -6.462 0.000 0.265 536 T C 1.819 176.592 174.700 0.122 0.000 1.039 536 T CA 1.136 63.315 62.100 0.132 0.000 1.150 536 T CB -0.181 68.822 68.868 0.225 0.000 0.864 536 T HN 0.167 nan 8.240 nan 0.000 0.427 537 I N -0.261 120.386 120.570 0.129 0.000 2.286 537 I HA -0.030 0.263 4.170 -6.462 0.000 0.245 537 I C 1.957 178.122 176.117 0.080 0.000 1.104 537 I CA 1.178 62.541 61.300 0.105 0.000 1.397 537 I CB -0.245 37.799 38.000 0.074 0.000 1.072 537 I HN 0.164 nan 8.210 nan 0.000 0.417 538 Y N 0.704 121.008 120.300 0.006 0.000 2.163 538 Y HA -0.065 0.605 4.550 -6.467 0.000 0.288 538 Y C 2.588 178.494 175.900 0.010 0.000 1.136 538 Y CA 1.830 59.934 58.100 0.008 0.000 1.147 538 Y CB -1.183 37.273 38.460 -0.006 0.000 0.987 538 Y HN 0.206 nan 8.280 nan 0.000 0.509 539 G N -0.719 108.175 108.800 0.156 0.000 2.422 539 G HA2 -0.245 -0.162 3.960 -6.462 0.000 0.218 539 G HA3 -0.245 -0.162 3.960 -6.462 0.000 0.218 539 G C 1.880 176.748 174.900 -0.054 0.000 1.146 539 G CA 0.952 46.092 45.100 0.067 0.000 0.769 539 G HN 0.479 nan 8.290 nan 0.000 0.547 540 A N 1.392 124.179 122.820 -0.055 0.000 1.902 540 A HA -0.023 0.420 4.320 -6.462 0.000 0.217 540 A C 2.188 179.792 177.584 0.034 0.000 1.181 540 A CA 2.208 54.203 52.037 -0.070 0.000 0.623 540 A CB -0.408 18.649 19.000 0.094 0.000 0.818 540 A HN 0.513 nan 8.150 nan 0.000 0.443 541 E N 0.519 120.730 120.200 0.017 0.000 2.106 541 E HA 0.040 0.513 4.350 -6.462 0.000 0.192 541 E C 1.725 178.322 176.600 -0.005 0.000 0.984 541 E CA 1.666 58.072 56.400 0.010 0.000 0.806 541 E CB -0.539 29.124 29.700 -0.062 0.000 0.750 541 E HN 0.398 nan 8.360 nan 0.000 0.458 542 A N 0.761 123.575 122.820 -0.009 0.000 1.968 542 A HA -0.001 0.442 4.320 -6.462 0.000 0.217 542 A C 1.663 179.067 177.584 -0.299 0.000 1.169 542 A CA 0.626 52.670 52.037 0.012 0.000 0.638 542 A CB -0.484 18.631 19.000 0.192 0.000 0.812 542 A HN 0.191 nan 8.150 nan 0.000 0.446 543 R N 1.246 121.451 120.500 -0.492 0.000 2.357 543 R HA 0.120 0.583 4.340 -6.462 0.000 0.330 543 R C -0.721 175.092 176.300 -0.812 0.000 1.102 543 R CA 0.132 55.606 56.100 -1.044 0.000 0.974 543 R CB -0.082 29.720 30.300 -0.830 0.000 1.002 543 R HN 0.210 nan 8.270 nan 0.000 0.463 544 K N 4.913 124.525 120.400 -1.314 0.000 3.000 544 K HA 0.065 0.508 4.320 -6.462 0.000 0.239 544 K C -0.808 175.341 176.600 -0.750 0.000 1.269 544 K CA -0.152 55.573 56.287 -0.936 0.000 1.220 544 K CB 0.270 32.099 32.500 -1.118 0.000 1.645 544 K HN 0.678 nan 8.250 nan 0.000 0.423 545 E N -1.738 118.253 120.200 -0.348 0.000 2.423 545 E HA 0.303 0.776 4.350 -6.462 0.000 0.280 545 E C -1.286 175.374 176.600 0.101 0.000 1.030 545 E CA -1.007 55.369 56.400 -0.040 0.000 0.812 545 E CB 1.181 30.854 29.700 -0.045 0.000 1.313 545 E HN -0.157 nan 8.360 nan 0.000 0.456 546 S N 0.754 116.540 115.700 0.143 0.000 2.461 546 S HA 0.445 1.038 4.470 -6.462 0.000 0.322 546 S C -0.740 173.971 174.600 0.184 0.000 1.063 546 S CA -0.682 57.600 58.200 0.136 0.000 1.120 546 S CB 0.380 63.647 63.200 0.111 0.000 0.968 546 S HN 0.429 nan 8.310 nan 0.000 0.467 547 R N 2.538 123.189 120.500 0.252 0.000 2.500 547 R HA 0.528 0.991 4.340 -6.462 0.000 0.299 547 R C 0.781 177.297 176.300 0.359 0.000 1.038 547 R CA 0.306 56.587 56.100 0.301 0.000 0.903 547 R CB 0.531 31.038 30.300 0.346 0.000 1.177 547 R HN 0.847 nan 8.270 nan 0.000 0.455 548 G N 2.731 111.686 108.800 0.258 0.000 2.596 548 G HA2 -0.472 -0.389 3.960 -6.462 0.000 0.304 548 G HA3 -0.472 -0.389 3.960 -6.462 0.000 0.304 548 G C 0.756 175.786 174.900 0.217 0.000 1.189 548 G CA 0.543 45.782 45.100 0.233 0.000 0.986 548 G HN 0.791 nan 8.290 nan 0.000 0.548 549 A N -0.729 122.266 122.820 0.291 0.000 2.014 549 A HA 0.164 0.607 4.320 -6.462 0.000 0.218 549 A C 1.313 179.005 177.584 0.180 0.000 1.163 549 A CA 1.652 53.825 52.037 0.228 0.000 0.652 549 A CB -0.406 18.768 19.000 0.290 0.000 0.808 549 A HN 0.991 nan 8.150 nan 0.000 0.449 550 H N 0.627 119.768 119.070 0.117 0.000 3.015 550 H HA 0.462 1.132 4.556 -6.478 0.000 0.268 550 H C -0.684 174.639 175.328 -0.008 0.000 1.113 550 H CA 0.293 56.308 56.048 -0.055 0.000 1.479 550 H CB 0.207 29.780 29.762 -0.315 0.000 1.493 550 H HN 0.240 nan 8.280 nan 0.000 0.486 551 A N 7.605 130.228 122.820 -0.328 0.000 2.285 551 A HA 0.370 0.813 4.320 -6.462 0.000 0.310 551 A C -0.148 177.293 177.584 -0.238 0.000 1.266 551 A CA -0.905 51.003 52.037 -0.216 0.000 0.832 551 A CB 0.511 19.389 19.000 -0.205 0.000 1.163 551 A HN 0.645 nan 8.150 nan 0.000 0.499 552 R N 2.135 122.538 120.500 -0.161 0.000 2.254 552 R HA 0.224 0.687 4.340 -6.462 0.000 0.318 552 R C 0.196 176.515 176.300 0.032 0.000 1.031 552 R CA -0.343 55.724 56.100 -0.055 0.000 0.905 552 R CB 1.135 31.486 30.300 0.086 0.000 1.050 552 R HN 0.777 nan 8.270 nan 0.000 0.456 553 E N 1.414 121.625 120.200 0.018 0.000 2.358 553 E HA -0.105 0.368 4.350 -6.462 0.000 0.195 553 E C 0.341 176.876 176.600 -0.108 0.000 1.010 553 E CA 0.814 57.205 56.400 -0.015 0.000 0.856 553 E CB 0.445 30.121 29.700 -0.040 0.000 0.795 553 E HN 0.513 nan 8.360 nan 0.000 0.504 554 D N 0.130 120.414 120.400 -0.193 0.000 2.149 554 D HA -0.080 0.683 4.640 -6.462 0.000 0.206 554 D C 0.436 176.345 176.300 -0.652 0.000 0.967 554 D CA 0.684 54.379 54.000 -0.508 0.000 0.848 554 D CB -0.139 40.187 40.800 -0.791 0.000 0.998 554 D HN 0.134 nan 8.370 nan 0.000 0.474 555 F N 2.015 121.968 119.950 0.004 0.000 2.371 555 F HA 0.265 1.028 4.527 -6.273 0.000 0.343 555 F C 1.365 177.180 175.800 0.024 0.000 1.150 555 F CA -0.889 57.123 58.000 0.019 0.000 1.220 555 F CB 0.934 39.942 39.000 0.013 0.000 1.475 555 F HN -0.261 nan 8.300 nan 0.000 0.521 556 K N -0.386 120.091 120.400 0.129 0.000 2.504 556 K HA -0.000 0.443 4.320 -6.462 0.000 0.195 556 K C -0.124 176.557 176.600 0.134 0.000 1.036 556 K CA 0.485 56.841 56.287 0.115 0.000 0.984 556 K CB 0.024 32.572 32.500 0.080 0.000 0.788 556 K HN 0.386 nan 8.250 nan 0.000 0.488 557 E N 2.024 122.321 120.200 0.161 0.000 2.366 557 E HA 0.111 0.584 4.350 -6.462 0.000 0.266 557 E C -0.241 176.455 176.600 0.160 0.000 1.051 557 E CA -0.426 56.065 56.400 0.152 0.000 0.884 557 E CB 1.036 30.834 29.700 0.162 0.000 1.006 557 E HN -0.026 nan 8.360 nan 0.000 0.417 558 R N 2.096 122.685 120.500 0.148 0.000 2.205 558 R HA 0.214 0.677 4.340 -6.462 0.000 0.342 558 R C -1.033 175.367 176.300 0.167 0.000 1.058 558 R CA -0.436 55.761 56.100 0.161 0.000 0.904 558 R CB 0.336 30.724 30.300 0.146 0.000 1.089 558 R HN 0.225 nan 8.270 nan 0.000 0.471 559 V N 5.956 125.992 119.914 0.203 0.000 2.334 559 V HA 0.164 0.407 4.120 -6.462 0.000 0.267 559 V C 0.330 176.556 176.094 0.220 0.000 1.040 559 V CA -0.344 62.085 62.300 0.215 0.000 0.866 559 V CB 1.098 33.095 31.823 0.291 0.000 1.019 559 V HN 0.644 nan 8.190 nan 0.000 0.468 560 D N 3.067 123.566 120.400 0.165 0.000 2.592 560 D HA 0.301 1.064 4.640 -6.462 0.000 0.259 560 D C 0.883 177.136 176.300 -0.079 0.000 1.144 560 D CA -0.558 53.522 54.000 0.135 0.000 1.080 560 D CB 1.397 42.368 40.800 0.284 0.000 1.225 560 D HN 0.508 nan 8.370 nan 0.000 0.619 561 E N -0.613 119.391 120.200 -0.327 0.000 2.150 561 E HA -0.088 0.385 4.350 -6.462 0.000 0.193 561 E C -0.087 176.167 176.600 -0.577 0.000 0.985 561 E CA 1.255 57.259 56.400 -0.659 0.000 0.814 561 E CB -0.142 29.167 29.700 -0.651 0.000 0.752 561 E HN 0.360 nan 8.360 nan 0.000 0.466 562 Y N -0.355 119.767 120.300 -0.297 0.000 2.598 562 Y HA 0.298 0.974 4.550 -6.457 0.000 0.340 562 Y C -0.283 175.411 175.900 -0.343 0.000 1.038 562 Y CA -1.535 56.282 58.100 -0.473 0.000 1.100 562 Y CB 1.239 39.125 38.460 -0.956 0.000 1.281 562 Y HN -0.259 nan 8.280 nan 0.000 0.488 563 D N 0.819 121.169 120.400 -0.083 0.000 2.470 563 D HA 0.058 0.821 4.640 -6.462 0.000 0.226 563 D C -0.110 176.139 176.300 -0.084 0.000 1.196 563 D CA 0.384 54.362 54.000 -0.037 0.000 0.979 563 D CB -0.279 40.512 40.800 -0.016 0.000 1.059 563 D HN 0.469 nan 8.370 nan 0.000 0.515 564 Y N 0.846 121.136 120.300 -0.017 0.000 2.632 564 Y HA -0.127 0.541 4.550 -6.469 0.000 0.301 564 Y C 2.478 178.323 175.900 -0.092 0.000 1.172 564 Y CA 0.527 58.575 58.100 -0.086 0.000 1.328 564 Y CB 0.141 38.499 38.460 -0.170 0.000 1.016 564 Y HN 0.365 nan 8.280 nan 0.000 0.529 565 S N 0.014 115.748 115.700 0.057 0.000 2.357 565 S HA -0.101 0.492 4.470 -6.462 0.000 0.221 565 S C 0.904 175.506 174.600 0.003 0.000 1.031 565 S CA 0.201 58.415 58.200 0.024 0.000 0.982 565 S CB -0.361 62.854 63.200 0.024 0.000 0.853 565 S HN 0.391 nan 8.310 nan 0.000 0.458 566 K N 1.659 122.051 120.400 -0.013 0.000 2.148 566 K HA 0.591 1.034 4.320 -6.462 0.000 0.239 566 K C -3.058 173.511 176.600 -0.052 0.000 1.018 566 K CA -2.221 54.050 56.287 -0.027 0.000 0.923 566 K CB -0.758 31.728 32.500 -0.024 0.000 1.117 566 K HN -0.077 nan 8.250 nan 0.000 0.477 567 P HA -0.080 nan 4.420 nan 0.000 0.266 567 P C 0.168 177.392 177.300 -0.127 0.000 1.193 567 P CA -0.110 62.946 63.100 -0.074 0.000 0.770 567 P CB 0.319 31.985 31.700 -0.056 0.000 0.836 568 I N 1.684 122.151 120.570 -0.172 0.000 2.716 568 I HA -0.137 0.156 4.170 -6.462 0.000 0.259 568 I C 2.039 178.011 176.117 -0.242 0.000 1.172 568 I CA 1.158 62.272 61.300 -0.311 0.000 1.478 568 I CB -0.628 37.164 38.000 -0.347 0.000 1.104 568 I HN 0.314 nan 8.210 nan 0.000 0.439 569 Q N 1.272 120.988 119.800 -0.140 0.000 1.807 569 Q HA -0.238 0.225 4.340 -6.462 0.000 0.426 569 Q C 0.961 176.919 176.000 -0.069 0.000 1.040 569 Q CA 2.588 58.337 55.803 -0.090 0.000 0.868 569 Q CB -1.138 27.565 28.738 -0.058 0.000 0.956 569 Q HN 0.545 nan 8.270 nan 0.000 0.419 570 G N 0.475 109.250 108.800 -0.040 0.000 3.102 570 G HA2 0.414 0.497 3.960 -6.462 0.000 0.345 570 G HA3 0.414 0.497 3.960 -6.462 0.000 0.345 570 G C -1.184 173.721 174.900 0.008 0.000 1.200 570 G CA -0.341 44.752 45.100 -0.011 0.000 1.163 570 G HN 0.272 nan 8.290 nan 0.000 0.465 571 Q N 0.411 120.239 119.800 0.047 0.000 2.484 571 Q HA 0.427 0.890 4.340 -6.462 0.000 0.285 571 Q C -0.957 175.113 176.000 0.116 0.000 1.097 571 Q CA -0.967 54.888 55.803 0.088 0.000 0.802 571 Q CB 2.333 31.153 28.738 0.136 0.000 1.444 571 Q HN 0.394 nan 8.270 nan 0.000 0.429 572 Q N 2.233 122.055 119.800 0.036 0.000 2.314 572 Q HA 0.172 0.635 4.340 -6.462 0.000 0.257 572 Q C -1.208 174.677 176.000 -0.192 0.000 0.975 572 Q CA 0.141 55.922 55.803 -0.037 0.000 0.933 572 Q CB 0.785 29.495 28.738 -0.046 0.000 1.195 572 Q HN 0.334 nan 8.270 nan 0.000 0.426 573 K N 3.736 123.974 120.400 -0.270 0.000 2.368 573 K HA 0.120 0.564 4.320 -6.462 0.000 0.282 573 K C -0.680 175.715 176.600 -0.341 0.000 1.035 573 K CA -0.171 55.756 56.287 -0.600 0.000 0.973 573 K CB 0.534 32.789 32.500 -0.407 0.000 0.957 573 K HN 0.539 nan 8.250 nan 0.000 0.474 574 K N 5.096 125.274 120.400 -0.370 0.000 2.249 574 K HA 0.197 0.640 4.320 -6.462 0.000 0.280 574 K C -2.299 174.288 176.600 -0.022 0.000 1.033 574 K CA -1.741 54.450 56.287 -0.160 0.000 0.946 574 K CB 0.803 33.227 32.500 -0.128 0.000 1.005 574 K HN 0.435 nan 8.250 nan 0.000 0.469 575 P HA -0.095 nan 4.420 nan 0.000 0.269 575 P C 0.096 177.448 177.300 0.088 0.000 1.217 575 P CA -0.045 63.088 63.100 0.055 0.000 0.783 575 P CB 0.375 32.079 31.700 0.007 0.000 0.898 576 F N 1.335 121.256 119.950 -0.048 0.000 2.095 576 F HA -0.214 0.463 4.527 -6.418 0.000 0.298 576 F C 1.909 177.458 175.800 -0.419 0.000 1.104 576 F CA 1.468 59.360 58.000 -0.180 0.000 1.232 576 F CB -0.053 38.897 39.000 -0.083 0.000 0.987 576 F HN 0.299 nan 8.300 nan 0.000 0.475 577 Q N 0.397 120.074 119.800 -0.205 0.000 2.239 577 Q HA -0.041 0.422 4.340 -6.462 0.000 0.219 577 Q C 0.690 176.413 176.000 -0.462 0.000 0.901 577 Q CA 0.600 56.179 55.803 -0.374 0.000 0.949 577 Q CB 0.161 28.822 28.738 -0.129 0.000 1.038 577 Q HN 0.652 nan 8.270 nan 0.000 0.458 578 E N 0.368 120.282 120.200 -0.477 0.000 2.441 578 E HA 0.018 0.491 4.350 -6.462 0.000 0.212 578 E C 0.246 176.589 176.600 -0.427 0.000 0.840 578 E CA -0.097 56.083 56.400 -0.368 0.000 1.143 578 E CB 0.386 29.984 29.700 -0.170 0.000 1.153 578 E HN 0.598 nan 8.360 nan 0.000 0.539 579 H N -2.808 115.947 119.070 -0.525 0.000 2.630 579 H HA 0.160 0.845 4.556 -6.452 0.000 0.343 579 H C -0.529 174.378 175.328 -0.702 0.000 1.232 579 H CA -0.805 54.968 56.048 -0.459 0.000 1.294 579 H CB 0.458 30.067 29.762 -0.254 0.000 1.746 579 H HN 0.080 nan 8.280 nan 0.000 0.593 580 W N -0.116 121.101 121.300 -0.138 0.000 2.846 580 W HA 0.332 4.837 4.660 -0.258 0.000 0.391 580 W C 1.074 177.541 176.519 -0.086 0.000 1.011 580 W CA -0.570 56.636 57.345 -0.232 0.000 1.832 580 W CB 0.778 30.154 29.460 -0.141 0.000 1.151 580 W HN 0.373 nan 8.180 nan 0.000 0.582 581 R N 3.345 124.020 120.500 0.292 0.000 4.164 581 R HA 0.072 0.535 4.340 -6.462 0.000 0.195 581 R C -0.174 176.180 176.300 0.090 0.000 1.712 581 R CA 0.461 56.699 56.100 0.229 0.000 1.457 581 R CB -0.873 29.575 30.300 0.246 0.000 1.387 581 R HN 0.032 nan 8.270 nan 0.000 0.785 582 K N 0.043 120.437 120.400 -0.011 0.000 2.568 582 K HA 0.245 0.688 4.320 -6.462 0.000 0.273 582 K C -1.246 175.397 176.600 0.072 0.000 0.951 582 K CA -1.037 55.225 56.287 -0.040 0.000 0.854 582 K CB 1.098 33.470 32.500 -0.213 0.000 1.424 582 K HN 0.102 nan 8.250 nan 0.000 0.427 583 H N 1.096 120.330 119.070 0.273 0.000 2.683 583 H HA 0.121 0.803 4.556 -6.458 0.000 0.339 583 H C -0.262 175.286 175.328 0.366 0.000 1.081 583 H CA 0.047 56.248 56.048 0.254 0.000 1.432 583 H CB 1.123 30.967 29.762 0.137 0.000 1.462 583 H HN 0.490 nan 8.280 nan 0.000 0.557 584 T N 5.169 120.004 114.554 0.469 0.000 2.737 584 T HA 0.236 0.709 4.350 -6.462 0.000 0.296 584 T C 0.852 175.560 174.700 0.012 0.000 0.922 584 T CA -0.445 61.804 62.100 0.249 0.000 1.079 584 T CB -0.019 69.028 68.868 0.298 0.000 0.892 584 T HN 0.233 nan 8.240 nan 0.000 0.514 585 L N 4.199 125.307 121.223 -0.192 0.000 2.280 585 L HA 0.443 0.906 4.340 -6.462 0.000 0.287 585 L C 0.472 177.206 176.870 -0.227 0.000 1.023 585 L CA -0.626 54.089 54.840 -0.209 0.000 0.819 585 L CB 1.120 43.059 42.059 -0.200 0.000 1.212 585 L HN 0.667 nan 8.230 nan 0.000 0.420 586 S N 1.968 117.501 115.700 -0.278 0.000 2.472 586 S HA 0.756 1.349 4.470 -6.462 0.000 0.303 586 S C -0.967 173.409 174.600 -0.373 0.000 1.099 586 S CA -0.715 57.363 58.200 -0.202 0.000 1.077 586 S CB 1.388 64.514 63.200 -0.123 0.000 1.031 586 S HN 0.317 nan 8.310 nan 0.000 0.487 587 Y N 0.399 120.631 120.300 -0.114 0.000 2.598 587 Y HA 0.782 1.451 4.550 -6.467 0.000 0.340 587 Y C -0.179 175.632 175.900 -0.148 0.000 1.038 587 Y CA -1.186 56.846 58.100 -0.112 0.000 1.100 587 Y CB 2.009 40.414 38.460 -0.092 0.000 1.281 587 Y HN 0.706 nan 8.280 nan 0.000 0.488 588 V N 1.905 121.826 119.914 0.012 0.000 2.711 588 V HA 0.284 0.527 4.120 -6.462 0.000 0.304 588 V C -1.169 174.877 176.094 -0.080 0.000 1.097 588 V CA -0.730 61.509 62.300 -0.102 0.000 0.906 588 V CB 1.662 33.359 31.823 -0.211 0.000 1.015 588 V HN 0.905 nan 8.190 nan 0.000 0.427 589 D N 5.034 125.376 120.400 -0.097 0.000 2.363 589 D HA 0.060 0.823 4.640 -6.462 0.000 0.263 589 D C 1.236 177.488 176.300 -0.080 0.000 1.258 589 D CA 0.229 54.186 54.000 -0.071 0.000 0.907 589 D CB 1.889 42.648 40.800 -0.069 0.000 1.107 589 D HN 0.499 nan 8.370 nan 0.000 0.495 590 V N 5.163 125.062 119.914 -0.024 0.000 2.380 590 V HA -0.245 -0.002 4.120 -6.462 0.000 0.251 590 V C 2.526 178.693 176.094 0.123 0.000 1.063 590 V CA 1.580 63.906 62.300 0.043 0.000 1.055 590 V CB -0.479 31.380 31.823 0.059 0.000 0.657 590 V HN 0.576 nan 8.190 nan 0.000 0.455 591 K N 0.460 120.901 120.400 0.068 0.000 1.980 591 K HA -0.142 0.301 4.320 -6.462 0.000 0.208 591 K C 2.309 178.976 176.600 0.111 0.000 1.043 591 K CA 1.914 58.256 56.287 0.093 0.000 0.938 591 K CB -0.379 32.145 32.500 0.040 0.000 0.724 591 K HN 0.644 nan 8.250 nan 0.000 0.438 592 T N -2.435 112.134 114.554 0.025 0.000 3.085 592 T HA 0.077 0.550 4.350 -6.462 0.000 0.263 592 T C 1.260 175.920 174.700 -0.067 0.000 1.127 592 T CA 0.750 62.852 62.100 0.004 0.000 1.103 592 T CB -0.100 68.754 68.868 -0.023 0.000 0.921 592 T HN 0.470 nan 8.240 nan 0.000 0.510 593 G N 1.473 110.137 108.800 -0.228 0.000 2.179 593 G HA2 -0.297 -0.214 3.960 -6.462 0.000 0.257 593 G HA3 -0.297 -0.214 3.960 -6.462 0.000 0.257 593 G C -0.085 174.554 174.900 -0.434 0.000 1.010 593 G CA 0.324 45.055 45.100 -0.616 0.000 0.736 593 G HN 0.779 nan 8.290 nan 0.000 0.513 594 K N 0.268 120.492 120.400 -0.293 0.000 2.276 594 K HA 0.499 0.942 4.320 -6.462 0.000 0.283 594 K C 0.244 176.642 176.600 -0.337 0.000 1.044 594 K CA -0.559 55.558 56.287 -0.284 0.000 0.944 594 K CB 0.909 33.314 32.500 -0.157 0.000 1.012 594 K HN 0.013 nan 8.250 nan 0.000 0.472 595 V N 4.129 123.740 119.914 -0.505 0.000 2.364 595 V HA 0.170 0.413 4.120 -6.462 0.000 0.272 595 V C -0.311 175.662 176.094 -0.202 0.000 1.036 595 V CA -0.620 61.431 62.300 -0.415 0.000 0.880 595 V CB 1.014 32.431 31.823 -0.677 0.000 0.991 595 V HN 0.862 nan 8.190 nan 0.000 0.460 596 S N 6.338 121.992 115.700 -0.077 0.000 2.472 596 S HA 0.916 1.509 4.470 -6.462 0.000 0.303 596 S C -0.736 173.904 174.600 0.066 0.000 1.099 596 S CA -0.857 57.337 58.200 -0.010 0.000 1.077 596 S CB 1.743 64.916 63.200 -0.044 0.000 1.031 596 S HN 0.571 nan 8.310 nan 0.000 0.487 597 L N 0.052 121.301 121.223 0.042 0.000 2.354 597 L HA 0.867 1.330 4.340 -6.462 0.000 0.264 597 L C -0.414 176.398 176.870 -0.097 0.000 1.008 597 L CA -0.971 53.858 54.840 -0.018 0.000 0.819 597 L CB 1.433 43.435 42.059 -0.093 0.000 1.339 597 L HN 0.618 nan 8.230 nan 0.000 0.420 598 E N -0.188 119.877 120.200 -0.226 0.000 2.446 598 E HA 0.643 1.116 4.350 -6.462 0.000 0.267 598 E C -1.904 174.353 176.600 -0.572 0.000 0.955 598 E CA -0.807 55.466 56.400 -0.212 0.000 0.842 598 E CB 2.475 32.207 29.700 0.053 0.000 1.504 598 E HN 0.494 nan 8.360 nan 0.000 0.438 599 Y N -0.048 120.340 120.300 0.146 0.000 2.457 599 Y HA 0.423 1.147 4.550 -6.376 0.000 0.343 599 Y C -0.534 175.488 175.900 0.204 0.000 0.994 599 Y CA -1.070 57.144 58.100 0.190 0.000 1.031 599 Y CB 1.942 40.523 38.460 0.202 0.000 1.246 599 Y HN 0.373 nan 8.280 nan 0.000 0.449 600 R N 1.746 122.430 120.500 0.307 0.000 2.750 600 R HA 0.758 1.221 4.340 -6.462 0.000 0.281 600 R C -3.428 173.155 176.300 0.472 0.000 0.972 600 R CA -2.279 53.977 56.100 0.259 0.000 0.912 600 R CB 2.117 32.375 30.300 -0.071 0.000 1.187 600 R HN 0.206 nan 8.270 nan 0.000 0.464 601 P HA -0.013 nan 4.420 nan 0.000 0.272 601 P C -0.091 177.392 177.300 0.305 0.000 1.223 601 P CA -0.617 62.738 63.100 0.425 0.000 0.784 601 P CB 0.706 32.612 31.700 0.343 0.000 0.923 602 V N 0.449 120.446 119.914 0.138 0.000 2.881 602 V HA 0.311 0.554 4.120 -6.462 0.000 0.303 602 V C 0.067 176.293 176.094 0.219 0.000 1.070 602 V CA -0.345 62.032 62.300 0.128 0.000 1.074 602 V CB -0.035 31.767 31.823 -0.035 0.000 1.012 602 V HN 0.248 nan 8.190 nan 0.000 0.482 603 I N 3.249 123.963 120.570 0.241 0.000 2.304 603 I HA 0.358 0.651 4.170 -6.462 0.000 0.291 603 I C 0.395 176.625 176.117 0.188 0.000 1.018 603 I CA -0.092 61.327 61.300 0.198 0.000 1.260 603 I CB 1.112 39.222 38.000 0.184 0.000 1.390 603 I HN 0.658 nan 8.210 nan 0.000 0.475 604 D N 4.165 124.673 120.400 0.181 0.000 2.324 604 D HA -0.002 0.761 4.640 -6.462 0.000 0.212 604 D C 0.586 177.002 176.300 0.193 0.000 0.984 604 D CA 0.575 54.691 54.000 0.193 0.000 0.885 604 D CB 0.342 41.254 40.800 0.186 0.000 0.996 604 D HN 0.512 nan 8.370 nan 0.000 0.505 605 K N 1.642 122.137 120.400 0.159 0.000 2.401 605 K HA 0.215 0.658 4.320 -6.462 0.000 0.278 605 K C 0.628 177.314 176.600 0.144 0.000 1.018 605 K CA -0.163 56.207 56.287 0.138 0.000 0.981 605 K CB 0.722 33.284 32.500 0.103 0.000 0.933 605 K HN -0.102 nan 8.250 nan 0.000 0.477 606 T N 0.139 114.785 114.554 0.153 0.000 2.833 606 T HA 0.123 0.596 4.350 -6.462 0.000 0.312 606 T C 1.277 176.033 174.700 0.094 0.000 1.085 606 T CA -0.692 61.519 62.100 0.184 0.000 0.955 606 T CB 0.220 69.208 68.868 0.200 0.000 1.353 606 T HN 0.592 nan 8.240 nan 0.000 0.544 607 L N 0.108 121.367 121.223 0.060 0.000 2.418 607 L HA 0.293 0.756 4.340 -6.462 0.000 0.218 607 L C 0.892 177.753 176.870 -0.015 0.000 1.125 607 L CA 0.482 55.211 54.840 -0.184 0.000 0.835 607 L CB -0.221 41.476 42.059 -0.602 0.000 0.953 607 L HN 0.628 nan 8.230 nan 0.000 0.454 608 N N -0.576 118.221 118.700 0.162 0.000 2.752 608 N HA 0.001 0.864 4.740 -6.462 0.000 0.268 608 N C 0.243 175.821 175.510 0.113 0.000 1.190 608 N CA -0.086 53.047 53.050 0.139 0.000 0.897 608 N CB 1.278 39.864 38.487 0.164 0.000 1.515 608 N HN -0.113 nan 8.380 nan 0.000 0.567 609 E N 3.020 123.259 120.200 0.065 0.000 2.118 609 E HA -0.025 0.448 4.350 -6.462 0.000 0.195 609 E C 1.487 178.094 176.600 0.012 0.000 0.992 609 E CA 2.029 58.449 56.400 0.033 0.000 0.804 609 E CB 0.056 29.779 29.700 0.037 0.000 0.741 609 E HN 0.628 nan 8.360 nan 0.000 0.458 610 A N -0.142 122.693 122.820 0.025 0.000 2.067 610 A HA -0.143 0.301 4.320 -6.462 0.000 0.219 610 A C 1.878 179.469 177.584 0.013 0.000 1.158 610 A CA 1.856 53.903 52.037 0.017 0.000 0.661 610 A CB -0.403 18.612 19.000 0.025 0.000 0.801 610 A HN 0.377 nan 8.150 nan 0.000 0.452 611 D N -2.825 117.595 120.400 0.032 0.000 2.431 611 D HA 0.080 0.843 4.640 -6.462 0.000 0.227 611 D C -0.026 176.223 176.300 -0.085 0.000 1.030 611 D CA 0.591 54.614 54.000 0.039 0.000 0.897 611 D CB 0.550 41.446 40.800 0.161 0.000 1.058 611 D HN 0.222 nan 8.370 nan 0.000 0.500 612 C N 1.447 120.656 119.300 -0.152 0.000 2.781 612 C HA 0.813 1.396 4.460 -6.462 0.000 0.348 612 C C -0.412 174.405 174.990 -0.289 0.000 1.051 612 C CA -0.697 58.072 59.018 -0.415 0.000 1.347 612 C CB -0.482 26.722 27.740 -0.893 0.000 1.846 612 C HN 0.342 nan 8.230 nan 0.000 0.473 613 A N 4.819 127.543 122.820 -0.161 0.000 2.401 613 A HA 0.565 1.008 4.320 -6.462 0.000 0.259 613 A C 0.669 178.308 177.584 0.091 0.000 1.103 613 A CA 0.275 52.294 52.037 -0.030 0.000 0.789 613 A CB 0.204 19.188 19.000 -0.027 0.000 1.035 613 A HN 0.907 nan 8.150 nan 0.000 0.491 614 T N 1.798 116.435 114.554 0.138 0.000 2.934 614 T HA 0.278 0.751 4.350 -6.462 0.000 0.306 614 T C 0.189 175.065 174.700 0.293 0.000 1.042 614 T CA 0.152 62.405 62.100 0.256 0.000 1.145 614 T CB 0.218 69.200 68.868 0.190 0.000 0.982 614 T HN 0.421 nan 8.240 nan 0.000 0.544 615 V N 7.311 127.459 119.914 0.389 0.000 2.311 615 V HA 0.269 0.512 4.120 -6.462 0.000 0.275 615 V C -2.021 174.321 176.094 0.413 0.000 1.022 615 V CA -1.940 60.590 62.300 0.384 0.000 0.830 615 V CB 0.694 32.758 31.823 0.402 0.000 1.012 615 V HN 0.713 nan 8.190 nan 0.000 0.452 616 P HA 0.264 nan 4.420 nan 0.000 0.272 616 P C -2.655 174.415 177.300 -0.383 0.000 1.230 616 P CA -1.482 61.617 63.100 -0.001 0.000 0.788 616 P CB -0.112 31.576 31.700 -0.020 0.000 0.949 617 P HA 0.216 nan 4.420 nan 0.000 0.266 617 P C -0.774 175.709 177.300 -1.363 0.000 1.195 617 P CA 0.659 62.447 63.100 -2.186 0.000 0.768 617 P CB 0.316 30.772 31.700 -2.073 0.000 0.838 618 A N 3.011 125.024 122.820 -1.345 0.000 2.504 618 A HA 0.646 1.090 4.320 -6.462 0.000 0.285 618 A C -0.680 176.680 177.584 -0.373 0.000 1.261 618 A CA -0.877 50.843 52.037 -0.528 0.000 0.741 618 A CB 0.584 19.453 19.000 -0.219 0.000 1.327 618 A HN 0.422 nan 8.150 nan 0.000 0.441 619 I N 1.194 121.687 120.570 -0.130 0.000 2.587 619 I HA 0.189 0.482 4.170 -6.462 0.000 0.284 619 I C 0.866 176.985 176.117 0.003 0.000 1.134 619 I CA 0.435 61.709 61.300 -0.043 0.000 1.410 619 I CB 0.298 38.295 38.000 -0.006 0.000 1.392 619 I HN 0.553 nan 8.210 nan 0.000 0.545 620 R N 6.384 126.919 120.500 0.058 0.000 2.272 620 R HA 0.458 0.921 4.340 -6.462 0.000 0.323 620 R C -0.996 175.329 176.300 0.042 0.000 1.002 620 R CA -0.189 55.971 56.100 0.100 0.000 0.900 620 R CB 0.794 31.280 30.300 0.309 0.000 1.151 620 R HN 0.844 nan 8.270 nan 0.000 0.507 621 S N 2.506 118.167 115.700 -0.065 0.000 2.556 621 S HA 0.500 1.093 4.470 -6.462 0.000 0.271 621 S C -1.216 173.288 174.600 -0.159 0.000 1.135 621 S CA -0.796 57.399 58.200 -0.009 0.000 0.858 621 S CB 1.231 64.467 63.200 0.059 0.000 1.114 621 S HN 0.411 nan 8.310 nan 0.000 0.468 622 Y N 0.000 120.342 120.300 0.069 0.000 2.660 622 Y HA 0.000 0.671 4.550 -6.464 0.000 0.201 622 Y CA 0.000 58.132 58.100 0.053 0.000 1.940 622 Y CB 0.000 38.481 38.460 0.035 0.000 1.050 622 Y HN 0.000 nan 8.280 nan 0.000 0.758