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 3ae6_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 0.000 174.667 174.600 0.112 0.000 1.055 10 S CA 0.000 58.278 58.200 0.130 0.000 1.107 10 S CB 0.000 63.246 63.200 0.077 0.000 0.593 11 T N 0.941 115.559 114.554 0.107 0.000 8.709 11 T HA -0.349 -2.404 4.350 -10.674 0.000 0.337 11 T C 1.396 176.112 174.700 0.026 0.000 1.937 11 T CA 2.149 64.287 62.100 0.062 0.000 2.878 11 T CB -1.004 67.885 68.868 0.035 0.000 2.537 11 T HN 0.688 nan 8.240 nan 0.000 1.198 12 Q N 0.733 120.536 119.800 0.005 0.000 2.167 12 Q HA 0.013 -2.051 4.340 -10.674 0.000 0.202 12 Q C 0.114 175.933 176.000 -0.302 0.000 0.970 12 Q CA 1.361 57.059 55.803 -0.174 0.000 0.855 12 Q CB -0.094 28.480 28.738 -0.274 0.000 0.911 12 Q HN 0.766 nan 8.270 nan 0.000 0.438 13 Y N 0.979 121.274 120.300 -0.008 0.000 2.335 13 Y HA 0.426 -1.428 4.550 -10.674 0.000 0.339 13 Y C -2.022 173.858 175.900 -0.033 0.000 0.987 13 Y CA -3.163 54.921 58.100 -0.026 0.000 1.140 13 Y CB 0.984 39.420 38.460 -0.041 0.000 1.173 13 Y HN 0.073 nan 8.280 nan 0.000 0.486 14 P HA 0.114 nan 4.420 nan 0.000 0.280 14 P C -0.811 176.477 177.300 -0.020 0.000 1.300 14 P CA -0.425 62.687 63.100 0.021 0.000 0.785 14 P CB 0.427 32.130 31.700 0.005 0.000 0.874 15 V N 2.515 122.422 119.914 -0.011 0.000 2.488 15 V HA 0.369 -1.916 4.120 -10.674 0.000 0.277 15 V C 0.020 176.082 176.094 -0.054 0.000 1.046 15 V CA -0.445 61.832 62.300 -0.038 0.000 0.986 15 V CB 1.090 32.907 31.823 -0.009 0.000 0.989 15 V HN 0.188 nan 8.190 nan 0.000 0.475 16 V N 4.285 124.148 119.914 -0.085 0.000 2.380 16 V HA 0.386 -1.899 4.120 -10.674 0.000 0.286 16 V C -0.722 175.340 176.094 -0.054 0.000 1.015 16 V CA -0.412 61.854 62.300 -0.057 0.000 0.834 16 V CB 1.299 33.133 31.823 0.019 0.000 1.009 16 V HN 0.958 nan 8.190 nan 0.000 0.428 17 D N 3.460 123.806 120.400 -0.090 0.000 2.264 17 D HA 0.406 -1.359 4.640 -10.674 0.000 0.250 17 D C -0.014 176.189 176.300 -0.161 0.000 1.113 17 D CA 0.080 54.049 54.000 -0.051 0.000 0.871 17 D CB 0.558 41.350 40.800 -0.014 0.000 1.167 17 D HN 0.501 nan 8.370 nan 0.000 0.447 18 H N 1.006 120.152 119.070 0.128 0.000 2.616 18 H HA 0.444 -1.404 4.556 -10.674 0.000 0.353 18 H C -0.502 174.859 175.328 0.055 0.000 1.170 18 H CA -0.555 55.575 56.048 0.136 0.000 1.212 18 H CB 1.881 31.853 29.762 0.349 0.000 1.653 18 H HN 0.397 nan 8.280 nan 0.000 0.537 19 E N 1.833 122.011 120.200 -0.037 0.000 2.218 19 E HA 0.397 -1.657 4.350 -10.674 0.000 0.263 19 E C -1.501 174.856 176.600 -0.405 0.000 0.879 19 E CA -0.315 56.020 56.400 -0.110 0.000 0.762 19 E CB 1.159 30.799 29.700 -0.102 0.000 1.166 19 E HN 0.303 nan 8.360 nan 0.000 0.415 20 F N 1.161 121.151 119.950 0.067 0.000 2.692 20 F HA 0.270 -1.607 4.527 -10.674 0.000 0.320 20 F C 0.977 176.811 175.800 0.057 0.000 1.123 20 F CA -0.751 57.284 58.000 0.059 0.000 0.961 20 F CB 1.496 40.521 39.000 0.042 0.000 1.383 20 F HN 0.379 nan 8.300 nan 0.000 0.483 21 D N 0.343 120.934 120.400 0.318 0.000 2.162 21 D HA 0.256 -1.509 4.640 -10.674 0.000 0.205 21 D C 0.011 176.395 176.300 0.139 0.000 0.964 21 D CA 1.129 55.275 54.000 0.243 0.000 0.847 21 D CB 0.351 41.378 40.800 0.379 0.000 0.988 21 D HN 0.422 nan 8.370 nan 0.000 0.480 22 A N -0.197 122.678 122.820 0.091 0.000 2.574 22 A HA 0.566 -1.519 4.320 -10.674 0.000 0.297 22 A C -1.293 176.230 177.584 -0.101 0.000 1.062 22 A CA -0.580 51.429 52.037 -0.047 0.000 0.686 22 A CB 1.750 20.640 19.000 -0.185 0.000 1.285 22 A HN -0.121 nan 8.150 nan 0.000 0.403 23 V N 1.346 121.188 119.914 -0.120 0.000 2.495 23 V HA 0.585 -1.700 4.120 -10.674 0.000 0.298 23 V C -0.443 175.557 176.094 -0.156 0.000 1.031 23 V CA -0.633 61.558 62.300 -0.181 0.000 0.871 23 V CB 1.509 33.232 31.823 -0.166 0.000 0.988 23 V HN 0.690 nan 8.190 nan 0.000 0.432 24 V N 5.079 124.888 119.914 -0.175 0.000 2.384 24 V HA 0.409 -1.875 4.120 -10.674 0.000 0.287 24 V C -0.139 175.887 176.094 -0.113 0.000 1.020 24 V CA -0.624 61.599 62.300 -0.128 0.000 0.850 24 V CB 1.870 33.623 31.823 -0.118 0.000 0.987 24 V HN 0.627 nan 8.190 nan 0.000 0.436 25 V N 4.228 124.086 119.914 -0.093 0.000 2.304 25 V HA 0.873 -1.411 4.120 -10.674 0.000 0.269 25 V C 0.617 176.671 176.094 -0.067 0.000 1.036 25 V CA 0.262 62.507 62.300 -0.092 0.000 0.840 25 V CB 0.498 32.257 31.823 -0.107 0.000 1.036 25 V HN 1.229 nan 8.190 nan 0.000 0.466 26 G N 3.632 112.404 108.800 -0.047 0.000 2.542 26 G HA2 0.408 -2.037 3.960 -10.674 0.000 0.391 26 G HA3 0.408 -2.037 3.960 -10.674 0.000 0.391 26 G C -0.164 174.740 174.900 0.008 0.000 1.551 26 G CA -0.102 44.984 45.100 -0.025 0.000 0.946 26 G HN 0.999 nan 8.290 nan 0.000 0.662 27 A N 0.863 123.686 122.820 0.005 0.000 2.431 27 A HA 0.722 -1.363 4.320 -10.674 0.000 0.239 27 A C 1.346 178.930 177.584 -0.000 0.000 1.230 27 A CA 1.116 53.160 52.037 0.012 0.000 0.928 27 A CB 0.270 19.235 19.000 -0.058 0.000 1.006 27 A HN 2.056 nan 8.150 nan 0.000 0.520 28 G N -0.960 107.848 108.800 0.014 0.000 2.353 28 G HA2 0.470 -1.974 3.960 -10.674 0.000 0.284 28 G HA3 0.470 -1.974 3.960 -10.674 0.000 0.284 28 G C 1.130 176.070 174.900 0.067 0.000 1.172 28 G CA 0.235 45.355 45.100 0.033 0.000 0.854 28 G HN 1.036 nan 8.290 nan 0.000 0.485 29 G N 2.517 111.368 108.800 0.085 0.000 2.985 29 G HA2 -0.303 -2.748 3.960 -10.674 0.000 0.362 29 G HA3 -0.303 -2.748 3.960 -10.674 0.000 0.362 29 G C 1.970 176.944 174.900 0.124 0.000 1.381 29 G CA 2.547 47.717 45.100 0.117 0.000 1.360 29 G HN 1.752 nan 8.290 nan 0.000 0.810 30 A N 0.167 123.052 122.820 0.107 0.000 1.873 30 A HA 0.104 -1.980 4.320 -10.674 0.000 0.218 30 A C 3.062 180.683 177.584 0.062 0.000 1.193 30 A CA 3.164 55.257 52.037 0.093 0.000 0.629 30 A CB -1.455 17.606 19.000 0.101 0.000 0.826 30 A HN 1.875 nan 8.150 nan 0.000 0.447 31 G N -0.521 108.311 108.800 0.054 0.000 2.476 31 G HA2 -0.184 -2.629 3.960 -10.674 0.000 0.218 31 G HA3 -0.184 -2.629 3.960 -10.674 0.000 0.218 31 G C 1.441 176.381 174.900 0.066 0.000 1.164 31 G CA 1.334 46.455 45.100 0.036 0.000 0.768 31 G HN 0.353 nan 8.290 nan 0.000 0.560 32 L N 0.500 121.805 121.223 0.137 0.000 1.970 32 L HA -0.007 -2.072 4.340 -10.674 0.000 0.212 32 L C 2.812 179.843 176.870 0.269 0.000 1.071 32 L CA 1.943 56.944 54.840 0.269 0.000 0.751 32 L CB -0.848 41.395 42.059 0.307 0.000 0.889 32 L HN 0.221 nan 8.230 nan 0.000 0.432 33 R N -0.379 120.220 120.500 0.166 0.000 2.159 33 R HA -0.112 -2.176 4.340 -10.674 0.000 0.237 33 R C 1.992 178.056 176.300 -0.394 0.000 1.131 33 R CA 1.484 57.501 56.100 -0.139 0.000 0.982 33 R CB -0.466 29.846 30.300 0.019 0.000 0.868 33 R HN 0.406 nan 8.270 nan 0.000 0.453 34 A N -0.390 122.316 122.820 -0.190 0.000 1.935 34 A HA 0.189 -1.896 4.320 -10.674 0.000 0.214 34 A C 2.264 179.710 177.584 -0.230 0.000 1.178 34 A CA 1.048 52.957 52.037 -0.213 0.000 0.640 34 A CB -0.714 18.206 19.000 -0.133 0.000 0.825 34 A HN 0.424 nan 8.150 nan 0.000 0.447 35 A N 0.204 122.947 122.820 -0.129 0.000 1.841 35 A HA 0.021 -2.064 4.320 -10.674 0.000 0.214 35 A C 2.008 179.549 177.584 -0.071 0.000 1.195 35 A CA 1.668 53.654 52.037 -0.085 0.000 0.611 35 A CB -0.964 18.046 19.000 0.017 0.000 0.835 35 A HN 1.049 nan 8.150 nan 0.000 0.443 36 F N 0.066 119.993 119.950 -0.037 0.000 2.456 36 F HA 0.264 -1.613 4.527 -10.674 0.000 0.298 36 F C 1.939 177.582 175.800 -0.261 0.000 1.104 36 F CA 0.616 58.551 58.000 -0.108 0.000 1.435 36 F CB -0.965 38.081 39.000 0.077 0.000 1.078 36 F HN 0.111 nan 8.300 nan 0.000 0.546 37 G N 1.780 110.055 108.800 -0.875 0.000 2.422 37 G HA2 -0.174 -2.619 3.960 -10.674 0.000 0.218 37 G HA3 -0.174 -2.619 3.960 -10.674 0.000 0.218 37 G C 1.695 176.402 174.900 -0.322 0.000 1.146 37 G CA 1.208 45.938 45.100 -0.617 0.000 0.769 37 G HN 0.471 nan 8.290 nan 0.000 0.547 38 L N 0.412 121.476 121.223 -0.265 0.000 2.044 38 L HA -0.023 -2.088 4.340 -10.674 0.000 0.205 38 L C 3.174 180.057 176.870 0.021 0.000 1.075 38 L CA 1.123 55.878 54.840 -0.141 0.000 0.747 38 L CB -0.313 41.611 42.059 -0.225 0.000 0.903 38 L HN 0.154 nan 8.230 nan 0.000 0.435 39 S N -0.694 114.970 115.700 -0.062 0.000 2.399 39 S HA -0.232 -2.167 4.470 -10.674 0.000 0.231 39 S C 1.826 176.347 174.600 -0.132 0.000 1.022 39 S CA 1.198 59.383 58.200 -0.024 0.000 0.983 39 S CB -0.193 63.016 63.200 0.016 0.000 0.803 39 S HN 0.385 nan 8.310 nan 0.000 0.480 40 E N 1.084 121.056 120.200 -0.379 0.000 2.110 40 E HA -0.080 -2.135 4.350 -10.674 0.000 0.193 40 E C 1.687 178.236 176.600 -0.085 0.000 0.988 40 E CA 0.890 57.072 56.400 -0.365 0.000 0.804 40 E CB -0.137 29.309 29.700 -0.424 0.000 0.745 40 E HN 0.498 nan 8.360 nan 0.000 0.458 41 A N 0.051 122.860 122.820 -0.018 0.000 2.259 41 A HA 0.241 -1.843 4.320 -10.674 0.000 0.208 41 A C 1.283 178.850 177.584 -0.029 0.000 1.201 41 A CA 0.786 52.855 52.037 0.054 0.000 0.824 41 A CB -0.406 18.707 19.000 0.190 0.000 0.838 41 A HN 0.382 nan 8.150 nan 0.000 0.485 42 G N -1.515 107.261 108.800 -0.040 0.000 2.248 42 G HA2 -0.223 -2.668 3.960 -10.674 0.000 0.252 42 G HA3 -0.223 -2.668 3.960 -10.674 0.000 0.252 42 G C -0.293 174.443 174.900 -0.273 0.000 1.085 42 G CA -0.070 44.949 45.100 -0.136 0.000 0.845 42 G HN 0.319 nan 8.290 nan 0.000 0.494 43 F N 0.091 120.027 119.950 -0.023 0.000 2.469 43 F HA 0.400 -1.476 4.527 -10.673 0.000 0.332 43 F C 0.850 176.663 175.800 0.021 0.000 1.103 43 F CA -0.937 57.057 58.000 -0.010 0.000 0.979 43 F CB 1.575 40.550 39.000 -0.040 0.000 1.137 43 F HN 0.116 nan 8.300 nan 0.000 0.463 44 N N 2.801 121.651 118.700 0.249 0.000 2.605 44 N HA 0.038 -1.627 4.740 -10.674 0.000 0.282 44 N C -0.942 174.760 175.510 0.320 0.000 1.206 44 N CA -0.069 53.135 53.050 0.256 0.000 1.074 44 N CB 0.184 38.801 38.487 0.217 0.000 1.434 44 N HN 0.552 nan 8.380 nan 0.000 0.506 45 T N 1.393 116.046 114.554 0.164 0.000 2.875 45 T HA 0.542 -1.512 4.350 -10.674 0.000 0.284 45 T C -0.170 174.366 174.700 -0.274 0.000 0.995 45 T CA -0.663 61.420 62.100 -0.028 0.000 1.060 45 T CB 1.772 70.591 68.868 -0.081 0.000 0.967 45 T HN 0.432 nan 8.240 nan 0.000 0.476 46 A N 1.289 123.780 122.820 -0.548 0.000 2.343 46 A HA 0.636 -1.448 4.320 -10.674 0.000 0.316 46 A C -0.241 177.068 177.584 -0.459 0.000 1.104 46 A CA -0.733 50.839 52.037 -0.775 0.000 0.768 46 A CB 0.826 18.891 19.000 -1.559 0.000 1.213 46 A HN 0.982 nan 8.150 nan 0.000 0.456 47 C N 3.096 122.169 119.300 -0.378 0.000 2.329 47 C HA 0.745 -1.200 4.460 -10.674 0.000 0.329 47 C C -0.428 174.519 174.990 -0.072 0.000 1.275 47 C CA -0.164 58.724 59.018 -0.216 0.000 1.726 47 C CB 0.013 27.637 27.740 -0.193 0.000 2.291 47 C HN 0.689 nan 8.230 nan 0.000 0.514 48 V N 5.531 125.390 119.914 -0.092 0.000 2.448 48 V HA 0.737 -1.547 4.120 -10.674 0.000 0.295 48 V C 0.171 176.255 176.094 -0.017 0.000 1.025 48 V CA -0.117 62.139 62.300 -0.073 0.000 0.859 48 V CB 1.693 33.397 31.823 -0.200 0.000 0.988 48 V HN 0.966 nan 8.190 nan 0.000 0.431 49 T N 3.321 117.908 114.554 0.055 0.000 3.032 49 T HA 0.346 -1.708 4.350 -10.674 0.000 0.312 49 T C 0.624 175.378 174.700 0.090 0.000 1.078 49 T CA -0.453 61.671 62.100 0.040 0.000 1.028 49 T CB 1.673 70.557 68.868 0.027 0.000 1.091 49 T HN 0.836 nan 8.240 nan 0.000 0.457 50 K N 3.774 124.195 120.400 0.035 0.000 2.228 50 K HA 0.230 -1.855 4.320 -10.674 0.000 0.202 50 K C 0.570 177.238 176.600 0.112 0.000 1.051 50 K CA 0.470 56.802 56.287 0.075 0.000 0.960 50 K CB -0.045 32.482 32.500 0.046 0.000 0.743 50 K HN 0.439 nan 8.250 nan 0.000 0.458 51 L N 0.398 121.683 121.223 0.103 0.000 2.416 51 L HA 0.348 -1.716 4.340 -10.674 0.000 0.263 51 L C -0.067 176.893 176.870 0.150 0.000 1.065 51 L CA -1.444 53.482 54.840 0.144 0.000 0.798 51 L CB 0.491 42.616 42.059 0.111 0.000 1.267 51 L HN -0.051 nan 8.230 nan 0.000 0.467 52 F N 1.900 121.865 119.950 0.024 0.000 2.412 52 F HA 0.272 -1.605 4.527 -10.674 0.000 0.348 52 F C -1.498 174.209 175.800 -0.156 0.000 1.102 52 F CA -1.725 56.238 58.000 -0.063 0.000 1.196 52 F CB 0.882 39.835 39.000 -0.079 0.000 1.144 52 F HN 0.258 nan 8.300 nan 0.000 0.541 53 P HA -0.264 nan 4.420 nan 0.000 0.222 53 P C 1.502 178.461 177.300 -0.568 0.000 1.157 53 P CA 2.600 65.203 63.100 -0.829 0.000 0.905 53 P CB -0.112 30.776 31.700 -1.354 0.000 0.792 54 T N -0.760 113.450 114.554 -0.572 0.000 2.867 54 T HA -0.083 -2.138 4.350 -10.674 0.000 0.268 54 T C 1.543 176.207 174.700 -0.060 0.000 1.057 54 T CA 0.962 62.886 62.100 -0.292 0.000 1.136 54 T CB -0.336 68.405 68.868 -0.212 0.000 0.874 54 T HN 0.091 nan 8.240 nan 0.000 0.466 55 R N 1.739 122.274 120.500 0.059 0.000 2.307 55 R HA 0.229 -1.836 4.340 -10.674 0.000 0.199 55 R C 1.202 177.536 176.300 0.057 0.000 1.000 55 R CA 0.014 56.167 56.100 0.088 0.000 1.023 55 R CB -0.781 29.607 30.300 0.147 0.000 0.908 55 R HN 0.259 nan 8.270 nan 0.000 0.473 56 S N 0.743 116.451 115.700 0.014 0.000 2.580 56 S HA -0.079 -2.013 4.470 -10.674 0.000 0.261 56 S C 1.146 175.791 174.600 0.075 0.000 1.366 56 S CA -0.158 58.064 58.200 0.038 0.000 0.996 56 S CB 0.493 63.693 63.200 0.000 0.000 0.902 56 S HN 0.463 nan 8.310 nan 0.000 0.566 57 H N 0.256 119.329 119.070 0.005 0.000 2.551 57 H HA 0.028 -1.820 4.556 -10.673 0.000 0.266 57 H C 2.120 177.454 175.328 0.011 0.000 0.977 57 H CA 1.285 57.335 56.048 0.004 0.000 1.163 57 H CB -0.012 29.738 29.762 -0.020 0.000 1.381 57 H HN 0.679 nan 8.280 nan 0.000 0.581 58 T N -2.325 112.320 114.554 0.151 0.000 3.051 58 T HA -0.101 -2.156 4.350 -10.674 0.000 0.269 58 T C 1.992 176.726 174.700 0.058 0.000 1.127 58 T CA 0.888 63.059 62.100 0.119 0.000 1.107 58 T CB -0.659 68.272 68.868 0.105 0.000 0.898 58 T HN 0.227 nan 8.240 nan 0.000 0.517 59 V N 1.215 121.141 119.914 0.020 0.000 2.626 59 V HA 0.214 -2.071 4.120 -10.674 0.000 0.252 59 V C 2.697 178.809 176.094 0.029 0.000 1.067 59 V CA 1.526 63.855 62.300 0.049 0.000 1.081 59 V CB -1.074 30.787 31.823 0.063 0.000 0.686 59 V HN 0.697 nan 8.190 nan 0.000 0.468 60 A N -0.313 122.431 122.820 -0.126 0.000 2.252 60 A HA 0.588 -1.496 4.320 -10.674 0.000 0.207 60 A C 1.111 178.651 177.584 -0.073 0.000 1.194 60 A CA 0.645 52.567 52.037 -0.192 0.000 0.809 60 A CB -0.611 18.061 19.000 -0.548 0.000 0.814 60 A HN 0.697 nan 8.150 nan 0.000 0.482 61 A N -0.897 121.932 122.820 0.015 0.000 2.354 61 A HA 0.573 -1.512 4.320 -10.674 0.000 0.269 61 A C 0.616 178.249 177.584 0.081 0.000 1.109 61 A CA -0.212 51.872 52.037 0.078 0.000 0.800 61 A CB 0.542 19.603 19.000 0.102 0.000 1.045 61 A HN 0.515 nan 8.150 nan 0.000 0.489 62 Q N 1.648 121.509 119.800 0.102 0.000 2.589 62 Q HA 0.130 -1.934 4.340 -10.674 0.000 0.216 62 Q C 2.031 178.116 176.000 0.142 0.000 0.774 62 Q CA 0.467 56.331 55.803 0.100 0.000 0.909 62 Q CB 0.025 28.813 28.738 0.083 0.000 1.283 62 Q HN 0.888 nan 8.270 nan 0.000 0.597 63 G N 0.892 109.818 108.800 0.209 0.000 2.739 63 G HA2 0.075 -2.370 3.960 -10.674 0.000 0.216 63 G HA3 0.075 -2.370 3.960 -10.674 0.000 0.216 63 G C 0.606 175.603 174.900 0.161 0.000 1.298 63 G CA 1.159 46.450 45.100 0.318 0.000 0.804 63 G HN 0.505 nan 8.290 nan 0.000 0.623 64 G N -1.975 106.824 108.800 -0.001 0.000 2.325 64 G HA2 0.383 -2.062 3.960 -10.674 0.000 0.295 64 G HA3 0.383 -2.062 3.960 -10.674 0.000 0.295 64 G C -1.931 172.949 174.900 -0.033 0.000 1.274 64 G CA -0.179 44.925 45.100 0.006 0.000 0.857 64 G HN 0.600 nan 8.290 nan 0.000 0.499 65 I N 1.603 122.192 120.570 0.032 0.000 2.468 65 I HA 0.366 -1.869 4.170 -10.674 0.000 0.285 65 I C -1.140 174.974 176.117 -0.006 0.000 1.039 65 I CA -0.841 60.485 61.300 0.043 0.000 1.074 65 I CB 1.453 39.539 38.000 0.143 0.000 1.228 65 I HN 0.387 nan 8.210 nan 0.000 0.436 66 N N 6.427 125.100 118.700 -0.046 0.000 2.470 66 N HA 0.534 -1.131 4.740 -10.674 0.000 0.268 66 N C -0.481 174.912 175.510 -0.196 0.000 1.136 66 N CA 0.059 53.037 53.050 -0.120 0.000 0.961 66 N CB 1.549 40.008 38.487 -0.047 0.000 1.067 66 N HN 0.640 nan 8.380 nan 0.000 0.468 67 A N 1.077 123.744 122.820 -0.256 0.000 2.465 67 A HA 0.637 -1.447 4.320 -10.674 0.000 0.292 67 A C -0.494 176.955 177.584 -0.226 0.000 1.041 67 A CA -0.811 51.079 52.037 -0.246 0.000 0.718 67 A CB 0.906 19.805 19.000 -0.168 0.000 1.266 67 A HN 0.548 nan 8.150 nan 0.000 0.403 68 A N 2.746 125.447 122.820 -0.199 0.000 3.037 68 A HA 0.487 -1.597 4.320 -10.674 0.000 0.272 68 A C 0.717 178.256 177.584 -0.075 0.000 1.723 68 A CA -0.151 51.824 52.037 -0.102 0.000 1.413 68 A CB -0.985 18.000 19.000 -0.025 0.000 1.112 68 A HN 0.879 nan 8.150 nan 0.000 0.606 69 L N 0.908 122.073 121.223 -0.097 0.000 2.395 69 L HA 0.126 -1.939 4.340 -10.674 0.000 0.218 69 L C 1.778 178.605 176.870 -0.072 0.000 1.130 69 L CA 0.858 55.642 54.840 -0.093 0.000 0.826 69 L CB -0.063 41.922 42.059 -0.122 0.000 0.941 69 L HN 0.808 nan 8.230 nan 0.000 0.451 70 G N 0.510 109.275 108.800 -0.058 0.000 2.256 70 G HA2 -0.283 -2.727 3.960 -10.674 0.000 0.272 70 G HA3 -0.283 -2.727 3.960 -10.674 0.000 0.272 70 G C 0.368 175.245 174.900 -0.038 0.000 1.076 70 G CA 0.410 45.486 45.100 -0.039 0.000 0.882 70 G HN 0.352 nan 8.290 nan 0.000 0.497 71 N N -0.839 117.830 118.700 -0.051 0.000 2.353 71 N HA 0.246 -1.418 4.740 -10.674 0.000 0.185 71 N C 2.002 177.477 175.510 -0.059 0.000 1.098 71 N CA 0.670 53.686 53.050 -0.057 0.000 0.872 71 N CB 0.047 38.487 38.487 -0.078 0.000 0.970 71 N HN 0.443 nan 8.380 nan 0.000 0.467 72 M N -0.376 119.193 119.600 -0.051 0.000 3.160 72 M HA 0.182 -1.743 4.480 -10.674 0.000 0.222 72 M C 0.633 176.915 176.300 -0.030 0.000 1.703 72 M CA 0.731 55.991 55.300 -0.068 0.000 1.354 72 M CB -0.583 31.956 32.600 -0.103 0.000 1.115 72 M HN 0.025 nan 8.290 nan 0.000 0.594 73 E N 1.497 121.712 120.200 0.024 0.000 2.285 73 E HA 0.357 -1.698 4.350 -10.674 0.000 0.254 73 E C -0.798 175.839 176.600 0.061 0.000 1.011 73 E CA -0.448 55.986 56.400 0.057 0.000 0.873 73 E CB 1.046 30.817 29.700 0.120 0.000 1.229 73 E HN 0.194 nan 8.360 nan 0.000 0.422 74 E N 0.969 121.215 120.200 0.076 0.000 2.344 74 E HA 0.223 -1.831 4.350 -10.674 0.000 0.270 74 E C -1.039 175.626 176.600 0.108 0.000 1.021 74 E CA -0.118 56.318 56.400 0.060 0.000 0.887 74 E CB 0.811 30.544 29.700 0.056 0.000 0.997 74 E HN 0.385 nan 8.360 nan 0.000 0.429 75 D N 2.142 122.524 120.400 -0.031 0.000 2.559 75 D HA 0.435 -1.329 4.640 -10.674 0.000 0.250 75 D C -1.518 174.458 176.300 -0.539 0.000 1.135 75 D CA -0.748 53.177 54.000 -0.126 0.000 0.955 75 D CB 1.339 42.135 40.800 -0.007 0.000 1.442 75 D HN 0.442 nan 8.370 nan 0.000 0.471 76 N N 1.119 119.302 118.700 -0.862 0.000 2.336 76 N HA 0.097 -1.568 4.740 -10.674 0.000 0.290 76 N C 0.777 175.952 175.510 -0.559 0.000 1.058 76 N CA -0.657 51.801 53.050 -0.986 0.000 0.865 76 N CB 1.034 38.364 38.487 -1.929 0.000 1.581 76 N HN 0.623 nan 8.380 nan 0.000 0.480 77 W N 4.102 125.214 121.300 -0.313 0.000 2.468 77 W HA 0.009 -1.736 4.660 -10.676 0.000 0.262 77 W C 0.521 177.031 176.519 -0.014 0.000 1.241 77 W CA 0.128 57.407 57.345 -0.109 0.000 1.232 77 W CB -0.318 29.088 29.460 -0.089 0.000 1.124 77 W HN 0.444 nan 8.180 nan 0.000 0.597 78 R N -0.508 119.537 120.500 -0.758 0.000 2.153 78 R HA -0.072 -2.137 4.340 -10.674 0.000 0.218 78 R C 1.995 178.279 176.300 -0.026 0.000 1.072 78 R CA 1.505 57.291 56.100 -0.523 0.000 0.990 78 R CB -0.577 29.299 30.300 -0.707 0.000 0.889 78 R HN 0.084 nan 8.270 nan 0.000 0.452 79 W N 0.151 121.232 121.300 -0.365 0.000 2.467 79 W HA -0.064 -1.809 4.660 -10.675 0.000 0.275 79 W C 1.940 178.489 176.519 0.049 0.000 1.239 79 W CA 0.467 57.612 57.345 -0.332 0.000 1.266 79 W CB -1.015 28.207 29.460 -0.397 0.000 1.112 79 W HN 0.309 nan 8.180 nan 0.000 0.576 80 H N -1.167 118.033 119.070 0.216 0.000 2.462 80 H HA -0.157 -2.005 4.556 -10.672 0.000 0.292 80 H C 2.048 177.514 175.328 0.230 0.000 1.049 80 H CA 1.362 57.532 56.048 0.203 0.000 1.334 80 H CB -0.279 29.594 29.762 0.185 0.000 1.404 80 H HN 0.074 nan 8.280 nan 0.000 0.544 81 F N 0.835 120.850 119.950 0.110 0.000 2.113 81 F HA -0.241 -2.118 4.527 -10.672 0.000 0.297 81 F C 2.399 178.240 175.800 0.069 0.000 1.103 81 F CA 1.651 59.688 58.000 0.062 0.000 1.248 81 F CB -0.969 38.091 39.000 0.100 0.000 0.999 81 F HN 0.129 nan 8.300 nan 0.000 0.475 82 Y N 1.370 121.677 120.300 0.011 0.000 2.128 82 Y HA -0.252 -2.104 4.550 -10.671 0.000 0.284 82 Y C 2.227 178.014 175.900 -0.188 0.000 1.154 82 Y CA 2.265 60.320 58.100 -0.075 0.000 1.149 82 Y CB -0.775 37.854 38.460 0.280 0.000 0.976 82 Y HN 0.119 nan 8.280 nan 0.000 0.505 83 D N -0.900 119.467 120.400 -0.056 0.000 2.178 83 D HA -0.126 -1.890 4.640 -10.674 0.000 0.202 83 D C 2.006 178.163 176.300 -0.237 0.000 0.974 83 D CA 1.793 55.727 54.000 -0.110 0.000 0.841 83 D CB -0.135 40.735 40.800 0.117 0.000 0.953 83 D HN 0.414 nan 8.370 nan 0.000 0.478 84 T N 0.482 114.852 114.554 -0.307 0.000 2.812 84 T HA -0.084 -2.139 4.350 -10.674 0.000 0.264 84 T C 2.072 176.517 174.700 -0.425 0.000 1.042 84 T CA 0.434 62.342 62.100 -0.320 0.000 1.140 84 T CB -0.244 68.421 68.868 -0.338 0.000 0.870 84 T HN -0.031 nan 8.240 nan 0.000 0.445 85 V N 1.236 120.770 119.914 -0.633 0.000 2.548 85 V HA -0.053 -2.338 4.120 -10.674 0.000 0.249 85 V C 2.427 177.891 176.094 -1.051 0.000 1.055 85 V CA 1.632 63.466 62.300 -0.777 0.000 1.065 85 V CB -0.385 30.882 31.823 -0.926 0.000 0.681 85 V HN 0.368 nan 8.190 nan 0.000 0.462 86 K N -0.227 119.548 120.400 -1.043 0.000 2.001 86 K HA -0.081 -2.166 4.320 -10.674 0.000 0.208 86 K C 2.098 178.338 176.600 -0.599 0.000 1.048 86 K CA 1.498 57.101 56.287 -1.139 0.000 0.932 86 K CB -0.723 31.252 32.500 -0.875 0.000 0.715 86 K HN 0.540 nan 8.250 nan 0.000 0.437 87 G N 0.684 109.293 108.800 -0.318 0.000 2.450 87 G HA2 -0.283 -2.727 3.960 -10.674 0.000 0.220 87 G HA3 -0.283 -2.727 3.960 -10.674 0.000 0.220 87 G C 1.410 176.217 174.900 -0.155 0.000 1.130 87 G CA 1.287 46.306 45.100 -0.135 0.000 0.760 87 G HN 0.510 nan 8.290 nan 0.000 0.557 88 S N -0.048 115.497 115.700 -0.257 0.000 2.595 88 S HA -0.026 -1.961 4.470 -10.674 0.000 0.235 88 S C 1.113 175.620 174.600 -0.156 0.000 0.974 88 S CA 1.060 59.142 58.200 -0.197 0.000 0.942 88 S CB -0.134 62.927 63.200 -0.232 0.000 0.766 88 S HN 0.340 nan 8.310 nan 0.000 0.536 89 D N 0.515 120.822 120.400 -0.155 0.000 2.751 89 D HA -0.203 -1.967 4.640 -10.674 0.000 0.233 89 D C -0.342 176.112 176.300 0.257 0.000 1.149 89 D CA 1.013 55.073 54.000 0.099 0.000 0.682 89 D CB -1.929 38.964 40.800 0.156 0.000 1.068 89 D HN 0.736 nan 8.370 nan 0.000 0.429 90 W N -2.414 118.840 121.300 -0.078 0.000 3.904 90 W HA -0.329 -2.079 4.660 -10.683 0.000 0.312 90 W C 1.371 177.857 176.519 -0.055 0.000 1.159 90 W CA 0.687 57.983 57.345 -0.081 0.000 0.704 90 W CB -2.014 27.381 29.460 -0.108 0.000 2.209 90 W HN 0.320 nan 8.180 nan 0.000 1.468 91 L N 0.174 121.427 121.223 0.050 0.000 2.585 91 L HA 0.376 -1.688 4.340 -10.674 0.000 0.226 91 L C 1.628 178.517 176.870 0.033 0.000 1.113 91 L CA 1.302 56.138 54.840 -0.006 0.000 0.876 91 L CB -0.097 41.896 42.059 -0.110 0.000 1.072 91 L HN -0.048 nan 8.230 nan 0.000 0.468 92 G N -0.271 108.516 108.800 -0.022 0.000 2.403 92 G HA2 0.155 -2.290 3.960 -10.674 0.000 0.259 92 G HA3 0.155 -2.290 3.960 -10.674 0.000 0.259 92 G C -0.849 174.086 174.900 0.058 0.000 1.244 92 G CA -0.504 44.590 45.100 -0.011 0.000 0.849 92 G HN 0.108 nan 8.290 nan 0.000 0.532 93 D N 2.079 122.548 120.400 0.115 0.000 2.338 93 D HA 0.065 -1.699 4.640 -10.674 0.000 0.255 93 D C 1.416 177.804 176.300 0.146 0.000 1.237 93 D CA 0.156 54.249 54.000 0.154 0.000 0.883 93 D CB 1.514 42.412 40.800 0.164 0.000 1.087 93 D HN 0.496 nan 8.370 nan 0.000 0.485 94 Q N 1.353 121.261 119.800 0.180 0.000 2.369 94 Q HA -0.123 -2.188 4.340 -10.674 0.000 0.206 94 Q C 1.295 177.510 176.000 0.357 0.000 0.963 94 Q CA 0.734 56.706 55.803 0.282 0.000 0.894 94 Q CB 0.255 29.194 28.738 0.336 0.000 0.965 94 Q HN 0.527 nan 8.270 nan 0.000 0.475 95 D N 0.787 121.323 120.400 0.227 0.000 2.117 95 D HA -0.137 -1.901 4.640 -10.674 0.000 0.198 95 D C 1.713 178.115 176.300 0.170 0.000 0.982 95 D CA 1.372 55.446 54.000 0.124 0.000 0.828 95 D CB -0.200 40.609 40.800 0.015 0.000 0.967 95 D HN 0.146 nan 8.370 nan 0.000 0.464 96 A N 0.835 123.807 122.820 0.254 0.000 1.929 96 A HA 0.021 -2.063 4.320 -10.674 0.000 0.216 96 A C 2.560 180.422 177.584 0.464 0.000 1.176 96 A CA 0.971 53.244 52.037 0.392 0.000 0.628 96 A CB -0.717 18.437 19.000 0.256 0.000 0.816 96 A HN 0.275 nan 8.150 nan 0.000 0.444 97 I N -1.278 119.506 120.570 0.356 0.000 2.226 97 I HA -0.274 -2.509 4.170 -10.674 0.000 0.245 97 I C 2.437 178.878 176.117 0.540 0.000 1.100 97 I CA 1.763 63.273 61.300 0.350 0.000 1.374 97 I CB -0.646 37.462 38.000 0.180 0.000 1.057 97 I HN 0.588 nan 8.210 nan 0.000 0.413 98 H N 0.149 119.501 119.070 0.470 0.000 2.265 98 H HA -0.329 -2.178 4.556 -10.675 0.000 0.295 98 H C 2.389 177.847 175.328 0.217 0.000 1.084 98 H CA 2.229 58.464 56.048 0.311 0.000 1.261 98 H CB -0.209 29.621 29.762 0.114 0.000 1.360 98 H HN 0.327 nan 8.280 nan 0.000 0.487 99 Y N 0.330 120.788 120.300 0.262 0.000 2.207 99 Y HA -0.280 -2.135 4.550 -10.674 0.000 0.287 99 Y C 2.779 178.668 175.900 -0.019 0.000 1.156 99 Y CA 1.957 60.098 58.100 0.068 0.000 1.182 99 Y CB -0.173 38.336 38.460 0.082 0.000 0.979 99 Y HN 0.307 nan 8.280 nan 0.000 0.521 100 M N -0.671 119.055 119.600 0.210 0.000 2.200 100 M HA -0.140 -2.065 4.480 -10.674 0.000 0.265 100 M C 2.058 178.398 176.300 0.066 0.000 1.066 100 M CA 2.092 57.424 55.300 0.054 0.000 1.127 100 M CB -0.230 32.503 32.600 0.221 0.000 1.379 100 M HN 0.451 nan 8.290 nan 0.000 0.420 101 T N -2.816 111.855 114.554 0.196 0.000 2.985 101 T HA -0.089 -2.144 4.350 -10.674 0.000 0.266 101 T C 1.519 176.259 174.700 0.066 0.000 1.076 101 T CA 1.244 63.546 62.100 0.337 0.000 1.135 101 T CB -0.268 68.936 68.868 0.560 0.000 0.890 101 T HN 0.538 nan 8.240 nan 0.000 0.480 102 E N 0.697 120.687 120.200 -0.350 0.000 2.072 102 E HA -0.121 -2.175 4.350 -10.674 0.000 0.190 102 E C 2.275 178.466 176.600 -0.681 0.000 0.982 102 E CA 0.642 56.398 56.400 -1.074 0.000 0.803 102 E CB -0.061 28.997 29.700 -1.070 0.000 0.755 102 E HN 0.423 nan 8.360 nan 0.000 0.453 103 Q N -0.001 119.497 119.800 -0.503 0.000 2.472 103 Q HA 0.078 -1.986 4.340 -10.674 0.000 0.208 103 Q C 1.416 177.252 176.000 -0.272 0.000 0.958 103 Q CA 0.848 56.398 55.803 -0.422 0.000 0.932 103 Q CB -0.018 28.414 28.738 -0.510 0.000 1.007 103 Q HN 0.359 nan 8.270 nan 0.000 0.508 104 A N 1.617 124.318 122.820 -0.198 0.000 1.851 104 A HA -0.134 -2.219 4.320 -10.674 0.000 0.216 104 A C -0.438 177.063 177.584 -0.139 0.000 1.195 104 A CA 1.629 53.603 52.037 -0.104 0.000 0.622 104 A CB -1.665 17.334 19.000 -0.001 0.000 0.831 104 A HN 0.464 nan 8.150 nan 0.000 0.444 105 P HA -0.042 nan 4.420 nan 0.000 0.219 105 P C 1.580 178.783 177.300 -0.162 0.000 1.150 105 P CA 1.771 64.777 63.100 -0.156 0.000 0.814 105 P CB -0.157 31.458 31.700 -0.142 0.000 0.787 106 A N 0.363 123.070 122.820 -0.188 0.000 1.877 106 A HA -0.141 -2.226 4.320 -10.674 0.000 0.216 106 A C 2.546 180.035 177.584 -0.159 0.000 1.186 106 A CA 2.185 54.117 52.037 -0.175 0.000 0.620 106 A CB -1.589 17.286 19.000 -0.207 0.000 0.822 106 A HN 0.163 nan 8.150 nan 0.000 0.443 107 S N -0.775 114.829 115.700 -0.161 0.000 2.402 107 S HA -0.081 -2.016 4.470 -10.674 0.000 0.229 107 S C 1.839 176.369 174.600 -0.116 0.000 1.021 107 S CA 1.309 59.425 58.200 -0.140 0.000 0.974 107 S CB -0.255 62.874 63.200 -0.119 0.000 0.800 107 S HN 0.340 nan 8.310 nan 0.000 0.484 108 V N 0.792 120.642 119.914 -0.106 0.000 2.407 108 V HA -0.052 -2.336 4.120 -10.674 0.000 0.245 108 V C 2.243 178.263 176.094 -0.124 0.000 1.041 108 V CA 1.044 63.290 62.300 -0.090 0.000 1.040 108 V CB -0.548 31.184 31.823 -0.151 0.000 0.671 108 V HN 0.306 nan 8.190 nan 0.000 0.455 109 V N 0.408 120.236 119.914 -0.143 0.000 2.332 109 V HA -0.321 -2.605 4.120 -10.674 0.000 0.248 109 V C 2.506 178.546 176.094 -0.088 0.000 1.055 109 V CA 2.458 64.688 62.300 -0.117 0.000 1.038 109 V CB -0.508 31.252 31.823 -0.105 0.000 0.651 109 V HN 0.742 nan 8.190 nan 0.000 0.450 110 E N 0.047 120.162 120.200 -0.142 0.000 2.049 110 E HA -0.269 -2.324 4.350 -10.674 0.000 0.198 110 E C 2.218 178.605 176.600 -0.355 0.000 1.007 110 E CA 1.882 58.128 56.400 -0.256 0.000 0.809 110 E CB -0.249 29.239 29.700 -0.354 0.000 0.749 110 E HN 0.569 nan 8.360 nan 0.000 0.450 111 L N 0.920 122.005 121.223 -0.230 0.000 2.083 111 L HA -0.168 -2.232 4.340 -10.674 0.000 0.209 111 L C 2.872 179.874 176.870 0.219 0.000 1.083 111 L CA 1.274 56.102 54.840 -0.020 0.000 0.752 111 L CB -0.387 41.764 42.059 0.153 0.000 0.899 111 L HN 0.260 nan 8.230 nan 0.000 0.433 112 E N 0.357 120.707 120.200 0.249 0.000 2.150 112 E HA -0.189 -2.243 4.350 -10.674 0.000 0.193 112 E C 1.689 178.405 176.600 0.192 0.000 0.985 112 E CA 1.037 57.612 56.400 0.292 0.000 0.814 112 E CB 0.021 29.807 29.700 0.144 0.000 0.752 112 E HN 0.485 nan 8.360 nan 0.000 0.466 113 N N -0.361 118.427 118.700 0.148 0.000 2.331 113 N HA -0.091 -1.756 4.740 -10.674 0.000 0.180 113 N C 1.612 177.297 175.510 0.291 0.000 1.019 113 N CA 0.651 53.806 53.050 0.174 0.000 0.881 113 N CB -0.489 38.083 38.487 0.143 0.000 0.972 113 N HN 0.364 nan 8.380 nan 0.000 0.435 114 Y N -0.459 119.890 120.300 0.082 0.000 2.293 114 Y HA -0.024 -1.879 4.550 -10.674 0.000 0.291 114 Y C 1.603 177.522 175.900 0.033 0.000 1.137 114 Y CA 0.546 58.679 58.100 0.057 0.000 1.202 114 Y CB 0.302 38.807 38.460 0.075 0.000 0.990 114 Y HN 0.230 nan 8.280 nan 0.000 0.537 115 G N -0.395 108.536 108.800 0.218 0.000 2.507 115 G HA2 -0.180 -2.625 3.960 -10.674 0.000 0.205 115 G HA3 -0.180 -2.625 3.960 -10.674 0.000 0.205 115 G C -0.082 174.875 174.900 0.095 0.000 0.996 115 G CA -0.510 44.662 45.100 0.121 0.000 0.776 115 G HN 0.118 nan 8.290 nan 0.000 0.532 116 M N 3.095 122.764 119.600 0.114 0.000 2.292 116 M HA 0.339 -1.586 4.480 -10.674 0.000 0.342 116 M C -1.703 174.580 176.300 -0.029 0.000 1.538 116 M CA -1.540 53.740 55.300 -0.034 0.000 1.163 116 M CB 0.708 33.209 32.600 -0.165 0.000 1.823 116 M HN -0.056 nan 8.290 nan 0.000 0.462 117 P HA 0.045 nan 4.420 nan 0.000 0.225 117 P C -0.843 176.462 177.300 0.007 0.000 1.768 117 P CA -0.007 63.099 63.100 0.011 0.000 0.943 117 P CB -0.878 30.820 31.700 -0.002 0.000 1.936 118 F N 0.446 120.428 119.950 0.053 0.000 2.642 118 F HA -0.084 -1.962 4.527 -10.675 0.000 0.371 118 F C 1.739 177.570 175.800 0.052 0.000 1.120 118 F CA 0.892 58.928 58.000 0.060 0.000 1.331 118 F CB -0.091 38.949 39.000 0.067 0.000 1.044 118 F HN 0.071 nan 8.300 nan 0.000 0.594 119 S N 3.271 119.113 115.700 0.236 0.000 2.576 119 S HA 0.274 -1.661 4.470 -10.674 0.000 0.272 119 S C 0.218 174.930 174.600 0.186 0.000 1.352 119 S CA -0.639 57.629 58.200 0.113 0.000 1.021 119 S CB 0.398 63.569 63.200 -0.049 0.000 0.887 119 S HN 0.326 nan 8.310 nan 0.000 0.542 120 R N 0.990 121.556 120.500 0.110 0.000 2.803 120 R HA 0.512 -1.552 4.340 -10.674 0.000 0.276 120 R C 0.240 176.646 176.300 0.176 0.000 0.978 120 R CA -0.661 55.525 56.100 0.142 0.000 0.939 120 R CB 1.144 31.498 30.300 0.089 0.000 1.179 120 R HN 0.807 nan 8.270 nan 0.000 0.472 121 T N -2.586 112.071 114.554 0.172 0.000 2.884 121 T HA 0.142 -1.913 4.350 -10.674 0.000 0.277 121 T C 1.178 175.931 174.700 0.088 0.000 0.976 121 T CA -0.582 61.615 62.100 0.161 0.000 0.956 121 T CB 1.206 70.138 68.868 0.105 0.000 1.113 121 T HN 0.517 nan 8.240 nan 0.000 0.554 122 E N 0.257 120.499 120.200 0.070 0.000 2.085 122 E HA -0.168 -2.223 4.350 -10.674 0.000 0.194 122 E C 1.601 178.219 176.600 0.031 0.000 0.994 122 E CA 1.680 58.106 56.400 0.043 0.000 0.801 122 E CB -0.673 29.047 29.700 0.033 0.000 0.743 122 E HN 0.782 nan 8.360 nan 0.000 0.453 123 D N -1.548 118.868 120.400 0.027 0.000 2.219 123 D HA -0.019 -1.784 4.640 -10.674 0.000 0.205 123 D C 1.014 177.326 176.300 0.020 0.000 0.970 123 D CA 1.715 55.725 54.000 0.017 0.000 0.851 123 D CB -0.019 40.787 40.800 0.009 0.000 0.943 123 D HN 0.374 nan 8.370 nan 0.000 0.488 124 G N -0.426 108.393 108.800 0.030 0.000 2.154 124 G HA2 -0.226 -2.671 3.960 -10.674 0.000 0.186 124 G HA3 -0.226 -2.671 3.960 -10.674 0.000 0.186 124 G C 0.343 175.262 174.900 0.031 0.000 1.000 124 G CA 0.045 45.164 45.100 0.032 0.000 0.664 124 G HN 0.340 nan 8.290 nan 0.000 0.513 125 K N -0.494 119.923 120.400 0.027 0.000 2.419 125 K HA 0.694 -1.390 4.320 -10.674 0.000 0.246 125 K C 0.794 177.409 176.600 0.025 0.000 1.037 125 K CA -1.004 55.288 56.287 0.008 0.000 0.982 125 K CB 1.130 33.621 32.500 -0.016 0.000 1.283 125 K HN 0.133 nan 8.250 nan 0.000 0.500 126 I N 1.687 122.239 120.570 -0.031 0.000 2.710 126 I HA -0.118 -2.353 4.170 -10.674 0.000 0.286 126 I C -0.164 175.977 176.117 0.039 0.000 1.181 126 I CA 0.182 61.455 61.300 -0.046 0.000 1.430 126 I CB 0.136 37.955 38.000 -0.301 0.000 1.367 126 I HN 0.429 nan 8.210 nan 0.000 0.577 127 Y N 7.044 127.356 120.300 0.021 0.000 2.486 127 Y HA 0.182 -1.673 4.550 -10.674 0.000 0.348 127 Y C -0.095 175.837 175.900 0.053 0.000 1.000 127 Y CA -0.223 57.905 58.100 0.047 0.000 1.253 127 Y CB 0.246 38.756 38.460 0.082 0.000 1.140 127 Y HN 0.486 nan 8.280 nan 0.000 0.526 128 Q N 5.267 124.853 119.800 -0.356 0.000 2.235 128 Q HA 0.566 -1.498 4.340 -10.674 0.000 0.256 128 Q C -0.866 174.899 176.000 -0.391 0.000 0.951 128 Q CA -1.137 54.522 55.803 -0.240 0.000 0.890 128 Q CB 2.221 30.881 28.738 -0.131 0.000 1.279 128 Q HN 0.588 nan 8.270 nan 0.000 0.444 129 R N 0.160 120.611 120.500 -0.081 0.000 2.836 129 R HA 0.643 -1.422 4.340 -10.674 0.000 0.269 129 R C -1.516 174.903 176.300 0.200 0.000 1.010 129 R CA -0.453 55.680 56.100 0.055 0.000 0.930 129 R CB 1.591 32.009 30.300 0.196 0.000 1.218 129 R HN 0.765 nan 8.270 nan 0.000 0.473 130 A N 1.818 124.790 122.820 0.253 0.000 2.483 130 A HA 0.448 -1.637 4.320 -10.674 0.000 0.238 130 A C -0.906 176.814 177.584 0.228 0.000 1.070 130 A CA 0.625 52.751 52.037 0.148 0.000 0.770 130 A CB -0.100 18.963 19.000 0.104 0.000 1.008 130 A HN 0.511 nan 8.150 nan 0.000 0.497 131 F N -0.775 119.169 119.950 -0.011 0.000 2.713 131 F HA 0.529 -1.350 4.527 -10.676 0.000 0.311 131 F C 0.720 176.498 175.800 -0.037 0.000 1.141 131 F CA 0.036 58.033 58.000 -0.004 0.000 0.939 131 F CB 1.487 40.497 39.000 0.017 0.000 1.325 131 F HN 0.820 nan 8.300 nan 0.000 0.453 132 G N 1.048 109.827 108.800 -0.034 0.000 2.299 132 G HA2 0.413 -2.031 3.960 -10.674 0.000 0.256 132 G HA3 0.413 -2.031 3.960 -10.674 0.000 0.256 132 G C 0.768 175.652 174.900 -0.027 0.000 1.259 132 G CA 0.550 45.599 45.100 -0.085 0.000 0.943 132 G HN 1.725 nan 8.290 nan 0.000 0.479 133 G N 1.489 110.226 108.800 -0.105 0.000 2.159 133 G HA2 -0.223 -2.667 3.960 -10.674 0.000 0.227 133 G HA3 -0.223 -2.667 3.960 -10.674 0.000 0.227 133 G C 0.277 175.260 174.900 0.138 0.000 0.986 133 G CA 0.363 45.387 45.100 -0.127 0.000 0.651 133 G HN 0.844 nan 8.290 nan 0.000 0.523 134 Q N 0.285 120.162 119.800 0.129 0.000 2.266 134 Q HA 0.706 -1.358 4.340 -10.674 0.000 0.261 134 Q C 0.189 176.253 176.000 0.106 0.000 0.985 134 Q CA 0.088 55.978 55.803 0.146 0.000 0.873 134 Q CB 1.937 30.760 28.738 0.141 0.000 1.306 134 Q HN 0.672 nan 8.270 nan 0.000 0.447 135 S N 1.190 116.955 115.700 0.108 0.000 2.685 135 S HA 0.739 -1.195 4.470 -10.674 0.000 0.282 135 S C -1.158 173.407 174.600 -0.057 0.000 1.159 135 S CA -0.883 57.332 58.200 0.024 0.000 0.833 135 S CB 0.946 64.178 63.200 0.053 0.000 1.151 135 S HN 0.472 nan 8.310 nan 0.000 0.485 136 L N 0.909 121.998 121.223 -0.223 0.000 2.333 136 L HA 0.621 -1.444 4.340 -10.674 0.000 0.269 136 L C -0.127 176.151 176.870 -0.986 0.000 1.010 136 L CA -1.138 53.376 54.840 -0.543 0.000 0.818 136 L CB 1.325 43.169 42.059 -0.358 0.000 1.306 136 L HN 0.966 nan 8.230 nan 0.000 0.430 137 K N 2.577 121.669 120.400 -2.180 0.000 3.148 137 K HA -0.236 -2.320 4.320 -10.674 0.000 0.267 137 K C -0.649 175.442 176.600 -0.848 0.000 0.996 137 K CA 0.456 55.756 56.287 -1.645 0.000 0.737 137 K CB -1.371 30.679 32.500 -0.750 0.000 1.308 137 K HN 0.559 nan 8.250 nan 0.000 0.470 138 F N -1.200 118.178 119.950 -0.953 0.000 3.074 138 F HA -0.267 -2.145 4.527 -10.675 0.000 0.287 138 F C 1.171 176.461 175.800 -0.851 0.000 0.932 138 F CA 1.343 58.922 58.000 -0.701 0.000 0.995 138 F CB -1.957 36.707 39.000 -0.560 0.000 0.966 138 F HN 0.582 nan 8.300 nan 0.000 0.721 139 G N -0.157 108.432 108.800 -0.350 0.000 2.182 139 G HA2 -0.297 -2.741 3.960 -10.674 0.000 0.248 139 G HA3 -0.297 -2.741 3.960 -10.674 0.000 0.248 139 G C 0.680 175.492 174.900 -0.148 0.000 1.042 139 G CA 0.302 45.326 45.100 -0.125 0.000 0.775 139 G HN 0.425 nan 8.290 nan 0.000 0.501 140 K N -0.709 119.564 120.400 -0.212 0.000 2.553 140 K HA 0.298 -1.787 4.320 -10.674 0.000 0.205 140 K C 1.209 177.712 176.600 -0.163 0.000 1.168 140 K CA 0.490 56.681 56.287 -0.159 0.000 1.043 140 K CB 1.548 33.958 32.500 -0.150 0.000 0.967 140 K HN 0.708 nan 8.250 nan 0.000 0.585 141 G N 0.649 109.324 108.800 -0.209 0.000 4.885 141 G HA2 0.461 -1.983 3.960 -10.674 0.000 0.263 141 G HA3 0.461 -1.983 3.960 -10.674 0.000 0.263 141 G C 0.402 175.220 174.900 -0.136 0.000 1.168 141 G CA 0.110 45.098 45.100 -0.187 0.000 0.906 141 G HN 0.300 nan 8.290 nan 0.000 0.575 142 G N 0.284 109.031 108.800 -0.088 0.000 2.693 142 G HA2 -0.002 -2.447 3.960 -10.674 0.000 0.226 142 G HA3 -0.002 -2.447 3.960 -10.674 0.000 0.226 142 G C -0.153 174.711 174.900 -0.060 0.000 1.354 142 G CA -0.125 44.946 45.100 -0.048 0.000 0.873 142 G HN 0.864 nan 8.290 nan 0.000 0.562 143 Q N 0.259 120.023 119.800 -0.060 0.000 2.314 143 Q HA 0.660 -1.405 4.340 -10.674 0.000 0.258 143 Q C 0.448 176.260 176.000 -0.313 0.000 0.954 143 Q CA 0.747 56.462 55.803 -0.146 0.000 0.890 143 Q CB 1.026 29.676 28.738 -0.145 0.000 1.210 143 Q HN 1.714 nan 8.270 nan 0.000 0.410 144 A N 4.028 126.682 122.820 -0.277 0.000 2.310 144 A HA 0.497 -1.587 4.320 -10.674 0.000 0.299 144 A C -1.256 176.077 177.584 -0.418 0.000 1.147 144 A CA -0.496 51.399 52.037 -0.236 0.000 0.818 144 A CB 0.265 19.257 19.000 -0.013 0.000 1.096 144 A HN 0.934 nan 8.150 nan 0.000 0.495 145 H N 1.048 120.142 119.070 0.040 0.000 2.645 145 H HA 0.451 -1.397 4.556 -10.673 0.000 0.257 145 H C 0.541 175.853 175.328 -0.026 0.000 1.269 145 H CA -0.329 55.721 56.048 0.003 0.000 1.409 145 H CB 0.521 30.262 29.762 -0.036 0.000 1.434 145 H HN 0.720 nan 8.280 nan 0.000 0.505 146 R N 0.083 120.609 120.500 0.044 0.000 2.549 146 R HA 0.235 -1.829 4.340 -10.674 0.000 0.399 146 R C -0.506 175.760 176.300 -0.057 0.000 0.964 146 R CA -0.277 55.808 56.100 -0.026 0.000 1.173 146 R CB -0.341 29.925 30.300 -0.057 0.000 1.535 146 R HN 0.354 nan 8.270 nan 0.000 0.551 147 C N 3.285 122.580 119.300 -0.008 0.000 2.345 147 C HA 0.428 -1.516 4.460 -10.674 0.000 0.349 147 C C 0.709 175.720 174.990 0.036 0.000 1.130 147 C CA -0.723 58.283 59.018 -0.020 0.000 1.574 147 C CB -1.588 26.155 27.740 0.005 0.000 2.108 147 C HN 0.666 nan 8.230 nan 0.000 0.516 148 C N 5.727 125.041 119.300 0.023 0.000 2.648 148 C HA 0.480 -1.465 4.460 -10.674 0.000 0.415 148 C C 0.895 176.069 174.990 0.307 0.000 1.366 148 C CA -0.584 58.497 59.018 0.106 0.000 1.756 148 C CB -2.296 25.410 27.740 -0.056 0.000 2.549 148 C HN 0.991 nan 8.230 nan 0.000 0.597 149 C N 1.519 121.079 119.300 0.433 0.000 2.994 149 C HA 0.740 -1.204 4.460 -10.674 0.000 0.305 149 C C -0.360 174.821 174.990 0.318 0.000 1.251 149 C CA -0.672 58.561 59.018 0.358 0.000 1.478 149 C CB 0.486 28.400 27.740 0.289 0.000 1.922 149 C HN 0.622 nan 8.230 nan 0.000 0.472 150 V N 2.867 122.843 119.914 0.103 0.000 2.306 150 V HA 0.522 -1.762 4.120 -10.674 0.000 0.286 150 V C 1.286 177.388 176.094 0.013 0.000 1.404 150 V CA 0.789 63.090 62.300 0.001 0.000 1.467 150 V CB -0.580 31.157 31.823 -0.142 0.000 1.459 150 V HN 2.020 nan 8.190 nan 0.000 0.518 151 A N 2.474 125.311 122.820 0.028 0.000 2.046 151 A HA -0.232 -2.316 4.320 -10.674 0.000 0.265 151 A C 1.278 178.866 177.584 0.006 0.000 1.343 151 A CA 1.134 53.163 52.037 -0.013 0.000 0.749 151 A CB -1.521 17.437 19.000 -0.070 0.000 1.171 151 A HN 1.190 nan 8.150 nan 0.000 0.316 152 D N -1.794 118.636 120.400 0.050 0.000 2.792 152 D HA -0.209 -1.973 4.640 -10.674 0.000 0.192 152 D C 0.510 176.829 176.300 0.032 0.000 1.007 152 D CA 2.312 56.342 54.000 0.050 0.000 1.020 152 D CB -0.791 40.023 40.800 0.024 0.000 1.089 152 D HN 0.920 nan 8.370 nan 0.000 0.438 153 R N -0.518 119.993 120.500 0.018 0.000 2.834 153 R HA 0.315 -1.749 4.340 -10.674 0.000 0.362 153 R C 0.974 177.302 176.300 0.046 0.000 1.147 153 R CA 0.480 56.590 56.100 0.017 0.000 1.125 153 R CB 0.451 30.716 30.300 -0.060 0.000 1.361 153 R HN 0.080 nan 8.270 nan 0.000 0.598 154 T N -1.254 113.329 114.554 0.048 0.000 2.770 154 T HA -0.088 -2.142 4.350 -10.674 0.000 0.263 154 T C 1.937 176.656 174.700 0.031 0.000 1.039 154 T CA 1.549 63.660 62.100 0.018 0.000 1.142 154 T CB 0.000 68.903 68.868 0.057 0.000 0.868 154 T HN 0.531 nan 8.240 nan 0.000 0.435 155 G N 1.265 110.109 108.800 0.073 0.000 2.421 155 G HA2 -0.295 -2.739 3.960 -10.674 0.000 0.216 155 G HA3 -0.295 -2.739 3.960 -10.674 0.000 0.216 155 G C 1.387 176.348 174.900 0.100 0.000 1.171 155 G CA 0.886 46.035 45.100 0.083 0.000 0.775 155 G HN 0.587 nan 8.290 nan 0.000 0.543 156 H N 0.886 119.977 119.070 0.034 0.000 2.265 156 H HA -0.124 -1.973 4.556 -10.674 0.000 0.295 156 H C 2.637 178.021 175.328 0.095 0.000 1.084 156 H CA 1.984 58.074 56.048 0.071 0.000 1.261 156 H CB -0.542 29.229 29.762 0.014 0.000 1.360 156 H HN 0.319 nan 8.280 nan 0.000 0.487 157 S N -0.028 115.744 115.700 0.120 0.000 2.399 157 S HA -0.113 -2.047 4.470 -10.674 0.000 0.231 157 S C 2.281 176.869 174.600 -0.019 0.000 1.022 157 S CA 1.006 59.217 58.200 0.018 0.000 0.983 157 S CB -0.421 62.757 63.200 -0.036 0.000 0.803 157 S HN 0.373 nan 8.310 nan 0.000 0.480 158 L N 1.275 122.491 121.223 -0.012 0.000 1.961 158 L HA -0.007 -2.072 4.340 -10.674 0.000 0.210 158 L C 2.141 179.047 176.870 0.060 0.000 1.072 158 L CA 1.744 56.596 54.840 0.020 0.000 0.749 158 L CB -0.825 41.260 42.059 0.043 0.000 0.889 158 L HN 0.356 nan 8.230 nan 0.000 0.432 159 L N -0.716 120.534 121.223 0.046 0.000 2.079 159 L HA -0.260 -2.324 4.340 -10.674 0.000 0.210 159 L C 2.566 179.432 176.870 -0.006 0.000 1.081 159 L CA 1.880 56.731 54.840 0.019 0.000 0.752 159 L CB -1.059 40.986 42.059 -0.024 0.000 0.896 159 L HN 0.452 nan 8.230 nan 0.000 0.433 160 H N -1.072 117.945 119.070 -0.089 0.000 2.299 160 H HA -0.089 -1.938 4.556 -10.674 0.000 0.302 160 H C 1.991 177.334 175.328 0.024 0.000 1.078 160 H CA 2.237 58.254 56.048 -0.051 0.000 1.323 160 H CB -0.205 29.451 29.762 -0.176 0.000 1.381 160 H HN 0.499 nan 8.280 nan 0.000 0.498 161 T N -0.773 113.857 114.554 0.128 0.000 3.035 161 T HA -0.022 -2.076 4.350 -10.674 0.000 0.268 161 T C 2.235 176.980 174.700 0.076 0.000 1.109 161 T CA 0.412 62.563 62.100 0.086 0.000 1.119 161 T CB -0.399 68.519 68.868 0.083 0.000 0.900 161 T HN 0.136 nan 8.240 nan 0.000 0.503 162 L N -1.007 120.283 121.223 0.111 0.000 2.095 162 L HA 0.110 -1.954 4.340 -10.674 0.000 0.204 162 L C 2.547 179.413 176.870 -0.006 0.000 1.080 162 L CA 1.216 56.131 54.840 0.125 0.000 0.759 162 L CB -0.450 41.750 42.059 0.235 0.000 0.914 162 L HN 0.236 nan 8.230 nan 0.000 0.439 163 Y N 0.578 120.814 120.300 -0.106 0.000 2.184 163 Y HA -0.105 -1.959 4.550 -10.674 0.000 0.290 163 Y C 2.284 178.068 175.900 -0.193 0.000 1.129 163 Y CA 1.450 59.442 58.100 -0.181 0.000 1.144 163 Y CB -0.708 37.598 38.460 -0.256 0.000 0.995 163 Y HN 0.060 nan 8.280 nan 0.000 0.513 164 G N 0.439 109.111 108.800 -0.213 0.000 2.450 164 G HA2 -0.263 -2.707 3.960 -10.674 0.000 0.220 164 G HA3 -0.263 -2.707 3.960 -10.674 0.000 0.220 164 G C 1.872 176.565 174.900 -0.345 0.000 1.130 164 G CA 0.743 45.681 45.100 -0.269 0.000 0.760 164 G HN 0.272 nan 8.290 nan 0.000 0.557 165 R N 0.681 120.957 120.500 -0.374 0.000 2.173 165 R HA 0.004 -2.060 4.340 -10.674 0.000 0.208 165 R C 2.864 178.800 176.300 -0.607 0.000 1.035 165 R CA 1.245 57.039 56.100 -0.510 0.000 1.004 165 R CB -0.280 29.628 30.300 -0.653 0.000 0.917 165 R HN 0.500 nan 8.270 nan 0.000 0.462 166 S N 0.224 115.572 115.700 -0.586 0.000 2.453 166 S HA -0.046 -1.980 4.470 -10.674 0.000 0.231 166 S C 1.883 176.386 174.600 -0.163 0.000 1.005 166 S CA 0.387 58.375 58.200 -0.354 0.000 0.949 166 S CB -0.124 63.010 63.200 -0.109 0.000 0.774 166 S HN 0.117 nan 8.310 nan 0.000 0.510 167 L N 1.673 122.678 121.223 -0.363 0.000 2.265 167 L HA 0.134 -1.930 4.340 -10.674 0.000 0.215 167 L C 2.632 179.360 176.870 -0.237 0.000 1.117 167 L CA 1.271 55.942 54.840 -0.282 0.000 0.782 167 L CB -1.429 40.416 42.059 -0.357 0.000 0.914 167 L HN 0.415 nan 8.230 nan 0.000 0.441 168 R N -1.545 118.713 120.500 -0.403 0.000 2.193 168 R HA -0.119 -2.184 4.340 -10.674 0.000 0.229 168 R C -0.154 175.795 176.300 -0.584 0.000 1.110 168 R CA 0.737 56.484 56.100 -0.588 0.000 0.988 168 R CB -0.005 29.735 30.300 -0.934 0.000 0.871 168 R HN 0.244 nan 8.270 nan 0.000 0.458 169 Y N -0.131 120.161 120.300 -0.014 0.000 2.487 169 Y HA 0.102 -1.752 4.550 -10.674 0.000 0.337 169 Y C 0.253 176.184 175.900 0.051 0.000 1.076 169 Y CA -1.659 56.463 58.100 0.037 0.000 1.115 169 Y CB 0.975 39.488 38.460 0.089 0.000 1.235 169 Y HN 0.035 nan 8.280 nan 0.000 0.468 170 D N -0.212 120.310 120.400 0.204 0.000 2.982 170 D HA 0.023 -1.741 4.640 -10.674 0.000 0.238 170 D C -0.442 175.919 176.300 0.102 0.000 1.168 170 D CA -0.224 53.853 54.000 0.128 0.000 0.947 170 D CB -1.028 39.833 40.800 0.102 0.000 1.147 170 D HN 0.290 nan 8.370 nan 0.000 0.450 171 T N -0.080 114.516 114.554 0.071 0.000 2.832 171 T HA 0.250 -1.804 4.350 -10.674 0.000 0.296 171 T C 0.350 174.908 174.700 -0.237 0.000 0.968 171 T CA -0.556 61.458 62.100 -0.143 0.000 1.107 171 T CB 1.125 69.782 68.868 -0.350 0.000 0.916 171 T HN 0.027 nan 8.240 nan 0.000 0.517 172 S N 2.855 118.407 115.700 -0.247 0.000 2.411 172 S HA 0.266 -1.669 4.470 -10.674 0.000 0.304 172 S C -0.584 173.789 174.600 -0.379 0.000 1.098 172 S CA -0.574 57.497 58.200 -0.215 0.000 1.068 172 S CB -0.384 62.802 63.200 -0.023 0.000 1.032 172 S HN 0.497 nan 8.310 nan 0.000 0.511 173 Y N 1.984 122.181 120.300 -0.172 0.000 2.365 173 Y HA 0.297 -1.558 4.550 -10.675 0.000 0.340 173 Y C 0.027 175.754 175.900 -0.289 0.000 1.016 173 Y CA -0.718 57.300 58.100 -0.137 0.000 1.196 173 Y CB 0.281 38.711 38.460 -0.050 0.000 1.167 173 Y HN 0.515 nan 8.280 nan 0.000 0.509 174 F N 3.289 123.128 119.950 -0.185 0.000 2.425 174 F HA 0.299 -1.578 4.527 -10.674 0.000 0.354 174 F C -0.195 175.571 175.800 -0.056 0.000 1.162 174 F CA -0.847 56.892 58.000 -0.435 0.000 1.250 174 F CB 0.020 38.441 39.000 -0.965 0.000 1.579 174 F HN 0.136 nan 8.300 nan 0.000 0.589 175 V N 2.151 122.220 119.914 0.257 0.000 2.530 175 V HA 0.122 -2.163 4.120 -10.674 0.000 0.282 175 V C 0.402 176.760 176.094 0.440 0.000 1.048 175 V CA -0.966 61.520 62.300 0.311 0.000 0.997 175 V CB 0.683 32.668 31.823 0.270 0.000 0.987 175 V HN 0.742 nan 8.190 nan 0.000 0.477 176 E N 2.197 122.592 120.200 0.325 0.000 2.257 176 E HA -0.217 -2.272 4.350 -10.674 0.000 0.217 176 E C -1.346 175.327 176.600 0.122 0.000 1.248 176 E CA 0.403 56.922 56.400 0.200 0.000 0.691 176 E CB -1.065 28.746 29.700 0.185 0.000 1.185 176 E HN 0.667 nan 8.360 nan 0.000 0.377 177 Y N -0.089 120.247 120.300 0.061 0.000 2.350 177 Y HA 0.418 -1.437 4.550 -10.675 0.000 0.338 177 Y C -0.160 175.771 175.900 0.052 0.000 0.961 177 Y CA -1.068 57.071 58.100 0.065 0.000 1.100 177 Y CB 1.094 39.597 38.460 0.072 0.000 1.179 177 Y HN 0.208 nan 8.280 nan 0.000 0.454 178 F N 3.635 123.605 119.950 0.033 0.000 2.375 178 F HA 0.654 -1.224 4.527 -10.675 0.000 0.362 178 F C 0.420 176.229 175.800 0.016 0.000 1.129 178 F CA -0.845 57.154 58.000 -0.001 0.000 1.154 178 F CB 0.254 39.216 39.000 -0.063 0.000 1.205 178 F HN 0.624 nan 8.300 nan 0.000 0.513 179 A N 7.104 129.820 122.820 -0.172 0.000 2.492 179 A HA 0.312 -1.772 4.320 -10.674 0.000 0.254 179 A C 0.398 177.975 177.584 -0.012 0.000 1.091 179 A CA -0.187 51.795 52.037 -0.092 0.000 0.768 179 A CB 0.220 19.120 19.000 -0.166 0.000 1.028 179 A HN 1.035 nan 8.150 nan 0.000 0.498 180 L N 1.544 122.822 121.223 0.092 0.000 2.185 180 L HA 0.241 -1.823 4.340 -10.674 0.000 0.198 180 L C 0.476 177.376 176.870 0.049 0.000 1.079 180 L CA 0.666 55.584 54.840 0.131 0.000 0.780 180 L CB -0.068 42.043 42.059 0.086 0.000 0.955 180 L HN 0.601 nan 8.230 nan 0.000 0.462 181 D N -1.175 119.231 120.400 0.011 0.000 2.579 181 D HA 0.405 -1.359 4.640 -10.674 0.000 0.257 181 D C -1.355 174.931 176.300 -0.022 0.000 1.176 181 D CA -0.522 53.474 54.000 -0.008 0.000 0.914 181 D CB 2.975 43.770 40.800 -0.008 0.000 1.431 181 D HN -0.244 nan 8.370 nan 0.000 0.454 182 L N 0.950 122.157 121.223 -0.027 0.000 2.305 182 L HA 0.242 -1.822 4.340 -10.674 0.000 0.281 182 L C 0.392 177.248 176.870 -0.024 0.000 1.085 182 L CA -0.100 54.721 54.840 -0.032 0.000 0.813 182 L CB 0.623 42.660 42.059 -0.037 0.000 1.157 182 L HN 0.250 nan 8.230 nan 0.000 0.436 183 L N 4.972 126.182 121.223 -0.022 0.000 2.376 183 L HA 0.115 -1.949 4.340 -10.674 0.000 0.250 183 L C 0.088 176.949 176.870 -0.015 0.000 1.335 183 L CA 0.016 54.848 54.840 -0.014 0.000 1.214 183 L CB -0.398 41.656 42.059 -0.007 0.000 1.395 183 L HN 0.618 nan 8.230 nan 0.000 0.424 184 M N 2.108 121.698 119.600 -0.017 0.000 2.216 184 M HA 0.244 -1.681 4.480 -10.674 0.000 0.356 184 M C -0.264 176.027 176.300 -0.014 0.000 1.205 184 M CA 0.326 55.616 55.300 -0.018 0.000 1.122 184 M CB 0.966 33.553 32.600 -0.020 0.000 1.571 184 M HN 0.209 nan 8.290 nan 0.000 0.464 185 E N 3.512 123.704 120.200 -0.014 0.000 2.302 185 E HA 0.245 -1.809 4.350 -10.674 0.000 0.263 185 E C -1.116 175.476 176.600 -0.014 0.000 0.897 185 E CA -0.437 55.956 56.400 -0.012 0.000 0.809 185 E CB 0.584 30.279 29.700 -0.009 0.000 1.270 185 E HN 0.776 nan 8.360 nan 0.000 0.410 186 N N 3.431 122.123 118.700 -0.014 0.000 2.641 186 N HA -0.239 -1.904 4.740 -10.674 0.000 0.267 186 N C 0.635 176.134 175.510 -0.018 0.000 1.087 186 N CA 1.563 54.604 53.050 -0.015 0.000 0.731 186 N CB -1.172 37.307 38.487 -0.014 0.000 0.886 186 N HN 1.045 nan 8.380 nan 0.000 0.547 187 G N -0.244 108.544 108.800 -0.020 0.000 2.609 187 G HA2 -0.381 -2.825 3.960 -10.674 0.000 0.235 187 G HA3 -0.381 -2.825 3.960 -10.674 0.000 0.235 187 G C -0.014 174.866 174.900 -0.033 0.000 1.177 187 G CA 0.926 46.011 45.100 -0.024 0.000 0.707 187 G HN 0.620 nan 8.290 nan 0.000 0.513 188 E N 0.262 120.444 120.200 -0.031 0.000 2.343 188 E HA 0.487 -1.567 4.350 -10.674 0.000 0.269 188 E C 0.041 176.621 176.600 -0.032 0.000 1.047 188 E CA -0.299 56.080 56.400 -0.036 0.000 0.874 188 E CB 1.811 31.494 29.700 -0.027 0.000 1.033 188 E HN 0.384 nan 8.360 nan 0.000 0.409 189 C N 2.425 121.701 119.300 -0.039 0.000 2.365 189 C HA 0.336 -1.608 4.460 -10.674 0.000 0.351 189 C C 0.957 175.936 174.990 -0.018 0.000 1.240 189 C CA -0.455 58.543 59.018 -0.032 0.000 2.062 189 C CB -0.173 27.541 27.740 -0.043 0.000 2.387 189 C HN 0.751 nan 8.230 nan 0.000 0.537 190 R N 3.080 123.573 120.500 -0.011 0.000 2.446 190 R HA 0.377 -1.688 4.340 -10.674 0.000 0.254 190 R C 0.788 177.091 176.300 0.005 0.000 0.918 190 R CA 0.764 56.865 56.100 0.001 0.000 1.069 190 R CB 0.202 30.505 30.300 0.004 0.000 1.194 190 R HN 1.099 nan 8.270 nan 0.000 0.534 191 G N 0.329 109.123 108.800 -0.009 0.000 2.288 191 G HA2 0.061 -2.384 3.960 -10.674 0.000 0.227 191 G HA3 0.061 -2.384 3.960 -10.674 0.000 0.227 191 G C -1.547 173.332 174.900 -0.035 0.000 1.339 191 G CA -0.266 44.823 45.100 -0.019 0.000 1.057 191 G HN 0.144 nan 8.290 nan 0.000 0.470 192 V N -1.720 118.165 119.914 -0.049 0.000 2.925 192 V HA 0.856 -1.429 4.120 -10.674 0.000 0.311 192 V C -0.276 175.796 176.094 -0.037 0.000 1.104 192 V CA -0.957 61.309 62.300 -0.055 0.000 0.954 192 V CB 1.819 33.588 31.823 -0.089 0.000 1.022 192 V HN 1.351 nan 8.190 nan 0.000 0.427 193 I N 3.199 123.760 120.570 -0.016 0.000 2.354 193 I HA 0.875 -1.360 4.170 -10.674 0.000 0.292 193 I C 0.087 176.224 176.117 0.033 0.000 0.989 193 I CA -0.375 60.933 61.300 0.013 0.000 1.188 193 I CB 1.148 39.152 38.000 0.008 0.000 1.342 193 I HN 1.154 nan 8.210 nan 0.000 0.457 194 A N 7.083 129.954 122.820 0.085 0.000 2.475 194 A HA 0.651 -1.433 4.320 -10.674 0.000 0.301 194 A C -1.618 176.100 177.584 0.224 0.000 1.059 194 A CA -0.639 51.484 52.037 0.143 0.000 0.710 194 A CB 1.631 20.705 19.000 0.123 0.000 1.288 194 A HN 0.713 nan 8.150 nan 0.000 0.408 195 L N 1.842 123.183 121.223 0.197 0.000 2.292 195 L HA 0.560 -1.504 4.340 -10.674 0.000 0.284 195 L C -0.047 176.854 176.870 0.051 0.000 1.065 195 L CA -0.327 54.589 54.840 0.128 0.000 0.806 195 L CB 0.974 43.057 42.059 0.041 0.000 1.175 195 L HN 0.751 nan 8.230 nan 0.000 0.431 196 C N 6.857 126.149 119.300 -0.013 0.000 2.289 196 C HA 0.310 -1.635 4.460 -10.674 0.000 0.340 196 C C 1.798 176.591 174.990 -0.329 0.000 1.152 196 C CA -0.620 58.120 59.018 -0.464 0.000 1.650 196 C CB -1.760 25.895 27.740 -0.142 0.000 2.203 196 C HN 0.959 nan 8.230 nan 0.000 0.511 197 I N 3.199 123.510 120.570 -0.432 0.000 2.454 197 I HA -0.141 -2.375 4.170 -10.674 0.000 0.254 197 I C 2.508 178.397 176.117 -0.379 0.000 1.156 197 I CA 1.295 62.301 61.300 -0.489 0.000 1.433 197 I CB -0.373 37.134 38.000 -0.822 0.000 1.082 197 I HN 0.736 nan 8.210 nan 0.000 0.432 198 E N 1.173 121.255 120.200 -0.196 0.000 2.110 198 E HA -0.253 -2.307 4.350 -10.674 0.000 0.193 198 E C 0.706 177.373 176.600 0.112 0.000 0.988 198 E CA 1.844 58.297 56.400 0.088 0.000 0.804 198 E CB -0.003 29.759 29.700 0.103 0.000 0.745 198 E HN 0.774 nan 8.360 nan 0.000 0.458 199 D N -3.531 116.898 120.400 0.049 0.000 2.602 199 D HA 0.172 -1.592 4.640 -10.674 0.000 0.265 199 D C 0.845 177.181 176.300 0.059 0.000 1.454 199 D CA 0.439 54.485 54.000 0.077 0.000 0.795 199 D CB 0.650 41.511 40.800 0.102 0.000 1.140 199 D HN 0.118 nan 8.370 nan 0.000 0.486 200 G N 0.680 109.496 108.800 0.027 0.000 2.189 200 G HA2 -0.349 -2.793 3.960 -10.674 0.000 0.267 200 G HA3 -0.349 -2.793 3.960 -10.674 0.000 0.267 200 G C 0.599 175.555 174.900 0.093 0.000 0.975 200 G CA 0.587 45.712 45.100 0.042 0.000 0.644 200 G HN 0.967 nan 8.290 nan 0.000 0.537 201 S N -0.492 115.263 115.700 0.092 0.000 2.600 201 S HA 0.660 -1.275 4.470 -10.674 0.000 0.265 201 S C 0.205 174.819 174.600 0.022 0.000 1.325 201 S CA -0.328 57.906 58.200 0.057 0.000 1.002 201 S CB 1.727 64.936 63.200 0.015 0.000 0.921 201 S HN 0.586 nan 8.310 nan 0.000 0.554 202 I N 2.117 122.635 120.570 -0.087 0.000 2.378 202 I HA 0.336 -1.899 4.170 -10.674 0.000 0.291 202 I C -0.191 175.820 176.117 -0.176 0.000 0.992 202 I CA -0.491 60.779 61.300 -0.049 0.000 1.154 202 I CB 1.149 39.127 38.000 -0.037 0.000 1.315 202 I HN 0.646 nan 8.210 nan 0.000 0.448 203 H N 6.252 125.427 119.070 0.175 0.000 2.505 203 H HA 0.453 -1.396 4.556 -10.674 0.000 0.338 203 H C -0.683 174.716 175.328 0.119 0.000 1.057 203 H CA -0.883 55.292 56.048 0.212 0.000 1.202 203 H CB 1.727 31.705 29.762 0.361 0.000 1.466 203 H HN 0.377 nan 8.280 nan 0.000 0.499 204 R N 3.128 123.747 120.500 0.198 0.000 2.204 204 R HA 0.339 -1.725 4.340 -10.674 0.000 0.341 204 R C -0.212 176.177 176.300 0.147 0.000 1.035 204 R CA -0.363 55.805 56.100 0.115 0.000 0.887 204 R CB 0.507 30.845 30.300 0.063 0.000 1.114 204 R HN 0.461 nan 8.270 nan 0.000 0.473 205 I N 4.871 125.484 120.570 0.072 0.000 2.306 205 I HA 0.249 -1.985 4.170 -10.674 0.000 0.288 205 I C 0.439 176.597 176.117 0.068 0.000 1.036 205 I CA -0.465 60.877 61.300 0.070 0.000 1.221 205 I CB 0.594 38.474 38.000 -0.200 0.000 1.385 205 I HN 0.416 nan 8.210 nan 0.000 0.472 206 R N 5.808 126.383 120.500 0.125 0.000 2.474 206 R HA 0.951 -1.114 4.340 -10.674 0.000 0.295 206 R C -0.917 175.457 176.300 0.123 0.000 0.980 206 R CA -0.637 55.517 56.100 0.089 0.000 0.934 206 R CB 1.960 32.298 30.300 0.064 0.000 1.101 206 R HN 0.572 nan 8.270 nan 0.000 0.469 207 A N 1.925 124.795 122.820 0.084 0.000 2.581 207 A HA 0.359 -1.725 4.320 -10.674 0.000 0.290 207 A C 0.068 177.687 177.584 0.057 0.000 1.119 207 A CA -0.918 51.175 52.037 0.094 0.000 0.670 207 A CB 1.562 20.622 19.000 0.100 0.000 1.280 207 A HN 0.871 nan 8.150 nan 0.000 0.425 208 R N -0.322 120.216 120.500 0.062 0.000 2.153 208 R HA 0.041 -2.024 4.340 -10.674 0.000 0.218 208 R C -0.254 176.067 176.300 0.035 0.000 1.072 208 R CA 1.051 57.180 56.100 0.049 0.000 0.990 208 R CB 0.026 30.367 30.300 0.067 0.000 0.889 208 R HN 0.732 nan 8.270 nan 0.000 0.452 209 N N -0.968 117.745 118.700 0.022 0.000 2.357 209 N HA 0.231 -1.433 4.740 -10.674 0.000 0.284 209 N C -1.541 173.976 175.510 0.012 0.000 1.236 209 N CA -0.415 52.657 53.050 0.036 0.000 0.774 209 N CB 2.558 41.058 38.487 0.022 0.000 1.534 209 N HN -0.180 nan 8.380 nan 0.000 0.478 210 T N 0.290 114.875 114.554 0.050 0.000 3.066 210 T HA 0.277 -1.777 4.350 -10.674 0.000 0.318 210 T C -0.340 174.386 174.700 0.043 0.000 0.979 210 T CA -0.474 61.629 62.100 0.005 0.000 1.025 210 T CB 1.098 69.954 68.868 -0.020 0.000 1.002 210 T HN 0.125 nan 8.240 nan 0.000 0.453 211 V N 3.488 123.397 119.914 -0.008 0.000 2.465 211 V HA 0.489 -1.795 4.120 -10.674 0.000 0.279 211 V C 0.122 176.201 176.094 -0.026 0.000 1.045 211 V CA -0.689 61.611 62.300 -0.000 0.000 0.938 211 V CB 1.479 33.259 31.823 -0.071 0.000 0.986 211 V HN 0.669 nan 8.190 nan 0.000 0.467 212 V N 4.052 123.959 119.914 -0.012 0.000 2.378 212 V HA 0.733 -1.552 4.120 -10.674 0.000 0.288 212 V C 0.400 176.479 176.094 -0.026 0.000 1.016 212 V CA -0.131 62.148 62.300 -0.034 0.000 0.840 212 V CB 1.462 33.260 31.823 -0.043 0.000 0.994 212 V HN 1.005 nan 8.190 nan 0.000 0.431 213 A N 2.616 125.418 122.820 -0.031 0.000 3.308 213 A HA 0.415 -1.670 4.320 -10.674 0.000 0.275 213 A C 0.948 178.515 177.584 -0.028 0.000 0.950 213 A CA 0.303 52.330 52.037 -0.016 0.000 0.987 213 A CB 0.248 19.249 19.000 0.003 0.000 1.146 213 A HN 0.835 nan 8.150 nan 0.000 0.488 214 T N -2.397 112.130 114.554 -0.046 0.000 3.194 214 T HA 0.442 -1.612 4.350 -10.674 0.000 0.251 214 T C 1.189 175.857 174.700 -0.053 0.000 1.132 214 T CA 0.906 62.969 62.100 -0.062 0.000 1.028 214 T CB -0.459 68.358 68.868 -0.085 0.000 0.976 214 T HN 2.126 nan 8.240 nan 0.000 0.535 215 G N 0.242 109.012 108.800 -0.050 0.000 2.750 215 G HA2 0.176 -2.269 3.960 -10.674 0.000 0.228 215 G HA3 0.176 -2.269 3.960 -10.674 0.000 0.228 215 G C 0.194 175.025 174.900 -0.115 0.000 1.367 215 G CA -0.583 44.467 45.100 -0.083 0.000 0.871 215 G HN 0.914 nan 8.290 nan 0.000 0.560 216 G N -1.657 107.009 108.800 -0.224 0.000 2.611 216 G HA2 0.624 -1.820 3.960 -10.674 0.000 0.273 216 G HA3 0.624 -1.820 3.960 -10.674 0.000 0.273 216 G C 0.254 175.066 174.900 -0.147 0.000 1.305 216 G CA 0.454 45.366 45.100 -0.313 0.000 1.010 216 G HN 1.887 nan 8.290 nan 0.000 0.509 217 Y N -2.496 117.710 120.300 -0.157 0.000 2.672 217 Y HA 0.499 -1.358 4.550 -10.678 0.000 0.272 217 Y C 1.547 177.421 175.900 -0.043 0.000 1.055 217 Y CA -0.625 57.428 58.100 -0.078 0.000 1.151 217 Y CB 0.010 38.442 38.460 -0.047 0.000 1.190 217 Y HN 0.476 nan 8.280 nan 0.000 0.574 218 G N 1.217 109.902 108.800 -0.192 0.000 2.462 218 G HA2 -0.197 -2.641 3.960 -10.674 0.000 0.220 218 G HA3 -0.197 -2.641 3.960 -10.674 0.000 0.220 218 G C 1.603 176.529 174.900 0.044 0.000 1.121 218 G CA 0.256 45.271 45.100 -0.141 0.000 0.758 218 G HN 0.262 nan 8.290 nan 0.000 0.559 219 R N 0.872 121.411 120.500 0.065 0.000 2.343 219 R HA 0.001 -2.063 4.340 -10.674 0.000 0.202 219 R C 2.302 178.692 176.300 0.149 0.000 1.023 219 R CA 1.041 57.204 56.100 0.106 0.000 1.084 219 R CB -0.797 29.564 30.300 0.102 0.000 0.956 219 R HN 0.563 nan 8.270 nan 0.000 0.478 220 T N -2.944 111.728 114.554 0.197 0.000 2.995 220 T HA -0.032 -2.086 4.350 -10.674 0.000 0.269 220 T C 0.695 175.401 174.700 0.010 0.000 1.091 220 T CA 0.779 62.950 62.100 0.118 0.000 1.128 220 T CB -0.105 68.853 68.868 0.150 0.000 0.891 220 T HN 0.026 nan 8.240 nan 0.000 0.492 221 Y N -0.427 119.940 120.300 0.111 0.000 2.453 221 Y HA 0.496 -1.361 4.550 -10.679 0.000 0.326 221 Y C 0.918 176.916 175.900 0.164 0.000 1.186 221 Y CA -2.308 55.879 58.100 0.145 0.000 1.200 221 Y CB 0.785 39.314 38.460 0.115 0.000 1.247 221 Y HN -0.054 nan 8.280 nan 0.000 0.482 222 F N 0.459 120.547 119.950 0.229 0.000 2.171 222 F HA -0.055 -1.933 4.527 -10.676 0.000 0.300 222 F C 0.894 176.770 175.800 0.125 0.000 1.090 222 F CA 1.254 59.342 58.000 0.147 0.000 1.293 222 F CB 0.046 39.119 39.000 0.123 0.000 1.013 222 F HN 0.272 nan 8.300 nan 0.000 0.486 223 S N 0.564 116.246 115.700 -0.030 0.000 2.596 223 S HA 0.606 -1.328 4.470 -10.674 0.000 0.318 223 S C -0.917 173.655 174.600 -0.046 0.000 1.097 223 S CA -0.474 57.617 58.200 -0.182 0.000 1.080 223 S CB 0.135 63.265 63.200 -0.117 0.000 0.991 223 S HN 0.513 nan 8.310 nan 0.000 0.471 224 C N 2.473 121.713 119.300 -0.100 0.000 3.086 224 C HA 0.713 -1.232 4.460 -10.674 0.000 0.311 224 C C 1.597 176.530 174.990 -0.095 0.000 1.260 224 C CA -0.033 58.935 59.018 -0.083 0.000 1.426 224 C CB 0.622 28.318 27.740 -0.073 0.000 1.826 224 C HN 0.825 nan 8.230 nan 0.000 0.474 225 T N -0.255 114.267 114.554 -0.053 0.000 2.985 225 T HA 0.084 -1.970 4.350 -10.674 0.000 0.266 225 T C 0.825 175.527 174.700 0.002 0.000 1.076 225 T CA 1.179 63.262 62.100 -0.029 0.000 1.135 225 T CB -0.675 68.240 68.868 0.078 0.000 0.890 225 T HN 1.335 nan 8.240 nan 0.000 0.480 226 S N 1.616 117.303 115.700 -0.021 0.000 2.584 226 S HA 0.649 -1.285 4.470 -10.674 0.000 0.270 226 S C 0.559 175.197 174.600 0.063 0.000 1.346 226 S CA -0.676 57.564 58.200 0.067 0.000 1.018 226 S CB 0.595 63.615 63.200 -0.300 0.000 0.899 226 S HN 0.719 nan 8.310 nan 0.000 0.542 227 A N 1.015 123.987 122.820 0.253 0.000 2.327 227 A HA 0.263 -1.821 4.320 -10.674 0.000 0.255 227 A C 1.265 178.843 177.584 -0.010 0.000 1.099 227 A CA -0.355 51.733 52.037 0.086 0.000 0.801 227 A CB -0.395 18.743 19.000 0.230 0.000 1.062 227 A HN 1.006 nan 8.150 nan 0.000 0.496 228 H N 0.156 119.281 119.070 0.091 0.000 2.489 228 H HA -0.077 -1.925 4.556 -10.674 0.000 0.293 228 H C 1.379 176.760 175.328 0.089 0.000 1.066 228 H CA 1.969 58.064 56.048 0.079 0.000 1.305 228 H CB -0.280 29.530 29.762 0.080 0.000 1.386 228 H HN 0.728 nan 8.280 nan 0.000 0.551 229 T N -1.618 113.057 114.554 0.202 0.000 3.264 229 T HA 0.224 -1.831 4.350 -10.674 0.000 0.257 229 T C 0.457 175.213 174.700 0.093 0.000 0.976 229 T CA -0.395 61.800 62.100 0.158 0.000 0.908 229 T CB -0.114 68.849 68.868 0.159 0.000 1.082 229 T HN -0.082 nan 8.240 nan 0.000 0.567 230 S N 2.525 118.259 115.700 0.057 0.000 2.790 230 S HA 0.301 -1.633 4.470 -10.674 0.000 0.202 230 S C 1.100 175.722 174.600 0.036 0.000 1.383 230 S CA -0.746 57.442 58.200 -0.021 0.000 1.026 230 S CB 0.203 63.314 63.200 -0.149 0.000 1.253 230 S HN 0.726 nan 8.310 nan 0.000 0.489 231 T N -1.774 112.823 114.554 0.071 0.000 3.129 231 T HA 0.350 -1.705 4.350 -10.674 0.000 0.267 231 T C 1.146 175.911 174.700 0.108 0.000 1.018 231 T CA 0.042 62.209 62.100 0.111 0.000 0.903 231 T CB 0.157 69.109 68.868 0.139 0.000 1.067 231 T HN 0.637 nan 8.240 nan 0.000 0.549 232 G N 2.441 111.302 108.800 0.101 0.000 2.395 232 G HA2 -0.235 -2.679 3.960 -10.674 0.000 0.292 232 G HA3 -0.235 -2.679 3.960 -10.674 0.000 0.292 232 G C 0.433 175.342 174.900 0.015 0.000 0.953 232 G CA 0.416 45.572 45.100 0.093 0.000 1.207 232 G HN 0.534 nan 8.290 nan 0.000 0.503 233 D N 0.191 120.580 120.400 -0.019 0.000 2.123 233 D HA -0.066 -1.831 4.640 -10.674 0.000 0.200 233 D C 2.460 178.717 176.300 -0.073 0.000 0.976 233 D CA 1.388 55.356 54.000 -0.053 0.000 0.831 233 D CB -0.342 40.346 40.800 -0.186 0.000 0.974 233 D HN 0.535 nan 8.370 nan 0.000 0.469 234 G N 0.727 109.477 108.800 -0.083 0.000 2.443 234 G HA2 -0.196 -2.640 3.960 -10.674 0.000 0.219 234 G HA3 -0.196 -2.640 3.960 -10.674 0.000 0.219 234 G C 1.658 176.518 174.900 -0.065 0.000 1.131 234 G CA 1.224 46.278 45.100 -0.077 0.000 0.775 234 G HN 0.210 nan 8.290 nan 0.000 0.547 235 T N 1.689 116.207 114.554 -0.060 0.000 2.746 235 T HA 0.003 -2.051 4.350 -10.674 0.000 0.267 235 T C 2.750 177.396 174.700 -0.091 0.000 1.039 235 T CA 1.419 63.469 62.100 -0.083 0.000 1.142 235 T CB -0.313 68.492 68.868 -0.106 0.000 0.866 235 T HN 0.338 nan 8.240 nan 0.000 0.444 236 A N 1.206 123.985 122.820 -0.068 0.000 1.929 236 A HA 0.103 -1.981 4.320 -10.674 0.000 0.216 236 A C 2.360 179.925 177.584 -0.033 0.000 1.176 236 A CA 1.140 53.151 52.037 -0.044 0.000 0.628 236 A CB -0.683 18.312 19.000 -0.009 0.000 0.816 236 A HN 0.436 nan 8.150 nan 0.000 0.444 237 M N -0.784 118.794 119.600 -0.037 0.000 2.117 237 M HA -0.130 -2.055 4.480 -10.674 0.000 0.262 237 M C 2.064 178.338 176.300 -0.043 0.000 1.065 237 M CA 1.371 56.650 55.300 -0.036 0.000 1.114 237 M CB -0.350 32.221 32.600 -0.049 0.000 1.361 237 M HN 0.249 nan 8.290 nan 0.000 0.408 238 V N -0.566 119.314 119.914 -0.058 0.000 2.358 238 V HA -0.233 -2.518 4.120 -10.674 0.000 0.246 238 V C 2.312 178.367 176.094 -0.065 0.000 1.047 238 V CA 2.063 64.324 62.300 -0.066 0.000 1.035 238 V CB -0.806 30.967 31.823 -0.083 0.000 0.658 238 V HN 0.485 nan 8.190 nan 0.000 0.452 239 T N -0.617 113.895 114.554 -0.071 0.000 2.746 239 T HA -0.179 -2.233 4.350 -10.674 0.000 0.267 239 T C 2.040 176.722 174.700 -0.029 0.000 1.039 239 T CA 1.380 63.439 62.100 -0.068 0.000 1.142 239 T CB -0.200 68.618 68.868 -0.083 0.000 0.866 239 T HN 0.372 nan 8.240 nan 0.000 0.444 240 R N 0.384 120.873 120.500 -0.019 0.000 2.235 240 R HA 0.170 -1.894 4.340 -10.674 0.000 0.213 240 R C 2.336 178.635 176.300 -0.002 0.000 1.059 240 R CA 0.726 56.825 56.100 -0.002 0.000 0.997 240 R CB -0.087 30.214 30.300 0.002 0.000 0.884 240 R HN 0.272 nan 8.270 nan 0.000 0.462 241 A N -0.138 122.676 122.820 -0.009 0.000 2.169 241 A HA 0.169 -1.916 4.320 -10.674 0.000 0.212 241 A C 1.448 179.040 177.584 0.014 0.000 1.153 241 A CA 0.935 52.968 52.037 -0.005 0.000 0.756 241 A CB 0.040 19.030 19.000 -0.018 0.000 0.813 241 A HN 0.414 nan 8.150 nan 0.000 0.471 242 G N -2.025 106.794 108.800 0.032 0.000 2.175 242 G HA2 -0.169 -2.614 3.960 -10.674 0.000 0.244 242 G HA3 -0.169 -2.614 3.960 -10.674 0.000 0.244 242 G C -0.079 174.920 174.900 0.165 0.000 0.982 242 G CA 0.181 45.339 45.100 0.097 0.000 0.641 242 G HN 0.349 nan 8.290 nan 0.000 0.527 243 L N 2.793 124.044 121.223 0.046 0.000 2.371 243 L HA 0.487 -1.578 4.340 -10.674 0.000 0.272 243 L C -1.125 175.620 176.870 -0.208 0.000 1.124 243 L CA -1.707 53.125 54.840 -0.013 0.000 0.816 243 L CB 0.516 42.547 42.059 -0.048 0.000 1.129 243 L HN -0.009 nan 8.230 nan 0.000 0.448 244 P HA 0.090 nan 4.420 nan 0.000 0.272 244 P C -1.070 175.992 177.300 -0.397 0.000 1.230 244 P CA -0.446 62.193 63.100 -0.768 0.000 0.788 244 P CB 0.860 32.126 31.700 -0.723 0.000 0.949 245 C N 1.459 120.536 119.300 -0.372 0.000 2.455 245 C HA 0.399 -1.545 4.460 -10.674 0.000 0.320 245 C C 0.286 175.170 174.990 -0.177 0.000 1.226 245 C CA -0.155 58.728 59.018 -0.226 0.000 1.569 245 C CB 1.058 28.680 27.740 -0.196 0.000 2.200 245 C HN 0.572 nan 8.230 nan 0.000 0.491 246 Q N 1.516 121.242 119.800 -0.124 0.000 2.241 246 Q HA 0.226 -1.838 4.340 -10.674 0.000 0.254 246 Q C -0.417 175.595 176.000 0.020 0.000 0.917 246 Q CA -0.003 55.752 55.803 -0.080 0.000 0.919 246 Q CB 0.671 29.316 28.738 -0.155 0.000 1.237 246 Q HN 0.777 nan 8.270 nan 0.000 0.434 247 D N 2.841 123.318 120.400 0.128 0.000 2.701 247 D HA -0.230 -1.994 4.640 -10.674 0.000 0.235 247 D C 0.432 176.931 176.300 0.331 0.000 1.155 247 D CA 0.723 54.920 54.000 0.330 0.000 0.649 247 D CB -0.805 40.158 40.800 0.272 0.000 1.050 247 D HN 0.650 nan 8.370 nan 0.000 0.425 248 L N 0.212 121.546 121.223 0.184 0.000 2.291 248 L HA -0.125 -2.189 4.340 -10.674 0.000 0.214 248 L C 2.574 179.567 176.870 0.204 0.000 1.120 248 L CA 0.989 55.932 54.840 0.171 0.000 0.799 248 L CB -0.160 41.906 42.059 0.012 0.000 0.925 248 L HN 0.204 nan 8.230 nan 0.000 0.446 249 E N 0.475 120.739 120.200 0.107 0.000 2.347 249 E HA -0.166 -2.220 4.350 -10.674 0.000 0.196 249 E C 0.265 176.856 176.600 -0.015 0.000 1.008 249 E CA 0.335 56.736 56.400 0.003 0.000 0.852 249 E CB -0.272 29.305 29.700 -0.204 0.000 0.783 249 E HN 0.283 nan 8.360 nan 0.000 0.505 250 F N 1.902 121.941 119.950 0.149 0.000 2.468 250 F HA 0.193 -1.692 4.527 -10.687 0.000 0.356 250 F C -0.069 175.795 175.800 0.107 0.000 1.167 250 F CA -0.378 57.712 58.000 0.151 0.000 1.135 250 F CB 0.955 40.034 39.000 0.132 0.000 1.197 250 F HN -0.285 nan 8.300 nan 0.000 0.569 251 V N 3.981 124.010 119.914 0.191 0.000 2.444 251 V HA 0.237 -2.048 4.120 -10.674 0.000 0.294 251 V C -0.151 175.843 176.094 -0.165 0.000 1.022 251 V CA -1.016 61.251 62.300 -0.054 0.000 0.850 251 V CB 1.577 33.297 31.823 -0.172 0.000 0.992 251 V HN 0.625 nan 8.190 nan 0.000 0.426 252 Q N 3.864 123.586 119.800 -0.130 0.000 2.296 252 Q HA 0.376 -1.689 4.340 -10.674 0.000 0.262 252 Q C -1.480 174.380 176.000 -0.234 0.000 0.981 252 Q CA -0.105 55.678 55.803 -0.034 0.000 0.905 252 Q CB 0.567 29.390 28.738 0.142 0.000 1.186 252 Q HN 0.609 nan 8.270 nan 0.000 0.399 253 F N 3.384 123.335 119.950 0.002 0.000 2.334 253 F HA 0.209 -1.672 4.527 -10.680 0.000 0.367 253 F C 0.032 175.831 175.800 -0.001 0.000 1.115 253 F CA -0.740 57.253 58.000 -0.012 0.000 1.116 253 F CB 0.768 39.731 39.000 -0.061 0.000 1.230 253 F HN 0.639 nan 8.300 nan 0.000 0.484 254 H N 5.295 124.405 119.070 0.066 0.000 2.848 254 H HA 0.113 -1.735 4.556 -10.674 0.000 0.317 254 H C -1.687 173.640 175.328 -0.002 0.000 1.046 254 H CA -1.226 54.778 56.048 -0.074 0.000 1.470 254 H CB 1.114 30.710 29.762 -0.276 0.000 1.483 254 H HN 0.317 nan 8.280 nan 0.000 0.548 255 P HA -0.141 nan 4.420 nan 0.000 0.216 255 P C -0.152 177.242 177.300 0.157 0.000 1.153 255 P CA 1.615 64.742 63.100 0.045 0.000 0.858 255 P CB 0.211 31.870 31.700 -0.068 0.000 0.789 256 T N -2.598 112.127 114.554 0.284 0.000 2.770 256 T HA 0.720 -1.334 4.350 -10.674 0.000 0.283 256 T C -0.011 174.753 174.700 0.108 0.000 0.988 256 T CA -0.723 61.491 62.100 0.190 0.000 0.957 256 T CB 1.481 70.434 68.868 0.141 0.000 0.930 256 T HN 0.123 nan 8.240 nan 0.000 0.443 257 G N 2.821 111.665 108.800 0.074 0.000 2.733 257 G HA2 0.508 -1.936 3.960 -10.674 0.000 0.297 257 G HA3 0.508 -1.936 3.960 -10.674 0.000 0.297 257 G C -0.837 174.079 174.900 0.027 0.000 1.452 257 G CA -1.083 44.022 45.100 0.007 0.000 0.940 257 G HN 0.833 nan 8.290 nan 0.000 0.547 258 I N 1.934 122.492 120.570 -0.020 0.000 2.821 258 I HA -0.062 -2.296 4.170 -10.674 0.000 0.294 258 I C 1.627 177.760 176.117 0.028 0.000 1.210 258 I CA -0.011 61.293 61.300 0.007 0.000 1.430 258 I CB 0.352 38.326 38.000 -0.043 0.000 1.356 258 I HN 0.652 nan 8.210 nan 0.000 0.563 259 Y N 6.418 126.682 120.300 -0.060 0.000 2.241 259 Y HA -0.199 -2.054 4.550 -10.675 0.000 0.286 259 Y C 1.842 177.694 175.900 -0.080 0.000 1.166 259 Y CA 1.633 59.668 58.100 -0.108 0.000 1.203 259 Y CB -0.443 37.833 38.460 -0.307 0.000 0.977 259 Y HN 0.666 nan 8.280 nan 0.000 0.529 260 G N -0.317 108.395 108.800 -0.147 0.000 2.679 260 G HA2 -0.028 -2.472 3.960 -10.674 0.000 0.185 260 G HA3 -0.028 -2.472 3.960 -10.674 0.000 0.185 260 G C 1.730 176.519 174.900 -0.185 0.000 1.656 260 G CA 0.875 45.866 45.100 -0.182 0.000 0.892 260 G HN 0.526 nan 8.290 nan 0.000 0.389 261 A N -1.087 121.664 122.820 -0.116 0.000 2.019 261 A HA 0.371 -1.714 4.320 -10.674 0.000 0.219 261 A C 1.950 179.395 177.584 -0.232 0.000 1.164 261 A CA 2.012 53.958 52.037 -0.153 0.000 0.644 261 A CB -0.715 18.218 19.000 -0.111 0.000 0.805 261 A HN 2.210 nan 8.150 nan 0.000 0.449 262 G N -2.158 106.501 108.800 -0.235 0.000 2.215 262 G HA2 -0.157 -2.601 3.960 -10.674 0.000 0.198 262 G HA3 -0.157 -2.601 3.960 -10.674 0.000 0.198 262 G C -0.032 174.735 174.900 -0.222 0.000 1.047 262 G CA -0.295 44.686 45.100 -0.199 0.000 0.747 262 G HN 0.687 nan 8.290 nan 0.000 0.495 263 C N -0.119 118.992 119.300 -0.315 0.000 2.534 263 C HA 0.670 -1.274 4.460 -10.674 0.000 0.385 263 C C 1.065 175.936 174.990 -0.199 0.000 1.264 263 C CA -0.832 57.989 59.018 -0.328 0.000 2.342 263 C CB 0.803 28.197 27.740 -0.577 0.000 2.564 263 C HN 0.724 nan 8.230 nan 0.000 0.603 264 L N 2.954 124.082 121.223 -0.157 0.000 2.367 264 L HA 0.472 -1.593 4.340 -10.674 0.000 0.275 264 L C -0.427 176.366 176.870 -0.128 0.000 1.129 264 L CA 0.446 55.195 54.840 -0.152 0.000 0.839 264 L CB 0.059 42.037 42.059 -0.135 0.000 1.133 264 L HN 0.523 nan 8.230 nan 0.000 0.453 265 I N 4.512 125.009 120.570 -0.121 0.000 2.312 265 I HA 0.216 -2.018 4.170 -10.674 0.000 0.290 265 I C 0.725 176.799 176.117 -0.072 0.000 1.008 265 I CA -0.357 60.906 61.300 -0.062 0.000 1.226 265 I CB 1.408 39.398 38.000 -0.017 0.000 1.371 265 I HN 0.603 nan 8.210 nan 0.000 0.468 266 T N 3.363 117.904 114.554 -0.023 0.000 2.906 266 T HA -0.073 -2.127 4.350 -10.674 0.000 0.320 266 T C 1.190 175.944 174.700 0.091 0.000 1.088 266 T CA 0.236 62.364 62.100 0.046 0.000 1.120 266 T CB 0.588 69.529 68.868 0.123 0.000 1.000 266 T HN 0.829 nan 8.240 nan 0.000 0.550 267 E N 1.744 122.032 120.200 0.146 0.000 2.347 267 E HA 0.010 -2.044 4.350 -10.674 0.000 0.196 267 E C 2.014 178.305 176.600 -0.514 0.000 1.008 267 E CA 0.768 57.040 56.400 -0.213 0.000 0.852 267 E CB -0.673 28.762 29.700 -0.442 0.000 0.783 267 E HN 0.902 nan 8.360 nan 0.000 0.505 268 G N 0.125 108.797 108.800 -0.213 0.000 2.535 268 G HA2 -0.257 -2.702 3.960 -10.674 0.000 0.218 268 G HA3 -0.257 -2.702 3.960 -10.674 0.000 0.218 268 G C 1.428 176.315 174.900 -0.022 0.000 1.122 268 G CA 0.757 45.847 45.100 -0.017 0.000 0.769 268 G HN 0.371 nan 8.290 nan 0.000 0.549 269 C N -0.228 119.045 119.300 -0.045 0.000 2.466 269 C HA 0.088 -1.856 4.460 -10.674 0.000 0.278 269 C C 2.851 177.812 174.990 -0.050 0.000 1.288 269 C CA 0.474 59.475 59.018 -0.028 0.000 1.722 269 C CB -0.676 27.054 27.740 -0.016 0.000 2.017 269 C HN 0.466 nan 8.230 nan 0.000 0.488 270 R N 0.562 120.997 120.500 -0.108 0.000 2.189 270 R HA 0.003 -2.061 4.340 -10.674 0.000 0.218 270 R C 2.342 178.577 176.300 -0.108 0.000 1.074 270 R CA 1.194 57.228 56.100 -0.110 0.000 0.991 270 R CB -0.444 29.759 30.300 -0.161 0.000 0.883 270 R HN 0.626 nan 8.270 nan 0.000 0.457 271 G N 0.455 109.165 108.800 -0.150 0.000 2.511 271 G HA2 -0.163 -2.608 3.960 -10.674 0.000 0.217 271 G HA3 -0.163 -2.608 3.960 -10.674 0.000 0.217 271 G C 1.178 176.108 174.900 0.050 0.000 1.133 271 G CA 0.188 45.253 45.100 -0.057 0.000 0.792 271 G HN 0.174 nan 8.290 nan 0.000 0.539 272 E N -0.190 120.038 120.200 0.047 0.000 2.447 272 E HA 0.163 -1.892 4.350 -10.674 0.000 0.195 272 E C 1.714 178.350 176.600 0.061 0.000 1.028 272 E CA 0.678 57.125 56.400 0.078 0.000 0.876 272 E CB 0.628 30.372 29.700 0.074 0.000 0.885 272 E HN 0.447 nan 8.360 nan 0.000 0.500 273 G N 0.766 109.595 108.800 0.049 0.000 2.370 273 G HA2 -0.143 -2.588 3.960 -10.674 0.000 0.174 273 G HA3 -0.143 -2.588 3.960 -10.674 0.000 0.174 273 G C 0.590 175.565 174.900 0.125 0.000 1.002 273 G CA -0.307 44.846 45.100 0.088 0.000 0.730 273 G HN 0.375 nan 8.290 nan 0.000 0.497 274 G N 0.329 109.159 108.800 0.049 0.000 2.491 274 G HA2 0.506 -1.938 3.960 -10.674 0.000 0.242 274 G HA3 0.506 -1.938 3.960 -10.674 0.000 0.242 274 G C -0.006 174.950 174.900 0.093 0.000 1.266 274 G CA 0.125 45.261 45.100 0.059 0.000 0.844 274 G HN 0.387 nan 8.290 nan 0.000 0.571 275 I N 0.917 121.579 120.570 0.154 0.000 2.740 275 I HA 0.373 -1.861 4.170 -10.674 0.000 0.303 275 I C -0.693 175.462 176.117 0.064 0.000 1.044 275 I CA -1.141 60.210 61.300 0.086 0.000 1.064 275 I CB 1.779 39.837 38.000 0.096 0.000 1.249 275 I HN 0.145 nan 8.210 nan 0.000 0.433 276 L N 5.189 126.392 121.223 -0.033 0.000 2.282 276 L HA 0.508 -1.557 4.340 -10.674 0.000 0.288 276 L C -0.452 176.474 176.870 0.092 0.000 1.033 276 L CA -0.131 54.713 54.840 0.006 0.000 0.807 276 L CB 1.115 43.072 42.059 -0.169 0.000 1.209 276 L HN 0.321 nan 8.230 nan 0.000 0.423 277 I N 3.667 124.440 120.570 0.338 0.000 2.466 277 I HA 0.371 -1.863 4.170 -10.674 0.000 0.289 277 I C -0.063 176.244 176.117 0.317 0.000 1.026 277 I CA -0.460 61.046 61.300 0.343 0.000 1.078 277 I CB 1.640 39.784 38.000 0.240 0.000 1.249 277 I HN 0.686 nan 8.210 nan 0.000 0.429 278 N N 3.076 121.929 118.700 0.255 0.000 2.431 278 N HA 0.169 -1.496 4.740 -10.674 0.000 0.289 278 N C 1.065 176.498 175.510 -0.129 0.000 1.277 278 N CA -0.088 52.921 53.050 -0.068 0.000 0.972 278 N CB 0.041 38.402 38.487 -0.211 0.000 1.143 278 N HN 0.504 nan 8.380 nan 0.000 0.578 279 S N -2.160 113.420 115.700 -0.199 0.000 2.440 279 S HA -0.265 -2.200 4.470 -10.674 0.000 0.238 279 S C 1.534 176.065 174.600 -0.114 0.000 1.010 279 S CA 1.189 59.268 58.200 -0.201 0.000 0.972 279 S CB -0.563 62.521 63.200 -0.195 0.000 0.774 279 S HN 0.715 nan 8.310 nan 0.000 0.501 280 Q N 0.975 120.735 119.800 -0.067 0.000 2.212 280 Q HA 0.204 -1.860 4.340 -10.674 0.000 0.199 280 Q C 1.563 177.560 176.000 -0.005 0.000 0.950 280 Q CA 0.996 56.780 55.803 -0.031 0.000 0.863 280 Q CB -0.151 28.578 28.738 -0.015 0.000 0.944 280 Q HN 0.786 nan 8.270 nan 0.000 0.465 281 G N 0.830 109.641 108.800 0.018 0.000 2.211 281 G HA2 -0.237 -2.681 3.960 -10.674 0.000 0.201 281 G HA3 -0.237 -2.681 3.960 -10.674 0.000 0.201 281 G C -0.163 174.778 174.900 0.068 0.000 0.997 281 G CA 0.109 45.237 45.100 0.046 0.000 0.652 281 G HN 0.402 nan 8.290 nan 0.000 0.500 282 E N 1.078 121.326 120.200 0.079 0.000 2.376 282 E HA 0.231 -1.824 4.350 -10.674 0.000 0.266 282 E C 0.611 177.303 176.600 0.153 0.000 1.009 282 E CA -0.575 55.883 56.400 0.097 0.000 0.902 282 E CB 0.296 30.054 29.700 0.097 0.000 0.972 282 E HN 0.356 nan 8.360 nan 0.000 0.439 283 R N 5.415 125.968 120.500 0.087 0.000 2.459 283 R HA -0.007 -2.071 4.340 -10.674 0.000 0.301 283 R C 0.754 177.082 176.300 0.047 0.000 1.286 283 R CA -0.069 56.049 56.100 0.031 0.000 1.046 283 R CB -0.397 29.889 30.300 -0.023 0.000 1.071 283 R HN 0.577 nan 8.270 nan 0.000 0.512 284 F N 2.342 122.343 119.950 0.085 0.000 2.407 284 F HA -0.001 -1.879 4.527 -10.676 0.000 0.299 284 F C 1.138 177.082 175.800 0.240 0.000 1.097 284 F CA 0.154 58.243 58.000 0.149 0.000 1.422 284 F CB -0.041 39.072 39.000 0.189 0.000 1.067 284 F HN 0.284 nan 8.300 nan 0.000 0.539 285 M N 1.080 120.370 119.600 -0.518 0.000 2.659 285 M HA -0.005 -1.930 4.480 -10.674 0.000 0.243 285 M C 1.550 177.818 176.300 -0.054 0.000 1.111 285 M CA 0.689 55.818 55.300 -0.285 0.000 1.070 285 M CB -1.228 31.083 32.600 -0.481 0.000 1.525 285 M HN 0.484 nan 8.290 nan 0.000 0.517 286 E N -0.318 119.873 120.200 -0.015 0.000 2.460 286 E HA -0.015 -2.069 4.350 -10.674 0.000 0.200 286 E C 2.027 178.651 176.600 0.040 0.000 1.011 286 E CA -0.017 56.391 56.400 0.013 0.000 0.912 286 E CB 0.556 30.253 29.700 -0.004 0.000 0.953 286 E HN 0.357 nan 8.360 nan 0.000 0.494 287 R N -0.637 119.904 120.500 0.069 0.000 2.112 287 R HA -0.029 -2.093 4.340 -10.674 0.000 0.216 287 R C 1.265 177.537 176.300 -0.046 0.000 1.080 287 R CA 0.695 56.792 56.100 -0.006 0.000 0.996 287 R CB 0.053 30.327 30.300 -0.043 0.000 0.902 287 R HN 0.171 nan 8.270 nan 0.000 0.449 288 Y N 0.258 120.602 120.300 0.074 0.000 2.153 288 Y HA 0.173 -1.682 4.550 -10.675 0.000 0.289 288 Y C 0.994 176.932 175.900 0.063 0.000 1.119 288 Y CA 0.970 59.119 58.100 0.081 0.000 1.116 288 Y CB 0.117 38.643 38.460 0.110 0.000 1.004 288 Y HN 0.052 nan 8.280 nan 0.000 0.501 289 A N 0.411 123.361 122.820 0.217 0.000 2.316 289 A HA 0.393 -1.691 4.320 -10.674 0.000 0.324 289 A C -2.141 175.499 177.584 0.092 0.000 1.375 289 A CA -1.451 50.673 52.037 0.144 0.000 0.882 289 A CB 0.313 19.394 19.000 0.135 0.000 1.152 289 A HN 0.075 nan 8.150 nan 0.000 0.512 290 P HA -0.101 nan 4.420 nan 0.000 0.215 290 P C 1.534 178.860 177.300 0.043 0.000 1.157 290 P CA 0.924 64.052 63.100 0.047 0.000 0.859 290 P CB 0.200 31.922 31.700 0.037 0.000 0.786 291 V N 0.327 120.273 119.914 0.054 0.000 2.249 291 V HA -0.106 -2.391 4.120 -10.674 0.000 0.239 291 V C 2.450 178.580 176.094 0.059 0.000 1.038 291 V CA 2.335 64.664 62.300 0.048 0.000 1.005 291 V CB -1.814 30.036 31.823 0.044 0.000 0.646 291 V HN 0.044 nan 8.190 nan 0.000 0.455 292 A N -1.763 121.115 122.820 0.096 0.000 2.119 292 A HA 0.050 -2.035 4.320 -10.674 0.000 0.216 292 A C 1.270 178.881 177.584 0.045 0.000 1.152 292 A CA 0.872 52.969 52.037 0.100 0.000 0.708 292 A CB -0.188 18.937 19.000 0.208 0.000 0.805 292 A HN 0.602 nan 8.150 nan 0.000 0.460 293 K N -1.352 119.071 120.400 0.038 0.000 1.898 293 K HA -0.233 -2.317 4.320 -10.674 0.000 0.256 293 K C -0.055 176.520 176.600 -0.043 0.000 1.652 293 K CA 1.507 57.793 56.287 -0.001 0.000 0.589 293 K CB -1.000 31.492 32.500 -0.012 0.000 0.785 293 K HN 0.573 nan 8.250 nan 0.000 0.824 294 D N 0.741 121.091 120.400 -0.084 0.000 2.346 294 D HA 0.087 -1.677 4.640 -10.674 0.000 0.248 294 D C 0.480 176.707 176.300 -0.122 0.000 1.173 294 D CA 0.287 54.209 54.000 -0.129 0.000 0.878 294 D CB 0.065 40.768 40.800 -0.161 0.000 0.919 294 D HN 0.236 nan 8.370 nan 0.000 0.513 295 L N -0.126 121.039 121.223 -0.098 0.000 3.218 295 L HA 0.554 -1.511 4.340 -10.674 0.000 0.279 295 L C 0.394 177.183 176.870 -0.134 0.000 1.287 295 L CA -0.715 54.056 54.840 -0.115 0.000 1.024 295 L CB -0.156 41.861 42.059 -0.070 0.000 1.409 295 L HN 0.140 nan 8.230 nan 0.000 0.580 296 A N -1.251 121.468 122.820 -0.168 0.000 2.621 296 A HA 0.698 -1.386 4.320 -10.674 0.000 0.267 296 A C 0.578 177.910 177.584 -0.420 0.000 1.506 296 A CA -0.308 51.556 52.037 -0.289 0.000 0.873 296 A CB 0.058 18.971 19.000 -0.144 0.000 1.577 296 A HN 0.264 nan 8.150 nan 0.000 0.536 297 S N -0.175 115.185 115.700 -0.565 0.000 2.579 297 S HA 0.140 -1.795 4.470 -10.674 0.000 0.275 297 S C 1.434 175.885 174.600 -0.248 0.000 1.345 297 S CA -0.564 57.375 58.200 -0.434 0.000 1.031 297 S CB 0.511 63.486 63.200 -0.376 0.000 0.892 297 S HN 0.543 nan 8.310 nan 0.000 0.529 298 R N 1.763 122.141 120.500 -0.204 0.000 2.127 298 R HA -0.129 -2.194 4.340 -10.674 0.000 0.238 298 R C 1.656 177.890 176.300 -0.109 0.000 1.134 298 R CA 1.664 57.654 56.100 -0.183 0.000 0.975 298 R CB -0.563 29.642 30.300 -0.158 0.000 0.865 298 R HN 0.830 nan 8.270 nan 0.000 0.447 299 D N -0.385 119.972 120.400 -0.071 0.000 2.201 299 D HA -0.065 -1.829 4.640 -10.674 0.000 0.209 299 D C 1.845 178.105 176.300 -0.067 0.000 0.961 299 D CA 0.555 54.535 54.000 -0.032 0.000 0.861 299 D CB -0.376 40.437 40.800 0.021 0.000 0.997 299 D HN -0.005 nan 8.370 nan 0.000 0.486 300 V N 1.327 121.202 119.914 -0.065 0.000 2.358 300 V HA -0.180 -2.465 4.120 -10.674 0.000 0.246 300 V C 2.924 178.964 176.094 -0.090 0.000 1.047 300 V CA 1.042 63.314 62.300 -0.047 0.000 1.035 300 V CB -0.272 31.552 31.823 0.001 0.000 0.658 300 V HN 0.089 nan 8.190 nan 0.000 0.452 301 V N 1.107 120.953 119.914 -0.114 0.000 2.270 301 V HA -0.214 -2.499 4.120 -10.674 0.000 0.245 301 V C 2.750 178.793 176.094 -0.085 0.000 1.043 301 V CA 2.312 64.543 62.300 -0.117 0.000 1.014 301 V CB -0.889 30.850 31.823 -0.141 0.000 0.645 301 V HN 0.744 nan 8.190 nan 0.000 0.447 302 S N 1.343 116.994 115.700 -0.083 0.000 2.383 302 S HA -0.270 -2.205 4.470 -10.674 0.000 0.227 302 S C 2.092 176.631 174.600 -0.101 0.000 1.026 302 S CA 1.620 59.787 58.200 -0.056 0.000 0.981 302 S CB -0.560 62.623 63.200 -0.028 0.000 0.818 302 S HN 0.640 nan 8.310 nan 0.000 0.472 303 R N 1.278 121.684 120.500 -0.156 0.000 2.115 303 R HA 0.055 -2.010 4.340 -10.674 0.000 0.230 303 R C 2.057 178.306 176.300 -0.086 0.000 1.111 303 R CA 1.564 57.541 56.100 -0.205 0.000 0.976 303 R CB -0.637 29.478 30.300 -0.309 0.000 0.870 303 R HN 0.413 nan 8.270 nan 0.000 0.445 304 S N 0.698 116.274 115.700 -0.207 0.000 2.368 304 S HA -0.091 -2.025 4.470 -10.674 0.000 0.224 304 S C 1.867 176.318 174.600 -0.248 0.000 1.029 304 S CA 1.557 59.439 58.200 -0.530 0.000 0.988 304 S CB -0.132 62.559 63.200 -0.847 0.000 0.838 304 S HN 0.321 nan 8.310 nan 0.000 0.462 305 M N 0.600 120.183 119.600 -0.029 0.000 2.067 305 M HA -0.118 -2.043 4.480 -10.674 0.000 0.260 305 M C 2.615 178.880 176.300 -0.059 0.000 1.069 305 M CA 1.563 56.872 55.300 0.014 0.000 1.117 305 M CB -0.808 31.859 32.600 0.111 0.000 1.334 305 M HN 0.268 nan 8.290 nan 0.000 0.407 306 T N 0.278 114.828 114.554 -0.007 0.000 2.962 306 T HA -0.082 -2.137 4.350 -10.674 0.000 0.270 306 T C 1.508 176.253 174.700 0.076 0.000 1.088 306 T CA 0.806 62.928 62.100 0.037 0.000 1.127 306 T CB -0.026 68.864 68.868 0.037 0.000 0.883 306 T HN 0.160 nan 8.240 nan 0.000 0.493 307 L N 0.835 122.116 121.223 0.096 0.000 2.179 307 L HA 0.196 -1.869 4.340 -10.674 0.000 0.208 307 L C 2.418 179.277 176.870 -0.018 0.000 1.096 307 L CA 1.545 56.421 54.840 0.060 0.000 0.779 307 L CB -0.390 41.758 42.059 0.149 0.000 0.922 307 L HN 0.113 nan 8.230 nan 0.000 0.443 308 E N -0.176 119.971 120.200 -0.088 0.000 2.204 308 E HA -0.176 -2.230 4.350 -10.674 0.000 0.195 308 E C 2.230 178.729 176.600 -0.169 0.000 0.990 308 E CA 1.336 57.627 56.400 -0.182 0.000 0.821 308 E CB -0.129 29.273 29.700 -0.497 0.000 0.750 308 E HN 0.572 nan 8.360 nan 0.000 0.477 309 I N 0.728 121.220 120.570 -0.130 0.000 2.315 309 I HA -0.227 -2.462 4.170 -10.674 0.000 0.248 309 I C 2.402 178.471 176.117 -0.079 0.000 1.117 309 I CA 0.745 61.986 61.300 -0.099 0.000 1.404 309 I CB -0.177 37.793 38.000 -0.049 0.000 1.071 309 I HN -0.063 nan 8.210 nan 0.000 0.419 310 R N 1.036 121.493 120.500 -0.071 0.000 2.096 310 R HA -0.112 -2.177 4.340 -10.674 0.000 0.235 310 R C 1.905 178.158 176.300 -0.079 0.000 1.127 310 R CA 1.060 57.112 56.100 -0.080 0.000 0.968 310 R CB -0.632 29.599 30.300 -0.115 0.000 0.861 310 R HN 0.447 nan 8.270 nan 0.000 0.440 311 E N -0.512 119.643 120.200 -0.076 0.000 2.338 311 E HA -0.033 -2.088 4.350 -10.674 0.000 0.197 311 E C 1.053 177.609 176.600 -0.074 0.000 1.007 311 E CA 0.982 57.342 56.400 -0.068 0.000 0.849 311 E CB 0.052 29.719 29.700 -0.055 0.000 0.774 311 E HN 0.557 nan 8.360 nan 0.000 0.506 312 G N 1.609 110.357 108.800 -0.086 0.000 2.143 312 G HA2 -0.228 -2.673 3.960 -10.674 0.000 0.175 312 G HA3 -0.228 -2.673 3.960 -10.674 0.000 0.175 312 G C 0.542 175.375 174.900 -0.112 0.000 1.004 312 G CA -0.124 44.923 45.100 -0.088 0.000 0.671 312 G HN 0.109 nan 8.290 nan 0.000 0.512 313 R N 1.010 121.427 120.500 -0.138 0.000 3.351 313 R HA 0.466 -1.598 4.340 -10.674 0.000 0.296 313 R C 1.443 177.607 176.300 -0.226 0.000 1.427 313 R CA 0.535 56.529 56.100 -0.176 0.000 1.257 313 R CB 0.120 30.303 30.300 -0.194 0.000 1.378 313 R HN 0.457 nan 8.270 nan 0.000 0.610 314 G N -1.180 107.493 108.800 -0.212 0.000 2.491 314 G HA2 0.075 -2.369 3.960 -10.674 0.000 0.242 314 G HA3 0.075 -2.369 3.960 -10.674 0.000 0.242 314 G C 0.572 175.254 174.900 -0.364 0.000 1.266 314 G CA -0.572 44.362 45.100 -0.275 0.000 0.844 314 G HN 0.436 nan 8.290 nan 0.000 0.571 315 C N 1.359 120.333 119.300 -0.542 0.000 2.689 315 C HA 0.376 -1.569 4.460 -10.674 0.000 0.336 315 C C 1.986 176.645 174.990 -0.552 0.000 1.304 315 C CA 0.424 59.053 59.018 -0.648 0.000 1.860 315 C CB -0.471 26.652 27.740 -1.028 0.000 2.405 315 C HN 0.852 nan 8.230 nan 0.000 0.557 316 G N 1.243 109.598 108.800 -0.742 0.000 2.535 316 G HA2 0.376 -2.068 3.960 -10.674 0.000 0.282 316 G HA3 0.376 -2.068 3.960 -10.674 0.000 0.282 316 G C -1.843 172.966 174.900 -0.152 0.000 1.350 316 G CA -0.269 44.636 45.100 -0.324 0.000 1.039 316 G HN 0.155 nan 8.290 nan 0.000 0.509 317 P HA 0.114 nan 4.420 nan 0.000 0.247 317 P C 0.499 177.812 177.300 0.022 0.000 1.225 317 P CA 0.765 63.874 63.100 0.015 0.000 0.768 317 P CB 0.562 32.297 31.700 0.058 0.000 1.020 318 E N -0.337 119.871 120.200 0.012 0.000 2.541 318 E HA 0.091 -1.964 4.350 -10.674 0.000 0.219 318 E C 0.249 176.836 176.600 -0.022 0.000 0.922 318 E CA 0.052 56.479 56.400 0.045 0.000 1.095 318 E CB -0.004 29.793 29.700 0.163 0.000 1.112 318 E HN -0.289 nan 8.360 nan 0.000 0.516 319 K N 1.340 121.656 120.400 -0.139 0.000 3.117 319 K HA -0.162 -2.247 4.320 -10.674 0.000 0.269 319 K C -0.595 175.924 176.600 -0.135 0.000 1.098 319 K CA 1.183 57.364 56.287 -0.175 0.000 0.785 319 K CB -1.746 30.690 32.500 -0.108 0.000 1.242 319 K HN 0.493 nan 8.250 nan 0.000 0.491 320 D N -1.019 119.304 120.400 -0.127 0.000 2.539 320 D HA 0.017 -1.748 4.640 -10.674 0.000 0.232 320 D C 0.436 176.808 176.300 0.119 0.000 1.256 320 D CA 0.031 54.058 54.000 0.045 0.000 0.810 320 D CB 0.177 41.092 40.800 0.192 0.000 1.090 320 D HN 0.532 nan 8.370 nan 0.000 0.519 321 H N -1.726 117.284 119.070 -0.099 0.000 2.977 321 H HA 0.715 -1.134 4.556 -10.675 0.000 0.350 321 H C -1.059 174.233 175.328 -0.059 0.000 1.238 321 H CA -0.918 55.099 56.048 -0.051 0.000 1.124 321 H CB 1.275 30.974 29.762 -0.104 0.000 1.866 321 H HN -0.200 nan 8.280 nan 0.000 0.550 322 V N 0.365 120.365 119.914 0.144 0.000 3.204 322 V HA 0.321 -1.963 4.120 -10.674 0.000 0.316 322 V C -0.936 175.395 176.094 0.395 0.000 1.160 322 V CA -0.793 61.572 62.300 0.109 0.000 1.044 322 V CB 1.773 33.664 31.823 0.113 0.000 1.136 322 V HN 0.600 nan 8.190 nan 0.000 0.455 323 Y N 0.801 121.179 120.300 0.130 0.000 2.468 323 Y HA 0.654 -1.201 4.550 -10.675 0.000 0.342 323 Y C -0.228 175.753 175.900 0.135 0.000 1.021 323 Y CA -1.678 56.496 58.100 0.124 0.000 1.079 323 Y CB 1.798 40.315 38.460 0.096 0.000 1.226 323 Y HN 0.347 nan 8.280 nan 0.000 0.460 324 L N 3.791 125.136 121.223 0.204 0.000 2.342 324 L HA 0.450 -1.615 4.340 -10.674 0.000 0.276 324 L C -0.835 176.087 176.870 0.087 0.000 0.997 324 L CA -0.615 54.303 54.840 0.130 0.000 0.838 324 L CB 1.378 43.489 42.059 0.087 0.000 1.224 324 L HN 0.691 nan 8.230 nan 0.000 0.416 325 Q N 4.057 123.934 119.800 0.128 0.000 2.296 325 Q HA 0.377 -1.688 4.340 -10.674 0.000 0.257 325 Q C -0.367 175.679 176.000 0.077 0.000 0.942 325 Q CA -0.244 55.644 55.803 0.142 0.000 0.939 325 Q CB 1.402 30.288 28.738 0.246 0.000 1.198 325 Q HN 0.830 nan 8.270 nan 0.000 0.429 326 L N 2.913 124.137 121.223 0.003 0.000 2.966 326 L HA 0.139 -1.925 4.340 -10.674 0.000 0.262 326 L C 1.393 178.174 176.870 -0.149 0.000 1.165 326 L CA -0.122 54.637 54.840 -0.134 0.000 0.978 326 L CB -0.014 41.999 42.059 -0.076 0.000 1.337 326 L HN 0.806 nan 8.230 nan 0.000 0.563 327 H N 1.179 120.194 119.070 -0.093 0.000 2.353 327 H HA -0.258 -2.107 4.556 -10.674 0.000 0.298 327 H C 2.334 177.647 175.328 -0.026 0.000 1.103 327 H CA 2.520 58.551 56.048 -0.028 0.000 1.293 327 H CB 0.050 29.839 29.762 0.044 0.000 1.372 327 H HN 0.486 nan 8.280 nan 0.000 0.501 328 H N -0.772 118.240 119.070 -0.097 0.000 2.502 328 H HA 0.035 -1.813 4.556 -10.675 0.000 0.283 328 H C 0.494 175.759 175.328 -0.104 0.000 1.015 328 H CA -0.057 55.904 56.048 -0.145 0.000 1.298 328 H CB -0.281 29.494 29.762 0.022 0.000 1.411 328 H HN 0.221 nan 8.280 nan 0.000 0.556 329 L N 3.927 124.894 121.223 -0.427 0.000 2.461 329 L HA 0.163 -1.901 4.340 -10.674 0.000 0.272 329 L C -1.803 174.987 176.870 -0.133 0.000 1.197 329 L CA -1.776 52.932 54.840 -0.220 0.000 0.836 329 L CB 0.475 42.391 42.059 -0.239 0.000 1.105 329 L HN 0.163 nan 8.230 nan 0.000 0.477 330 P HA 0.120 nan 4.420 nan 0.000 0.268 330 P C -2.214 175.052 177.300 -0.058 0.000 1.205 330 P CA -1.233 61.833 63.100 -0.056 0.000 0.771 330 P CB 0.085 31.768 31.700 -0.029 0.000 0.858 331 P HA -0.142 nan 4.420 nan 0.000 0.220 331 P C 1.430 178.709 177.300 -0.035 0.000 1.148 331 P CA 1.367 64.440 63.100 -0.045 0.000 0.803 331 P CB 0.012 31.690 31.700 -0.037 0.000 0.782 332 E N -0.122 120.060 120.200 -0.030 0.000 2.097 332 E HA -0.257 -2.311 4.350 -10.674 0.000 0.196 332 E C 2.048 178.631 176.600 -0.028 0.000 1.000 332 E CA 1.291 57.676 56.400 -0.025 0.000 0.804 332 E CB -0.418 29.271 29.700 -0.019 0.000 0.740 332 E HN 0.443 nan 8.360 nan 0.000 0.454 333 Q N 0.212 119.996 119.800 -0.027 0.000 2.137 333 Q HA -0.037 -2.102 4.340 -10.674 0.000 0.198 333 Q C 2.420 178.401 176.000 -0.032 0.000 0.960 333 Q CA 0.418 56.206 55.803 -0.025 0.000 0.847 333 Q CB 0.106 28.836 28.738 -0.012 0.000 0.915 333 Q HN 0.211 nan 8.270 nan 0.000 0.448 334 L N 0.018 121.218 121.223 -0.037 0.000 2.141 334 L HA -0.120 -2.185 4.340 -10.674 0.000 0.209 334 L C 2.417 179.267 176.870 -0.034 0.000 1.094 334 L CA 0.934 55.752 54.840 -0.037 0.000 0.763 334 L CB -0.425 41.608 42.059 -0.044 0.000 0.908 334 L HN 0.247 nan 8.230 nan 0.000 0.437 335 A N -0.541 122.257 122.820 -0.036 0.000 1.897 335 A HA -0.073 -2.157 4.320 -10.674 0.000 0.215 335 A C 2.267 179.825 177.584 -0.044 0.000 1.181 335 A CA 1.376 53.391 52.037 -0.036 0.000 0.620 335 A CB -0.519 18.462 19.000 -0.033 0.000 0.821 335 A HN 0.168 nan 8.150 nan 0.000 0.443 336 V N -0.354 119.528 119.914 -0.052 0.000 2.446 336 V HA -0.082 -2.367 4.120 -10.674 0.000 0.244 336 V C 2.601 178.637 176.094 -0.096 0.000 1.039 336 V CA 1.569 63.824 62.300 -0.074 0.000 1.045 336 V CB -0.645 31.130 31.823 -0.081 0.000 0.681 336 V HN 0.404 nan 8.190 nan 0.000 0.459 337 R N -0.292 120.159 120.500 -0.081 0.000 2.128 337 R HA 0.308 -1.757 4.340 -10.674 0.000 0.211 337 R C 0.667 176.950 176.300 -0.027 0.000 1.067 337 R CA 0.667 56.721 56.100 -0.077 0.000 1.010 337 R CB 0.075 30.351 30.300 -0.039 0.000 0.922 337 R HN 0.368 nan 8.270 nan 0.000 0.457 338 L N 2.246 123.458 121.223 -0.019 0.000 2.594 338 L HA 0.289 -1.776 4.340 -10.674 0.000 0.245 338 L C -1.949 174.912 176.870 -0.015 0.000 1.460 338 L CA -1.082 53.755 54.840 -0.005 0.000 0.865 338 L CB 2.030 44.092 42.059 0.006 0.000 1.131 338 L HN -0.106 nan 8.230 nan 0.000 0.506 339 P HA 0.047 nan 4.420 nan 0.000 0.239 339 P C 1.438 178.723 177.300 -0.024 0.000 1.188 339 P CA 0.532 63.615 63.100 -0.028 0.000 0.794 339 P CB 0.597 32.274 31.700 -0.038 0.000 0.937 340 G N 1.514 110.300 108.800 -0.023 0.000 2.403 340 G HA2 -0.172 -2.616 3.960 -10.674 0.000 0.216 340 G HA3 -0.172 -2.616 3.960 -10.674 0.000 0.216 340 G C 1.477 176.376 174.900 -0.000 0.000 1.154 340 G CA 0.741 45.828 45.100 -0.021 0.000 0.784 340 G HN 0.396 nan 8.290 nan 0.000 0.538 341 I N -1.837 118.736 120.570 0.004 0.000 2.584 341 I HA 0.128 -2.106 4.170 -10.674 0.000 0.255 341 I C 2.524 178.650 176.117 0.014 0.000 1.145 341 I CA 1.119 62.426 61.300 0.012 0.000 1.462 341 I CB -0.234 37.771 38.000 0.009 0.000 1.102 341 I HN -0.083 nan 8.210 nan 0.000 0.433 342 S N 1.032 116.734 115.700 0.003 0.000 2.383 342 S HA -0.180 -2.114 4.470 -10.674 0.000 0.229 342 S C 1.889 176.493 174.600 0.005 0.000 1.030 342 S CA 1.930 60.129 58.200 -0.001 0.000 1.002 342 S CB -0.320 62.873 63.200 -0.012 0.000 0.829 342 S HN 0.608 nan 8.310 nan 0.000 0.467 343 E N 0.331 120.535 120.200 0.007 0.000 2.042 343 E HA -0.072 -2.127 4.350 -10.674 0.000 0.189 343 E C 2.430 179.052 176.600 0.038 0.000 0.974 343 E CA 1.459 57.864 56.400 0.009 0.000 0.806 343 E CB -0.288 29.409 29.700 -0.004 0.000 0.769 343 E HN 0.649 nan 8.360 nan 0.000 0.451 344 T N -0.559 114.038 114.554 0.073 0.000 2.962 344 T HA 0.007 -2.047 4.350 -10.674 0.000 0.270 344 T C 1.963 176.784 174.700 0.202 0.000 1.088 344 T CA 0.839 63.046 62.100 0.178 0.000 1.127 344 T CB -0.082 68.898 68.868 0.186 0.000 0.883 344 T HN 0.133 nan 8.240 nan 0.000 0.493 345 A N 1.473 124.355 122.820 0.102 0.000 1.897 345 A HA 0.182 -1.903 4.320 -10.674 0.000 0.215 345 A C 2.296 179.925 177.584 0.075 0.000 1.181 345 A CA 1.663 53.750 52.037 0.083 0.000 0.620 345 A CB -0.651 18.371 19.000 0.038 0.000 0.821 345 A HN 0.486 nan 8.150 nan 0.000 0.443 346 M N -0.058 119.569 119.600 0.046 0.000 2.200 346 M HA 0.087 -1.838 4.480 -10.674 0.000 0.265 346 M C 1.707 178.009 176.300 0.003 0.000 1.066 346 M CA 1.427 56.739 55.300 0.020 0.000 1.127 346 M CB -0.628 31.974 32.600 0.002 0.000 1.379 346 M HN 0.341 nan 8.290 nan 0.000 0.420 347 I N -0.964 119.602 120.570 -0.008 0.000 2.226 347 I HA -0.265 -2.499 4.170 -10.674 0.000 0.245 347 I C 1.608 177.587 176.117 -0.229 0.000 1.100 347 I CA 1.371 62.590 61.300 -0.134 0.000 1.374 347 I CB -0.307 37.585 38.000 -0.179 0.000 1.057 347 I HN 0.206 nan 8.210 nan 0.000 0.413 348 F N -0.196 119.751 119.950 -0.005 0.000 2.298 348 F HA 0.162 -1.715 4.527 -10.673 0.000 0.282 348 F C 2.420 178.223 175.800 0.005 0.000 1.045 348 F CA 0.902 58.901 58.000 -0.003 0.000 1.280 348 F CB -0.515 38.481 39.000 -0.008 0.000 1.114 348 F HN -0.149 nan 8.300 nan 0.000 0.546 349 A N -0.187 122.757 122.820 0.206 0.000 2.169 349 A HA 0.359 -1.725 4.320 -10.674 0.000 0.212 349 A C 1.655 179.284 177.584 0.074 0.000 1.153 349 A CA 0.758 52.870 52.037 0.124 0.000 0.756 349 A CB -1.259 17.799 19.000 0.096 0.000 0.813 349 A HN 0.645 nan 8.150 nan 0.000 0.471 350 G N -0.899 107.933 108.800 0.054 0.000 2.298 350 G HA2 -0.091 -2.536 3.960 -10.674 0.000 0.287 350 G HA3 -0.091 -2.536 3.960 -10.674 0.000 0.287 350 G C -0.236 174.675 174.900 0.019 0.000 1.075 350 G CA 0.328 45.443 45.100 0.025 0.000 0.960 350 G HN 0.960 nan 8.290 nan 0.000 0.502 351 V N 0.405 120.329 119.914 0.017 0.000 2.525 351 V HA 0.428 -1.856 4.120 -10.674 0.000 0.299 351 V C -0.259 175.837 176.094 0.003 0.000 1.034 351 V CA -0.912 61.390 62.300 0.003 0.000 0.863 351 V CB 2.000 33.816 31.823 -0.012 0.000 0.999 351 V HN 0.455 nan 8.190 nan 0.000 0.423 352 D N 3.266 123.667 120.400 0.002 0.000 2.343 352 D HA 0.163 -1.601 4.640 -10.674 0.000 0.255 352 D C 1.143 177.447 176.300 0.007 0.000 1.187 352 D CA -0.012 53.991 54.000 0.005 0.000 0.875 352 D CB 1.999 42.805 40.800 0.010 0.000 1.136 352 D HN 0.365 nan 8.370 nan 0.000 0.469 353 V N 2.041 121.956 119.914 0.002 0.000 2.515 353 V HA -0.129 -2.414 4.120 -10.674 0.000 0.250 353 V C 2.001 178.100 176.094 0.007 0.000 1.058 353 V CA 1.852 64.151 62.300 -0.001 0.000 1.064 353 V CB -1.207 30.610 31.823 -0.011 0.000 0.675 353 V HN 0.623 nan 8.190 nan 0.000 0.461 354 T N -1.267 113.290 114.554 0.006 0.000 3.088 354 T HA 0.050 -2.004 4.350 -10.674 0.000 0.259 354 T C 1.656 176.390 174.700 0.057 0.000 1.122 354 T CA 1.385 63.483 62.100 -0.004 0.000 1.095 354 T CB -0.131 68.724 68.868 -0.022 0.000 0.930 354 T HN 0.646 nan 8.240 nan 0.000 0.508 355 K N 0.017 120.485 120.400 0.113 0.000 2.403 355 K HA 0.177 -1.908 4.320 -10.674 0.000 0.199 355 K C 0.429 177.144 176.600 0.191 0.000 1.199 355 K CA 0.167 56.580 56.287 0.209 0.000 0.924 355 K CB 0.667 33.229 32.500 0.102 0.000 1.137 355 K HN 0.413 nan 8.250 nan 0.000 0.510 356 E N 1.706 121.950 120.200 0.073 0.000 2.343 356 E HA 0.344 -1.710 4.350 -10.674 0.000 0.270 356 E C -3.030 173.545 176.600 -0.043 0.000 0.895 356 E CA -2.554 53.836 56.400 -0.018 0.000 0.767 356 E CB 2.049 31.720 29.700 -0.050 0.000 1.248 356 E HN -0.226 nan 8.360 nan 0.000 0.440 357 P HA 0.194 nan 4.420 nan 0.000 0.273 357 P C 0.010 177.155 177.300 -0.258 0.000 1.250 357 P CA -0.390 62.618 63.100 -0.152 0.000 0.793 357 P CB 0.608 32.202 31.700 -0.177 0.000 1.011 358 I N 1.198 121.666 120.570 -0.170 0.000 2.385 358 I HA 0.242 -1.993 4.170 -10.674 0.000 0.294 358 I C -2.139 173.904 176.117 -0.123 0.000 0.988 358 I CA -3.233 57.994 61.300 -0.121 0.000 1.265 358 I CB 0.506 38.492 38.000 -0.023 0.000 1.388 358 I HN 0.136 nan 8.210 nan 0.000 0.480 359 P HA 0.169 nan 4.420 nan 0.000 0.276 359 P C -0.525 176.882 177.300 0.179 0.000 1.264 359 P CA 0.060 63.247 63.100 0.145 0.000 0.769 359 P CB 0.829 32.612 31.700 0.139 0.000 0.840 360 V N 2.355 122.418 119.914 0.248 0.000 2.864 360 V HA 0.794 -1.490 4.120 -10.674 0.000 0.314 360 V C -0.818 175.419 176.094 0.238 0.000 1.073 360 V CA -1.260 61.162 62.300 0.203 0.000 0.956 360 V CB 2.169 34.093 31.823 0.168 0.000 1.023 360 V HN 0.349 nan 8.190 nan 0.000 0.435 361 L N 3.647 124.990 121.223 0.200 0.000 2.493 361 L HA 0.772 -1.292 4.340 -10.674 0.000 0.265 361 L C -2.933 174.033 176.870 0.161 0.000 0.954 361 L CA -1.587 53.374 54.840 0.201 0.000 0.844 361 L CB 2.698 44.910 42.059 0.255 0.000 1.302 361 L HN 0.522 nan 8.230 nan 0.000 0.405 362 P HA 0.270 nan 4.420 nan 0.000 0.265 362 P C -1.210 176.218 177.300 0.212 0.000 1.222 362 P CA 0.111 63.301 63.100 0.150 0.000 0.767 362 P CB 0.379 32.120 31.700 0.068 0.000 0.801 363 T N -0.651 114.054 114.554 0.251 0.000 2.883 363 T HA 0.411 -1.644 4.350 -10.674 0.000 0.296 363 T C -0.133 174.651 174.700 0.139 0.000 1.117 363 T CA -0.948 61.300 62.100 0.247 0.000 1.006 363 T CB 0.493 69.425 68.868 0.105 0.000 1.191 363 T HN -0.058 nan 8.240 nan 0.000 0.508 364 V N 2.259 122.097 119.914 -0.127 0.000 2.720 364 V HA 0.133 -2.151 4.120 -10.674 0.000 0.307 364 V C 1.098 177.102 176.094 -0.150 0.000 1.071 364 V CA 1.020 63.043 62.300 -0.462 0.000 1.199 364 V CB 0.091 31.534 31.823 -0.632 0.000 0.900 364 V HN 1.202 nan 8.190 nan 0.000 0.494 365 H N 3.530 122.456 119.070 -0.241 0.000 1.837 365 H HA 0.288 -1.561 4.556 -10.675 0.000 0.168 365 H C -0.337 174.947 175.328 -0.073 0.000 0.966 365 H CA 0.066 56.066 56.048 -0.080 0.000 1.037 365 H CB 0.381 30.192 29.762 0.082 0.000 1.008 365 H HN 0.542 nan 8.280 nan 0.000 0.340 366 Y N 1.052 121.231 120.300 -0.201 0.000 2.562 366 Y HA 0.446 -1.410 4.550 -10.677 0.000 0.343 366 Y C -1.293 174.427 175.900 -0.300 0.000 1.025 366 Y CA -1.192 56.742 58.100 -0.276 0.000 1.082 366 Y CB 1.585 39.982 38.460 -0.106 0.000 1.264 366 Y HN 0.264 nan 8.280 nan 0.000 0.478 367 N N 5.752 123.840 118.700 -1.019 0.000 2.696 367 N HA 0.176 -1.489 4.740 -10.674 0.000 0.246 367 N C 0.574 175.723 175.510 -0.602 0.000 1.057 367 N CA -0.421 52.174 53.050 -0.758 0.000 0.867 367 N CB 0.942 38.782 38.487 -1.078 0.000 1.141 367 N HN 0.594 nan 8.380 nan 0.000 0.517 368 M N -0.823 118.735 119.600 -0.070 0.000 2.279 368 M HA 0.069 -1.855 4.480 -10.674 0.000 0.264 368 M C 1.038 177.408 176.300 0.118 0.000 1.062 368 M CA 0.741 56.166 55.300 0.208 0.000 1.099 368 M CB -0.986 31.785 32.600 0.284 0.000 1.394 368 M HN 0.329 nan 8.290 nan 0.000 0.426 369 G N 0.048 108.922 108.800 0.124 0.000 2.653 369 G HA2 0.495 -1.950 3.960 -10.674 0.000 0.265 369 G HA3 0.495 -1.950 3.960 -10.674 0.000 0.265 369 G C 0.229 175.188 174.900 0.098 0.000 1.237 369 G CA 0.183 45.367 45.100 0.140 0.000 0.946 369 G HN 0.681 nan 8.290 nan 0.000 0.522 370 G N -1.497 107.336 108.800 0.054 0.000 2.366 370 G HA2 0.163 -2.282 3.960 -10.674 0.000 0.190 370 G HA3 0.163 -2.282 3.960 -10.674 0.000 0.190 370 G C -0.818 174.045 174.900 -0.060 0.000 1.299 370 G CA -0.508 44.597 45.100 0.009 0.000 1.056 370 G HN 0.841 nan 8.290 nan 0.000 0.468 371 I N 2.814 123.340 120.570 -0.073 0.000 2.396 371 I HA 0.306 -1.929 4.170 -10.674 0.000 0.289 371 I C -2.104 173.944 176.117 -0.115 0.000 1.056 371 I CA -1.558 59.684 61.300 -0.098 0.000 1.365 371 I CB 1.336 39.284 38.000 -0.087 0.000 1.407 371 I HN 0.065 nan 8.210 nan 0.000 0.509 372 P HA 0.044 nan 4.420 nan 0.000 0.263 372 P C -0.792 176.431 177.300 -0.128 0.000 1.195 372 P CA 0.321 63.335 63.100 -0.143 0.000 0.762 372 P CB 0.449 32.071 31.700 -0.130 0.000 0.799 373 T N 2.339 116.808 114.554 -0.141 0.000 2.912 373 T HA 0.275 -1.780 4.350 -10.674 0.000 0.299 373 T C 0.009 174.640 174.700 -0.115 0.000 1.052 373 T CA -0.734 61.285 62.100 -0.134 0.000 0.996 373 T CB 1.294 70.065 68.868 -0.161 0.000 1.070 373 T HN 0.228 nan 8.240 nan 0.000 0.465 374 N N 0.036 118.677 118.700 -0.099 0.000 2.288 374 N HA 0.103 -1.561 4.740 -10.674 0.000 0.237 374 N C 1.030 176.507 175.510 -0.055 0.000 1.311 374 N CA -0.151 52.852 53.050 -0.078 0.000 0.909 374 N CB 0.424 38.820 38.487 -0.152 0.000 1.167 374 N HN 0.824 nan 8.380 nan 0.000 0.476 375 Y N -0.403 119.870 120.300 -0.045 0.000 2.439 375 Y HA 0.110 -1.746 4.550 -10.676 0.000 0.292 375 Y C 1.544 177.346 175.900 -0.163 0.000 1.130 375 Y CA 0.917 58.996 58.100 -0.035 0.000 1.254 375 Y CB 0.007 38.441 38.460 -0.045 0.000 1.000 375 Y HN 0.331 nan 8.280 nan 0.000 0.554 376 K N 0.173 120.091 120.400 -0.804 0.000 2.366 376 K HA 0.171 -1.913 4.320 -10.674 0.000 0.198 376 K C 1.306 177.809 176.600 -0.163 0.000 1.044 376 K CA 0.777 56.703 56.287 -0.601 0.000 0.973 376 K CB -0.147 32.004 32.500 -0.582 0.000 0.767 376 K HN 0.666 nan 8.250 nan 0.000 0.475 377 G N 1.279 110.042 108.800 -0.062 0.000 2.179 377 G HA2 -0.229 -2.674 3.960 -10.674 0.000 0.220 377 G HA3 -0.229 -2.674 3.960 -10.674 0.000 0.220 377 G C -0.338 174.649 174.900 0.145 0.000 0.990 377 G CA -0.393 44.758 45.100 0.086 0.000 0.646 377 G HN 0.300 nan 8.290 nan 0.000 0.517 378 Q N 0.452 120.243 119.800 -0.016 0.000 2.314 378 Q HA 0.494 -1.570 4.340 -10.674 0.000 0.258 378 Q C 0.385 176.249 176.000 -0.228 0.000 0.954 378 Q CA -0.364 55.269 55.803 -0.282 0.000 0.890 378 Q CB 2.207 30.782 28.738 -0.270 0.000 1.210 378 Q HN 0.159 nan 8.270 nan 0.000 0.410 379 V N 4.497 124.239 119.914 -0.285 0.000 2.555 379 V HA 0.098 -2.187 4.120 -10.674 0.000 0.286 379 V C 0.132 176.136 176.094 -0.148 0.000 1.044 379 V CA 0.022 62.212 62.300 -0.184 0.000 1.026 379 V CB 0.367 32.088 31.823 -0.170 0.000 0.981 379 V HN 0.555 nan 8.190 nan 0.000 0.480 380 L N 6.651 127.812 121.223 -0.103 0.000 2.307 380 L HA 0.645 -1.420 4.340 -10.674 0.000 0.284 380 L C 0.321 177.174 176.870 -0.028 0.000 1.023 380 L CA -0.541 54.265 54.840 -0.057 0.000 0.810 380 L CB 1.398 43.439 42.059 -0.029 0.000 1.231 380 L HN 0.724 nan 8.230 nan 0.000 0.423 381 R N 0.256 120.759 120.500 0.004 0.000 2.668 381 R HA 0.534 -1.530 4.340 -10.674 0.000 0.279 381 R C -0.964 175.414 176.300 0.130 0.000 0.976 381 R CA -0.897 55.235 56.100 0.054 0.000 0.978 381 R CB 1.383 31.704 30.300 0.035 0.000 1.133 381 R HN 0.459 nan 8.270 nan 0.000 0.484 382 H N 1.442 120.552 119.070 0.067 0.000 2.638 382 H HA 0.433 -1.412 4.556 -10.669 0.000 0.303 382 H C -1.455 173.923 175.328 0.083 0.000 1.034 382 H CA -0.428 55.667 56.048 0.079 0.000 1.225 382 H CB 1.168 30.993 29.762 0.105 0.000 1.394 382 H HN 0.387 nan 8.280 nan 0.000 0.477 383 V N 5.762 125.573 119.914 -0.172 0.000 2.577 383 V HA 0.188 -2.096 4.120 -10.674 0.000 0.303 383 V C 0.486 176.457 176.094 -0.205 0.000 1.042 383 V CA -0.987 61.233 62.300 -0.133 0.000 0.872 383 V CB 1.587 33.370 31.823 -0.068 0.000 0.998 383 V HN 1.123 nan 8.190 nan 0.000 0.423 384 N N 3.606 122.210 118.700 -0.160 0.000 2.754 384 N HA -0.203 -1.867 4.740 -10.674 0.000 0.248 384 N C 1.007 176.401 175.510 -0.193 0.000 1.093 384 N CA 0.911 53.878 53.050 -0.138 0.000 0.699 384 N CB -0.576 37.850 38.487 -0.101 0.000 1.016 384 N HN 1.653 nan 8.380 nan 0.000 0.552 385 G N -0.519 108.104 108.800 -0.296 0.000 2.187 385 G HA2 -0.329 -2.773 3.960 -10.674 0.000 0.261 385 G HA3 -0.329 -2.773 3.960 -10.674 0.000 0.261 385 G C -0.175 174.491 174.900 -0.390 0.000 1.000 385 G CA 1.112 46.043 45.100 -0.282 0.000 0.718 385 G HN 0.658 nan 8.290 nan 0.000 0.519 386 Q N -0.255 119.221 119.800 -0.540 0.000 2.394 386 Q HA 0.481 -1.583 4.340 -10.674 0.000 0.273 386 Q C -1.122 174.766 176.000 -0.188 0.000 1.089 386 Q CA -1.096 54.561 55.803 -0.243 0.000 0.812 386 Q CB 1.505 30.160 28.738 -0.138 0.000 1.353 386 Q HN 0.198 nan 8.270 nan 0.000 0.438 387 D N 2.019 122.431 120.400 0.020 0.000 2.372 387 D HA 0.120 -1.644 4.640 -10.674 0.000 0.243 387 D C -0.675 175.632 176.300 0.011 0.000 1.121 387 D CA 0.488 54.535 54.000 0.079 0.000 0.898 387 D CB 0.752 41.610 40.800 0.098 0.000 1.202 387 D HN 0.253 nan 8.370 nan 0.000 0.428 388 Q N 0.651 120.456 119.800 0.008 0.000 2.320 388 Q HA 0.359 -1.705 4.340 -10.674 0.000 0.272 388 Q C -1.754 174.224 176.000 -0.036 0.000 1.023 388 Q CA -0.771 55.019 55.803 -0.021 0.000 0.855 388 Q CB 1.890 30.610 28.738 -0.030 0.000 1.367 388 Q HN 0.205 nan 8.270 nan 0.000 0.406 389 V N 3.101 122.981 119.914 -0.056 0.000 2.488 389 V HA 0.206 -2.079 4.120 -10.674 0.000 0.277 389 V C 0.089 176.121 176.094 -0.104 0.000 1.046 389 V CA -0.510 61.733 62.300 -0.096 0.000 0.986 389 V CB 1.160 32.919 31.823 -0.108 0.000 0.989 389 V HN 0.551 nan 8.190 nan 0.000 0.475 390 V N 8.376 128.212 119.914 -0.131 0.000 2.439 390 V HA 0.187 -2.097 4.120 -10.674 0.000 0.271 390 V C -2.027 173.966 176.094 -0.168 0.000 1.040 390 V CA -1.377 60.847 62.300 -0.127 0.000 1.002 390 V CB 0.816 32.566 31.823 -0.122 0.000 1.000 390 V HN 0.787 nan 8.190 nan 0.000 0.477 391 P HA 0.293 nan 4.420 nan 0.000 0.271 391 P C 0.789 178.024 177.300 -0.109 0.000 1.220 391 P CA 0.663 63.695 63.100 -0.112 0.000 0.768 391 P CB 0.839 32.500 31.700 -0.064 0.000 0.848 392 G N 1.674 110.407 108.800 -0.111 0.000 2.198 392 G HA2 -0.169 -2.614 3.960 -10.674 0.000 0.257 392 G HA3 -0.169 -2.614 3.960 -10.674 0.000 0.257 392 G C -0.566 174.291 174.900 -0.072 0.000 1.042 392 G CA -0.076 44.995 45.100 -0.048 0.000 0.791 392 G HN 0.594 nan 8.290 nan 0.000 0.502 393 L N -0.391 120.700 121.223 -0.220 0.000 2.516 393 L HA 0.832 -1.232 4.340 -10.674 0.000 0.267 393 L C -1.140 175.491 176.870 -0.398 0.000 0.957 393 L CA -1.789 52.935 54.840 -0.193 0.000 0.860 393 L CB 1.275 43.240 42.059 -0.155 0.000 1.265 393 L HN 0.136 nan 8.230 nan 0.000 0.403 394 Y N 2.939 123.185 120.300 -0.090 0.000 2.576 394 Y HA 0.919 -0.935 4.550 -10.674 0.000 0.346 394 Y C 0.000 175.848 175.900 -0.086 0.000 1.018 394 Y CA -0.424 57.619 58.100 -0.094 0.000 1.050 394 Y CB 2.484 40.882 38.460 -0.104 0.000 1.280 394 Y HN 0.765 nan 8.280 nan 0.000 0.474 395 A N 0.813 123.683 122.820 0.082 0.000 2.549 395 A HA 0.865 -1.219 4.320 -10.674 0.000 0.297 395 A C -1.425 176.169 177.584 0.016 0.000 1.061 395 A CA -0.677 51.370 52.037 0.017 0.000 0.690 395 A CB 0.716 19.696 19.000 -0.033 0.000 1.287 395 A HN 1.139 nan 8.150 nan 0.000 0.402 396 C N -0.167 119.143 119.300 0.017 0.000 2.985 396 C HA 1.018 -0.927 4.460 -10.674 0.000 0.332 396 C C 0.558 175.585 174.990 0.061 0.000 1.164 396 C CA 0.017 59.064 59.018 0.049 0.000 1.347 396 C CB 0.857 28.660 27.740 0.104 0.000 1.764 396 C HN 3.003 nan 8.230 nan 0.000 0.489 397 G N 1.726 110.584 108.800 0.096 0.000 2.451 397 G HA2 -0.102 -2.546 3.960 -10.674 0.000 0.208 397 G HA3 -0.102 -2.546 3.960 -10.674 0.000 0.208 397 G C 0.381 175.357 174.900 0.127 0.000 1.248 397 G CA 0.573 45.755 45.100 0.138 0.000 0.989 397 G HN 1.182 nan 8.290 nan 0.000 0.559 398 E N 0.136 120.391 120.200 0.092 0.000 2.150 398 E HA 0.054 -2.001 4.350 -10.674 0.000 0.193 398 E C 2.784 179.299 176.600 -0.141 0.000 0.985 398 E CA 1.850 58.201 56.400 -0.081 0.000 0.814 398 E CB -0.349 29.231 29.700 -0.199 0.000 0.752 398 E HN 0.939 nan 8.360 nan 0.000 0.466 399 A N 1.384 124.165 122.820 -0.065 0.000 1.883 399 A HA -0.009 -2.093 4.320 -10.674 0.000 0.217 399 A C 1.518 179.081 177.584 -0.035 0.000 1.186 399 A CA 1.446 53.455 52.037 -0.046 0.000 0.624 399 A CB -0.658 18.322 19.000 -0.034 0.000 0.822 399 A HN 0.386 nan 8.150 nan 0.000 0.444 400 A N -2.078 120.722 122.820 -0.033 0.000 2.249 400 A HA 0.467 -1.617 4.320 -10.674 0.000 0.281 400 A C 0.163 177.714 177.584 -0.055 0.000 1.127 400 A CA 0.356 52.361 52.037 -0.054 0.000 0.833 400 A CB 0.217 19.174 19.000 -0.071 0.000 1.140 400 A HN 1.075 nan 8.150 nan 0.000 0.502 401 C N -0.155 119.089 119.300 -0.094 0.000 3.287 401 C HA 0.607 -1.338 4.460 -10.674 0.000 0.260 401 C C 1.126 176.006 174.990 -0.184 0.000 1.133 401 C CA -0.076 58.878 59.018 -0.107 0.000 1.402 401 C CB -0.626 27.060 27.740 -0.089 0.000 1.832 401 C HN 1.032 nan 8.230 nan 0.000 0.509 402 A N 2.105 124.775 122.820 -0.250 0.000 2.206 402 A HA 0.262 -1.823 4.320 -10.674 0.000 0.211 402 A C 1.357 178.804 177.584 -0.229 0.000 1.158 402 A CA 1.061 52.922 52.037 -0.293 0.000 0.761 402 A CB -0.331 18.348 19.000 -0.535 0.000 0.801 402 A HN 1.565 nan 8.150 nan 0.000 0.473 403 S N -1.577 114.008 115.700 -0.191 0.000 3.524 403 S HA -0.146 -2.080 4.470 -10.674 0.000 0.377 403 S C 0.826 175.352 174.600 -0.124 0.000 0.949 403 S CA 0.570 58.699 58.200 -0.118 0.000 1.264 403 S CB -1.580 61.547 63.200 -0.121 0.000 0.918 403 S HN 0.859 nan 8.310 nan 0.000 0.517 404 V N 1.103 120.865 119.914 -0.253 0.000 3.129 404 V HA -0.049 -2.334 4.120 -10.674 0.000 0.259 404 V C 1.729 177.605 176.094 -0.363 0.000 1.116 404 V CA 1.498 63.632 62.300 -0.277 0.000 1.127 404 V CB -0.159 31.502 31.823 -0.269 0.000 0.742 404 V HN 0.827 nan 8.190 nan 0.000 0.474 405 H N -0.755 118.297 119.070 -0.029 0.000 2.639 405 H HA 0.355 -1.494 4.556 -10.676 0.000 0.267 405 H C 1.727 177.008 175.328 -0.078 0.000 0.958 405 H CA 0.739 56.754 56.048 -0.055 0.000 1.221 405 H CB 0.396 30.144 29.762 -0.023 0.000 1.446 405 H HN 0.472 nan 8.280 nan 0.000 0.512 406 G N 1.365 110.171 108.800 0.010 0.000 2.601 406 G HA2 -0.424 -2.869 3.960 -10.674 0.000 0.306 406 G HA3 -0.424 -2.869 3.960 -10.674 0.000 0.306 406 G C 1.341 176.111 174.900 -0.216 0.000 1.172 406 G CA 1.591 46.647 45.100 -0.074 0.000 0.966 406 G HN 0.612 nan 8.290 nan 0.000 0.542 407 A N 0.085 122.745 122.820 -0.267 0.000 2.140 407 A HA 0.494 -1.591 4.320 -10.674 0.000 0.209 407 A C 0.915 178.494 177.584 -0.010 0.000 1.181 407 A CA 1.553 53.332 52.037 -0.431 0.000 0.824 407 A CB 0.044 18.858 19.000 -0.311 0.000 0.879 407 A HN 1.218 nan 8.150 nan 0.000 0.480 408 N N 0.055 118.761 118.700 0.010 0.000 2.542 408 N HA 0.124 -1.540 4.740 -10.674 0.000 0.288 408 N C -1.253 174.264 175.510 0.011 0.000 1.115 408 N CA -0.465 52.616 53.050 0.052 0.000 0.924 408 N CB 1.305 39.822 38.487 0.051 0.000 1.526 408 N HN 0.271 nan 8.380 nan 0.000 0.515 409 R N 3.736 124.232 120.500 -0.007 0.000 2.370 409 R HA 0.132 -1.933 4.340 -10.674 0.000 0.309 409 R C -0.229 176.011 176.300 -0.101 0.000 1.059 409 R CA -0.372 55.659 56.100 -0.115 0.000 0.981 409 R CB 0.397 30.385 30.300 -0.520 0.000 0.972 409 R HN 0.494 nan 8.270 nan 0.000 0.437 410 L N 4.306 125.501 121.223 -0.047 0.000 2.453 410 L HA 0.185 -1.880 4.340 -10.674 0.000 0.272 410 L C 0.556 177.416 176.870 -0.016 0.000 1.182 410 L CA 0.807 55.627 54.840 -0.033 0.000 0.858 410 L CB 0.880 42.929 42.059 -0.016 0.000 1.120 410 L HN 0.810 nan 8.230 nan 0.000 0.474 411 G N 4.095 112.934 108.800 0.065 0.000 2.353 411 G HA2 0.378 -2.066 3.960 -10.674 0.000 0.239 411 G HA3 0.378 -2.066 3.960 -10.674 0.000 0.239 411 G C 0.654 175.474 174.900 -0.133 0.000 1.295 411 G CA 0.141 45.355 45.100 0.190 0.000 0.884 411 G HN 1.756 nan 8.290 nan 0.000 0.537 412 A N 1.900 124.553 122.820 -0.277 0.000 2.925 412 A HA -0.178 -2.263 4.320 -10.674 0.000 0.265 412 A C 1.494 178.990 177.584 -0.148 0.000 1.419 412 A CA 1.212 53.006 52.037 -0.405 0.000 0.807 412 A CB -1.819 16.599 19.000 -0.971 0.000 1.043 412 A HN 0.666 nan 8.150 nan 0.000 0.600 413 N N -0.844 117.823 118.700 -0.055 0.000 2.368 413 N HA 0.101 -1.564 4.740 -10.674 0.000 0.178 413 N C 1.752 177.358 175.510 0.159 0.000 1.076 413 N CA 1.122 54.229 53.050 0.095 0.000 0.889 413 N CB 0.111 38.703 38.487 0.175 0.000 1.040 413 N HN 0.584 nan 8.380 nan 0.000 0.463 414 S N 0.325 116.019 115.700 -0.009 0.000 2.383 414 S HA 0.085 -1.849 4.470 -10.674 0.000 0.227 414 S C 1.725 176.415 174.600 0.150 0.000 1.026 414 S CA 0.714 58.937 58.200 0.039 0.000 0.981 414 S CB -0.158 62.965 63.200 -0.128 0.000 0.818 414 S HN 0.230 nan 8.310 nan 0.000 0.472 415 L N 0.812 122.098 121.223 0.105 0.000 2.201 415 L HA -0.041 -2.106 4.340 -10.674 0.000 0.212 415 L C 2.376 179.323 176.870 0.128 0.000 1.105 415 L CA 0.594 55.504 54.840 0.117 0.000 0.775 415 L CB -0.468 41.646 42.059 0.092 0.000 0.913 415 L HN 0.362 nan 8.230 nan 0.000 0.440 416 L N 0.522 121.824 121.223 0.132 0.000 2.023 416 L HA -0.197 -2.262 4.340 -10.674 0.000 0.205 416 L C 2.121 179.099 176.870 0.181 0.000 1.073 416 L CA 2.050 56.970 54.840 0.133 0.000 0.745 416 L CB -0.528 41.615 42.059 0.140 0.000 0.900 416 L HN 0.227 nan 8.230 nan 0.000 0.435 417 D N -0.723 119.847 120.400 0.283 0.000 2.149 417 D HA -0.259 -2.024 4.640 -10.674 0.000 0.194 417 D C 2.029 178.574 176.300 0.407 0.000 1.001 417 D CA 1.690 55.959 54.000 0.448 0.000 0.849 417 D CB -0.101 41.008 40.800 0.515 0.000 0.939 417 D HN 0.259 nan 8.370 nan 0.000 0.449 418 L N -0.043 121.343 121.223 0.271 0.000 1.955 418 L HA -0.145 -2.209 4.340 -10.674 0.000 0.213 418 L C 2.753 179.722 176.870 0.165 0.000 1.072 418 L CA 1.213 56.177 54.840 0.206 0.000 0.755 418 L CB -1.016 41.141 42.059 0.163 0.000 0.888 418 L HN 0.072 nan 8.230 nan 0.000 0.432 419 V N -1.320 118.670 119.914 0.126 0.000 2.237 419 V HA -0.278 -2.563 4.120 -10.674 0.000 0.245 419 V C 2.415 178.521 176.094 0.020 0.000 1.046 419 V CA 1.630 63.974 62.300 0.073 0.000 1.007 419 V CB -0.523 31.335 31.823 0.058 0.000 0.638 419 V HN 0.249 nan 8.190 nan 0.000 0.445 420 V N -0.622 119.280 119.914 -0.019 0.000 2.255 420 V HA -0.275 -2.559 4.120 -10.674 0.000 0.247 420 V C 2.147 178.139 176.094 -0.170 0.000 1.051 420 V CA 2.431 64.633 62.300 -0.163 0.000 1.018 420 V CB -0.749 30.881 31.823 -0.323 0.000 0.641 420 V HN 0.484 nan 8.190 nan 0.000 0.445 421 F N 0.641 120.654 119.950 0.105 0.000 2.512 421 F HA 0.159 -1.717 4.527 -10.671 0.000 0.296 421 F C 2.320 178.123 175.800 0.006 0.000 1.110 421 F CA 0.853 58.892 58.000 0.065 0.000 1.446 421 F CB -0.806 38.229 39.000 0.058 0.000 1.092 421 F HN 0.189 nan 8.300 nan 0.000 0.554 422 G N 0.294 109.180 108.800 0.143 0.000 2.421 422 G HA2 -0.274 -2.719 3.960 -10.674 0.000 0.216 422 G HA3 -0.274 -2.719 3.960 -10.674 0.000 0.216 422 G C 1.755 176.619 174.900 -0.059 0.000 1.171 422 G CA 0.667 45.785 45.100 0.029 0.000 0.775 422 G HN 0.234 nan 8.290 nan 0.000 0.543 423 R N 0.672 121.133 120.500 -0.065 0.000 2.096 423 R HA -0.003 -2.067 4.340 -10.674 0.000 0.235 423 R C 2.807 179.059 176.300 -0.080 0.000 1.127 423 R CA 1.467 57.503 56.100 -0.107 0.000 0.968 423 R CB -0.392 29.854 30.300 -0.090 0.000 0.861 423 R HN 0.294 nan 8.270 nan 0.000 0.440 424 A N 0.649 123.458 122.820 -0.019 0.000 1.865 424 A HA -0.203 -2.287 4.320 -10.674 0.000 0.217 424 A C 2.499 180.010 177.584 -0.122 0.000 1.191 424 A CA 1.670 53.699 52.037 -0.015 0.000 0.623 424 A CB -1.054 17.961 19.000 0.024 0.000 0.826 424 A HN 0.604 nan 8.150 nan 0.000 0.444 425 C N -0.872 118.341 119.300 -0.146 0.000 2.413 425 C HA 0.020 -1.924 4.460 -10.674 0.000 0.277 425 C C 3.279 177.985 174.990 -0.473 0.000 1.265 425 C CA 0.708 59.509 59.018 -0.361 0.000 1.752 425 C CB -1.536 26.044 27.740 -0.266 0.000 1.998 425 C HN 0.697 nan 8.230 nan 0.000 0.489 426 A N 0.516 123.145 122.820 -0.319 0.000 1.877 426 A HA -0.095 -2.180 4.320 -10.674 0.000 0.216 426 A C 2.065 179.494 177.584 -0.258 0.000 1.186 426 A CA 1.533 53.383 52.037 -0.311 0.000 0.620 426 A CB -0.565 18.278 19.000 -0.260 0.000 0.822 426 A HN 0.598 nan 8.150 nan 0.000 0.443 427 L N -0.759 120.356 121.223 -0.180 0.000 2.217 427 L HA -0.064 -2.129 4.340 -10.674 0.000 0.211 427 L C 2.672 179.466 176.870 -0.127 0.000 1.107 427 L CA 1.103 55.878 54.840 -0.109 0.000 0.783 427 L CB -0.235 41.795 42.059 -0.047 0.000 0.919 427 L HN 0.268 nan 8.230 nan 0.000 0.442 428 S N -0.222 115.355 115.700 -0.205 0.000 2.428 428 S HA -0.000 -1.935 4.470 -10.674 0.000 0.230 428 S C 1.919 176.389 174.600 -0.216 0.000 1.014 428 S CA 0.943 59.030 58.200 -0.189 0.000 0.957 428 S CB -0.076 63.016 63.200 -0.181 0.000 0.784 428 S HN 0.280 nan 8.310 nan 0.000 0.499 429 I N 1.124 121.455 120.570 -0.399 0.000 2.339 429 I HA -0.056 -2.290 4.170 -10.674 0.000 0.245 429 I C 2.651 178.656 176.117 -0.188 0.000 1.096 429 I CA 0.882 61.961 61.300 -0.368 0.000 1.408 429 I CB -0.459 37.161 38.000 -0.632 0.000 1.092 429 I HN 0.222 nan 8.210 nan 0.000 0.423 430 A N 0.448 123.186 122.820 -0.137 0.000 1.908 430 A HA -0.204 -2.288 4.320 -10.674 0.000 0.218 430 A C 1.979 179.637 177.584 0.122 0.000 1.181 430 A CA 1.648 53.787 52.037 0.170 0.000 0.627 430 A CB -0.537 18.561 19.000 0.165 0.000 0.818 430 A HN 0.468 nan 8.150 nan 0.000 0.445 431 E N -0.406 119.815 120.200 0.035 0.000 2.403 431 E HA 0.049 -2.005 4.350 -10.674 0.000 0.188 431 E C 1.346 177.965 176.600 0.032 0.000 1.056 431 E CA 0.452 56.872 56.400 0.033 0.000 0.892 431 E CB 0.137 29.846 29.700 0.015 0.000 1.049 431 E HN 0.797 nan 8.360 nan 0.000 0.465 432 S N -0.721 115.004 115.700 0.041 0.000 3.142 432 S HA 0.048 -1.887 4.470 -10.674 0.000 0.223 432 S C 1.137 175.776 174.600 0.065 0.000 0.939 432 S CA -0.031 58.196 58.200 0.045 0.000 0.826 432 S CB -0.099 63.129 63.200 0.045 0.000 0.823 432 S HN 0.331 nan 8.310 nan 0.000 0.612 433 C N 2.237 121.592 119.300 0.091 0.000 2.423 433 C HA 0.888 -1.056 4.460 -10.674 0.000 0.378 433 C C -0.047 175.063 174.990 0.200 0.000 1.244 433 C CA -1.017 58.073 59.018 0.119 0.000 1.978 433 C CB 0.911 28.717 27.740 0.111 0.000 2.252 433 C HN 0.528 nan 8.230 nan 0.000 0.526 434 R N 1.275 121.872 120.500 0.160 0.000 2.732 434 R HA 0.644 -1.421 4.340 -10.674 0.000 0.278 434 R C -2.722 173.632 176.300 0.090 0.000 0.976 434 R CA -1.885 54.272 56.100 0.095 0.000 0.963 434 R CB 1.430 31.738 30.300 0.013 0.000 1.150 434 R HN 0.644 nan 8.270 nan 0.000 0.478 435 P HA 0.099 nan 4.420 nan 0.000 0.275 435 P C 0.461 177.712 177.300 -0.082 0.000 1.227 435 P CA 0.297 63.255 63.100 -0.237 0.000 0.781 435 P CB 0.780 32.051 31.700 -0.715 0.000 0.906 436 G N 1.786 110.587 108.800 0.002 0.000 2.195 436 G HA2 -0.180 -2.624 3.960 -10.674 0.000 0.246 436 G HA3 -0.180 -2.624 3.960 -10.674 0.000 0.246 436 G C -0.101 174.811 174.900 0.021 0.000 0.984 436 G CA -0.174 44.927 45.100 0.002 0.000 0.633 436 G HN 0.513 nan 8.290 nan 0.000 0.525 437 D N 0.716 121.143 120.400 0.044 0.000 2.368 437 D HA 0.349 -1.415 4.640 -10.674 0.000 0.240 437 D C 0.820 177.147 176.300 0.046 0.000 1.169 437 D CA -0.041 53.986 54.000 0.045 0.000 0.906 437 D CB 0.540 41.378 40.800 0.063 0.000 1.187 437 D HN 0.272 nan 8.370 nan 0.000 0.435 438 K N 1.006 121.426 120.400 0.033 0.000 2.453 438 K HA 0.021 -2.063 4.320 -10.674 0.000 0.280 438 K C -0.903 175.717 176.600 0.034 0.000 1.045 438 K CA -0.148 56.156 56.287 0.027 0.000 1.059 438 K CB 0.244 32.755 32.500 0.019 0.000 0.901 438 K HN 0.157 nan 8.250 nan 0.000 0.475 439 V N 8.208 128.142 119.914 0.034 0.000 2.439 439 V HA 0.086 -2.198 4.120 -10.674 0.000 0.271 439 V C -1.946 174.163 176.094 0.026 0.000 1.040 439 V CA -1.537 60.785 62.300 0.037 0.000 1.002 439 V CB 0.622 32.469 31.823 0.040 0.000 1.000 439 V HN 0.779 nan 8.190 nan 0.000 0.477 440 P HA 0.088 nan 4.420 nan 0.000 0.265 440 P C -0.100 177.208 177.300 0.014 0.000 1.193 440 P CA -0.030 63.080 63.100 0.016 0.000 0.765 440 P CB 0.308 32.015 31.700 0.013 0.000 0.823 441 S N 3.240 118.946 115.700 0.010 0.000 2.488 441 S HA 0.188 -1.747 4.470 -10.674 0.000 0.278 441 S C 0.279 174.883 174.600 0.007 0.000 1.259 441 S CA -0.631 57.574 58.200 0.008 0.000 1.061 441 S CB -0.288 62.914 63.200 0.005 0.000 0.910 441 S HN 0.330 nan 8.310 nan 0.000 0.491 442 I N 2.486 123.061 120.570 0.008 0.000 2.823 442 I HA 0.222 -2.013 4.170 -10.674 0.000 0.290 442 I C 0.590 176.709 176.117 0.003 0.000 1.091 442 I CA -0.257 61.047 61.300 0.007 0.000 1.365 442 I CB 0.572 38.579 38.000 0.012 0.000 1.427 442 I HN 0.677 nan 8.210 nan 0.000 0.583 443 K N 6.917 127.317 120.400 0.001 0.000 2.414 443 K HA 0.074 -2.011 4.320 -10.674 0.000 0.272 443 K C -1.705 174.895 176.600 -0.000 0.000 0.993 443 K CA -0.793 55.493 56.287 -0.001 0.000 0.964 443 K CB 0.052 32.550 32.500 -0.003 0.000 0.925 443 K HN 0.431 nan 8.250 nan 0.000 0.487 444 P HA -0.092 nan 4.420 nan 0.000 0.221 444 P C 0.155 177.455 177.300 -0.001 0.000 1.150 444 P CA 1.130 64.230 63.100 -0.000 0.000 0.800 444 P CB 0.302 32.002 31.700 -0.000 0.000 0.787 445 N N -0.547 118.152 118.700 -0.002 0.000 2.356 445 N HA 0.085 -1.579 4.740 -10.674 0.000 0.178 445 N C 0.611 176.117 175.510 -0.007 0.000 1.075 445 N CA 0.147 53.194 53.050 -0.004 0.000 0.889 445 N CB -0.416 38.068 38.487 -0.005 0.000 0.999 445 N HN -0.019 nan 8.380 nan 0.000 0.464 446 A N 1.175 123.991 122.820 -0.006 0.000 2.589 446 A HA 0.227 -1.858 4.320 -10.674 0.000 0.265 446 A C 1.338 178.915 177.584 -0.012 0.000 0.973 446 A CA 1.138 53.170 52.037 -0.007 0.000 0.902 446 A CB -0.961 18.037 19.000 -0.003 0.000 0.846 446 A HN 0.554 nan 8.150 nan 0.000 0.489 447 G N 2.565 111.356 108.800 -0.016 0.000 2.256 447 G HA2 -0.230 -2.675 3.960 -10.674 0.000 0.272 447 G HA3 -0.230 -2.675 3.960 -10.674 0.000 0.272 447 G C 0.334 175.213 174.900 -0.036 0.000 1.076 447 G CA 0.695 45.781 45.100 -0.024 0.000 0.882 447 G HN 0.932 nan 8.290 nan 0.000 0.497 448 E N -0.350 119.831 120.200 -0.031 0.000 2.051 448 E HA -0.089 -2.143 4.350 -10.674 0.000 0.192 448 E C 2.081 178.650 176.600 -0.052 0.000 0.991 448 E CA 1.441 57.819 56.400 -0.037 0.000 0.799 448 E CB -0.015 29.671 29.700 -0.024 0.000 0.748 448 E HN 0.740 nan 8.360 nan 0.000 0.449 449 E N 0.162 120.336 120.200 -0.044 0.000 2.502 449 E HA 0.002 -2.053 4.350 -10.674 0.000 0.194 449 E C 1.672 178.236 176.600 -0.060 0.000 1.062 449 E CA 0.121 56.493 56.400 -0.048 0.000 0.867 449 E CB 0.319 30.000 29.700 -0.032 0.000 0.888 449 E HN 0.054 nan 8.360 nan 0.000 0.510 450 S N -0.047 115.615 115.700 -0.063 0.000 2.395 450 S HA -0.077 -2.012 4.470 -10.674 0.000 0.225 450 S C 2.070 176.594 174.600 -0.127 0.000 1.027 450 S CA 0.555 58.713 58.200 -0.071 0.000 0.965 450 S CB 0.161 63.331 63.200 -0.050 0.000 0.812 450 S HN 0.085 nan 8.310 nan 0.000 0.482 451 V N 1.859 121.677 119.914 -0.160 0.000 2.446 451 V HA 0.025 -2.259 4.120 -10.674 0.000 0.244 451 V C 2.138 178.075 176.094 -0.262 0.000 1.039 451 V CA 1.243 63.372 62.300 -0.284 0.000 1.045 451 V CB -0.619 31.037 31.823 -0.279 0.000 0.681 451 V HN 0.424 nan 8.190 nan 0.000 0.459 452 M N 0.468 119.978 119.600 -0.151 0.000 2.358 452 M HA -0.159 -2.083 4.480 -10.674 0.000 0.264 452 M C 2.090 178.325 176.300 -0.107 0.000 1.064 452 M CA 1.381 56.619 55.300 -0.104 0.000 1.093 452 M CB -0.522 32.042 32.600 -0.059 0.000 1.401 452 M HN 0.471 nan 8.290 nan 0.000 0.440 453 N N 0.566 119.194 118.700 -0.120 0.000 2.250 453 N HA -0.109 -1.773 4.740 -10.674 0.000 0.181 453 N C 1.749 177.167 175.510 -0.152 0.000 1.017 453 N CA 0.652 53.635 53.050 -0.113 0.000 0.866 453 N CB 0.243 38.677 38.487 -0.089 0.000 0.985 453 N HN 0.283 nan 8.380 nan 0.000 0.429 454 L N 1.745 122.843 121.223 -0.210 0.000 2.027 454 L HA -0.141 -2.206 4.340 -10.674 0.000 0.206 454 L C 1.770 178.477 176.870 -0.271 0.000 1.074 454 L CA 1.899 56.584 54.840 -0.260 0.000 0.745 454 L CB -1.234 40.604 42.059 -0.368 0.000 0.898 454 L HN 0.156 nan 8.230 nan 0.000 0.433 455 D N -0.423 119.808 120.400 -0.282 0.000 2.178 455 D HA -0.235 -1.999 4.640 -10.674 0.000 0.202 455 D C 2.162 178.326 176.300 -0.227 0.000 0.974 455 D CA 1.124 54.979 54.000 -0.241 0.000 0.841 455 D CB 0.225 40.986 40.800 -0.065 0.000 0.953 455 D HN 0.162 nan 8.370 nan 0.000 0.478 456 K N -0.360 119.962 120.400 -0.130 0.000 2.026 456 K HA -0.091 -2.175 4.320 -10.674 0.000 0.208 456 K C 1.748 178.294 176.600 -0.089 0.000 1.048 456 K CA 1.065 57.308 56.287 -0.073 0.000 0.929 456 K CB -0.317 32.143 32.500 -0.067 0.000 0.713 456 K HN 0.106 nan 8.250 nan 0.000 0.439 457 L N 0.785 121.930 121.223 -0.129 0.000 2.341 457 L HA 0.126 -1.938 4.340 -10.674 0.000 0.214 457 L C 2.404 179.196 176.870 -0.130 0.000 1.115 457 L CA 0.980 55.749 54.840 -0.118 0.000 0.820 457 L CB -0.369 41.615 42.059 -0.126 0.000 0.944 457 L HN 0.167 nan 8.230 nan 0.000 0.452 458 R N -0.714 119.651 120.500 -0.225 0.000 2.115 458 R HA -0.013 -2.078 4.340 -10.674 0.000 0.226 458 R C 1.409 177.619 176.300 -0.149 0.000 1.100 458 R CA 1.281 57.215 56.100 -0.278 0.000 0.980 458 R CB -0.089 29.915 30.300 -0.493 0.000 0.875 458 R HN 0.357 nan 8.270 nan 0.000 0.445 459 F N 0.299 120.238 119.950 -0.018 0.000 2.653 459 F HA 0.361 -1.516 4.527 -10.674 0.000 0.304 459 F C 0.853 176.611 175.800 -0.071 0.000 1.092 459 F CA -0.716 57.262 58.000 -0.037 0.000 1.279 459 F CB 0.331 39.319 39.000 -0.022 0.000 1.044 459 F HN -0.109 nan 8.300 nan 0.000 0.564 460 A N 1.399 124.253 122.820 0.058 0.000 2.583 460 A HA -0.139 -2.223 4.320 -10.674 0.000 0.249 460 A C 0.265 177.809 177.584 -0.066 0.000 1.035 460 A CA 0.518 52.544 52.037 -0.019 0.000 0.777 460 A CB -0.464 18.503 19.000 -0.056 0.000 0.942 460 A HN 0.617 nan 8.150 nan 0.000 0.516 461 N N 2.002 120.664 118.700 -0.063 0.000 2.635 461 N HA 0.319 -1.345 4.740 -10.674 0.000 0.307 461 N C 0.665 176.124 175.510 -0.085 0.000 1.433 461 N CA -0.008 52.988 53.050 -0.090 0.000 0.973 461 N CB 0.668 39.117 38.487 -0.064 0.000 1.304 461 N HN 0.844 nan 8.380 nan 0.000 0.507 462 G N -0.750 107.997 108.800 -0.087 0.000 2.616 462 G HA2 0.082 -2.362 3.960 -10.674 0.000 0.268 462 G HA3 0.082 -2.362 3.960 -10.674 0.000 0.268 462 G C 1.014 175.906 174.900 -0.013 0.000 1.213 462 G CA -0.230 44.844 45.100 -0.045 0.000 0.926 462 G HN 0.259 nan 8.290 nan 0.000 0.523 463 T N -2.487 112.095 114.554 0.047 0.000 3.022 463 T HA 0.342 -1.713 4.350 -10.674 0.000 0.250 463 T C 0.667 175.406 174.700 0.066 0.000 1.060 463 T CA 0.147 62.284 62.100 0.060 0.000 1.013 463 T CB 0.002 68.923 68.868 0.088 0.000 0.982 463 T HN 0.222 nan 8.240 nan 0.000 0.508 464 I N 1.624 122.238 120.570 0.073 0.000 2.436 464 I HA 0.421 -1.814 4.170 -10.674 0.000 0.289 464 I C 0.042 176.201 176.117 0.070 0.000 1.010 464 I CA -1.164 60.175 61.300 0.066 0.000 1.098 464 I CB 2.370 40.401 38.000 0.052 0.000 1.266 464 I HN 0.003 nan 8.210 nan 0.000 0.434 465 R N 3.403 123.958 120.500 0.091 0.000 2.643 465 R HA 0.120 -1.945 4.340 -10.674 0.000 0.270 465 R C 0.746 177.098 176.300 0.088 0.000 1.061 465 R CA 0.170 56.344 56.100 0.124 0.000 1.107 465 R CB 0.902 31.295 30.300 0.155 0.000 0.999 465 R HN 0.723 nan 8.270 nan 0.000 0.460 466 T N 1.287 115.895 114.554 0.091 0.000 2.684 466 T HA -0.217 -2.271 4.350 -10.674 0.000 0.267 466 T C 1.825 176.560 174.700 0.059 0.000 1.036 466 T CA 2.072 64.207 62.100 0.060 0.000 1.148 466 T CB -0.237 68.664 68.868 0.055 0.000 0.863 466 T HN 0.820 nan 8.240 nan 0.000 0.436 467 S N 1.715 117.457 115.700 0.070 0.000 2.382 467 S HA -0.130 -2.064 4.470 -10.674 0.000 0.228 467 S C 1.875 176.512 174.600 0.063 0.000 1.027 467 S CA 1.220 59.458 58.200 0.062 0.000 0.991 467 S CB -0.449 62.784 63.200 0.056 0.000 0.823 467 S HN 0.591 nan 8.310 nan 0.000 0.469 468 E N 0.453 120.689 120.200 0.060 0.000 2.208 468 E HA 0.081 -1.974 4.350 -10.674 0.000 0.193 468 E C 1.855 178.484 176.600 0.047 0.000 0.988 468 E CA 0.631 57.063 56.400 0.052 0.000 0.828 468 E CB -0.184 29.545 29.700 0.048 0.000 0.763 468 E HN 0.396 nan 8.360 nan 0.000 0.478 469 L N 0.866 122.116 121.223 0.045 0.000 2.179 469 L HA -0.041 -2.105 4.340 -10.674 0.000 0.208 469 L C 2.203 179.099 176.870 0.044 0.000 1.096 469 L CA 1.355 56.216 54.840 0.036 0.000 0.779 469 L CB -0.109 41.967 42.059 0.027 0.000 0.922 469 L HN -0.085 nan 8.230 nan 0.000 0.443 470 R N -0.946 119.587 120.500 0.054 0.000 2.081 470 R HA -0.169 -2.233 4.340 -10.674 0.000 0.235 470 R C 2.199 178.553 176.300 0.089 0.000 1.131 470 R CA 1.749 57.891 56.100 0.070 0.000 0.960 470 R CB -0.314 30.032 30.300 0.077 0.000 0.856 470 R HN 0.367 nan 8.270 nan 0.000 0.436 471 L N 0.371 121.649 121.223 0.091 0.000 2.156 471 L HA -0.036 -2.100 4.340 -10.674 0.000 0.208 471 L C 2.020 178.930 176.870 0.067 0.000 1.095 471 L CA 1.486 56.388 54.840 0.104 0.000 0.770 471 L CB -0.109 42.005 42.059 0.091 0.000 0.914 471 L HN 0.045 nan 8.230 nan 0.000 0.439 472 S N -0.665 115.064 115.700 0.049 0.000 2.382 472 S HA -0.218 -2.152 4.470 -10.674 0.000 0.228 472 S C 1.891 176.515 174.600 0.039 0.000 1.027 472 S CA 1.828 60.049 58.200 0.034 0.000 0.991 472 S CB -0.344 62.872 63.200 0.026 0.000 0.823 472 S HN 0.547 nan 8.310 nan 0.000 0.469 473 M N 1.063 120.690 119.600 0.044 0.000 2.193 473 M HA -0.100 -2.025 4.480 -10.674 0.000 0.265 473 M C 2.123 178.442 176.300 0.032 0.000 1.071 473 M CA 1.356 56.676 55.300 0.034 0.000 1.140 473 M CB -0.237 32.384 32.600 0.035 0.000 1.369 473 M HN 0.257 nan 8.290 nan 0.000 0.423 474 Q N 0.301 120.147 119.800 0.076 0.000 2.020 474 Q HA -0.173 -2.237 4.340 -10.674 0.000 0.202 474 Q C 2.032 178.128 176.000 0.159 0.000 0.982 474 Q CA 1.652 57.534 55.803 0.132 0.000 0.838 474 Q CB -0.053 28.827 28.738 0.236 0.000 0.899 474 Q HN 0.504 nan 8.270 nan 0.000 0.423 475 K N -0.052 120.413 120.400 0.109 0.000 2.148 475 K HA -0.033 -2.117 4.320 -10.674 0.000 0.204 475 K C 2.264 178.915 176.600 0.084 0.000 1.050 475 K CA 0.894 57.205 56.287 0.039 0.000 0.942 475 K CB 0.013 32.448 32.500 -0.109 0.000 0.724 475 K HN 0.033 nan 8.250 nan 0.000 0.446 476 S N 0.942 116.703 115.700 0.102 0.000 2.368 476 S HA -0.079 -2.013 4.470 -10.674 0.000 0.225 476 S C 1.911 176.644 174.600 0.222 0.000 1.030 476 S CA 1.095 59.415 58.200 0.200 0.000 0.999 476 S CB -0.031 63.230 63.200 0.101 0.000 0.844 476 S HN 0.214 nan 8.310 nan 0.000 0.459 477 M N 0.884 120.513 119.600 0.048 0.000 2.175 477 M HA -0.040 -1.964 4.480 -10.674 0.000 0.264 477 M C 2.256 178.635 176.300 0.132 0.000 1.063 477 M CA 1.281 56.524 55.300 -0.095 0.000 1.119 477 M CB -1.340 30.901 32.600 -0.599 0.000 1.377 477 M HN 0.235 nan 8.290 nan 0.000 0.415 478 Q N 0.653 120.599 119.800 0.244 0.000 2.170 478 Q HA -0.101 -2.165 4.340 -10.674 0.000 0.203 478 Q C 1.994 178.156 176.000 0.270 0.000 0.976 478 Q CA 2.281 58.338 55.803 0.423 0.000 0.858 478 Q CB -0.093 28.882 28.738 0.395 0.000 0.907 478 Q HN 0.620 nan 8.270 nan 0.000 0.433 479 S N -2.404 113.378 115.700 0.138 0.000 2.506 479 S HA 0.024 -1.910 4.470 -10.674 0.000 0.230 479 S C 1.521 176.078 174.600 -0.071 0.000 1.066 479 S CA 0.449 58.638 58.200 -0.018 0.000 0.940 479 S CB -0.455 62.644 63.200 -0.168 0.000 0.818 479 S HN 0.493 nan 8.310 nan 0.000 0.518 480 H N 1.896 121.020 119.070 0.090 0.000 2.502 480 H HA 0.522 -1.328 4.556 -10.677 0.000 0.283 480 H C 1.030 176.416 175.328 0.097 0.000 1.015 480 H CA 0.965 57.054 56.048 0.069 0.000 1.298 480 H CB 0.112 29.895 29.762 0.036 0.000 1.411 480 H HN 0.571 nan 8.280 nan 0.000 0.556 481 A N 0.408 123.389 122.820 0.268 0.000 3.214 481 A HA 0.694 -1.391 4.320 -10.674 0.000 0.304 481 A C 0.566 178.391 177.584 0.401 0.000 0.969 481 A CA -0.043 52.173 52.037 0.298 0.000 0.986 481 A CB -0.435 18.757 19.000 0.320 0.000 1.073 481 A HN 0.353 nan 8.150 nan 0.000 0.487 482 A N -0.200 122.755 122.820 0.223 0.000 2.372 482 A HA 0.545 -1.539 4.320 -10.674 0.000 0.271 482 A C 1.551 178.994 177.584 -0.234 0.000 1.470 482 A CA 0.495 52.577 52.037 0.075 0.000 0.827 482 A CB -0.516 18.493 19.000 0.016 0.000 1.405 482 A HN 0.727 nan 8.150 nan 0.000 0.536 483 V N -1.346 118.158 119.914 -0.683 0.000 2.255 483 V HA -0.135 -2.420 4.120 -10.674 0.000 0.247 483 V C 0.715 176.478 176.094 -0.552 0.000 1.051 483 V CA 1.430 63.218 62.300 -0.852 0.000 1.018 483 V CB -1.023 30.295 31.823 -0.841 0.000 0.641 483 V HN 0.485 nan 8.190 nan 0.000 0.445 484 F N 0.942 120.771 119.950 -0.203 0.000 2.399 484 F HA 0.632 -1.248 4.527 -10.678 0.000 0.334 484 F C 0.584 176.325 175.800 -0.099 0.000 1.097 484 F CA -0.756 57.166 58.000 -0.130 0.000 1.076 484 F CB 0.939 39.880 39.000 -0.099 0.000 1.162 484 F HN 0.111 nan 8.300 nan 0.000 0.495 485 R N 1.695 122.244 120.500 0.083 0.000 2.522 485 R HA 0.706 -1.358 4.340 -10.674 0.000 0.283 485 R C -1.821 174.500 176.300 0.035 0.000 1.074 485 R CA -1.016 55.108 56.100 0.039 0.000 0.925 485 R CB 0.947 31.248 30.300 0.002 0.000 1.205 485 R HN 0.433 nan 8.270 nan 0.000 0.436 486 V N -0.213 119.731 119.914 0.051 0.000 2.837 486 V HA 0.582 -1.702 4.120 -10.674 0.000 0.310 486 V C 1.379 177.511 176.094 0.063 0.000 1.059 486 V CA -0.084 62.249 62.300 0.056 0.000 1.004 486 V CB 1.465 33.311 31.823 0.038 0.000 1.045 486 V HN 0.892 nan 8.190 nan 0.000 0.465 487 G N 1.002 109.855 108.800 0.088 0.000 2.498 487 G HA2 -0.148 -2.593 3.960 -10.674 0.000 0.219 487 G HA3 -0.148 -2.593 3.960 -10.674 0.000 0.219 487 G C 1.288 176.221 174.900 0.054 0.000 1.119 487 G CA 1.044 46.192 45.100 0.080 0.000 0.766 487 G HN 0.757 nan 8.290 nan 0.000 0.552 488 S N 0.214 115.945 115.700 0.052 0.000 2.338 488 S HA -0.138 -2.072 4.470 -10.674 0.000 0.218 488 S C 2.644 177.282 174.600 0.062 0.000 1.032 488 S CA 1.587 59.814 58.200 0.045 0.000 0.999 488 S CB -0.550 62.670 63.200 0.035 0.000 0.905 488 S HN 0.510 nan 8.310 nan 0.000 0.439 489 V N 0.337 120.302 119.914 0.085 0.000 2.809 489 V HA 0.069 -2.216 4.120 -10.674 0.000 0.256 489 V C 1.886 178.093 176.094 0.188 0.000 1.080 489 V CA 1.168 63.573 62.300 0.176 0.000 1.102 489 V CB -1.000 30.898 31.823 0.125 0.000 0.705 489 V HN 0.344 nan 8.190 nan 0.000 0.475 490 L N -0.635 120.638 121.223 0.084 0.000 2.072 490 L HA -0.064 -2.128 4.340 -10.674 0.000 0.205 490 L C 3.060 179.891 176.870 -0.065 0.000 1.079 490 L CA 1.486 56.340 54.840 0.022 0.000 0.752 490 L CB -0.580 41.486 42.059 0.011 0.000 0.906 490 L HN 0.275 nan 8.230 nan 0.000 0.436 491 Q N -0.170 119.600 119.800 -0.051 0.000 2.050 491 Q HA -0.260 -2.325 4.340 -10.674 0.000 0.202 491 Q C 2.081 178.021 176.000 -0.099 0.000 0.980 491 Q CA 1.597 57.346 55.803 -0.090 0.000 0.840 491 Q CB -0.111 28.602 28.738 -0.040 0.000 0.898 491 Q HN 0.518 nan 8.270 nan 0.000 0.424 492 E N -0.415 119.751 120.200 -0.057 0.000 2.072 492 E HA -0.132 -2.186 4.350 -10.674 0.000 0.191 492 E C 1.902 178.361 176.600 -0.234 0.000 0.985 492 E CA 1.022 57.374 56.400 -0.081 0.000 0.801 492 E CB -0.118 29.587 29.700 0.009 0.000 0.750 492 E HN 0.387 nan 8.360 nan 0.000 0.452 493 G N 0.614 109.214 108.800 -0.334 0.000 2.422 493 G HA2 -0.273 -2.718 3.960 -10.674 0.000 0.218 493 G HA3 -0.273 -2.718 3.960 -10.674 0.000 0.218 493 G C 1.742 176.478 174.900 -0.274 0.000 1.146 493 G CA 0.878 45.644 45.100 -0.555 0.000 0.769 493 G HN 0.357 nan 8.290 nan 0.000 0.547 494 C N 1.213 120.373 119.300 -0.234 0.000 2.436 494 C HA -0.034 -1.979 4.460 -10.674 0.000 0.277 494 C C 2.871 177.803 174.990 -0.096 0.000 1.241 494 C CA 1.301 60.153 59.018 -0.277 0.000 1.721 494 C CB -0.744 26.602 27.740 -0.656 0.000 2.043 494 C HN 0.802 nan 8.230 nan 0.000 0.472 495 E N 0.740 120.882 120.200 -0.098 0.000 2.478 495 E HA -0.183 -2.237 4.350 -10.674 0.000 0.198 495 E C 1.846 178.430 176.600 -0.026 0.000 1.046 495 E CA 0.846 57.234 56.400 -0.019 0.000 0.870 495 E CB -0.235 29.451 29.700 -0.023 0.000 0.818 495 E HN 0.609 nan 8.360 nan 0.000 0.527 496 K N 0.472 120.822 120.400 -0.084 0.000 2.128 496 K HA 0.020 -2.064 4.320 -10.674 0.000 0.202 496 K C 1.970 178.549 176.600 -0.035 0.000 1.050 496 K CA 0.416 56.650 56.287 -0.087 0.000 0.966 496 K CB 0.221 32.599 32.500 -0.203 0.000 0.759 496 K HN 0.077 nan 8.250 nan 0.000 0.454 497 I N 1.587 122.145 120.570 -0.020 0.000 2.315 497 I HA -0.212 -2.447 4.170 -10.674 0.000 0.248 497 I C 2.291 178.466 176.117 0.096 0.000 1.117 497 I CA 0.803 62.128 61.300 0.042 0.000 1.404 497 I CB -0.875 37.161 38.000 0.059 0.000 1.071 497 I HN 0.221 nan 8.210 nan 0.000 0.419 498 L N 1.103 122.393 121.223 0.112 0.000 2.079 498 L HA -0.195 -2.260 4.340 -10.674 0.000 0.210 498 L C 2.763 179.699 176.870 0.109 0.000 1.081 498 L CA 1.800 56.709 54.840 0.115 0.000 0.752 498 L CB -0.598 41.540 42.059 0.132 0.000 0.896 498 L HN 0.107 nan 8.230 nan 0.000 0.433 499 R N -0.547 119.996 120.500 0.072 0.000 2.092 499 R HA -0.087 -2.151 4.340 -10.674 0.000 0.231 499 R C 2.131 178.467 176.300 0.060 0.000 1.119 499 R CA 1.443 57.574 56.100 0.052 0.000 0.970 499 R CB -0.313 29.997 30.300 0.016 0.000 0.864 499 R HN 0.441 nan 8.270 nan 0.000 0.440 500 L N -0.258 121.004 121.223 0.066 0.000 2.551 500 L HA -0.120 -2.185 4.340 -10.674 0.000 0.228 500 L C 1.777 178.700 176.870 0.088 0.000 1.153 500 L CA 0.558 55.432 54.840 0.057 0.000 0.851 500 L CB -0.286 41.800 42.059 0.046 0.000 0.959 500 L HN 0.223 nan 8.230 nan 0.000 0.451 501 Y N 0.173 120.478 120.300 0.009 0.000 2.397 501 Y HA 0.053 -1.800 4.550 -10.671 0.000 0.292 501 Y C 2.314 178.229 175.900 0.024 0.000 1.115 501 Y CA 0.960 59.066 58.100 0.009 0.000 1.208 501 Y CB 0.066 38.524 38.460 -0.004 0.000 1.046 501 Y HN 0.055 nan 8.280 nan 0.000 0.552 502 G N -0.538 108.363 108.800 0.167 0.000 2.484 502 G HA2 -0.188 -2.633 3.960 -10.674 0.000 0.218 502 G HA3 -0.188 -2.633 3.960 -10.674 0.000 0.218 502 G C 1.154 176.127 174.900 0.121 0.000 1.130 502 G CA 0.958 46.134 45.100 0.127 0.000 0.784 502 G HN 0.330 nan 8.290 nan 0.000 0.543 503 D N 0.366 120.801 120.400 0.059 0.000 2.363 503 D HA 0.021 -1.744 4.640 -10.674 0.000 0.220 503 D C 2.220 178.573 176.300 0.089 0.000 0.994 503 D CA 0.121 54.163 54.000 0.070 0.000 0.890 503 D CB 0.201 40.992 40.800 -0.014 0.000 0.906 503 D HN 0.309 nan 8.370 nan 0.000 0.530 504 L N 0.803 122.010 121.223 -0.026 0.000 2.622 504 L HA -0.072 -2.136 4.340 -10.674 0.000 0.233 504 L C 1.700 178.521 176.870 -0.080 0.000 1.156 504 L CA 0.595 55.368 54.840 -0.110 0.000 0.866 504 L CB -0.092 41.783 42.059 -0.306 0.000 0.980 504 L HN 0.036 nan 8.230 nan 0.000 0.448 505 Q N -1.974 117.809 119.800 -0.028 0.000 2.157 505 Q HA 0.114 -1.950 4.340 -10.674 0.000 0.229 505 Q C 0.399 176.251 176.000 -0.246 0.000 0.827 505 Q CA -0.072 55.660 55.803 -0.119 0.000 1.055 505 Q CB 0.333 28.987 28.738 -0.140 0.000 1.157 505 Q HN 0.566 nan 8.270 nan 0.000 0.482 506 H N 0.742 119.786 119.070 -0.044 0.000 2.923 506 H HA 0.188 -1.661 4.556 -10.674 0.000 0.268 506 H C -0.024 175.285 175.328 -0.031 0.000 1.148 506 H CA -0.357 55.673 56.048 -0.030 0.000 1.146 506 H CB 1.039 30.789 29.762 -0.019 0.000 1.607 506 H HN 0.167 nan 8.280 nan 0.000 0.566 507 L N 0.528 121.777 121.223 0.043 0.000 2.349 507 L HA 0.411 -1.653 4.340 -10.674 0.000 0.275 507 L C 0.183 177.039 176.870 -0.023 0.000 1.115 507 L CA -0.677 54.172 54.840 0.016 0.000 0.820 507 L CB 0.496 42.555 42.059 0.000 0.000 1.135 507 L HN -0.205 nan 8.230 nan 0.000 0.445 508 K N 1.055 121.440 120.400 -0.025 0.000 2.213 508 K HA 0.566 -1.518 4.320 -10.674 0.000 0.270 508 K C -0.406 176.120 176.600 -0.123 0.000 1.002 508 K CA -0.185 56.029 56.287 -0.122 0.000 0.868 508 K CB 1.405 33.806 32.500 -0.166 0.000 1.093 508 K HN 0.842 nan 8.250 nan 0.000 0.454 509 T N 3.249 117.691 114.554 -0.186 0.000 2.925 509 T HA 0.504 -1.550 4.350 -10.674 0.000 0.285 509 T C -0.001 174.546 174.700 -0.255 0.000 1.021 509 T CA -0.468 61.579 62.100 -0.090 0.000 1.042 509 T CB 0.391 69.241 68.868 -0.031 0.000 1.037 509 T HN 0.513 nan 8.240 nan 0.000 0.481 510 F N -0.011 119.958 119.950 0.032 0.000 2.549 510 F HA 0.340 -1.538 4.527 -10.675 0.000 0.275 510 F C 1.266 177.094 175.800 0.048 0.000 0.990 510 F CA -0.462 57.561 58.000 0.038 0.000 1.274 510 F CB 0.301 39.318 39.000 0.029 0.000 1.064 510 F HN 0.399 nan 8.300 nan 0.000 0.715 511 D N 1.363 121.899 120.400 0.226 0.000 2.417 511 D HA 0.097 -1.667 4.640 -10.674 0.000 0.250 511 D C 0.231 176.603 176.300 0.120 0.000 1.166 511 D CA 0.360 54.449 54.000 0.148 0.000 0.881 511 D CB 0.828 41.698 40.800 0.118 0.000 1.164 511 D HN 0.119 nan 8.370 nan 0.000 0.467 512 R N 1.740 122.317 120.500 0.128 0.000 2.652 512 R HA 0.320 -1.745 4.340 -10.674 0.000 0.372 512 R C 0.518 176.897 176.300 0.131 0.000 1.104 512 R CA -0.449 55.746 56.100 0.160 0.000 1.072 512 R CB 1.371 31.795 30.300 0.207 0.000 1.367 512 R HN 0.288 nan 8.270 nan 0.000 0.577 513 G N -0.359 108.497 108.800 0.093 0.000 2.400 513 G HA2 0.231 -2.214 3.960 -10.674 0.000 0.333 513 G HA3 0.231 -2.214 3.960 -10.674 0.000 0.333 513 G C 0.725 175.661 174.900 0.060 0.000 1.143 513 G CA -0.529 44.618 45.100 0.078 0.000 0.914 513 G HN -0.038 nan 8.290 nan 0.000 0.480 514 M N 0.717 120.348 119.600 0.050 0.000 2.081 514 M HA -0.020 -1.944 4.480 -10.674 0.000 0.261 514 M C 1.240 177.573 176.300 0.055 0.000 1.075 514 M CA 0.965 56.290 55.300 0.041 0.000 1.133 514 M CB -0.533 32.084 32.600 0.027 0.000 1.330 514 M HN 0.174 nan 8.290 nan 0.000 0.414 515 V N 1.097 121.064 119.914 0.089 0.000 2.450 515 V HA -0.126 -2.411 4.120 -10.674 0.000 0.281 515 V C -0.677 175.559 176.094 0.237 0.000 1.019 515 V CA -0.129 62.262 62.300 0.152 0.000 1.062 515 V CB -1.294 30.622 31.823 0.155 0.000 0.979 515 V HN 0.665 nan 8.190 nan 0.000 0.477 516 W N 4.297 125.601 121.300 0.006 0.000 3.860 516 W HA -0.212 -1.956 4.660 -10.674 0.000 0.436 516 W C 0.721 177.242 176.519 0.003 0.000 1.817 516 W CA 0.437 57.785 57.345 0.005 0.000 0.602 516 W CB -0.537 28.928 29.460 0.009 0.000 2.873 516 W HN 0.715 nan 8.180 nan 0.000 0.675 517 N N 1.758 120.497 118.700 0.065 0.000 3.044 517 N HA 0.110 -1.555 4.740 -10.674 0.000 0.254 517 N C 1.293 176.807 175.510 0.007 0.000 1.253 517 N CA 0.610 53.690 53.050 0.050 0.000 0.944 517 N CB 0.540 39.028 38.487 0.000 0.000 1.217 517 N HN 0.329 nan 8.380 nan 0.000 0.498 518 T N -1.733 112.880 114.554 0.099 0.000 2.897 518 T HA -0.158 -2.212 4.350 -10.674 0.000 0.271 518 T C 1.342 176.057 174.700 0.024 0.000 1.084 518 T CA 0.898 63.042 62.100 0.072 0.000 1.123 518 T CB 0.139 69.111 68.868 0.172 0.000 0.865 518 T HN 0.182 nan 8.240 nan 0.000 0.496 519 D N 1.054 121.476 120.400 0.038 0.000 2.117 519 D HA -0.054 -1.818 4.640 -10.674 0.000 0.198 519 D C 1.893 178.183 176.300 -0.016 0.000 0.982 519 D CA 0.647 54.668 54.000 0.036 0.000 0.828 519 D CB -0.397 40.451 40.800 0.081 0.000 0.967 519 D HN 0.367 nan 8.370 nan 0.000 0.464 520 L N 0.370 121.561 121.223 -0.054 0.000 2.044 520 L HA -0.066 -2.130 4.340 -10.674 0.000 0.205 520 L C 2.477 179.219 176.870 -0.214 0.000 1.075 520 L CA 1.568 56.336 54.840 -0.119 0.000 0.747 520 L CB -0.629 41.355 42.059 -0.125 0.000 0.903 520 L HN 0.101 nan 8.230 nan 0.000 0.435 521 V N -3.388 116.365 119.914 -0.268 0.000 2.453 521 V HA -0.141 -2.426 4.120 -10.674 0.000 0.247 521 V C 2.146 178.035 176.094 -0.342 0.000 1.048 521 V CA 1.658 63.668 62.300 -0.484 0.000 1.049 521 V CB -1.090 30.437 31.823 -0.493 0.000 0.672 521 V HN 0.516 nan 8.190 nan 0.000 0.457 522 E N 0.791 120.903 120.200 -0.147 0.000 2.208 522 E HA -0.104 -2.159 4.350 -10.674 0.000 0.193 522 E C 2.276 178.846 176.600 -0.051 0.000 0.988 522 E CA 1.634 58.003 56.400 -0.052 0.000 0.828 522 E CB -0.241 29.457 29.700 -0.003 0.000 0.763 522 E HN 0.718 nan 8.360 nan 0.000 0.478 523 T N 1.238 115.743 114.554 -0.081 0.000 2.857 523 T HA -0.051 -2.105 4.350 -10.674 0.000 0.266 523 T C 1.924 176.564 174.700 -0.100 0.000 1.048 523 T CA 0.506 62.563 62.100 -0.070 0.000 1.139 523 T CB -0.059 68.769 68.868 -0.067 0.000 0.874 523 T HN 0.075 nan 8.240 nan 0.000 0.455 524 L N 0.660 121.773 121.223 -0.183 0.000 2.141 524 L HA -0.061 -2.126 4.340 -10.674 0.000 0.209 524 L C 2.634 179.470 176.870 -0.058 0.000 1.094 524 L CA 1.286 56.007 54.840 -0.198 0.000 0.763 524 L CB -0.352 41.428 42.059 -0.464 0.000 0.908 524 L HN 0.307 nan 8.230 nan 0.000 0.437 525 E N -0.542 119.636 120.200 -0.037 0.000 2.152 525 E HA -0.230 -2.285 4.350 -10.674 0.000 0.192 525 E C 1.997 178.638 176.600 0.069 0.000 0.983 525 E CA 0.718 57.183 56.400 0.109 0.000 0.818 525 E CB 0.018 29.793 29.700 0.126 0.000 0.758 525 E HN 0.261 nan 8.360 nan 0.000 0.467 526 L N 1.082 122.318 121.223 0.022 0.000 2.109 526 L HA -0.158 -2.223 4.340 -10.674 0.000 0.207 526 L C 1.993 178.861 176.870 -0.003 0.000 1.086 526 L CA 1.657 56.506 54.840 0.015 0.000 0.760 526 L CB -0.112 41.946 42.059 -0.001 0.000 0.910 526 L HN 0.035 nan 8.230 nan 0.000 0.437 527 Q N -0.759 119.028 119.800 -0.022 0.000 2.119 527 Q HA -0.173 -2.238 4.340 -10.674 0.000 0.201 527 Q C 1.799 177.813 176.000 0.023 0.000 0.972 527 Q CA 1.606 57.389 55.803 -0.034 0.000 0.847 527 Q CB -0.107 28.603 28.738 -0.047 0.000 0.903 527 Q HN 0.545 nan 8.270 nan 0.000 0.433 528 N N 0.398 119.129 118.700 0.050 0.000 2.216 528 N HA -0.059 -1.724 4.740 -10.674 0.000 0.183 528 N C 1.662 177.194 175.510 0.037 0.000 1.017 528 N CA 0.800 53.886 53.050 0.060 0.000 0.861 528 N CB -0.118 38.434 38.487 0.108 0.000 0.986 528 N HN 0.147 nan 8.380 nan 0.000 0.428 529 L N -0.053 121.200 121.223 0.051 0.000 2.093 529 L HA -0.031 -2.095 4.340 -10.674 0.000 0.208 529 L C 2.087 178.973 176.870 0.026 0.000 1.085 529 L CA 0.734 55.601 54.840 0.044 0.000 0.755 529 L CB -0.225 41.876 42.059 0.070 0.000 0.904 529 L HN 0.157 nan 8.230 nan 0.000 0.435 530 M N -0.588 119.043 119.600 0.052 0.000 2.175 530 M HA -0.171 -2.095 4.480 -10.674 0.000 0.264 530 M C 2.336 178.706 176.300 0.116 0.000 1.063 530 M CA 1.731 57.092 55.300 0.102 0.000 1.119 530 M CB -0.857 31.824 32.600 0.136 0.000 1.377 530 M HN 0.239 nan 8.290 nan 0.000 0.415 531 L N -1.013 120.270 121.223 0.100 0.000 2.083 531 L HA -0.254 -2.318 4.340 -10.674 0.000 0.209 531 L C 2.601 179.416 176.870 -0.092 0.000 1.083 531 L CA 0.960 55.815 54.840 0.025 0.000 0.752 531 L CB -0.709 41.367 42.059 0.028 0.000 0.899 531 L HN 0.313 nan 8.230 nan 0.000 0.433 532 C N -0.451 118.763 119.300 -0.143 0.000 2.446 532 C HA -0.105 -2.049 4.460 -10.674 0.000 0.277 532 C C 3.135 177.987 174.990 -0.230 0.000 1.275 532 C CA 0.613 59.439 59.018 -0.321 0.000 1.727 532 C CB -1.070 26.373 27.740 -0.494 0.000 2.010 532 C HN 0.614 nan 8.230 nan 0.000 0.486 533 A N 0.295 123.056 122.820 -0.098 0.000 1.873 533 A HA -0.092 -2.176 4.320 -10.674 0.000 0.215 533 A C 1.983 179.566 177.584 -0.002 0.000 1.186 533 A CA 1.458 53.474 52.037 -0.037 0.000 0.616 533 A CB -0.656 18.339 19.000 -0.008 0.000 0.823 533 A HN 0.441 nan 8.150 nan 0.000 0.442 534 L N -0.200 121.017 121.223 -0.010 0.000 2.013 534 L HA -0.263 -2.327 4.340 -10.674 0.000 0.212 534 L C 2.746 179.612 176.870 -0.007 0.000 1.073 534 L CA 2.222 57.051 54.840 -0.018 0.000 0.753 534 L CB -0.588 41.362 42.059 -0.181 0.000 0.890 534 L HN 0.480 nan 8.230 nan 0.000 0.432 535 Q N -1.902 117.852 119.800 -0.077 0.000 2.297 535 Q HA -0.118 -2.182 4.340 -10.674 0.000 0.204 535 Q C 1.985 177.980 176.000 -0.008 0.000 0.962 535 Q CA 1.554 57.314 55.803 -0.072 0.000 0.879 535 Q CB -0.075 28.581 28.738 -0.138 0.000 0.947 535 Q HN 0.531 nan 8.270 nan 0.000 0.462 536 T N 1.045 115.601 114.554 0.003 0.000 2.732 536 T HA -0.108 -2.162 4.350 -10.674 0.000 0.261 536 T C 1.793 176.554 174.700 0.101 0.000 1.040 536 T CA 0.880 63.022 62.100 0.070 0.000 1.145 536 T CB -0.147 68.791 68.868 0.117 0.000 0.866 536 T HN 0.160 nan 8.240 nan 0.000 0.427 537 I N -0.092 120.546 120.570 0.114 0.000 2.353 537 I HA -0.079 -2.314 4.170 -10.674 0.000 0.248 537 I C 1.903 178.061 176.117 0.067 0.000 1.119 537 I CA 1.282 62.639 61.300 0.095 0.000 1.417 537 I CB -0.174 37.865 38.000 0.066 0.000 1.078 537 I HN 0.186 nan 8.210 nan 0.000 0.421 538 Y N 0.514 120.805 120.300 -0.014 0.000 2.263 538 Y HA -0.020 -1.877 4.550 -10.678 0.000 0.292 538 Y C 2.555 178.447 175.900 -0.013 0.000 1.130 538 Y CA 1.518 59.610 58.100 -0.014 0.000 1.179 538 Y CB -1.102 37.341 38.460 -0.028 0.000 0.998 538 Y HN 0.195 nan 8.280 nan 0.000 0.532 539 G N -0.771 108.104 108.800 0.125 0.000 2.448 539 G HA2 -0.192 -2.636 3.960 -10.674 0.000 0.219 539 G HA3 -0.192 -2.637 3.960 -10.674 0.000 0.219 539 G C 1.835 176.695 174.900 -0.067 0.000 1.127 539 G CA 0.889 46.011 45.100 0.036 0.000 0.766 539 G HN 0.460 nan 8.290 nan 0.000 0.552 540 A N 1.377 124.182 122.820 -0.024 0.000 1.897 540 A HA 0.083 -2.001 4.320 -10.674 0.000 0.215 540 A C 2.172 179.798 177.584 0.069 0.000 1.181 540 A CA 1.977 54.044 52.037 0.050 0.000 0.620 540 A CB -0.318 18.777 19.000 0.158 0.000 0.821 540 A HN 0.477 nan 8.150 nan 0.000 0.443 541 E N 0.518 120.711 120.200 -0.011 0.000 2.152 541 E HA 0.090 -1.964 4.350 -10.674 0.000 0.192 541 E C 1.702 178.246 176.600 -0.094 0.000 0.983 541 E CA 1.505 57.874 56.400 -0.052 0.000 0.818 541 E CB -0.488 29.148 29.700 -0.107 0.000 0.758 541 E HN 0.384 nan 8.360 nan 0.000 0.467 542 A N 1.042 123.817 122.820 -0.076 0.000 1.872 542 A HA -0.037 -2.121 4.320 -10.674 0.000 0.214 542 A C 1.681 179.029 177.584 -0.392 0.000 1.187 542 A CA 0.864 52.871 52.037 -0.049 0.000 0.614 542 A CB -0.498 18.596 19.000 0.157 0.000 0.826 542 A HN 0.219 nan 8.150 nan 0.000 0.442 543 R N 0.942 121.103 120.500 -0.565 0.000 2.351 543 R HA 0.173 -1.892 4.340 -10.674 0.000 0.318 543 R C -0.911 174.819 176.300 -0.950 0.000 1.055 543 R CA 0.241 55.654 56.100 -1.146 0.000 0.968 543 R CB 0.081 29.856 30.300 -0.876 0.000 0.974 543 R HN 0.229 nan 8.270 nan 0.000 0.439 544 K N 5.151 124.640 120.400 -1.518 0.000 2.724 544 K HA 0.120 -1.964 4.320 -10.674 0.000 0.198 544 K C -1.054 175.185 176.600 -0.602 0.000 1.099 544 K CA -0.318 55.351 56.287 -1.031 0.000 1.025 544 K CB 0.657 32.281 32.500 -1.460 0.000 1.509 544 K HN 0.713 nan 8.250 nan 0.000 0.564 545 E N -1.544 118.503 120.200 -0.255 0.000 2.437 545 E HA 0.326 -1.728 4.350 -10.674 0.000 0.280 545 E C -1.148 175.535 176.600 0.137 0.000 1.044 545 E CA -1.049 55.363 56.400 0.021 0.000 0.826 545 E CB 1.261 30.985 29.700 0.039 0.000 1.358 545 E HN -0.130 nan 8.360 nan 0.000 0.459 546 S N 0.380 116.178 115.700 0.164 0.000 2.457 546 S HA 0.334 -1.600 4.470 -10.674 0.000 0.216 546 S C -0.774 173.946 174.600 0.200 0.000 1.392 546 S CA -0.559 57.738 58.200 0.161 0.000 1.102 546 S CB -0.013 63.266 63.200 0.133 0.000 1.114 546 S HN 0.366 nan 8.310 nan 0.000 0.484 547 R N 2.049 122.712 120.500 0.270 0.000 2.360 547 R HA 0.560 -1.505 4.340 -10.674 0.000 0.318 547 R C 0.966 177.491 176.300 0.375 0.000 0.950 547 R CA 0.357 56.647 56.100 0.316 0.000 0.837 547 R CB 0.568 31.088 30.300 0.366 0.000 1.165 547 R HN 0.718 nan 8.270 nan 0.000 0.458 548 G N 2.794 111.753 108.800 0.264 0.000 2.622 548 G HA2 -0.464 -2.908 3.960 -10.674 0.000 0.307 548 G HA3 -0.464 -2.908 3.960 -10.674 0.000 0.307 548 G C 0.738 175.772 174.900 0.223 0.000 1.226 548 G CA 0.432 45.672 45.100 0.233 0.000 0.997 548 G HN 0.777 nan 8.290 nan 0.000 0.551 549 A N -0.759 122.235 122.820 0.291 0.000 2.119 549 A HA 0.138 -1.946 4.320 -10.674 0.000 0.217 549 A C 1.287 178.993 177.584 0.203 0.000 1.153 549 A CA 1.779 53.962 52.037 0.244 0.000 0.692 549 A CB -0.345 18.837 19.000 0.304 0.000 0.799 549 A HN 0.979 nan 8.150 nan 0.000 0.458 550 H N 0.455 119.601 119.070 0.128 0.000 2.820 550 H HA 0.550 -1.300 4.556 -10.676 0.000 0.278 550 H C -0.897 174.425 175.328 -0.010 0.000 1.142 550 H CA 0.266 56.286 56.048 -0.047 0.000 1.346 550 H CB 0.327 29.881 29.762 -0.348 0.000 1.438 550 H HN 0.202 nan 8.280 nan 0.000 0.473 551 A N 7.397 130.048 122.820 -0.282 0.000 2.323 551 A HA 0.387 -1.698 4.320 -10.674 0.000 0.305 551 A C -0.138 177.339 177.584 -0.177 0.000 1.275 551 A CA -0.906 51.030 52.037 -0.168 0.000 0.804 551 A CB 0.562 19.458 19.000 -0.173 0.000 1.152 551 A HN 0.617 nan 8.150 nan 0.000 0.487 552 R N 2.017 122.459 120.500 -0.097 0.000 2.340 552 R HA 0.187 -1.877 4.340 -10.674 0.000 0.300 552 R C 0.434 176.796 176.300 0.103 0.000 1.069 552 R CA -0.286 55.816 56.100 0.003 0.000 0.984 552 R CB 0.981 31.341 30.300 0.101 0.000 1.003 552 R HN 0.805 nan 8.270 nan 0.000 0.459 553 E N 1.680 121.945 120.200 0.109 0.000 2.106 553 E HA -0.176 -2.230 4.350 -10.674 0.000 0.192 553 E C 0.751 177.366 176.600 0.026 0.000 0.984 553 E CA 1.596 58.047 56.400 0.084 0.000 0.806 553 E CB 0.303 30.025 29.700 0.038 0.000 0.750 553 E HN 0.587 nan 8.360 nan 0.000 0.458 554 D N 0.130 120.540 120.400 0.017 0.000 2.149 554 D HA -0.130 -1.894 4.640 -10.674 0.000 0.206 554 D C 0.630 176.775 176.300 -0.259 0.000 0.967 554 D CA 0.645 54.562 54.000 -0.138 0.000 0.848 554 D CB -0.730 39.964 40.800 -0.177 0.000 0.998 554 D HN 0.086 nan 8.370 nan 0.000 0.474 555 F N 1.647 121.604 119.950 0.011 0.000 2.508 555 F HA 0.276 -1.506 4.527 -10.515 0.000 0.329 555 F C 1.336 177.155 175.800 0.032 0.000 1.198 555 F CA -0.765 57.248 58.000 0.020 0.000 1.268 555 F CB 0.544 39.542 39.000 -0.003 0.000 1.584 555 F HN -0.128 nan 8.300 nan 0.000 0.570 556 K N -0.098 120.383 120.400 0.136 0.000 2.569 556 K HA 0.051 -2.034 4.320 -10.674 0.000 0.193 556 K C -0.312 176.369 176.600 0.134 0.000 1.026 556 K CA 0.349 56.712 56.287 0.126 0.000 1.093 556 K CB -0.067 32.490 32.500 0.095 0.000 0.849 556 K HN 0.332 nan 8.250 nan 0.000 0.509 557 E N 1.635 121.931 120.200 0.159 0.000 2.277 557 E HA 0.171 -1.883 4.350 -10.674 0.000 0.274 557 E C -0.360 176.342 176.600 0.170 0.000 1.022 557 E CA -0.691 55.802 56.400 0.154 0.000 0.853 557 E CB 1.230 31.026 29.700 0.161 0.000 1.086 557 E HN -0.030 nan 8.360 nan 0.000 0.397 558 R N 2.188 122.783 120.500 0.158 0.000 2.870 558 R HA 0.184 -1.881 4.340 -10.674 0.000 0.254 558 R C -0.961 175.448 176.300 0.182 0.000 1.392 558 R CA -0.401 55.802 56.100 0.172 0.000 1.322 558 R CB -0.501 29.891 30.300 0.153 0.000 1.205 558 R HN 0.222 nan 8.270 nan 0.000 0.597 559 V N 5.337 125.382 119.914 0.218 0.000 2.397 559 V HA 0.066 -2.219 4.120 -10.674 0.000 0.262 559 V C 0.665 176.896 176.094 0.229 0.000 1.047 559 V CA 0.068 62.508 62.300 0.234 0.000 1.003 559 V CB 0.581 32.599 31.823 0.325 0.000 1.037 559 V HN 0.496 nan 8.190 nan 0.000 0.480 560 D N 3.238 123.742 120.400 0.174 0.000 2.588 560 D HA 0.289 -1.476 4.640 -10.674 0.000 0.268 560 D C 0.966 177.228 176.300 -0.064 0.000 1.176 560 D CA -0.557 53.523 54.000 0.134 0.000 1.080 560 D CB 1.243 42.208 40.800 0.275 0.000 1.186 560 D HN 0.498 nan 8.370 nan 0.000 0.619 561 E N -0.505 119.500 120.200 -0.324 0.000 2.072 561 E HA -0.091 -2.146 4.350 -10.674 0.000 0.191 561 E C -0.009 176.229 176.600 -0.603 0.000 0.985 561 E CA 1.294 57.278 56.400 -0.693 0.000 0.801 561 E CB -0.217 28.987 29.700 -0.827 0.000 0.750 561 E HN 0.379 nan 8.360 nan 0.000 0.452 562 Y N -0.082 120.045 120.300 -0.288 0.000 2.528 562 Y HA 0.331 -1.520 4.550 -10.667 0.000 0.335 562 Y C -0.307 175.361 175.900 -0.387 0.000 1.093 562 Y CA -1.528 56.297 58.100 -0.458 0.000 1.134 562 Y CB 1.107 39.067 38.460 -0.834 0.000 1.253 562 Y HN -0.240 nan 8.280 nan 0.000 0.478 563 D N 0.610 120.946 120.400 -0.107 0.000 2.435 563 D HA 0.090 -1.674 4.640 -10.674 0.000 0.230 563 D C -0.334 175.906 176.300 -0.101 0.000 1.215 563 D CA 0.223 54.194 54.000 -0.048 0.000 0.947 563 D CB -0.125 40.667 40.800 -0.013 0.000 1.048 563 D HN 0.431 nan 8.370 nan 0.000 0.512 564 Y N 1.337 121.630 120.300 -0.012 0.000 2.619 564 Y HA -0.072 -1.931 4.550 -10.682 0.000 0.308 564 Y C 2.391 178.249 175.900 -0.070 0.000 1.192 564 Y CA 0.298 58.357 58.100 -0.069 0.000 1.319 564 Y CB -0.057 38.313 38.460 -0.149 0.000 1.030 564 Y HN 0.395 nan 8.280 nan 0.000 0.517 565 S N 0.440 116.178 115.700 0.063 0.000 2.329 565 S HA -0.124 -2.059 4.470 -10.674 0.000 0.215 565 S C 0.852 175.457 174.600 0.008 0.000 1.031 565 S CA 0.152 58.372 58.200 0.033 0.000 0.985 565 S CB -0.555 62.663 63.200 0.030 0.000 0.917 565 S HN 0.396 nan 8.310 nan 0.000 0.441 566 K N 2.739 123.132 120.400 -0.011 0.000 2.270 566 K HA 0.476 -1.609 4.320 -10.674 0.000 0.276 566 K C -3.079 173.488 176.600 -0.056 0.000 1.023 566 K CA -1.917 54.354 56.287 -0.028 0.000 0.955 566 K CB -0.326 32.157 32.500 -0.028 0.000 0.975 566 K HN 0.067 nan 8.250 nan 0.000 0.471 567 P HA -0.036 nan 4.420 nan 0.000 0.268 567 P C -0.490 176.733 177.300 -0.130 0.000 1.204 567 P CA -0.469 62.585 63.100 -0.077 0.000 0.768 567 P CB 0.299 31.965 31.700 -0.056 0.000 0.842 568 I N 2.805 123.251 120.570 -0.206 0.000 2.578 568 I HA 0.023 -2.211 4.170 -10.674 0.000 0.286 568 I C 0.660 176.655 176.117 -0.203 0.000 1.126 568 I CA 0.983 62.098 61.300 -0.309 0.000 1.380 568 I CB -0.132 37.505 38.000 -0.605 0.000 1.408 568 I HN 0.335 nan 8.210 nan 0.000 0.532 569 Q N 5.836 125.549 119.800 -0.145 0.000 1.845 569 Q HA 0.445 -1.619 4.340 -10.674 0.000 0.152 569 Q C 1.245 177.206 176.000 -0.065 0.000 0.453 569 Q CA 0.740 56.489 55.803 -0.091 0.000 0.693 569 Q CB -0.072 28.628 28.738 -0.064 0.000 0.936 569 Q HN 0.545 nan 8.270 nan 0.000 0.323 570 G N 0.815 109.590 108.800 -0.041 0.000 3.314 570 G HA2 0.095 -2.349 3.960 -10.674 0.000 0.238 570 G HA3 0.095 -2.349 3.960 -10.674 0.000 0.238 570 G C -0.302 174.595 174.900 -0.005 0.000 1.184 570 G CA -0.178 44.910 45.100 -0.019 0.000 0.806 570 G HN 0.277 nan 8.290 nan 0.000 0.536 571 Q N 0.678 120.472 119.800 -0.010 0.000 2.304 571 Q HA 0.204 -1.860 4.340 -10.674 0.000 0.260 571 Q C 0.055 176.123 176.000 0.113 0.000 0.965 571 Q CA -0.260 55.564 55.803 0.035 0.000 0.898 571 Q CB 0.602 29.351 28.738 0.018 0.000 1.196 571 Q HN 0.345 nan 8.270 nan 0.000 0.402 572 Q N 3.276 123.128 119.800 0.087 0.000 2.261 572 Q HA 0.138 -1.927 4.340 -10.674 0.000 0.252 572 Q C -0.869 175.145 176.000 0.025 0.000 0.915 572 Q CA -0.283 55.564 55.803 0.074 0.000 0.915 572 Q CB 1.089 29.840 28.738 0.022 0.000 1.204 572 Q HN 0.491 nan 8.270 nan 0.000 0.421 573 K N 2.892 123.281 120.400 -0.018 0.000 2.382 573 K HA 0.064 -2.020 4.320 -10.674 0.000 0.275 573 K C -0.674 175.780 176.600 -0.245 0.000 1.009 573 K CA 0.193 56.276 56.287 -0.341 0.000 0.970 573 K CB 0.598 32.983 32.500 -0.191 0.000 0.934 573 K HN 0.391 nan 8.250 nan 0.000 0.479 574 K N 4.563 124.766 120.400 -0.329 0.000 2.143 574 K HA 0.263 -1.821 4.320 -10.674 0.000 0.272 574 K C -2.297 174.290 176.600 -0.023 0.000 1.001 574 K CA -1.933 54.268 56.287 -0.144 0.000 0.915 574 K CB 1.115 33.538 32.500 -0.127 0.000 1.047 574 K HN 0.455 nan 8.250 nan 0.000 0.458 575 P HA -0.087 nan 4.420 nan 0.000 0.270 575 P C 0.043 177.403 177.300 0.100 0.000 1.227 575 P CA 0.002 63.138 63.100 0.060 0.000 0.788 575 P CB 0.374 32.078 31.700 0.008 0.000 0.926 576 F N 1.068 120.984 119.950 -0.058 0.000 2.146 576 F HA -0.162 -2.010 4.527 -10.625 0.000 0.298 576 F C 1.865 177.392 175.800 -0.456 0.000 1.096 576 F CA 1.177 59.054 58.000 -0.206 0.000 1.275 576 F CB -0.028 38.916 39.000 -0.093 0.000 1.008 576 F HN 0.262 nan 8.300 nan 0.000 0.480 577 Q N 0.557 120.228 119.800 -0.216 0.000 2.259 577 Q HA -0.026 -2.090 4.340 -10.674 0.000 0.228 577 Q C 0.462 176.182 176.000 -0.467 0.000 0.909 577 Q CA 0.522 56.101 55.803 -0.374 0.000 0.948 577 Q CB 0.282 28.939 28.738 -0.135 0.000 1.041 577 Q HN 0.653 nan 8.270 nan 0.000 0.445 578 E N 0.442 120.317 120.200 -0.543 0.000 2.571 578 E HA 0.002 -2.052 4.350 -10.674 0.000 0.204 578 E C 0.207 176.502 176.600 -0.508 0.000 0.851 578 E CA -0.101 56.048 56.400 -0.417 0.000 1.358 578 E CB 0.328 29.917 29.700 -0.185 0.000 1.327 578 E HN 0.600 nan 8.360 nan 0.000 0.665 579 H N -2.004 116.766 119.070 -0.500 0.000 2.509 579 H HA 0.105 -1.740 4.556 -10.667 0.000 0.359 579 H C -0.578 174.366 175.328 -0.640 0.000 1.253 579 H CA -0.484 55.311 56.048 -0.422 0.000 1.373 579 H CB 0.473 30.088 29.762 -0.245 0.000 1.555 579 H HN 0.163 nan 8.280 nan 0.000 0.586 580 W N 0.600 121.839 121.300 -0.103 0.000 2.926 580 W HA 0.292 4.807 4.660 -0.240 0.000 0.419 580 W C 0.939 177.428 176.519 -0.050 0.000 0.993 580 W CA -0.616 56.619 57.345 -0.184 0.000 2.025 580 W CB 0.555 29.950 29.460 -0.108 0.000 1.152 580 W HN 0.412 nan 8.180 nan 0.000 0.659 581 R N 3.296 123.951 120.500 0.260 0.000 3.657 581 R HA 0.137 -1.928 4.340 -10.674 0.000 0.220 581 R C -0.105 176.237 176.300 0.070 0.000 1.548 581 R CA 0.224 56.456 56.100 0.219 0.000 1.465 581 R CB -0.707 29.735 30.300 0.237 0.000 1.330 581 R HN 0.032 nan 8.270 nan 0.000 0.707 582 K N 0.212 120.602 120.400 -0.017 0.000 2.579 582 K HA 0.267 -1.817 4.320 -10.674 0.000 0.284 582 K C -1.299 175.350 176.600 0.082 0.000 0.990 582 K CA -1.080 55.176 56.287 -0.052 0.000 0.880 582 K CB 0.987 33.333 32.500 -0.256 0.000 1.488 582 K HN 0.115 nan 8.250 nan 0.000 0.425 583 H N 0.965 120.189 119.070 0.256 0.000 2.646 583 H HA 0.174 -1.673 4.556 -10.673 0.000 0.325 583 H C -0.398 175.107 175.328 0.296 0.000 1.075 583 H CA -0.061 56.120 56.048 0.221 0.000 1.421 583 H CB 1.288 31.112 29.762 0.103 0.000 1.461 583 H HN 0.473 nan 8.280 nan 0.000 0.525 584 T N 5.746 120.545 114.554 0.407 0.000 2.739 584 T HA 0.257 -1.797 4.350 -10.674 0.000 0.298 584 T C 0.867 175.535 174.700 -0.053 0.000 0.929 584 T CA -0.506 61.685 62.100 0.151 0.000 1.014 584 T CB -0.215 68.796 68.868 0.239 0.000 0.914 584 T HN 0.228 nan 8.240 nan 0.000 0.509 585 L N 3.965 125.053 121.223 -0.225 0.000 2.264 585 L HA 0.477 -1.588 4.340 -10.674 0.000 0.289 585 L C 0.573 177.282 176.870 -0.268 0.000 1.044 585 L CA -0.591 54.108 54.840 -0.234 0.000 0.807 585 L CB 1.100 43.033 42.059 -0.209 0.000 1.192 585 L HN 0.628 nan 8.230 nan 0.000 0.425 586 S N 1.937 117.456 115.700 -0.301 0.000 2.473 586 S HA 0.711 -1.223 4.470 -10.674 0.000 0.307 586 S C -0.944 173.438 174.600 -0.363 0.000 1.094 586 S CA -0.764 57.297 58.200 -0.231 0.000 1.070 586 S CB 1.100 64.207 63.200 -0.154 0.000 1.019 586 S HN 0.324 nan 8.310 nan 0.000 0.480 587 Y N 0.812 121.043 120.300 -0.114 0.000 2.567 587 Y HA 0.772 -1.085 4.550 -10.679 0.000 0.333 587 Y C -0.026 175.787 175.900 -0.145 0.000 1.106 587 Y CA -1.113 56.922 58.100 -0.109 0.000 1.157 587 Y CB 1.940 40.348 38.460 -0.086 0.000 1.277 587 Y HN 0.681 nan 8.280 nan 0.000 0.490 588 V N 1.886 121.811 119.914 0.019 0.000 2.655 588 V HA 0.311 -1.974 4.120 -10.674 0.000 0.301 588 V C -1.519 174.529 176.094 -0.077 0.000 1.082 588 V CA -0.673 61.567 62.300 -0.099 0.000 0.899 588 V CB 1.546 33.252 31.823 -0.196 0.000 1.014 588 V HN 0.827 nan 8.190 nan 0.000 0.429 589 D N 4.579 124.921 120.400 -0.097 0.000 2.371 589 D HA 0.204 -1.561 4.640 -10.674 0.000 0.256 589 D C 1.070 177.322 176.300 -0.081 0.000 1.193 589 D CA 0.368 54.326 54.000 -0.071 0.000 0.881 589 D CB 1.909 42.667 40.800 -0.069 0.000 1.143 589 D HN 0.363 nan 8.370 nan 0.000 0.473 590 V N 4.677 124.582 119.914 -0.014 0.000 2.515 590 V HA -0.164 -2.449 4.120 -10.674 0.000 0.250 590 V C 2.340 178.520 176.094 0.143 0.000 1.058 590 V CA 1.441 63.783 62.300 0.069 0.000 1.064 590 V CB -0.562 31.308 31.823 0.079 0.000 0.675 590 V HN 0.599 nan 8.190 nan 0.000 0.461 591 K N 0.818 121.261 120.400 0.072 0.000 2.021 591 K HA -0.145 -2.229 4.320 -10.674 0.000 0.205 591 K C 2.373 179.026 176.600 0.089 0.000 1.047 591 K CA 1.819 58.157 56.287 0.084 0.000 0.943 591 K CB -0.283 32.240 32.500 0.038 0.000 0.725 591 K HN 0.627 nan 8.250 nan 0.000 0.439 592 T N -2.673 111.893 114.554 0.019 0.000 2.951 592 T HA 0.050 -2.005 4.350 -10.674 0.000 0.268 592 T C 1.359 176.026 174.700 -0.055 0.000 1.073 592 T CA 0.911 63.007 62.100 -0.006 0.000 1.134 592 T CB -0.330 68.517 68.868 -0.035 0.000 0.884 592 T HN 0.439 nan 8.240 nan 0.000 0.479 593 G N 1.370 110.056 108.800 -0.190 0.000 2.176 593 G HA2 -0.254 -2.699 3.960 -10.674 0.000 0.252 593 G HA3 -0.254 -2.699 3.960 -10.674 0.000 0.252 593 G C -0.115 174.504 174.900 -0.468 0.000 1.024 593 G CA 0.323 45.066 45.100 -0.596 0.000 0.755 593 G HN 0.800 nan 8.290 nan 0.000 0.507 594 K N 0.003 120.211 120.400 -0.320 0.000 2.123 594 K HA 0.630 -1.454 4.320 -10.674 0.000 0.259 594 K C -0.196 176.188 176.600 -0.361 0.000 0.960 594 K CA -0.666 55.433 56.287 -0.314 0.000 0.872 594 K CB 1.664 34.060 32.500 -0.173 0.000 1.079 594 K HN 0.020 nan 8.250 nan 0.000 0.440 595 V N 3.395 123.004 119.914 -0.508 0.000 2.347 595 V HA 0.185 -2.100 4.120 -10.674 0.000 0.280 595 V C -0.282 175.689 176.094 -0.205 0.000 1.021 595 V CA -0.659 61.401 62.300 -0.400 0.000 0.847 595 V CB 1.157 32.628 31.823 -0.586 0.000 0.990 595 V HN 0.861 nan 8.190 nan 0.000 0.444 596 S N 6.649 122.299 115.700 -0.083 0.000 2.451 596 S HA 0.886 -1.049 4.470 -10.674 0.000 0.301 596 S C -0.747 173.890 174.600 0.061 0.000 1.116 596 S CA -0.743 57.451 58.200 -0.010 0.000 1.093 596 S CB 1.414 64.596 63.200 -0.031 0.000 1.017 596 S HN 0.720 nan 8.310 nan 0.000 0.482 597 L N 0.487 121.739 121.223 0.049 0.000 2.408 597 L HA 0.862 -1.202 4.340 -10.674 0.000 0.268 597 L C -0.524 176.312 176.870 -0.056 0.000 0.986 597 L CA -0.949 53.893 54.840 0.002 0.000 0.820 597 L CB 1.638 43.645 42.059 -0.088 0.000 1.303 597 L HN 0.856 nan 8.230 nan 0.000 0.411 598 E N 1.226 121.373 120.200 -0.090 0.000 2.412 598 E HA 0.635 -1.420 4.350 -10.674 0.000 0.255 598 E C -1.591 174.794 176.600 -0.358 0.000 0.933 598 E CA -1.003 55.352 56.400 -0.074 0.000 0.823 598 E CB 1.655 31.448 29.700 0.154 0.000 1.352 598 E HN 0.581 nan 8.360 nan 0.000 0.406 599 Y N -0.874 119.520 120.300 0.157 0.000 2.576 599 Y HA 0.510 -1.296 4.550 -10.594 0.000 0.346 599 Y C -0.303 175.678 175.900 0.134 0.000 1.018 599 Y CA -1.064 57.124 58.100 0.147 0.000 1.050 599 Y CB 2.374 40.913 38.460 0.131 0.000 1.280 599 Y HN 0.628 nan 8.280 nan 0.000 0.474 600 R N 0.590 121.255 120.500 0.275 0.000 2.698 600 R HA 0.691 -1.374 4.340 -10.674 0.000 0.275 600 R C -3.520 173.015 176.300 0.392 0.000 1.001 600 R CA -2.227 53.953 56.100 0.134 0.000 0.896 600 R CB 2.156 32.191 30.300 -0.441 0.000 1.218 600 R HN 0.215 nan 8.270 nan 0.000 0.462 601 P HA -0.020 nan 4.420 nan 0.000 0.268 601 P C -0.132 177.288 177.300 0.200 0.000 1.205 601 P CA -0.490 62.822 63.100 0.355 0.000 0.771 601 P CB 0.649 32.443 31.700 0.156 0.000 0.858 602 V N 1.307 121.258 119.914 0.062 0.000 2.811 602 V HA 0.215 -2.070 4.120 -10.674 0.000 0.302 602 V C 0.405 176.585 176.094 0.143 0.000 1.063 602 V CA -0.391 61.891 62.300 -0.029 0.000 1.088 602 V CB -0.216 31.540 31.823 -0.112 0.000 0.982 602 V HN 0.267 nan 8.190 nan 0.000 0.485 603 I N 3.174 123.858 120.570 0.190 0.000 2.416 603 I HA 0.249 -1.986 4.170 -10.674 0.000 0.288 603 I C 0.687 176.905 176.117 0.167 0.000 1.051 603 I CA 0.138 61.541 61.300 0.172 0.000 1.375 603 I CB 0.758 38.862 38.000 0.173 0.000 1.407 603 I HN 0.684 nan 8.210 nan 0.000 0.516 604 D N 4.289 124.787 120.400 0.163 0.000 2.394 604 D HA 0.008 -1.757 4.640 -10.674 0.000 0.226 604 D C 0.632 177.043 176.300 0.185 0.000 0.990 604 D CA 0.499 54.606 54.000 0.179 0.000 0.902 604 D CB 0.358 41.261 40.800 0.173 0.000 1.038 604 D HN 0.529 nan 8.370 nan 0.000 0.499 605 K N 1.452 121.945 120.400 0.155 0.000 2.355 605 K HA 0.229 -1.855 4.320 -10.674 0.000 0.270 605 K C 0.604 177.296 176.600 0.153 0.000 1.003 605 K CA -0.197 56.174 56.287 0.140 0.000 0.957 605 K CB 0.709 33.271 32.500 0.103 0.000 0.939 605 K HN -0.112 nan 8.250 nan 0.000 0.482 606 T N -0.252 114.394 114.554 0.152 0.000 2.865 606 T HA 0.173 -1.882 4.350 -10.674 0.000 0.302 606 T C 1.310 176.041 174.700 0.052 0.000 1.078 606 T CA -0.747 61.455 62.100 0.170 0.000 0.942 606 T CB 0.262 69.252 68.868 0.203 0.000 1.387 606 T HN 0.573 nan 8.240 nan 0.000 0.557 607 L N -0.217 120.971 121.223 -0.059 0.000 2.127 607 L HA 0.279 -1.786 4.340 -10.674 0.000 0.203 607 L C 0.928 177.736 176.870 -0.104 0.000 1.080 607 L CA 0.770 55.450 54.840 -0.266 0.000 0.768 607 L CB -0.310 41.347 42.059 -0.670 0.000 0.924 607 L HN 0.652 nan 8.230 nan 0.000 0.444 608 N N -0.752 117.971 118.700 0.039 0.000 2.558 608 N HA 0.073 -1.591 4.740 -10.674 0.000 0.285 608 N C 0.286 175.866 175.510 0.117 0.000 1.112 608 N CA -0.148 52.957 53.050 0.092 0.000 0.857 608 N CB 1.245 39.792 38.487 0.101 0.000 1.376 608 N HN -0.091 nan 8.380 nan 0.000 0.526 609 E N 3.011 123.250 120.200 0.066 0.000 2.160 609 E HA -0.081 -2.135 4.350 -10.674 0.000 0.195 609 E C 1.487 178.098 176.600 0.018 0.000 0.991 609 E CA 1.821 58.245 56.400 0.040 0.000 0.810 609 E CB 0.028 29.751 29.700 0.038 0.000 0.742 609 E HN 0.685 nan 8.360 nan 0.000 0.466 610 A N 0.154 122.990 122.820 0.027 0.000 1.898 610 A HA -0.172 -2.257 4.320 -10.674 0.000 0.216 610 A C 2.077 179.665 177.584 0.007 0.000 1.181 610 A CA 1.908 53.954 52.037 0.015 0.000 0.620 610 A CB -0.626 18.388 19.000 0.023 0.000 0.819 610 A HN 0.357 nan 8.150 nan 0.000 0.442 611 D N -2.289 118.132 120.400 0.036 0.000 2.216 611 D HA 0.008 -1.756 4.640 -10.674 0.000 0.208 611 D C 0.155 176.407 176.300 -0.080 0.000 0.960 611 D CA 0.941 54.962 54.000 0.035 0.000 0.861 611 D CB 0.234 41.122 40.800 0.147 0.000 0.985 611 D HN 0.304 nan 8.370 nan 0.000 0.493 612 C N 1.050 120.282 119.300 -0.113 0.000 2.522 612 C HA 0.819 -1.126 4.460 -10.674 0.000 0.344 612 C C -0.467 174.374 174.990 -0.250 0.000 1.104 612 C CA -0.697 58.102 59.018 -0.365 0.000 1.317 612 C CB -0.244 27.001 27.740 -0.826 0.000 1.896 612 C HN 0.311 nan 8.230 nan 0.000 0.443 613 A N 4.761 127.474 122.820 -0.178 0.000 2.327 613 A HA 0.665 -1.419 4.320 -10.674 0.000 0.283 613 A C 0.525 178.146 177.584 0.061 0.000 1.127 613 A CA 0.034 52.042 52.037 -0.048 0.000 0.810 613 A CB 0.362 19.339 19.000 -0.038 0.000 1.066 613 A HN 0.881 nan 8.150 nan 0.000 0.492 614 T N 1.402 116.039 114.554 0.139 0.000 2.928 614 T HA 0.320 -1.735 4.350 -10.674 0.000 0.305 614 T C 0.068 174.945 174.700 0.294 0.000 1.035 614 T CA 0.264 62.529 62.100 0.275 0.000 1.145 614 T CB 0.253 69.247 68.868 0.211 0.000 0.963 614 T HN 0.414 nan 8.240 nan 0.000 0.545 615 V N 7.451 127.603 119.914 0.396 0.000 2.293 615 V HA 0.284 -2.000 4.120 -10.674 0.000 0.275 615 V C -2.085 174.269 176.094 0.433 0.000 1.021 615 V CA -1.936 60.589 62.300 0.376 0.000 0.815 615 V CB 0.829 32.921 31.823 0.449 0.000 1.025 615 V HN 0.714 nan 8.190 nan 0.000 0.448 616 P HA 0.293 nan 4.420 nan 0.000 0.274 616 P C -2.616 174.430 177.300 -0.422 0.000 1.231 616 P CA -1.535 61.575 63.100 0.017 0.000 0.790 616 P CB -0.096 31.601 31.700 -0.005 0.000 0.951 617 P HA 0.188 nan 4.420 nan 0.000 0.266 617 P C -0.690 175.705 177.300 -1.507 0.000 1.193 617 P CA 0.808 62.536 63.100 -2.286 0.000 0.770 617 P CB 0.237 30.710 31.700 -2.045 0.000 0.836 618 A N 2.349 124.335 122.820 -1.390 0.000 2.529 618 A HA 0.576 -1.508 4.320 -10.674 0.000 0.296 618 A C -0.842 176.536 177.584 -0.344 0.000 1.205 618 A CA -0.804 50.904 52.037 -0.549 0.000 0.671 618 A CB 0.410 19.248 19.000 -0.269 0.000 1.301 618 A HN 0.403 nan 8.150 nan 0.000 0.450 619 I N 1.163 121.669 120.570 -0.108 0.000 2.662 619 I HA 0.135 -2.100 4.170 -10.674 0.000 0.285 619 I C 0.914 177.052 176.117 0.035 0.000 1.161 619 I CA 0.655 61.946 61.300 -0.015 0.000 1.415 619 I CB 0.206 38.216 38.000 0.016 0.000 1.385 619 I HN 0.552 nan 8.210 nan 0.000 0.552 620 R N 6.232 126.790 120.500 0.097 0.000 2.272 620 R HA 0.482 -1.582 4.340 -10.674 0.000 0.323 620 R C -1.161 175.227 176.300 0.146 0.000 1.002 620 R CA -0.211 55.994 56.100 0.176 0.000 0.900 620 R CB 0.738 31.244 30.300 0.344 0.000 1.151 620 R HN 0.818 nan 8.270 nan 0.000 0.507 621 S N 2.563 118.311 115.700 0.079 0.000 2.543 621 S HA 0.381 -1.554 4.470 -10.674 0.000 0.273 621 S C -1.225 173.402 174.600 0.045 0.000 1.152 621 S CA -0.891 57.386 58.200 0.129 0.000 0.910 621 S CB 0.795 64.065 63.200 0.116 0.000 1.105 621 S HN 0.392 nan 8.310 nan 0.000 0.465 622 Y N 0.000 120.340 120.300 0.067 0.000 2.660 622 Y HA 0.000 -1.856 4.550 -10.677 0.000 0.201 622 Y CA 0.000 58.132 58.100 0.053 0.000 1.940 622 Y CB 0.000 38.480 38.460 0.033 0.000 1.050 622 Y HN 0.000 nan 8.280 nan 0.000 0.758