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 3aed_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 0.000 174.679 174.600 0.132 0.000 1.055 10 S CA 0.000 58.314 58.200 0.191 0.000 1.107 10 S CB 0.000 63.264 63.200 0.107 0.000 0.593 11 T N 1.005 115.623 114.554 0.107 0.000 10.222 11 T HA -0.338 1.059 4.350 -4.922 0.000 0.382 11 T C 1.288 175.996 174.700 0.012 0.000 1.698 11 T CA 2.128 64.258 62.100 0.051 0.000 2.662 11 T CB -0.911 67.973 68.868 0.027 0.000 2.712 11 T HN 0.607 nan 8.240 nan 0.000 1.066 12 Q N 0.069 119.855 119.800 -0.024 0.000 2.311 12 Q HA 0.227 1.614 4.340 -4.922 0.000 0.203 12 Q C -0.043 175.779 176.000 -0.295 0.000 0.954 12 Q CA 0.914 56.607 55.803 -0.182 0.000 0.885 12 Q CB 0.174 28.744 28.738 -0.280 0.000 0.963 12 Q HN 0.758 nan 8.270 nan 0.000 0.471 13 Y N 0.223 120.539 120.300 0.025 0.000 2.387 13 Y HA 0.477 2.075 4.550 -4.921 0.000 0.336 13 Y C -1.913 173.986 175.900 -0.002 0.000 1.067 13 Y CA -2.879 55.229 58.100 0.013 0.000 1.114 13 Y CB 1.067 39.535 38.460 0.012 0.000 1.208 13 Y HN 0.040 nan 8.280 nan 0.000 0.458 14 P HA 0.335 nan 4.420 nan 0.000 0.288 14 P C -1.304 176.006 177.300 0.016 0.000 1.267 14 P CA -0.659 62.476 63.100 0.058 0.000 0.815 14 P CB 1.322 33.041 31.700 0.031 0.000 0.989 15 V N 0.252 120.160 119.914 -0.010 0.000 2.459 15 V HA 0.641 1.808 4.120 -4.922 0.000 0.295 15 V C -0.427 175.618 176.094 -0.080 0.000 1.029 15 V CA -0.824 61.448 62.300 -0.046 0.000 0.874 15 V CB 1.821 33.639 31.823 -0.008 0.000 0.985 15 V HN 0.231 nan 8.190 nan 0.000 0.438 16 V N 3.592 123.425 119.914 -0.135 0.000 2.357 16 V HA 0.388 1.555 4.120 -4.922 0.000 0.281 16 V C -0.913 175.141 176.094 -0.067 0.000 1.015 16 V CA -0.277 61.955 62.300 -0.114 0.000 0.827 16 V CB 1.118 32.882 31.823 -0.099 0.000 1.018 16 V HN 0.971 nan 8.190 nan 0.000 0.432 17 D N 3.668 124.021 120.400 -0.078 0.000 2.339 17 D HA 0.318 2.005 4.640 -4.922 0.000 0.241 17 D C 0.159 176.416 176.300 -0.072 0.000 1.183 17 D CA 0.073 54.064 54.000 -0.014 0.000 0.859 17 D CB 0.375 41.177 40.800 0.005 0.000 1.067 17 D HN 0.480 nan 8.370 nan 0.000 0.484 18 H N 1.302 120.473 119.070 0.169 0.000 2.472 18 H HA 0.349 1.952 4.556 -4.922 0.000 0.335 18 H C -0.220 175.187 175.328 0.131 0.000 1.136 18 H CA -0.302 55.870 56.048 0.205 0.000 1.264 18 H CB 1.709 31.737 29.762 0.444 0.000 1.486 18 H HN 0.405 nan 8.280 nan 0.000 0.517 19 E N 2.450 122.690 120.200 0.067 0.000 2.191 19 E HA 0.383 1.780 4.350 -4.922 0.000 0.263 19 E C -1.516 174.917 176.600 -0.278 0.000 0.881 19 E CA -0.373 56.011 56.400 -0.026 0.000 0.757 19 E CB 0.992 30.652 29.700 -0.066 0.000 1.147 19 E HN 0.315 nan 8.360 nan 0.000 0.414 20 F N 1.464 121.453 119.950 0.065 0.000 2.664 20 F HA 0.251 1.825 4.527 -4.921 0.000 0.317 20 F C 0.969 176.802 175.800 0.055 0.000 1.108 20 F CA -0.745 57.290 58.000 0.058 0.000 0.957 20 F CB 1.682 40.704 39.000 0.038 0.000 1.365 20 F HN 0.405 nan 8.300 nan 0.000 0.475 21 D N 0.634 121.218 120.400 0.305 0.000 2.103 21 D HA 0.177 1.864 4.640 -4.922 0.000 0.199 21 D C 0.077 176.483 176.300 0.177 0.000 0.978 21 D CA 1.267 55.420 54.000 0.256 0.000 0.829 21 D CB 0.197 41.223 40.800 0.376 0.000 0.981 21 D HN 0.402 nan 8.370 nan 0.000 0.464 22 A N 0.082 122.974 122.820 0.120 0.000 2.488 22 A HA 0.537 1.904 4.320 -4.922 0.000 0.298 22 A C -1.039 176.484 177.584 -0.103 0.000 1.044 22 A CA -0.581 51.433 52.037 -0.040 0.000 0.693 22 A CB 1.782 20.666 19.000 -0.193 0.000 1.272 22 A HN -0.100 nan 8.150 nan 0.000 0.402 23 V N 2.048 121.882 119.914 -0.132 0.000 2.435 23 V HA 0.550 1.717 4.120 -4.922 0.000 0.290 23 V C -0.343 175.634 176.094 -0.195 0.000 1.030 23 V CA -0.516 61.656 62.300 -0.213 0.000 0.881 23 V CB 1.580 33.281 31.823 -0.204 0.000 0.983 23 V HN 0.663 nan 8.190 nan 0.000 0.445 24 V N 5.340 125.118 119.914 -0.225 0.000 2.378 24 V HA 0.345 1.512 4.120 -4.922 0.000 0.288 24 V C -0.173 175.821 176.094 -0.166 0.000 1.016 24 V CA -0.593 61.602 62.300 -0.176 0.000 0.840 24 V CB 1.825 33.545 31.823 -0.171 0.000 0.994 24 V HN 0.613 nan 8.190 nan 0.000 0.431 25 V N 4.486 124.320 119.914 -0.134 0.000 2.304 25 V HA 0.851 2.018 4.120 -4.922 0.000 0.262 25 V C 0.702 176.740 176.094 -0.094 0.000 1.061 25 V CA 0.358 62.580 62.300 -0.131 0.000 0.872 25 V CB 0.377 32.117 31.823 -0.138 0.000 1.077 25 V HN 1.192 nan 8.190 nan 0.000 0.480 26 G N 3.647 112.403 108.800 -0.074 0.000 2.462 26 G HA2 0.437 1.444 3.960 -4.922 0.000 0.424 26 G HA3 0.437 1.444 3.960 -4.922 0.000 0.424 26 G C -0.360 174.537 174.900 -0.005 0.000 1.573 26 G CA -0.165 44.912 45.100 -0.039 0.000 0.913 26 G HN 1.046 nan 8.290 nan 0.000 0.672 27 A N 0.971 123.798 122.820 0.011 0.000 2.637 27 A HA 0.776 2.143 4.320 -4.922 0.000 0.293 27 A C 1.368 178.956 177.584 0.008 0.000 1.216 27 A CA 1.139 53.197 52.037 0.034 0.000 0.956 27 A CB -0.136 18.879 19.000 0.024 0.000 1.174 27 A HN 1.991 nan 8.150 nan 0.000 0.525 28 G N -0.609 108.203 108.800 0.019 0.000 2.485 28 G HA2 0.374 1.381 3.960 -4.922 0.000 0.260 28 G HA3 0.374 1.381 3.960 -4.922 0.000 0.260 28 G C 1.152 176.079 174.900 0.045 0.000 1.459 28 G CA 0.246 45.362 45.100 0.027 0.000 1.060 28 G HN 0.500 nan 8.290 nan 0.000 0.546 29 G N -0.412 108.424 108.800 0.060 0.000 2.394 29 G HA2 0.113 1.120 3.960 -4.922 0.000 0.215 29 G HA3 0.113 1.120 3.960 -4.922 0.000 0.215 29 G C 1.993 176.953 174.900 0.100 0.000 1.165 29 G CA 1.743 46.894 45.100 0.084 0.000 0.784 29 G HN 0.870 nan 8.290 nan 0.000 0.535 30 A N 0.967 123.843 122.820 0.094 0.000 1.865 30 A HA 0.131 1.498 4.320 -4.922 0.000 0.217 30 A C 2.705 180.324 177.584 0.059 0.000 1.191 30 A CA 2.231 54.323 52.037 0.092 0.000 0.623 30 A CB -1.156 17.901 19.000 0.096 0.000 0.826 30 A HN 0.519 nan 8.150 nan 0.000 0.444 31 G N -0.665 108.162 108.800 0.045 0.000 2.402 31 G HA2 -0.047 0.960 3.960 -4.922 0.000 0.216 31 G HA3 -0.047 0.960 3.960 -4.922 0.000 0.216 31 G C 1.403 176.327 174.900 0.040 0.000 1.162 31 G CA 1.095 46.207 45.100 0.020 0.000 0.777 31 G HN 0.325 nan 8.290 nan 0.000 0.539 32 L N 0.445 121.728 121.223 0.100 0.000 2.017 32 L HA 0.075 1.462 4.340 -4.922 0.000 0.208 32 L C 2.776 179.792 176.870 0.242 0.000 1.073 32 L CA 1.492 56.447 54.840 0.192 0.000 0.745 32 L CB -0.786 41.388 42.059 0.191 0.000 0.894 32 L HN 0.163 nan 8.230 nan 0.000 0.432 33 R N -0.150 120.449 120.500 0.165 0.000 2.096 33 R HA -0.100 1.287 4.340 -4.922 0.000 0.235 33 R C 2.126 178.277 176.300 -0.249 0.000 1.127 33 R CA 1.636 57.758 56.100 0.037 0.000 0.968 33 R CB -0.634 29.715 30.300 0.082 0.000 0.861 33 R HN 0.349 nan 8.270 nan 0.000 0.440 34 A N 0.045 122.781 122.820 -0.139 0.000 1.898 34 A HA 0.053 1.420 4.320 -4.922 0.000 0.216 34 A C 2.339 179.773 177.584 -0.250 0.000 1.181 34 A CA 1.540 53.456 52.037 -0.202 0.000 0.620 34 A CB -1.049 17.870 19.000 -0.135 0.000 0.819 34 A HN 0.465 nan 8.150 nan 0.000 0.442 35 A N 0.131 122.855 122.820 -0.160 0.000 1.834 35 A HA -0.038 1.329 4.320 -4.922 0.000 0.216 35 A C 2.064 179.552 177.584 -0.161 0.000 1.203 35 A CA 1.835 53.779 52.037 -0.155 0.000 0.621 35 A CB -1.114 17.824 19.000 -0.103 0.000 0.841 35 A HN 1.134 nan 8.150 nan 0.000 0.446 36 F N 0.648 120.500 119.950 -0.163 0.000 2.293 36 F HA 0.169 1.743 4.527 -4.922 0.000 0.300 36 F C 1.968 177.519 175.800 -0.415 0.000 1.086 36 F CA 0.945 58.793 58.000 -0.253 0.000 1.375 36 F CB -0.974 37.926 39.000 -0.167 0.000 1.045 36 F HN 0.127 nan 8.300 nan 0.000 0.516 37 G N 1.541 109.659 108.800 -1.137 0.000 2.422 37 G HA2 -0.175 0.832 3.960 -4.922 0.000 0.218 37 G HA3 -0.175 0.832 3.960 -4.922 0.000 0.218 37 G C 1.729 176.360 174.900 -0.448 0.000 1.146 37 G CA 1.041 45.623 45.100 -0.863 0.000 0.769 37 G HN 0.475 nan 8.290 nan 0.000 0.547 38 L N 0.658 121.666 121.223 -0.358 0.000 2.056 38 L HA -0.061 1.326 4.340 -4.922 0.000 0.207 38 L C 3.178 180.032 176.870 -0.026 0.000 1.078 38 L CA 1.175 55.880 54.840 -0.225 0.000 0.749 38 L CB -0.164 41.722 42.059 -0.289 0.000 0.901 38 L HN 0.171 nan 8.230 nan 0.000 0.433 39 S N -0.839 114.798 115.700 -0.105 0.000 2.383 39 S HA -0.230 1.287 4.470 -4.922 0.000 0.227 39 S C 1.842 176.409 174.600 -0.056 0.000 1.026 39 S CA 1.200 59.390 58.200 -0.017 0.000 0.981 39 S CB -0.163 63.044 63.200 0.012 0.000 0.818 39 S HN 0.413 nan 8.310 nan 0.000 0.472 40 E N 1.124 121.128 120.200 -0.326 0.000 2.153 40 E HA -0.093 1.304 4.350 -4.922 0.000 0.194 40 E C 1.907 178.500 176.600 -0.011 0.000 0.988 40 E CA 0.882 57.137 56.400 -0.242 0.000 0.811 40 E CB -0.163 29.289 29.700 -0.414 0.000 0.746 40 E HN 0.503 nan 8.360 nan 0.000 0.466 41 A N -0.130 122.701 122.820 0.019 0.000 2.168 41 A HA 0.129 1.496 4.320 -4.922 0.000 0.215 41 A C 1.664 179.297 177.584 0.082 0.000 1.152 41 A CA 1.113 53.224 52.037 0.123 0.000 0.716 41 A CB -0.306 18.853 19.000 0.264 0.000 0.794 41 A HN 0.461 nan 8.150 nan 0.000 0.465 42 G N -2.526 106.316 108.800 0.070 0.000 2.138 42 G HA2 -0.174 0.833 3.960 -4.922 0.000 0.193 42 G HA3 -0.174 0.833 3.960 -4.922 0.000 0.193 42 G C -0.154 174.660 174.900 -0.144 0.000 0.998 42 G CA -0.166 44.905 45.100 -0.048 0.000 0.668 42 G HN 0.263 nan 8.290 nan 0.000 0.516 43 F N 0.838 120.779 119.950 -0.016 0.000 2.385 43 F HA 0.400 1.974 4.527 -4.921 0.000 0.336 43 F C 1.018 176.837 175.800 0.032 0.000 1.100 43 F CA -0.770 57.227 58.000 -0.005 0.000 1.116 43 F CB 1.077 40.054 39.000 -0.038 0.000 1.166 43 F HN 0.075 nan 8.300 nan 0.000 0.511 44 N N 1.837 120.680 118.700 0.238 0.000 2.549 44 N HA 0.059 1.846 4.740 -4.922 0.000 0.267 44 N C -1.090 174.635 175.510 0.358 0.000 1.182 44 N CA -0.134 53.074 53.050 0.264 0.000 1.019 44 N CB 0.109 38.719 38.487 0.205 0.000 1.380 44 N HN 0.551 nan 8.380 nan 0.000 0.505 45 T N 1.696 116.369 114.554 0.199 0.000 2.767 45 T HA 0.477 1.874 4.350 -4.922 0.000 0.284 45 T C -0.155 174.410 174.700 -0.225 0.000 0.973 45 T CA -0.637 61.462 62.100 -0.001 0.000 0.996 45 T CB 1.622 70.448 68.868 -0.069 0.000 0.927 45 T HN 0.422 nan 8.240 nan 0.000 0.456 46 A N 1.809 124.313 122.820 -0.527 0.000 2.303 46 A HA 0.595 1.962 4.320 -4.922 0.000 0.320 46 A C 0.029 177.309 177.584 -0.506 0.000 1.192 46 A CA -0.726 50.848 52.037 -0.771 0.000 0.821 46 A CB 0.544 18.588 19.000 -1.594 0.000 1.188 46 A HN 0.969 nan 8.150 nan 0.000 0.492 47 C N 3.857 122.892 119.300 -0.441 0.000 2.255 47 C HA 0.643 2.150 4.460 -4.922 0.000 0.326 47 C C -0.262 174.621 174.990 -0.178 0.000 1.258 47 C CA -0.237 58.573 59.018 -0.346 0.000 1.676 47 C CB -0.649 26.795 27.740 -0.493 0.000 2.314 47 C HN 0.647 nan 8.230 nan 0.000 0.509 48 V N 6.387 126.177 119.914 -0.207 0.000 2.347 48 V HA 0.597 1.764 4.120 -4.922 0.000 0.280 48 V C 0.388 176.444 176.094 -0.064 0.000 1.021 48 V CA 0.008 62.200 62.300 -0.179 0.000 0.847 48 V CB 1.321 32.943 31.823 -0.336 0.000 0.990 48 V HN 0.942 nan 8.190 nan 0.000 0.444 49 T N 3.755 118.335 114.554 0.043 0.000 2.971 49 T HA 0.348 1.745 4.350 -4.922 0.000 0.304 49 T C 0.766 175.531 174.700 0.108 0.000 1.038 49 T CA -0.569 61.562 62.100 0.051 0.000 1.007 49 T CB 1.574 70.479 68.868 0.062 0.000 1.055 49 T HN 0.835 nan 8.240 nan 0.000 0.451 50 K N 3.998 124.433 120.400 0.058 0.000 2.228 50 K HA 0.214 1.581 4.320 -4.922 0.000 0.202 50 K C 0.410 177.089 176.600 0.131 0.000 1.051 50 K CA 0.568 56.916 56.287 0.102 0.000 0.960 50 K CB -0.018 32.546 32.500 0.107 0.000 0.743 50 K HN 0.444 nan 8.250 nan 0.000 0.458 51 L N 0.629 121.926 121.223 0.123 0.000 2.332 51 L HA 0.371 1.758 4.340 -4.922 0.000 0.269 51 L C -0.195 176.773 176.870 0.165 0.000 1.016 51 L CA -1.526 53.410 54.840 0.160 0.000 0.809 51 L CB 0.844 42.980 42.059 0.129 0.000 1.280 51 L HN -0.074 nan 8.230 nan 0.000 0.447 52 F N 2.559 122.536 119.950 0.044 0.000 2.529 52 F HA 0.189 1.763 4.527 -4.922 0.000 0.365 52 F C -1.491 174.239 175.800 -0.117 0.000 1.102 52 F CA -1.406 56.573 58.000 -0.035 0.000 1.271 52 F CB 0.839 39.802 39.000 -0.061 0.000 1.120 52 F HN 0.304 nan 8.300 nan 0.000 0.579 53 P HA -0.218 nan 4.420 nan 0.000 0.218 53 P C 1.520 178.521 177.300 -0.498 0.000 1.152 53 P CA 2.339 65.066 63.100 -0.622 0.000 0.857 53 P CB -0.025 31.170 31.700 -0.842 0.000 0.787 54 T N -0.677 113.530 114.554 -0.578 0.000 2.746 54 T HA -0.112 1.285 4.350 -4.922 0.000 0.267 54 T C 1.663 176.308 174.700 -0.093 0.000 1.039 54 T CA 1.058 62.947 62.100 -0.352 0.000 1.142 54 T CB -0.414 68.326 68.868 -0.214 0.000 0.866 54 T HN 0.125 nan 8.240 nan 0.000 0.444 55 R N 1.787 122.315 120.500 0.047 0.000 2.189 55 R HA 0.121 1.508 4.340 -4.922 0.000 0.223 55 R C 1.189 177.533 176.300 0.073 0.000 1.092 55 R CA 0.170 56.326 56.100 0.093 0.000 0.989 55 R CB -0.866 29.523 30.300 0.148 0.000 0.876 55 R HN 0.283 nan 8.270 nan 0.000 0.457 56 S N 1.272 116.987 115.700 0.025 0.000 2.558 56 S HA -0.089 1.428 4.470 -4.922 0.000 0.287 56 S C 1.132 175.786 174.600 0.089 0.000 1.321 56 S CA -0.114 58.112 58.200 0.045 0.000 1.048 56 S CB 0.533 63.733 63.200 -0.001 0.000 0.844 56 S HN 0.378 nan 8.310 nan 0.000 0.512 57 H N 2.706 121.778 119.070 0.002 0.000 2.426 57 H HA -0.126 1.477 4.556 -4.921 0.000 0.298 57 H C 2.390 177.725 175.328 0.011 0.000 1.107 57 H CA 2.265 58.313 56.048 -0.000 0.000 1.298 57 H CB -0.608 29.140 29.762 -0.024 0.000 1.377 57 H HN 0.788 nan 8.280 nan 0.000 0.519 58 T N -2.546 112.018 114.554 0.017 0.000 2.918 58 T HA -0.156 1.241 4.350 -4.922 0.000 0.271 58 T C 2.181 176.831 174.700 -0.082 0.000 1.104 58 T CA 1.117 63.192 62.100 -0.041 0.000 1.114 58 T CB -1.109 67.775 68.868 0.027 0.000 0.855 58 T HN 0.189 nan 8.240 nan 0.000 0.518 59 V N 1.153 121.029 119.914 -0.063 0.000 2.594 59 V HA 0.094 1.261 4.120 -4.922 0.000 0.253 59 V C 2.828 178.916 176.094 -0.010 0.000 1.069 59 V CA 1.613 63.921 62.300 0.014 0.000 1.082 59 V CB -1.148 30.713 31.823 0.064 0.000 0.680 59 V HN 0.733 nan 8.190 nan 0.000 0.469 60 A N -0.275 122.420 122.820 -0.209 0.000 2.167 60 A HA 0.466 1.833 4.320 -4.922 0.000 0.214 60 A C 1.381 178.851 177.584 -0.191 0.000 1.151 60 A CA 0.703 52.593 52.037 -0.246 0.000 0.735 60 A CB -0.520 18.196 19.000 -0.473 0.000 0.802 60 A HN 0.746 nan 8.150 nan 0.000 0.467 61 A N -0.146 122.575 122.820 -0.165 0.000 2.524 61 A HA 0.353 1.720 4.320 -4.922 0.000 0.250 61 A C 0.808 178.406 177.584 0.024 0.000 1.078 61 A CA 0.152 52.161 52.037 -0.045 0.000 0.761 61 A CB 0.117 19.111 19.000 -0.011 0.000 1.012 61 A HN 0.602 nan 8.150 nan 0.000 0.500 62 Q N 2.426 122.263 119.800 0.062 0.000 2.481 62 Q HA 0.079 1.466 4.340 -4.922 0.000 0.219 62 Q C 2.147 178.227 176.000 0.133 0.000 0.920 62 Q CA 0.646 56.500 55.803 0.085 0.000 0.915 62 Q CB 0.101 28.885 28.738 0.077 0.000 1.057 62 Q HN 0.900 nan 8.270 nan 0.000 0.581 63 G N 0.845 109.761 108.800 0.193 0.000 2.666 63 G HA2 0.127 1.134 3.960 -4.922 0.000 0.215 63 G HA3 0.127 1.134 3.960 -4.922 0.000 0.215 63 G C 0.579 175.506 174.900 0.046 0.000 1.294 63 G CA 0.980 46.251 45.100 0.285 0.000 0.811 63 G HN 0.505 nan 8.290 nan 0.000 0.594 64 G N -1.862 106.861 108.800 -0.130 0.000 2.323 64 G HA2 0.379 1.386 3.960 -4.922 0.000 0.291 64 G HA3 0.379 1.386 3.960 -4.922 0.000 0.291 64 G C -1.985 172.833 174.900 -0.137 0.000 1.278 64 G CA -0.212 44.812 45.100 -0.127 0.000 0.860 64 G HN 0.594 nan 8.290 nan 0.000 0.504 65 I N 1.528 122.058 120.570 -0.068 0.000 2.512 65 I HA 0.373 1.590 4.170 -4.922 0.000 0.287 65 I C -1.217 174.855 176.117 -0.074 0.000 1.069 65 I CA -0.861 60.429 61.300 -0.017 0.000 1.056 65 I CB 1.588 39.658 38.000 0.117 0.000 1.229 65 I HN 0.439 nan 8.210 nan 0.000 0.429 66 N N 6.361 125.002 118.700 -0.098 0.000 2.514 66 N HA 0.658 2.445 4.740 -4.922 0.000 0.277 66 N C -0.509 174.878 175.510 -0.205 0.000 1.126 66 N CA -0.148 52.795 53.050 -0.179 0.000 0.978 66 N CB 1.821 40.207 38.487 -0.168 0.000 1.106 66 N HN 0.647 nan 8.380 nan 0.000 0.461 67 A N 0.524 123.182 122.820 -0.270 0.000 2.512 67 A HA 0.600 1.967 4.320 -4.922 0.000 0.294 67 A C -0.604 176.856 177.584 -0.207 0.000 1.054 67 A CA -0.811 51.091 52.037 -0.225 0.000 0.756 67 A CB 0.614 19.519 19.000 -0.159 0.000 1.293 67 A HN 0.584 nan 8.150 nan 0.000 0.395 68 A N 2.678 125.403 122.820 -0.159 0.000 3.026 68 A HA 0.470 1.837 4.320 -4.922 0.000 0.272 68 A C 0.738 178.283 177.584 -0.064 0.000 1.782 68 A CA -0.002 51.988 52.037 -0.079 0.000 1.451 68 A CB -0.994 18.010 19.000 0.007 0.000 1.081 68 A HN 0.903 nan 8.150 nan 0.000 0.611 69 L N 0.958 122.125 121.223 -0.093 0.000 2.446 69 L HA 0.150 1.537 4.340 -4.922 0.000 0.219 69 L C 1.726 178.554 176.870 -0.070 0.000 1.116 69 L CA 0.704 55.489 54.840 -0.091 0.000 0.844 69 L CB -0.060 41.923 42.059 -0.128 0.000 0.970 69 L HN 0.812 nan 8.230 nan 0.000 0.457 70 G N 0.824 109.591 108.800 -0.056 0.000 2.298 70 G HA2 -0.284 0.723 3.960 -4.922 0.000 0.287 70 G HA3 -0.284 0.723 3.960 -4.922 0.000 0.287 70 G C 0.406 175.284 174.900 -0.037 0.000 1.075 70 G CA 0.480 45.559 45.100 -0.034 0.000 0.960 70 G HN 0.347 nan 8.290 nan 0.000 0.502 71 N N -0.500 118.170 118.700 -0.051 0.000 2.409 71 N HA 0.134 1.921 4.740 -4.922 0.000 0.174 71 N C 2.308 177.792 175.510 -0.043 0.000 1.037 71 N CA 1.102 54.122 53.050 -0.050 0.000 0.898 71 N CB -0.083 38.363 38.487 -0.068 0.000 1.010 71 N HN 0.458 nan 8.380 nan 0.000 0.445 72 M N 0.133 119.701 119.600 -0.053 0.000 2.557 72 M HA 0.150 1.677 4.480 -4.922 0.000 0.262 72 M C 0.402 176.662 176.300 -0.067 0.000 1.168 72 M CA 0.897 56.149 55.300 -0.080 0.000 1.194 72 M CB -0.330 32.190 32.600 -0.133 0.000 1.311 72 M HN 0.089 nan 8.290 nan 0.000 0.489 73 E N 1.348 121.536 120.200 -0.021 0.000 2.429 73 E HA 0.261 1.658 4.350 -4.922 0.000 0.276 73 E C -1.199 175.430 176.600 0.049 0.000 0.953 73 E CA -0.590 55.818 56.400 0.014 0.000 0.787 73 E CB 1.288 31.007 29.700 0.030 0.000 1.307 73 E HN 0.299 nan 8.360 nan 0.000 0.458 74 E N 1.765 122.002 120.200 0.062 0.000 2.417 74 E HA 0.217 1.614 4.350 -4.922 0.000 0.261 74 E C -0.807 175.862 176.600 0.115 0.000 1.000 74 E CA 0.152 56.586 56.400 0.057 0.000 0.919 74 E CB 0.426 30.155 29.700 0.048 0.000 0.955 74 E HN 0.390 nan 8.360 nan 0.000 0.455 75 D N 1.937 122.326 120.400 -0.018 0.000 2.732 75 D HA 0.271 1.958 4.640 -4.922 0.000 0.229 75 D C -1.447 174.587 176.300 -0.444 0.000 1.152 75 D CA -0.738 53.208 54.000 -0.090 0.000 0.854 75 D CB 1.660 42.477 40.800 0.029 0.000 1.590 75 D HN 0.396 nan 8.370 nan 0.000 0.468 76 N N 2.283 120.420 118.700 -0.937 0.000 2.342 76 N HA 0.137 1.924 4.740 -4.922 0.000 0.293 76 N C 1.173 176.341 175.510 -0.570 0.000 1.026 76 N CA -0.733 51.729 53.050 -0.980 0.000 0.857 76 N CB 1.046 38.481 38.487 -1.753 0.000 1.256 76 N HN 0.612 nan 8.380 nan 0.000 0.484 77 W N 4.237 125.364 121.300 -0.289 0.000 2.421 77 W HA -0.047 1.659 4.660 -4.923 0.000 0.270 77 W C 0.698 177.213 176.519 -0.008 0.000 1.233 77 W CA 0.081 57.374 57.345 -0.087 0.000 1.226 77 W CB -0.381 29.038 29.460 -0.069 0.000 1.121 77 W HN 0.478 nan 8.180 nan 0.000 0.579 78 R N -0.211 119.788 120.500 -0.834 0.000 2.115 78 R HA -0.129 1.258 4.340 -4.922 0.000 0.230 78 R C 2.095 178.365 176.300 -0.050 0.000 1.111 78 R CA 2.097 57.849 56.100 -0.579 0.000 0.976 78 R CB -0.721 29.152 30.300 -0.712 0.000 0.870 78 R HN 0.097 nan 8.270 nan 0.000 0.445 79 W N 0.225 121.266 121.300 -0.431 0.000 2.363 79 W HA -0.124 1.583 4.660 -4.923 0.000 0.296 79 W C 2.063 178.596 176.519 0.022 0.000 1.212 79 W CA 0.693 57.774 57.345 -0.440 0.000 1.260 79 W CB -1.214 27.983 29.460 -0.438 0.000 1.131 79 W HN 0.343 nan 8.180 nan 0.000 0.530 80 H N -1.066 118.135 119.070 0.217 0.000 2.423 80 H HA -0.188 1.416 4.556 -4.920 0.000 0.297 80 H C 2.173 177.639 175.328 0.231 0.000 1.075 80 H CA 1.563 57.733 56.048 0.204 0.000 1.342 80 H CB -0.406 29.466 29.762 0.183 0.000 1.395 80 H HN 0.075 nan 8.280 nan 0.000 0.530 81 F N 0.976 120.986 119.950 0.101 0.000 2.075 81 F HA -0.282 1.292 4.527 -4.920 0.000 0.297 81 F C 2.418 178.270 175.800 0.085 0.000 1.113 81 F CA 1.849 59.887 58.000 0.064 0.000 1.218 81 F CB -1.075 38.015 39.000 0.149 0.000 0.984 81 F HN 0.157 nan 8.300 nan 0.000 0.472 82 Y N 1.402 121.695 120.300 -0.011 0.000 2.165 82 Y HA -0.243 1.356 4.550 -4.919 0.000 0.286 82 Y C 2.250 178.052 175.900 -0.162 0.000 1.155 82 Y CA 2.248 60.300 58.100 -0.080 0.000 1.164 82 Y CB -0.827 37.866 38.460 0.388 0.000 0.978 82 Y HN 0.169 nan 8.280 nan 0.000 0.513 83 D N -0.912 119.462 120.400 -0.044 0.000 2.219 83 D HA -0.125 1.562 4.640 -4.922 0.000 0.205 83 D C 1.847 178.014 176.300 -0.222 0.000 0.970 83 D CA 1.740 55.691 54.000 -0.082 0.000 0.851 83 D CB 0.080 40.963 40.800 0.138 0.000 0.943 83 D HN 0.440 nan 8.370 nan 0.000 0.488 84 T N 0.325 114.692 114.554 -0.311 0.000 2.851 84 T HA -0.079 1.318 4.350 -4.922 0.000 0.262 84 T C 2.073 176.510 174.700 -0.438 0.000 1.043 84 T CA 0.348 62.252 62.100 -0.328 0.000 1.140 84 T CB -0.191 68.471 68.868 -0.343 0.000 0.872 84 T HN -0.023 nan 8.240 nan 0.000 0.446 85 V N 1.400 120.927 119.914 -0.645 0.000 2.453 85 V HA -0.028 1.139 4.120 -4.922 0.000 0.247 85 V C 2.452 177.876 176.094 -1.116 0.000 1.048 85 V CA 1.686 63.512 62.300 -0.790 0.000 1.049 85 V CB -0.400 30.909 31.823 -0.856 0.000 0.672 85 V HN 0.363 nan 8.190 nan 0.000 0.457 86 K N -0.168 119.567 120.400 -1.108 0.000 2.097 86 K HA -0.097 1.270 4.320 -4.922 0.000 0.206 86 K C 1.978 178.187 176.600 -0.651 0.000 1.049 86 K CA 1.573 57.147 56.287 -1.188 0.000 0.933 86 K CB -0.605 31.358 32.500 -0.895 0.000 0.717 86 K HN 0.572 nan 8.250 nan 0.000 0.442 87 G N 0.255 108.831 108.800 -0.374 0.000 2.484 87 G HA2 -0.190 0.817 3.960 -4.922 0.000 0.218 87 G HA3 -0.190 0.817 3.960 -4.922 0.000 0.218 87 G C 1.307 176.098 174.900 -0.182 0.000 1.130 87 G CA 0.851 45.857 45.100 -0.156 0.000 0.784 87 G HN 0.466 nan 8.290 nan 0.000 0.543 88 S N -0.096 115.419 115.700 -0.309 0.000 2.603 88 S HA 0.065 1.582 4.470 -4.922 0.000 0.220 88 S C 0.923 175.415 174.600 -0.179 0.000 0.967 88 S CA 0.750 58.815 58.200 -0.226 0.000 0.920 88 S CB -0.027 63.022 63.200 -0.252 0.000 0.773 88 S HN 0.229 nan 8.310 nan 0.000 0.529 89 D N 0.909 121.201 120.400 -0.179 0.000 2.737 89 D HA -0.212 1.475 4.640 -4.922 0.000 0.233 89 D C -0.311 176.144 176.300 0.258 0.000 1.155 89 D CA 1.068 55.125 54.000 0.096 0.000 0.667 89 D CB -1.976 38.915 40.800 0.151 0.000 1.060 89 D HN 0.702 nan 8.370 nan 0.000 0.427 90 W N -2.589 118.668 121.300 -0.073 0.000 4.233 90 W HA -0.331 1.371 4.660 -4.930 0.000 0.328 90 W C 1.284 177.775 176.519 -0.046 0.000 1.212 90 W CA 0.592 57.893 57.345 -0.074 0.000 0.752 90 W CB -1.979 27.417 29.460 -0.107 0.000 2.277 90 W HN 0.313 nan 8.180 nan 0.000 1.465 91 L N 0.176 121.427 121.223 0.048 0.000 2.554 91 L HA 0.357 1.744 4.340 -4.922 0.000 0.225 91 L C 1.742 178.638 176.870 0.043 0.000 1.104 91 L CA 1.361 56.202 54.840 0.001 0.000 0.866 91 L CB -0.083 41.919 42.059 -0.095 0.000 1.047 91 L HN -0.036 nan 8.230 nan 0.000 0.468 92 G N 0.004 108.788 108.800 -0.027 0.000 2.361 92 G HA2 0.149 1.156 3.960 -4.922 0.000 0.260 92 G HA3 0.149 1.156 3.960 -4.922 0.000 0.260 92 G C -0.893 174.039 174.900 0.053 0.000 1.261 92 G CA -0.393 44.696 45.100 -0.019 0.000 0.897 92 G HN 0.250 nan 8.290 nan 0.000 0.499 93 D N 2.176 122.653 120.400 0.129 0.000 2.338 93 D HA 0.147 1.834 4.640 -4.922 0.000 0.255 93 D C 1.448 177.853 176.300 0.175 0.000 1.237 93 D CA 0.081 54.186 54.000 0.176 0.000 0.883 93 D CB 1.442 42.370 40.800 0.214 0.000 1.087 93 D HN 0.486 nan 8.370 nan 0.000 0.485 94 Q N 1.627 121.551 119.800 0.206 0.000 2.369 94 Q HA -0.130 1.257 4.340 -4.922 0.000 0.206 94 Q C 1.261 177.470 176.000 0.349 0.000 0.963 94 Q CA 0.727 56.723 55.803 0.321 0.000 0.894 94 Q CB 0.159 29.133 28.738 0.393 0.000 0.965 94 Q HN 0.587 nan 8.270 nan 0.000 0.475 95 D N 0.527 121.061 120.400 0.224 0.000 2.178 95 D HA -0.140 1.547 4.640 -4.922 0.000 0.202 95 D C 1.569 177.959 176.300 0.150 0.000 0.974 95 D CA 1.359 55.422 54.000 0.105 0.000 0.841 95 D CB -0.060 40.770 40.800 0.050 0.000 0.953 95 D HN 0.180 nan 8.370 nan 0.000 0.478 96 A N 0.587 123.582 122.820 0.292 0.000 1.935 96 A HA 0.147 1.514 4.320 -4.922 0.000 0.214 96 A C 2.503 180.380 177.584 0.487 0.000 1.178 96 A CA 0.459 52.773 52.037 0.463 0.000 0.640 96 A CB -0.489 18.733 19.000 0.371 0.000 0.825 96 A HN 0.226 nan 8.150 nan 0.000 0.447 97 I N -1.111 119.679 120.570 0.367 0.000 2.252 97 I HA -0.249 0.968 4.170 -4.922 0.000 0.245 97 I C 2.432 178.854 176.117 0.508 0.000 1.102 97 I CA 1.727 63.234 61.300 0.346 0.000 1.385 97 I CB -0.668 37.451 38.000 0.198 0.000 1.064 97 I HN 0.580 nan 8.210 nan 0.000 0.414 98 H N 0.319 119.654 119.070 0.442 0.000 2.289 98 H HA -0.339 1.263 4.556 -4.923 0.000 0.294 98 H C 2.387 177.802 175.328 0.146 0.000 1.095 98 H CA 2.400 58.605 56.048 0.260 0.000 1.256 98 H CB -0.258 29.549 29.762 0.076 0.000 1.359 98 H HN 0.364 nan 8.280 nan 0.000 0.487 99 Y N 0.099 120.536 120.300 0.229 0.000 2.181 99 Y HA -0.271 1.326 4.550 -4.922 0.000 0.288 99 Y C 2.807 178.683 175.900 -0.042 0.000 1.146 99 Y CA 1.824 59.942 58.100 0.031 0.000 1.164 99 Y CB -0.126 38.327 38.460 -0.011 0.000 0.982 99 Y HN 0.304 nan 8.280 nan 0.000 0.515 100 M N -0.397 119.229 119.600 0.043 0.000 2.123 100 M HA -0.165 1.362 4.480 -4.922 0.000 0.263 100 M C 2.165 178.448 176.300 -0.028 0.000 1.069 100 M CA 2.267 57.537 55.300 -0.050 0.000 1.133 100 M CB -0.307 32.443 32.600 0.251 0.000 1.356 100 M HN 0.443 nan 8.290 nan 0.000 0.415 101 T N -2.499 112.116 114.554 0.102 0.000 2.995 101 T HA -0.134 1.263 4.350 -4.922 0.000 0.269 101 T C 1.551 176.299 174.700 0.081 0.000 1.091 101 T CA 1.467 63.712 62.100 0.241 0.000 1.128 101 T CB -0.376 68.707 68.868 0.357 0.000 0.891 101 T HN 0.573 nan 8.240 nan 0.000 0.492 102 E N 0.513 120.507 120.200 -0.343 0.000 2.122 102 E HA -0.084 1.313 4.350 -4.922 0.000 0.190 102 E C 2.283 178.485 176.600 -0.663 0.000 0.977 102 E CA 0.466 56.242 56.400 -1.040 0.000 0.820 102 E CB -0.020 28.869 29.700 -1.352 0.000 0.770 102 E HN 0.438 nan 8.360 nan 0.000 0.462 103 Q N 0.149 119.638 119.800 -0.519 0.000 2.435 103 Q HA 0.078 1.465 4.340 -4.922 0.000 0.207 103 Q C 1.535 177.370 176.000 -0.276 0.000 0.956 103 Q CA 0.923 56.461 55.803 -0.442 0.000 0.917 103 Q CB -0.034 28.334 28.738 -0.617 0.000 0.997 103 Q HN 0.342 nan 8.270 nan 0.000 0.497 104 A N 1.260 123.965 122.820 -0.192 0.000 1.884 104 A HA -0.175 1.192 4.320 -4.922 0.000 0.219 104 A C -0.445 177.075 177.584 -0.107 0.000 1.197 104 A CA 1.757 53.743 52.037 -0.084 0.000 0.637 104 A CB -1.704 17.317 19.000 0.034 0.000 0.827 104 A HN 0.414 nan 8.150 nan 0.000 0.450 105 P HA -0.053 nan 4.420 nan 0.000 0.216 105 P C 1.739 178.961 177.300 -0.131 0.000 1.153 105 P CA 1.840 64.865 63.100 -0.125 0.000 0.848 105 P CB -0.157 31.475 31.700 -0.113 0.000 0.787 106 A N -0.617 122.112 122.820 -0.152 0.000 1.902 106 A HA -0.173 1.194 4.320 -4.922 0.000 0.217 106 A C 2.388 179.903 177.584 -0.115 0.000 1.181 106 A CA 2.208 54.161 52.037 -0.140 0.000 0.623 106 A CB -1.573 17.328 19.000 -0.166 0.000 0.818 106 A HN 0.114 nan 8.150 nan 0.000 0.443 107 S N -0.775 114.860 115.700 -0.108 0.000 2.406 107 S HA -0.070 1.447 4.470 -4.922 0.000 0.228 107 S C 1.864 176.456 174.600 -0.012 0.000 1.020 107 S CA 1.227 59.395 58.200 -0.054 0.000 0.965 107 S CB -0.248 62.923 63.200 -0.048 0.000 0.798 107 S HN 0.335 nan 8.310 nan 0.000 0.488 108 V N 1.156 121.050 119.914 -0.033 0.000 2.323 108 V HA -0.082 1.085 4.120 -4.922 0.000 0.244 108 V C 2.250 178.320 176.094 -0.040 0.000 1.041 108 V CA 1.236 63.529 62.300 -0.011 0.000 1.025 108 V CB -0.590 31.168 31.823 -0.108 0.000 0.656 108 V HN 0.320 nan 8.190 nan 0.000 0.451 109 V N -0.079 119.775 119.914 -0.100 0.000 2.568 109 V HA -0.288 0.879 4.120 -4.922 0.000 0.253 109 V C 2.400 178.420 176.094 -0.123 0.000 1.072 109 V CA 2.127 64.364 62.300 -0.105 0.000 1.084 109 V CB -0.558 31.200 31.823 -0.108 0.000 0.676 109 V HN 0.632 nan 8.190 nan 0.000 0.469 110 E N -0.029 120.073 120.200 -0.163 0.000 2.077 110 E HA -0.197 1.200 4.350 -4.922 0.000 0.193 110 E C 2.201 178.458 176.600 -0.571 0.000 0.989 110 E CA 1.258 57.438 56.400 -0.368 0.000 0.800 110 E CB -0.083 29.456 29.700 -0.269 0.000 0.746 110 E HN 0.568 nan 8.360 nan 0.000 0.452 111 L N 0.792 121.938 121.223 -0.130 0.000 2.056 111 L HA -0.137 1.249 4.340 -4.922 0.000 0.207 111 L C 2.716 179.701 176.870 0.191 0.000 1.078 111 L CA 0.883 55.815 54.840 0.154 0.000 0.749 111 L CB -0.410 41.844 42.059 0.325 0.000 0.901 111 L HN 0.151 nan 8.230 nan 0.000 0.433 112 E N 0.738 121.090 120.200 0.254 0.000 2.153 112 E HA -0.208 1.189 4.350 -4.922 0.000 0.194 112 E C 1.667 178.330 176.600 0.106 0.000 0.988 112 E CA 1.196 57.765 56.400 0.280 0.000 0.811 112 E CB 0.015 29.843 29.700 0.213 0.000 0.746 112 E HN 0.473 nan 8.360 nan 0.000 0.466 113 N N -0.465 118.223 118.700 -0.020 0.000 2.300 113 N HA -0.079 1.708 4.740 -4.922 0.000 0.179 113 N C 1.571 177.090 175.510 0.015 0.000 1.016 113 N CA 0.677 53.697 53.050 -0.050 0.000 0.876 113 N CB -0.502 37.907 38.487 -0.130 0.000 0.979 113 N HN 0.355 nan 8.380 nan 0.000 0.432 114 Y N -0.413 119.931 120.300 0.073 0.000 2.333 114 Y HA -0.022 1.574 4.550 -4.922 0.000 0.290 114 Y C 1.684 177.593 175.900 0.014 0.000 1.144 114 Y CA 0.530 58.653 58.100 0.038 0.000 1.228 114 Y CB 0.169 38.648 38.460 0.031 0.000 0.985 114 Y HN 0.202 nan 8.280 nan 0.000 0.542 115 G N -0.205 108.696 108.800 0.168 0.000 2.234 115 G HA2 -0.229 0.778 3.960 -4.922 0.000 0.153 115 G HA3 -0.229 0.778 3.960 -4.922 0.000 0.153 115 G C 0.091 175.024 174.900 0.055 0.000 1.013 115 G CA -0.327 44.829 45.100 0.094 0.000 0.712 115 G HN 0.171 nan 8.290 nan 0.000 0.491 116 M N 3.006 122.634 119.600 0.048 0.000 2.427 116 M HA 0.286 1.813 4.480 -4.922 0.000 0.345 116 M C -1.667 174.534 176.300 -0.165 0.000 1.653 116 M CA -1.030 54.200 55.300 -0.118 0.000 1.138 116 M CB 0.454 32.901 32.600 -0.255 0.000 1.995 116 M HN -0.014 nan 8.290 nan 0.000 0.459 117 P HA 0.055 nan 4.420 nan 0.000 0.241 117 P C -1.059 176.206 177.300 -0.059 0.000 1.760 117 P CA 0.168 63.239 63.100 -0.049 0.000 1.081 117 P CB -0.802 30.881 31.700 -0.028 0.000 1.975 118 F N 0.678 120.661 119.950 0.054 0.000 2.506 118 F HA 0.044 1.618 4.527 -4.922 0.000 0.351 118 F C 1.640 177.479 175.800 0.065 0.000 1.136 118 F CA 0.605 58.644 58.000 0.065 0.000 1.298 118 F CB 0.264 39.301 39.000 0.061 0.000 1.145 118 F HN 0.095 nan 8.300 nan 0.000 0.593 119 S N 3.618 119.502 115.700 0.307 0.000 2.579 119 S HA 0.373 1.890 4.470 -4.922 0.000 0.275 119 S C 0.288 175.011 174.600 0.205 0.000 1.345 119 S CA -0.720 57.588 58.200 0.180 0.000 1.031 119 S CB 0.545 63.811 63.200 0.110 0.000 0.892 119 S HN 0.367 nan 8.310 nan 0.000 0.529 120 R N 0.559 121.123 120.500 0.107 0.000 2.939 120 R HA 0.696 2.083 4.340 -4.922 0.000 0.254 120 R C 0.011 176.370 176.300 0.099 0.000 1.123 120 R CA -0.670 55.498 56.100 0.113 0.000 1.020 120 R CB 0.983 31.327 30.300 0.073 0.000 1.206 120 R HN 0.805 nan 8.270 nan 0.000 0.491 121 T N -3.039 111.576 114.554 0.103 0.000 2.693 121 T HA 0.217 1.614 4.350 -4.922 0.000 0.278 121 T C 1.047 175.779 174.700 0.052 0.000 0.994 121 T CA -0.760 61.398 62.100 0.096 0.000 1.033 121 T CB 1.223 70.176 68.868 0.140 0.000 1.342 121 T HN 0.453 nan 8.240 nan 0.000 0.538 122 E N 0.656 120.883 120.200 0.045 0.000 2.086 122 E HA -0.222 1.175 4.350 -4.922 0.000 0.200 122 E C 1.260 177.873 176.600 0.023 0.000 1.012 122 E CA 2.190 58.606 56.400 0.027 0.000 0.812 122 E CB -0.508 29.206 29.700 0.024 0.000 0.743 122 E HN 0.647 nan 8.360 nan 0.000 0.453 123 D N -1.791 118.624 120.400 0.024 0.000 2.269 123 D HA 0.074 1.761 4.640 -4.922 0.000 0.208 123 D C 1.188 177.499 176.300 0.018 0.000 0.963 123 D CA 1.233 55.243 54.000 0.016 0.000 0.864 123 D CB 0.116 40.923 40.800 0.011 0.000 0.936 123 D HN 0.379 nan 8.370 nan 0.000 0.505 124 G N 0.150 108.966 108.800 0.027 0.000 2.141 124 G HA2 -0.282 0.725 3.960 -4.922 0.000 0.231 124 G HA3 -0.282 0.725 3.960 -4.922 0.000 0.231 124 G C 0.335 175.252 174.900 0.029 0.000 0.984 124 G CA -0.037 45.080 45.100 0.029 0.000 0.660 124 G HN 0.303 nan 8.290 nan 0.000 0.525 125 K N -0.430 119.985 120.400 0.024 0.000 2.098 125 K HA 0.609 1.976 4.320 -4.922 0.000 0.244 125 K C 0.819 177.430 176.600 0.018 0.000 1.014 125 K CA -0.919 55.370 56.287 0.004 0.000 0.917 125 K CB 1.033 33.524 32.500 -0.016 0.000 1.072 125 K HN 0.175 nan 8.250 nan 0.000 0.477 126 I N 2.653 123.195 120.570 -0.046 0.000 2.671 126 I HA -0.113 1.104 4.170 -4.922 0.000 0.285 126 I C 0.087 176.198 176.117 -0.009 0.000 1.148 126 I CA 0.106 61.358 61.300 -0.081 0.000 1.386 126 I CB -0.351 37.415 38.000 -0.390 0.000 1.406 126 I HN 0.427 nan 8.210 nan 0.000 0.540 127 Y N 8.116 128.410 120.300 -0.011 0.000 2.650 127 Y HA 0.045 1.642 4.550 -4.921 0.000 0.331 127 Y C 0.152 176.062 175.900 0.018 0.000 1.165 127 Y CA 0.079 58.190 58.100 0.018 0.000 1.473 127 Y CB 0.224 38.717 38.460 0.056 0.000 1.224 127 Y HN 0.529 nan 8.280 nan 0.000 0.533 128 Q N 4.977 124.451 119.800 -0.544 0.000 2.297 128 Q HA 0.661 2.048 4.340 -4.922 0.000 0.268 128 Q C -1.011 174.573 176.000 -0.693 0.000 1.045 128 Q CA -1.357 54.163 55.803 -0.473 0.000 0.861 128 Q CB 2.167 30.773 28.738 -0.219 0.000 1.344 128 Q HN 0.592 nan 8.270 nan 0.000 0.452 129 R N -0.214 120.098 120.500 -0.314 0.000 2.680 129 R HA 0.569 1.955 4.340 -4.922 0.000 0.269 129 R C -1.714 174.603 176.300 0.028 0.000 1.026 129 R CA -0.418 55.634 56.100 -0.081 0.000 0.889 129 R CB 1.571 31.861 30.300 -0.017 0.000 1.241 129 R HN 0.798 nan 8.270 nan 0.000 0.463 130 A N 2.537 125.325 122.820 -0.054 0.000 2.587 130 A HA 0.358 1.725 4.320 -4.922 0.000 0.233 130 A C -0.747 176.888 177.584 0.085 0.000 1.049 130 A CA 0.817 52.734 52.037 -0.199 0.000 0.754 130 A CB -0.192 18.603 19.000 -0.342 0.000 0.977 130 A HN 0.518 nan 8.150 nan 0.000 0.509 131 F N -0.390 119.475 119.950 -0.142 0.000 2.754 131 F HA 0.556 2.129 4.527 -4.923 0.000 0.320 131 F C 0.966 176.695 175.800 -0.119 0.000 1.156 131 F CA -0.145 57.799 58.000 -0.094 0.000 0.950 131 F CB 1.464 40.426 39.000 -0.062 0.000 1.388 131 F HN 0.750 nan 8.300 nan 0.000 0.485 132 G N 0.961 109.642 108.800 -0.198 0.000 2.369 132 G HA2 0.382 1.389 3.960 -4.922 0.000 0.287 132 G HA3 0.382 1.389 3.960 -4.922 0.000 0.287 132 G C 0.692 175.486 174.900 -0.177 0.000 1.009 132 G CA 0.554 45.519 45.100 -0.225 0.000 1.393 132 G HN 1.619 nan 8.290 nan 0.000 0.432 133 G N 1.576 110.213 108.800 -0.271 0.000 2.171 133 G HA2 -0.224 0.783 3.960 -4.922 0.000 0.238 133 G HA3 -0.224 0.783 3.960 -4.922 0.000 0.238 133 G C 0.126 174.912 174.900 -0.189 0.000 1.039 133 G CA 0.142 44.956 45.100 -0.476 0.000 0.759 133 G HN 0.835 nan 8.290 nan 0.000 0.501 134 Q N 0.191 119.967 119.800 -0.039 0.000 2.316 134 Q HA 0.662 2.049 4.340 -4.922 0.000 0.264 134 Q C 0.127 176.169 176.000 0.070 0.000 0.987 134 Q CA -0.016 55.826 55.803 0.064 0.000 0.852 134 Q CB 1.928 30.716 28.738 0.083 0.000 1.287 134 Q HN 0.638 nan 8.270 nan 0.000 0.448 135 S N 1.831 117.602 115.700 0.119 0.000 2.632 135 S HA 0.713 2.230 4.470 -4.922 0.000 0.289 135 S C -0.572 174.024 174.600 -0.008 0.000 1.115 135 S CA -0.881 57.358 58.200 0.065 0.000 0.889 135 S CB 1.079 64.345 63.200 0.110 0.000 1.116 135 S HN 0.480 nan 8.310 nan 0.000 0.486 136 L N 0.963 122.092 121.223 -0.156 0.000 2.416 136 L HA 0.539 1.926 4.340 -4.922 0.000 0.263 136 L C 0.287 176.607 176.870 -0.917 0.000 1.065 136 L CA -1.252 53.300 54.840 -0.479 0.000 0.798 136 L CB 0.326 42.135 42.059 -0.416 0.000 1.267 136 L HN 0.828 nan 8.230 nan 0.000 0.467 137 K N 1.795 120.930 120.400 -2.108 0.000 3.356 137 K HA -0.259 1.108 4.320 -4.922 0.000 0.270 137 K C -0.614 175.535 176.600 -0.752 0.000 0.901 137 K CA 0.551 55.842 56.287 -1.660 0.000 0.688 137 K CB -1.602 30.409 32.500 -0.815 0.000 1.460 137 K HN 0.533 nan 8.250 nan 0.000 0.458 138 F N -0.859 118.670 119.950 -0.702 0.000 3.027 138 F HA -0.282 1.291 4.527 -4.923 0.000 0.276 138 F C 1.298 176.728 175.800 -0.616 0.000 0.967 138 F CA 1.317 58.956 58.000 -0.603 0.000 0.929 138 F CB -2.051 36.580 39.000 -0.615 0.000 0.873 138 F HN 0.633 nan 8.300 nan 0.000 0.787 139 G N -0.989 107.741 108.800 -0.116 0.000 2.141 139 G HA2 -0.317 0.690 3.960 -4.922 0.000 0.242 139 G HA3 -0.317 0.690 3.960 -4.922 0.000 0.242 139 G C 1.049 175.925 174.900 -0.040 0.000 0.982 139 G CA 0.422 45.557 45.100 0.058 0.000 0.662 139 G HN 0.419 nan 8.290 nan 0.000 0.527 140 K N -0.498 119.821 120.400 -0.135 0.000 2.424 140 K HA 0.194 1.561 4.320 -4.922 0.000 0.198 140 K C 2.156 178.673 176.600 -0.139 0.000 1.190 140 K CA 0.723 56.940 56.287 -0.117 0.000 0.935 140 K CB 0.047 32.477 32.500 -0.118 0.000 1.087 140 K HN 0.404 nan 8.250 nan 0.000 0.524 141 G N 1.382 110.041 108.800 -0.235 0.000 3.155 141 G HA2 0.291 1.298 3.960 -4.922 0.000 0.213 141 G HA3 0.291 1.298 3.960 -4.922 0.000 0.213 141 G C 0.748 175.566 174.900 -0.137 0.000 1.196 141 G CA 0.598 45.557 45.100 -0.235 0.000 0.846 141 G HN 0.426 nan 8.290 nan 0.000 0.516 142 G N -0.230 108.521 108.800 -0.083 0.000 2.498 142 G HA2 -0.205 0.802 3.960 -4.922 0.000 0.245 142 G HA3 -0.205 0.802 3.960 -4.922 0.000 0.245 142 G C -0.085 174.808 174.900 -0.012 0.000 1.204 142 G CA 0.114 45.197 45.100 -0.028 0.000 0.933 142 G HN 0.759 nan 8.290 nan 0.000 0.574 143 Q N 1.028 120.836 119.800 0.013 0.000 2.288 143 Q HA 0.682 2.069 4.340 -4.922 0.000 0.254 143 Q C 0.211 176.213 176.000 0.003 0.000 0.932 143 Q CA 0.747 56.543 55.803 -0.012 0.000 0.902 143 Q CB 1.094 29.824 28.738 -0.013 0.000 1.203 143 Q HN 1.647 nan 8.270 nan 0.000 0.415 144 A N 4.100 126.880 122.820 -0.068 0.000 2.317 144 A HA 0.559 1.926 4.320 -4.922 0.000 0.327 144 A C -1.398 176.094 177.584 -0.155 0.000 1.178 144 A CA -0.623 51.417 52.037 0.005 0.000 0.817 144 A CB 0.507 19.541 19.000 0.056 0.000 1.189 144 A HN 0.914 nan 8.150 nan 0.000 0.489 145 H N 1.327 120.401 119.070 0.007 0.000 2.632 145 H HA 0.420 2.024 4.556 -4.921 0.000 0.258 145 H C 0.695 175.980 175.328 -0.072 0.000 1.278 145 H CA -0.289 55.737 56.048 -0.036 0.000 1.352 145 H CB 0.524 30.250 29.762 -0.060 0.000 1.418 145 H HN 0.708 nan 8.280 nan 0.000 0.513 146 R N 0.044 120.533 120.500 -0.019 0.000 2.566 146 R HA 0.253 1.640 4.340 -4.922 0.000 0.388 146 R C -0.505 175.704 176.300 -0.151 0.000 0.989 146 R CA -0.256 55.789 56.100 -0.091 0.000 1.164 146 R CB -0.354 29.878 30.300 -0.113 0.000 1.459 146 R HN 0.328 nan 8.270 nan 0.000 0.553 147 C N 3.016 122.233 119.300 -0.137 0.000 2.252 147 C HA 0.457 1.964 4.460 -4.922 0.000 0.342 147 C C 0.608 175.509 174.990 -0.148 0.000 1.110 147 C CA -0.709 58.194 59.018 -0.192 0.000 1.581 147 C CB -1.461 26.119 27.740 -0.267 0.000 2.087 147 C HN 0.681 nan 8.230 nan 0.000 0.500 148 C N 5.560 124.782 119.300 -0.130 0.000 2.648 148 C HA 0.485 1.992 4.460 -4.922 0.000 0.415 148 C C 0.886 175.970 174.990 0.156 0.000 1.366 148 C CA -0.553 58.422 59.018 -0.072 0.000 1.756 148 C CB -2.193 25.389 27.740 -0.263 0.000 2.549 148 C HN 0.983 nan 8.230 nan 0.000 0.597 149 C N 1.706 121.188 119.300 0.304 0.000 2.888 149 C HA 0.737 2.243 4.460 -4.922 0.000 0.308 149 C C -0.346 174.873 174.990 0.382 0.000 1.213 149 C CA -0.672 58.545 59.018 0.332 0.000 1.461 149 C CB 0.421 28.305 27.740 0.239 0.000 1.934 149 C HN 0.613 nan 8.230 nan 0.000 0.474 150 V N 3.103 123.132 119.914 0.192 0.000 2.224 150 V HA 0.490 1.657 4.120 -4.922 0.000 0.289 150 V C 1.321 177.471 176.094 0.093 0.000 1.518 150 V CA 0.835 63.187 62.300 0.087 0.000 1.533 150 V CB -0.562 31.221 31.823 -0.067 0.000 1.460 150 V HN 1.882 nan 8.190 nan 0.000 0.515 151 A N 2.786 125.685 122.820 0.132 0.000 1.999 151 A HA -0.235 1.132 4.320 -4.922 0.000 0.261 151 A C 1.292 178.924 177.584 0.080 0.000 1.316 151 A CA 1.181 53.277 52.037 0.099 0.000 0.752 151 A CB -1.449 17.575 19.000 0.039 0.000 1.166 151 A HN 1.205 nan 8.150 nan 0.000 0.311 152 D N -1.648 118.816 120.400 0.107 0.000 2.946 152 D HA -0.215 1.472 4.640 -4.922 0.000 0.202 152 D C 0.576 176.911 176.300 0.058 0.000 1.068 152 D CA 2.317 56.371 54.000 0.090 0.000 1.011 152 D CB -0.749 40.094 40.800 0.071 0.000 1.105 152 D HN 0.900 nan 8.370 nan 0.000 0.425 153 R N -0.818 119.713 120.500 0.052 0.000 2.734 153 R HA 0.223 1.610 4.340 -4.922 0.000 0.395 153 R C 1.579 177.933 176.300 0.089 0.000 1.096 153 R CA 0.654 56.782 56.100 0.046 0.000 1.071 153 R CB 0.425 30.711 30.300 -0.023 0.000 1.348 153 R HN 0.309 nan 8.270 nan 0.000 0.600 154 T N -3.146 111.450 114.554 0.070 0.000 2.770 154 T HA -0.066 1.331 4.350 -4.922 0.000 0.263 154 T C 1.991 176.712 174.700 0.034 0.000 1.039 154 T CA 1.544 63.666 62.100 0.038 0.000 1.142 154 T CB -0.016 68.888 68.868 0.060 0.000 0.868 154 T HN 0.317 nan 8.240 nan 0.000 0.435 155 G N 0.609 109.442 108.800 0.055 0.000 2.432 155 G HA2 -0.241 0.766 3.960 -4.922 0.000 0.219 155 G HA3 -0.241 0.766 3.960 -4.922 0.000 0.219 155 G C 1.587 176.529 174.900 0.070 0.000 1.135 155 G CA 0.917 46.044 45.100 0.045 0.000 0.767 155 G HN 0.733 nan 8.290 nan 0.000 0.550 156 H N 0.935 120.019 119.070 0.023 0.000 2.290 156 H HA -0.064 1.539 4.556 -4.922 0.000 0.298 156 H C 2.583 177.992 175.328 0.135 0.000 1.087 156 H CA 1.814 57.917 56.048 0.092 0.000 1.291 156 H CB -0.253 29.542 29.762 0.056 0.000 1.369 156 H HN 0.301 nan 8.280 nan 0.000 0.492 157 S N 0.763 116.497 115.700 0.057 0.000 2.368 157 S HA -0.118 1.399 4.470 -4.922 0.000 0.225 157 S C 2.250 176.818 174.600 -0.054 0.000 1.030 157 S CA 0.969 59.144 58.200 -0.042 0.000 0.999 157 S CB -0.392 62.769 63.200 -0.065 0.000 0.844 157 S HN 0.324 nan 8.310 nan 0.000 0.459 158 L N 1.551 122.746 121.223 -0.047 0.000 1.989 158 L HA -0.050 1.337 4.340 -4.922 0.000 0.211 158 L C 2.055 178.928 176.870 0.004 0.000 1.071 158 L CA 1.648 56.479 54.840 -0.016 0.000 0.749 158 L CB -0.830 41.240 42.059 0.018 0.000 0.890 158 L HN 0.276 nan 8.230 nan 0.000 0.431 159 L N -0.998 120.215 121.223 -0.017 0.000 2.056 159 L HA -0.204 1.183 4.340 -4.922 0.000 0.207 159 L C 2.605 179.415 176.870 -0.100 0.000 1.078 159 L CA 1.785 56.587 54.840 -0.062 0.000 0.749 159 L CB -0.971 41.022 42.059 -0.110 0.000 0.901 159 L HN 0.427 nan 8.230 nan 0.000 0.433 160 H N -1.135 117.854 119.070 -0.135 0.000 2.389 160 H HA -0.076 1.527 4.556 -4.922 0.000 0.299 160 H C 2.018 177.326 175.328 -0.033 0.000 1.081 160 H CA 2.036 58.021 56.048 -0.105 0.000 1.345 160 H CB -0.100 29.517 29.762 -0.241 0.000 1.393 160 H HN 0.507 nan 8.280 nan 0.000 0.520 161 T N -0.780 113.805 114.554 0.052 0.000 2.896 161 T HA -0.026 1.371 4.350 -4.922 0.000 0.263 161 T C 2.376 177.027 174.700 -0.082 0.000 1.050 161 T CA 0.365 62.467 62.100 0.004 0.000 1.140 161 T CB -0.592 68.287 68.868 0.019 0.000 0.877 161 T HN 0.113 nan 8.240 nan 0.000 0.457 162 L N -0.405 120.777 121.223 -0.068 0.000 2.017 162 L HA -0.040 1.347 4.340 -4.922 0.000 0.208 162 L C 2.627 179.364 176.870 -0.221 0.000 1.073 162 L CA 1.869 56.611 54.840 -0.163 0.000 0.745 162 L CB -0.639 41.426 42.059 0.009 0.000 0.894 162 L HN 0.245 nan 8.230 nan 0.000 0.432 163 Y N 0.653 120.821 120.300 -0.219 0.000 2.145 163 Y HA -0.185 1.412 4.550 -4.922 0.000 0.286 163 Y C 2.295 178.050 175.900 -0.241 0.000 1.145 163 Y CA 1.534 59.480 58.100 -0.256 0.000 1.148 163 Y CB -0.747 37.523 38.460 -0.316 0.000 0.981 163 Y HN 0.081 nan 8.280 nan 0.000 0.507 164 G N 0.563 109.242 108.800 -0.202 0.000 2.476 164 G HA2 -0.303 0.704 3.960 -4.922 0.000 0.218 164 G HA3 -0.303 0.704 3.960 -4.922 0.000 0.218 164 G C 1.860 176.558 174.900 -0.336 0.000 1.164 164 G CA 0.902 45.861 45.100 -0.235 0.000 0.768 164 G HN 0.290 nan 8.290 nan 0.000 0.560 165 R N 0.818 121.091 120.500 -0.378 0.000 2.235 165 R HA -0.026 1.361 4.340 -4.922 0.000 0.213 165 R C 2.839 178.840 176.300 -0.500 0.000 1.059 165 R CA 1.278 57.106 56.100 -0.454 0.000 0.997 165 R CB -0.336 29.570 30.300 -0.656 0.000 0.884 165 R HN 0.530 nan 8.270 nan 0.000 0.462 166 S N -0.271 115.111 115.700 -0.530 0.000 2.515 166 S HA -0.020 1.497 4.470 -4.922 0.000 0.231 166 S C 1.609 176.152 174.600 -0.095 0.000 0.987 166 S CA 0.305 58.353 58.200 -0.253 0.000 0.936 166 S CB -0.002 63.124 63.200 -0.124 0.000 0.766 166 S HN 0.103 nan 8.310 nan 0.000 0.528 167 L N 1.179 122.233 121.223 -0.281 0.000 2.599 167 L HA 0.337 1.724 4.340 -4.922 0.000 0.230 167 L C 2.401 179.179 176.870 -0.153 0.000 1.141 167 L CA 0.830 55.545 54.840 -0.209 0.000 0.877 167 L CB -1.373 40.517 42.059 -0.282 0.000 1.009 167 L HN 0.395 nan 8.230 nan 0.000 0.447 168 R N -1.486 118.885 120.500 -0.215 0.000 2.236 168 R HA -0.013 1.374 4.340 -4.922 0.000 0.208 168 R C -0.160 175.838 176.300 -0.504 0.000 1.036 168 R CA 0.455 56.316 56.100 -0.398 0.000 1.001 168 R CB 0.311 30.260 30.300 -0.586 0.000 0.896 168 R HN 0.150 nan 8.270 nan 0.000 0.464 169 Y N -0.628 119.674 120.300 0.004 0.000 2.621 169 Y HA 0.138 1.736 4.550 -4.921 0.000 0.334 169 Y C 0.323 176.257 175.900 0.057 0.000 1.074 169 Y CA -1.464 56.668 58.100 0.053 0.000 1.149 169 Y CB 0.883 39.408 38.460 0.108 0.000 1.302 169 Y HN 0.033 nan 8.280 nan 0.000 0.501 170 D N -0.371 120.167 120.400 0.231 0.000 2.870 170 D HA 0.029 1.716 4.640 -4.922 0.000 0.241 170 D C -0.618 175.762 176.300 0.134 0.000 1.234 170 D CA -0.104 53.986 54.000 0.150 0.000 0.844 170 D CB -0.728 40.145 40.800 0.122 0.000 1.051 170 D HN 0.340 nan 8.370 nan 0.000 0.469 171 T N 0.621 115.249 114.554 0.123 0.000 2.834 171 T HA 0.134 1.531 4.350 -4.922 0.000 0.298 171 T C 0.437 175.070 174.700 -0.111 0.000 0.966 171 T CA -0.206 61.863 62.100 -0.051 0.000 1.141 171 T CB 0.985 69.751 68.868 -0.170 0.000 0.905 171 T HN 0.036 nan 8.240 nan 0.000 0.535 172 S N 3.397 118.998 115.700 -0.164 0.000 2.411 172 S HA 0.211 1.728 4.470 -4.922 0.000 0.304 172 S C -0.461 173.969 174.600 -0.284 0.000 1.098 172 S CA -0.565 57.550 58.200 -0.142 0.000 1.068 172 S CB -0.340 62.854 63.200 -0.010 0.000 1.032 172 S HN 0.531 nan 8.310 nan 0.000 0.511 173 Y N 2.249 122.477 120.300 -0.119 0.000 2.556 173 Y HA 0.239 1.836 4.550 -4.922 0.000 0.352 173 Y C 0.061 175.861 175.900 -0.166 0.000 1.006 173 Y CA -0.790 57.264 58.100 -0.077 0.000 1.277 173 Y CB -0.145 38.305 38.460 -0.016 0.000 1.136 173 Y HN 0.545 nan 8.280 nan 0.000 0.523 174 F N 3.242 123.080 119.950 -0.187 0.000 2.679 174 F HA 0.148 1.722 4.527 -4.921 0.000 0.351 174 F C 0.183 175.987 175.800 0.007 0.000 1.279 174 F CA -0.589 57.193 58.000 -0.364 0.000 1.227 174 F CB -0.573 37.903 39.000 -0.874 0.000 1.623 174 F HN 0.110 nan 8.300 nan 0.000 0.666 175 V N 1.926 122.005 119.914 0.275 0.000 2.572 175 V HA 0.027 1.194 4.120 -4.922 0.000 0.291 175 V C 0.549 176.879 176.094 0.394 0.000 1.039 175 V CA -0.923 61.567 62.300 0.317 0.000 1.055 175 V CB 0.392 32.402 31.823 0.311 0.000 0.969 175 V HN 0.711 nan 8.190 nan 0.000 0.482 176 E N 2.320 122.703 120.200 0.304 0.000 2.246 176 E HA -0.226 1.171 4.350 -4.922 0.000 0.211 176 E C -1.275 175.392 176.600 0.111 0.000 1.278 176 E CA 0.411 56.924 56.400 0.189 0.000 0.694 176 E CB -1.063 28.747 29.700 0.183 0.000 1.166 176 E HN 0.675 nan 8.360 nan 0.000 0.370 177 Y N 0.118 120.447 120.300 0.047 0.000 2.326 177 Y HA 0.353 1.950 4.550 -4.922 0.000 0.329 177 Y C -0.208 175.712 175.900 0.033 0.000 0.973 177 Y CA -0.998 57.125 58.100 0.039 0.000 1.162 177 Y CB 0.984 39.470 38.460 0.044 0.000 1.147 177 Y HN 0.231 nan 8.280 nan 0.000 0.456 178 F N 4.099 124.044 119.950 -0.008 0.000 2.434 178 F HA 0.596 2.170 4.527 -4.922 0.000 0.358 178 F C 0.557 176.357 175.800 0.001 0.000 1.136 178 F CA -0.744 57.241 58.000 -0.024 0.000 1.157 178 F CB 0.055 39.005 39.000 -0.083 0.000 1.167 178 F HN 0.596 nan 8.300 nan 0.000 0.539 179 A N 6.827 129.511 122.820 -0.228 0.000 2.488 179 A HA 0.336 1.703 4.320 -4.922 0.000 0.249 179 A C 0.370 177.861 177.584 -0.155 0.000 1.083 179 A CA -0.196 51.745 52.037 -0.159 0.000 0.768 179 A CB 0.345 19.221 19.000 -0.206 0.000 1.017 179 A HN 1.022 nan 8.150 nan 0.000 0.496 180 L N 1.165 122.395 121.223 0.011 0.000 2.347 180 L HA 0.292 1.679 4.340 -4.922 0.000 0.196 180 L C 0.295 177.175 176.870 0.016 0.000 1.072 180 L CA 0.492 55.383 54.840 0.084 0.000 0.817 180 L CB 0.064 42.183 42.059 0.099 0.000 1.029 180 L HN 0.591 nan 8.230 nan 0.000 0.478 181 D N -0.690 119.705 120.400 -0.008 0.000 2.602 181 D HA 0.354 2.041 4.640 -4.922 0.000 0.236 181 D C -1.389 174.892 176.300 -0.031 0.000 1.209 181 D CA -0.517 53.471 54.000 -0.019 0.000 0.831 181 D CB 3.164 43.960 40.800 -0.007 0.000 1.478 181 D HN -0.266 nan 8.370 nan 0.000 0.438 182 L N 1.301 122.503 121.223 -0.034 0.000 2.360 182 L HA 0.235 1.622 4.340 -4.922 0.000 0.276 182 L C 0.181 177.037 176.870 -0.024 0.000 1.121 182 L CA 0.033 54.852 54.840 -0.036 0.000 0.845 182 L CB 0.245 42.281 42.059 -0.039 0.000 1.143 182 L HN 0.270 nan 8.230 nan 0.000 0.452 183 L N 5.115 126.325 121.223 -0.022 0.000 2.500 183 L HA 0.155 1.542 4.340 -4.922 0.000 0.272 183 L C 0.012 176.875 176.870 -0.011 0.000 1.149 183 L CA 0.418 55.251 54.840 -0.011 0.000 0.897 183 L CB 0.239 42.295 42.059 -0.005 0.000 1.178 183 L HN 0.603 nan 8.230 nan 0.000 0.473 184 M N 4.292 123.887 119.600 -0.008 0.000 2.386 184 M HA 0.398 1.925 4.480 -4.922 0.000 0.293 184 M C -1.074 175.222 176.300 -0.006 0.000 1.120 184 M CA -0.254 55.040 55.300 -0.009 0.000 0.909 184 M CB 2.163 34.756 32.600 -0.011 0.000 1.661 184 M HN 0.435 nan 8.290 nan 0.000 0.452 185 E N 3.209 123.406 120.200 -0.006 0.000 2.334 185 E HA 0.321 1.718 4.350 -4.922 0.000 0.280 185 E C -1.028 175.568 176.600 -0.006 0.000 0.899 185 E CA -0.279 56.118 56.400 -0.004 0.000 0.813 185 E CB 0.664 30.364 29.700 -0.001 0.000 1.318 185 E HN 0.812 nan 8.360 nan 0.000 0.399 186 N N 3.420 122.116 118.700 -0.006 0.000 2.714 186 N HA -0.256 1.531 4.740 -4.922 0.000 0.253 186 N C 0.701 176.205 175.510 -0.011 0.000 1.024 186 N CA 1.594 54.639 53.050 -0.008 0.000 0.726 186 N CB -1.378 37.105 38.487 -0.007 0.000 0.908 186 N HN 1.038 nan 8.380 nan 0.000 0.542 187 G N -0.771 108.022 108.800 -0.011 0.000 2.396 187 G HA2 -0.370 0.637 3.960 -4.922 0.000 0.242 187 G HA3 -0.370 0.637 3.960 -4.922 0.000 0.242 187 G C -0.080 174.807 174.900 -0.022 0.000 1.069 187 G CA 0.696 45.786 45.100 -0.016 0.000 0.633 187 G HN 0.577 nan 8.290 nan 0.000 0.517 188 E N 0.526 120.714 120.200 -0.019 0.000 2.316 188 E HA 0.402 1.799 4.350 -4.922 0.000 0.275 188 E C 0.149 176.738 176.600 -0.017 0.000 1.029 188 E CA -0.182 56.206 56.400 -0.020 0.000 0.871 188 E CB 1.382 31.074 29.700 -0.012 0.000 1.022 188 E HN 0.328 nan 8.360 nan 0.000 0.418 189 C N 3.954 123.241 119.300 -0.022 0.000 2.435 189 C HA 0.260 1.767 4.460 -4.922 0.000 0.375 189 C C 1.136 176.123 174.990 -0.005 0.000 1.281 189 C CA -0.441 58.566 59.018 -0.018 0.000 1.963 189 C CB -0.383 27.340 27.740 -0.028 0.000 2.490 189 C HN 0.749 nan 8.230 nan 0.000 0.557 190 R N 3.193 123.692 120.500 -0.003 0.000 2.404 190 R HA 0.351 1.738 4.340 -4.922 0.000 0.237 190 R C 0.910 177.214 176.300 0.007 0.000 0.907 190 R CA 0.791 56.896 56.100 0.008 0.000 1.063 190 R CB 0.263 30.570 30.300 0.011 0.000 1.134 190 R HN 1.105 nan 8.270 nan 0.000 0.529 191 G N 0.258 109.052 108.800 -0.010 0.000 2.240 191 G HA2 -0.033 0.974 3.960 -4.922 0.000 0.199 191 G HA3 -0.033 0.974 3.960 -4.922 0.000 0.199 191 G C -1.399 173.472 174.900 -0.048 0.000 1.342 191 G CA -0.284 44.797 45.100 -0.031 0.000 1.145 191 G HN 0.162 nan 8.290 nan 0.000 0.477 192 V N -1.737 118.137 119.914 -0.067 0.000 3.007 192 V HA 0.853 2.020 4.120 -4.922 0.000 0.311 192 V C -0.285 175.783 176.094 -0.043 0.000 1.120 192 V CA -0.906 61.352 62.300 -0.070 0.000 0.980 192 V CB 1.875 33.630 31.823 -0.114 0.000 1.033 192 V HN 1.424 nan 8.190 nan 0.000 0.429 193 I N 2.864 123.423 120.570 -0.018 0.000 2.336 193 I HA 0.861 2.078 4.170 -4.922 0.000 0.292 193 I C 0.118 176.256 176.117 0.035 0.000 0.991 193 I CA -0.391 60.920 61.300 0.018 0.000 1.227 193 I CB 1.111 39.120 38.000 0.015 0.000 1.366 193 I HN 1.151 nan 8.210 nan 0.000 0.466 194 A N 7.307 130.185 122.820 0.097 0.000 2.414 194 A HA 0.641 2.008 4.320 -4.922 0.000 0.306 194 A C -1.492 176.227 177.584 0.224 0.000 1.054 194 A CA -0.635 51.493 52.037 0.151 0.000 0.724 194 A CB 1.601 20.693 19.000 0.153 0.000 1.267 194 A HN 0.734 nan 8.150 nan 0.000 0.418 195 L N 2.296 123.620 121.223 0.168 0.000 2.276 195 L HA 0.569 1.956 4.340 -4.922 0.000 0.286 195 L C -0.115 176.730 176.870 -0.042 0.000 1.061 195 L CA -0.289 54.602 54.840 0.085 0.000 0.807 195 L CB 0.999 43.066 42.059 0.013 0.000 1.177 195 L HN 0.724 nan 8.230 nan 0.000 0.429 196 C N 6.868 126.081 119.300 -0.144 0.000 2.289 196 C HA 0.304 1.811 4.460 -4.922 0.000 0.340 196 C C 1.857 176.610 174.990 -0.395 0.000 1.152 196 C CA -0.631 58.019 59.018 -0.614 0.000 1.650 196 C CB -1.781 25.651 27.740 -0.513 0.000 2.203 196 C HN 0.984 nan 8.230 nan 0.000 0.511 197 I N 3.090 123.376 120.570 -0.474 0.000 2.248 197 I HA -0.195 1.022 4.170 -4.922 0.000 0.248 197 I C 2.562 178.335 176.117 -0.574 0.000 1.107 197 I CA 1.536 62.478 61.300 -0.598 0.000 1.373 197 I CB -0.435 37.009 38.000 -0.927 0.000 1.055 197 I HN 0.764 nan 8.210 nan 0.000 0.418 198 E N 0.997 121.001 120.200 -0.327 0.000 2.110 198 E HA -0.257 1.140 4.350 -4.922 0.000 0.193 198 E C 1.033 177.687 176.600 0.089 0.000 0.988 198 E CA 1.734 58.154 56.400 0.034 0.000 0.804 198 E CB 0.112 29.885 29.700 0.121 0.000 0.745 198 E HN 0.680 nan 8.360 nan 0.000 0.458 199 D N -2.944 117.468 120.400 0.019 0.000 2.525 199 D HA 0.101 1.788 4.640 -4.922 0.000 0.231 199 D C 1.094 177.426 176.300 0.053 0.000 1.216 199 D CA 0.688 54.727 54.000 0.066 0.000 0.813 199 D CB 0.495 41.354 40.800 0.098 0.000 1.108 199 D HN 0.247 nan 8.370 nan 0.000 0.524 200 G N 0.995 109.800 108.800 0.009 0.000 2.179 200 G HA2 -0.306 0.701 3.960 -4.922 0.000 0.260 200 G HA3 -0.306 0.701 3.960 -4.922 0.000 0.260 200 G C 0.488 175.445 174.900 0.096 0.000 0.977 200 G CA 0.587 45.706 45.100 0.032 0.000 0.641 200 G HN 0.859 nan 8.290 nan 0.000 0.533 201 S N -0.581 115.185 115.700 0.111 0.000 2.600 201 S HA 0.704 2.221 4.470 -4.922 0.000 0.265 201 S C 0.157 174.826 174.600 0.115 0.000 1.325 201 S CA -0.328 57.946 58.200 0.122 0.000 1.002 201 S CB 1.820 65.097 63.200 0.129 0.000 0.921 201 S HN 0.620 nan 8.310 nan 0.000 0.554 202 I N 1.761 122.330 120.570 -0.001 0.000 2.436 202 I HA 0.365 1.582 4.170 -4.922 0.000 0.289 202 I C -0.258 175.813 176.117 -0.076 0.000 1.010 202 I CA -0.464 60.850 61.300 0.023 0.000 1.098 202 I CB 1.375 39.345 38.000 -0.050 0.000 1.266 202 I HN 0.661 nan 8.210 nan 0.000 0.434 203 H N 6.060 125.247 119.070 0.195 0.000 2.529 203 H HA 0.473 2.076 4.556 -4.922 0.000 0.348 203 H C -0.699 174.731 175.328 0.170 0.000 1.079 203 H CA -0.926 55.282 56.048 0.267 0.000 1.198 203 H CB 2.059 32.105 29.762 0.474 0.000 1.521 203 H HN 0.371 nan 8.280 nan 0.000 0.514 204 R N 3.159 123.811 120.500 0.253 0.000 2.471 204 R HA 0.309 1.696 4.340 -4.922 0.000 0.292 204 R C -0.269 176.136 176.300 0.174 0.000 1.192 204 R CA -0.401 55.787 56.100 0.146 0.000 1.257 204 R CB 0.227 30.576 30.300 0.082 0.000 1.130 204 R HN 0.442 nan 8.270 nan 0.000 0.558 205 I N 4.447 125.076 120.570 0.098 0.000 2.322 205 I HA 0.160 1.377 4.170 -4.922 0.000 0.292 205 I C 0.659 176.809 176.117 0.054 0.000 1.060 205 I CA -0.161 61.178 61.300 0.065 0.000 1.309 205 I CB 0.269 38.087 38.000 -0.302 0.000 1.415 205 I HN 0.359 nan 8.210 nan 0.000 0.492 206 R N 5.959 126.537 120.500 0.130 0.000 2.604 206 R HA 0.958 2.345 4.340 -4.922 0.000 0.287 206 R C -1.022 175.350 176.300 0.121 0.000 0.970 206 R CA -0.729 55.425 56.100 0.090 0.000 0.946 206 R CB 1.995 32.337 30.300 0.070 0.000 1.127 206 R HN 0.576 nan 8.270 nan 0.000 0.473 207 A N 1.775 124.642 122.820 0.078 0.000 2.599 207 A HA 0.368 1.735 4.320 -4.922 0.000 0.290 207 A C -0.008 177.612 177.584 0.060 0.000 1.101 207 A CA -0.933 51.157 52.037 0.089 0.000 0.674 207 A CB 1.709 20.758 19.000 0.082 0.000 1.277 207 A HN 0.899 nan 8.150 nan 0.000 0.419 208 R N -0.206 120.336 120.500 0.070 0.000 2.148 208 R HA 0.034 1.421 4.340 -4.922 0.000 0.223 208 R C -0.229 176.103 176.300 0.053 0.000 1.088 208 R CA 1.052 57.188 56.100 0.061 0.000 0.985 208 R CB 0.035 30.384 30.300 0.082 0.000 0.880 208 R HN 0.736 nan 8.270 nan 0.000 0.451 209 N N -0.821 117.901 118.700 0.037 0.000 2.357 209 N HA 0.242 2.029 4.740 -4.922 0.000 0.284 209 N C -1.527 173.993 175.510 0.017 0.000 1.236 209 N CA -0.400 52.679 53.050 0.049 0.000 0.774 209 N CB 2.572 41.052 38.487 -0.012 0.000 1.534 209 N HN -0.166 nan 8.380 nan 0.000 0.478 210 T N 0.262 114.857 114.554 0.067 0.000 3.011 210 T HA 0.326 1.723 4.350 -4.922 0.000 0.303 210 T C -0.466 174.267 174.700 0.054 0.000 0.997 210 T CA -0.460 61.646 62.100 0.010 0.000 1.007 210 T CB 1.689 70.550 68.868 -0.012 0.000 1.017 210 T HN 0.091 nan 8.240 nan 0.000 0.443 211 V N 3.462 123.363 119.914 -0.023 0.000 2.427 211 V HA 0.497 1.664 4.120 -4.922 0.000 0.286 211 V C -0.169 175.906 176.094 -0.032 0.000 1.034 211 V CA -0.687 61.609 62.300 -0.007 0.000 0.893 211 V CB 1.794 33.568 31.823 -0.082 0.000 0.982 211 V HN 0.743 nan 8.190 nan 0.000 0.452 212 V N 4.443 124.351 119.914 -0.010 0.000 2.293 212 V HA 0.635 1.802 4.120 -4.922 0.000 0.275 212 V C 0.455 176.535 176.094 -0.023 0.000 1.021 212 V CA -0.223 62.056 62.300 -0.035 0.000 0.815 212 V CB 1.216 33.014 31.823 -0.042 0.000 1.025 212 V HN 0.960 nan 8.190 nan 0.000 0.448 213 A N 2.783 125.585 122.820 -0.031 0.000 3.248 213 A HA 0.467 1.834 4.320 -4.922 0.000 0.315 213 A C 1.123 178.695 177.584 -0.020 0.000 0.974 213 A CA 0.253 52.283 52.037 -0.011 0.000 0.939 213 A CB 0.205 19.207 19.000 0.004 0.000 1.061 213 A HN 0.788 nan 8.150 nan 0.000 0.481 214 T N -2.741 111.793 114.554 -0.034 0.000 3.100 214 T HA 0.448 1.845 4.350 -4.922 0.000 0.253 214 T C 1.214 175.898 174.700 -0.027 0.000 1.118 214 T CA 0.927 63.000 62.100 -0.046 0.000 1.058 214 T CB -0.245 68.577 68.868 -0.075 0.000 0.953 214 T HN 2.089 nan 8.240 nan 0.000 0.515 215 G N 0.371 109.161 108.800 -0.016 0.000 2.741 215 G HA2 0.190 1.197 3.960 -4.922 0.000 0.222 215 G HA3 0.190 1.197 3.960 -4.922 0.000 0.222 215 G C 0.219 175.092 174.900 -0.045 0.000 1.364 215 G CA -0.512 44.572 45.100 -0.027 0.000 0.866 215 G HN 0.889 nan 8.290 nan 0.000 0.555 216 G N -1.563 107.166 108.800 -0.118 0.000 2.570 216 G HA2 0.634 1.640 3.960 -4.922 0.000 0.276 216 G HA3 0.634 1.640 3.960 -4.922 0.000 0.276 216 G C 0.168 175.053 174.900 -0.025 0.000 1.346 216 G CA 0.476 45.475 45.100 -0.167 0.000 1.034 216 G HN 1.982 nan 8.290 nan 0.000 0.512 217 Y N -2.732 117.488 120.300 -0.133 0.000 2.555 217 Y HA 0.512 2.107 4.550 -4.926 0.000 0.317 217 Y C 1.377 177.253 175.900 -0.041 0.000 0.928 217 Y CA -0.584 57.472 58.100 -0.072 0.000 1.116 217 Y CB 0.094 38.532 38.460 -0.036 0.000 1.169 217 Y HN 0.512 nan 8.280 nan 0.000 0.627 218 G N 1.418 110.107 108.800 -0.185 0.000 2.475 218 G HA2 -0.215 0.792 3.960 -4.922 0.000 0.220 218 G HA3 -0.215 0.792 3.960 -4.922 0.000 0.220 218 G C 1.606 176.510 174.900 0.007 0.000 1.125 218 G CA 0.375 45.377 45.100 -0.163 0.000 0.755 218 G HN 0.306 nan 8.290 nan 0.000 0.565 219 R N 0.876 121.386 120.500 0.017 0.000 2.369 219 R HA -0.021 1.366 4.340 -4.922 0.000 0.200 219 R C 2.450 178.817 176.300 0.111 0.000 1.046 219 R CA 1.186 57.315 56.100 0.048 0.000 1.057 219 R CB -0.976 29.347 30.300 0.037 0.000 0.888 219 R HN 0.605 nan 8.270 nan 0.000 0.474 220 T N -3.055 111.601 114.554 0.170 0.000 2.985 220 T HA -0.027 1.370 4.350 -4.922 0.000 0.266 220 T C 0.790 175.493 174.700 0.006 0.000 1.076 220 T CA 0.662 62.826 62.100 0.107 0.000 1.135 220 T CB -0.121 68.837 68.868 0.150 0.000 0.890 220 T HN 0.022 nan 8.240 nan 0.000 0.480 221 Y N -0.474 119.871 120.300 0.076 0.000 2.432 221 Y HA 0.499 2.093 4.550 -4.926 0.000 0.322 221 Y C 1.003 176.979 175.900 0.128 0.000 1.246 221 Y CA -2.172 55.993 58.100 0.109 0.000 1.268 221 Y CB 0.523 39.020 38.460 0.062 0.000 1.276 221 Y HN -0.055 nan 8.280 nan 0.000 0.499 222 F N 0.168 120.241 119.950 0.204 0.000 2.206 222 F HA 0.010 1.583 4.527 -4.923 0.000 0.298 222 F C 0.932 176.782 175.800 0.083 0.000 1.090 222 F CA 1.059 59.129 58.000 0.117 0.000 1.323 222 F CB 0.097 39.159 39.000 0.102 0.000 1.028 222 F HN 0.272 nan 8.300 nan 0.000 0.492 223 S N 0.473 116.185 115.700 0.020 0.000 2.552 223 S HA 0.601 2.118 4.470 -4.922 0.000 0.314 223 S C -0.680 173.862 174.600 -0.097 0.000 1.099 223 S CA -0.517 57.599 58.200 -0.139 0.000 1.070 223 S CB 0.119 63.312 63.200 -0.011 0.000 0.998 223 S HN 0.513 nan 8.310 nan 0.000 0.474 224 C N 2.587 121.783 119.300 -0.173 0.000 3.285 224 C HA 0.804 2.311 4.460 -4.922 0.000 0.320 224 C C 1.543 176.418 174.990 -0.191 0.000 1.411 224 C CA 0.145 59.049 59.018 -0.189 0.000 1.429 224 C CB 0.736 28.350 27.740 -0.210 0.000 1.812 224 C HN 0.809 nan 8.230 nan 0.000 0.454 225 T N -0.665 113.784 114.554 -0.175 0.000 3.037 225 T HA 0.196 1.593 4.350 -4.922 0.000 0.252 225 T C 0.822 175.417 174.700 -0.176 0.000 1.073 225 T CA 0.939 62.952 62.100 -0.146 0.000 1.091 225 T CB -0.719 68.123 68.868 -0.043 0.000 0.935 225 T HN 1.373 nan 8.240 nan 0.000 0.488 226 S N 1.721 117.244 115.700 -0.295 0.000 2.589 226 S HA 0.646 2.163 4.470 -4.922 0.000 0.265 226 S C 0.703 175.070 174.600 -0.389 0.000 1.342 226 S CA -0.587 57.310 58.200 -0.505 0.000 1.005 226 S CB 0.349 63.208 63.200 -0.568 0.000 0.909 226 S HN 0.719 nan 8.310 nan 0.000 0.555 227 A N 0.661 123.221 122.820 -0.434 0.000 2.409 227 A HA 0.206 1.573 4.320 -4.922 0.000 0.246 227 A C 1.271 178.751 177.584 -0.174 0.000 1.099 227 A CA -0.212 51.721 52.037 -0.173 0.000 0.789 227 A CB -0.479 18.510 19.000 -0.018 0.000 1.053 227 A HN 1.010 nan 8.150 nan 0.000 0.503 228 H N 0.025 119.078 119.070 -0.027 0.000 2.521 228 H HA -0.075 1.528 4.556 -4.921 0.000 0.286 228 H C 1.641 176.975 175.328 0.010 0.000 1.034 228 H CA 1.954 57.998 56.048 -0.008 0.000 1.278 228 H CB -0.091 29.681 29.762 0.017 0.000 1.386 228 H HN 0.792 nan 8.280 nan 0.000 0.567 229 T N -2.191 112.430 114.554 0.111 0.000 3.069 229 T HA 0.106 1.503 4.350 -4.922 0.000 0.252 229 T C 0.853 175.577 174.700 0.039 0.000 1.053 229 T CA -0.303 61.856 62.100 0.098 0.000 0.964 229 T CB 0.064 69.000 68.868 0.114 0.000 1.005 229 T HN -0.066 nan 8.240 nan 0.000 0.532 230 S N 3.314 118.997 115.700 -0.029 0.000 3.530 230 S HA 0.267 1.784 4.470 -4.922 0.000 0.279 230 S C 1.044 175.651 174.600 0.012 0.000 1.280 230 S CA -0.452 57.710 58.200 -0.065 0.000 0.946 230 S CB -0.254 62.826 63.200 -0.200 0.000 1.501 230 S HN 0.710 nan 8.310 nan 0.000 0.498 231 T N -1.740 112.849 114.554 0.057 0.000 3.200 231 T HA 0.393 1.790 4.350 -4.922 0.000 0.284 231 T C 1.113 175.869 174.700 0.094 0.000 1.009 231 T CA -0.042 62.117 62.100 0.098 0.000 0.907 231 T CB 0.164 69.104 68.868 0.120 0.000 1.120 231 T HN 0.660 nan 8.240 nan 0.000 0.534 232 G N 2.375 111.237 108.800 0.104 0.000 2.395 232 G HA2 -0.253 0.754 3.960 -4.922 0.000 0.300 232 G HA3 -0.253 0.754 3.960 -4.922 0.000 0.300 232 G C 0.460 175.343 174.900 -0.029 0.000 0.998 232 G CA 0.437 45.569 45.100 0.054 0.000 1.046 232 G HN 0.524 nan 8.290 nan 0.000 0.513 233 D N 0.153 120.531 120.400 -0.035 0.000 2.123 233 D HA -0.066 1.621 4.640 -4.922 0.000 0.200 233 D C 2.490 178.730 176.300 -0.100 0.000 0.976 233 D CA 1.482 55.435 54.000 -0.077 0.000 0.831 233 D CB -0.639 40.044 40.800 -0.195 0.000 0.974 233 D HN 0.516 nan 8.370 nan 0.000 0.469 234 G N 0.521 109.261 108.800 -0.100 0.000 2.432 234 G HA2 -0.231 0.776 3.960 -4.922 0.000 0.219 234 G HA3 -0.231 0.776 3.960 -4.922 0.000 0.219 234 G C 1.656 176.506 174.900 -0.082 0.000 1.135 234 G CA 1.483 46.529 45.100 -0.091 0.000 0.767 234 G HN 0.236 nan 8.290 nan 0.000 0.550 235 T N 1.789 116.292 114.554 -0.086 0.000 2.708 235 T HA -0.016 1.381 4.350 -4.922 0.000 0.266 235 T C 2.791 177.423 174.700 -0.113 0.000 1.037 235 T CA 1.527 63.558 62.100 -0.114 0.000 1.146 235 T CB -0.399 68.362 68.868 -0.179 0.000 0.865 235 T HN 0.359 nan 8.240 nan 0.000 0.435 236 A N 1.395 124.157 122.820 -0.097 0.000 1.930 236 A HA 0.010 1.377 4.320 -4.922 0.000 0.217 236 A C 2.354 179.909 177.584 -0.048 0.000 1.175 236 A CA 1.413 53.411 52.037 -0.065 0.000 0.627 236 A CB -0.735 18.246 19.000 -0.032 0.000 0.815 236 A HN 0.473 nan 8.150 nan 0.000 0.443 237 M N -0.739 118.829 119.600 -0.054 0.000 2.159 237 M HA -0.117 1.410 4.480 -4.922 0.000 0.263 237 M C 1.996 178.267 176.300 -0.049 0.000 1.063 237 M CA 1.219 56.489 55.300 -0.049 0.000 1.110 237 M CB -0.362 32.199 32.600 -0.064 0.000 1.374 237 M HN 0.239 nan 8.290 nan 0.000 0.411 238 V N -0.320 119.556 119.914 -0.063 0.000 2.379 238 V HA -0.206 0.961 4.120 -4.922 0.000 0.245 238 V C 2.306 178.361 176.094 -0.063 0.000 1.044 238 V CA 2.071 64.331 62.300 -0.067 0.000 1.036 238 V CB -0.964 30.808 31.823 -0.084 0.000 0.664 238 V HN 0.470 nan 8.190 nan 0.000 0.453 239 T N -0.000 114.511 114.554 -0.071 0.000 2.622 239 T HA -0.232 1.165 4.350 -4.922 0.000 0.266 239 T C 2.003 176.689 174.700 -0.024 0.000 1.047 239 T CA 1.681 63.743 62.100 -0.063 0.000 1.159 239 T CB -0.288 68.536 68.868 -0.073 0.000 0.863 239 T HN 0.390 nan 8.240 nan 0.000 0.422 240 R N 0.805 121.295 120.500 -0.015 0.000 2.285 240 R HA 0.141 1.528 4.340 -4.922 0.000 0.213 240 R C 2.293 178.595 176.300 0.003 0.000 1.068 240 R CA 0.739 56.841 56.100 0.002 0.000 1.004 240 R CB -0.175 30.129 30.300 0.006 0.000 0.873 240 R HN 0.310 nan 8.270 nan 0.000 0.467 241 A N -0.085 122.732 122.820 -0.005 0.000 2.251 241 A HA 0.220 1.587 4.320 -4.922 0.000 0.209 241 A C 1.549 179.143 177.584 0.018 0.000 1.187 241 A CA 0.780 52.816 52.037 -0.001 0.000 0.823 241 A CB 0.022 19.014 19.000 -0.014 0.000 0.846 241 A HN 0.411 nan 8.150 nan 0.000 0.486 242 G N -1.207 107.615 108.800 0.036 0.000 2.225 242 G HA2 -0.233 0.774 3.960 -4.922 0.000 0.254 242 G HA3 -0.233 0.774 3.960 -4.922 0.000 0.254 242 G C 0.186 175.179 174.900 0.155 0.000 0.988 242 G CA 0.290 45.446 45.100 0.094 0.000 0.625 242 G HN 0.462 nan 8.290 nan 0.000 0.527 243 L N 3.004 124.259 121.223 0.054 0.000 2.416 243 L HA 0.386 1.773 4.340 -4.922 0.000 0.272 243 L C -1.276 175.510 176.870 -0.140 0.000 1.161 243 L CA -1.852 52.993 54.840 0.009 0.000 0.845 243 L CB 0.482 42.524 42.059 -0.029 0.000 1.119 243 L HN 0.015 nan 8.230 nan 0.000 0.464 244 P HA 0.097 nan 4.420 nan 0.000 0.274 244 P C -0.872 176.202 177.300 -0.378 0.000 1.231 244 P CA -0.492 62.194 63.100 -0.690 0.000 0.790 244 P CB 0.939 32.194 31.700 -0.742 0.000 0.951 245 C N 1.542 120.619 119.300 -0.371 0.000 2.349 245 C HA 0.522 2.029 4.460 -4.922 0.000 0.361 245 C C 0.414 175.290 174.990 -0.190 0.000 1.189 245 C CA -0.132 58.752 59.018 -0.224 0.000 2.155 245 C CB 1.008 28.637 27.740 -0.185 0.000 2.336 245 C HN 0.565 nan 8.230 nan 0.000 0.540 246 Q N 0.317 120.051 119.800 -0.111 0.000 2.377 246 Q HA 0.231 1.618 4.340 -4.922 0.000 0.271 246 Q C -0.854 175.170 176.000 0.039 0.000 1.077 246 Q CA -0.339 55.425 55.803 -0.066 0.000 0.820 246 Q CB 1.254 29.914 28.738 -0.130 0.000 1.347 246 Q HN 0.805 nan 8.270 nan 0.000 0.444 247 D N 2.528 123.015 120.400 0.144 0.000 2.702 247 D HA -0.228 1.459 4.640 -4.922 0.000 0.233 247 D C 0.568 177.078 176.300 0.349 0.000 1.164 247 D CA 0.766 54.978 54.000 0.354 0.000 0.638 247 D CB -0.629 40.356 40.800 0.308 0.000 1.041 247 D HN 0.618 nan 8.370 nan 0.000 0.422 248 L N 0.180 121.529 121.223 0.210 0.000 2.552 248 L HA -0.105 1.282 4.340 -4.922 0.000 0.227 248 L C 2.522 179.533 176.870 0.234 0.000 1.146 248 L CA 0.719 55.696 54.840 0.228 0.000 0.858 248 L CB -0.150 41.981 42.059 0.120 0.000 0.969 248 L HN 0.166 nan 8.230 nan 0.000 0.451 249 E N 0.446 120.721 120.200 0.124 0.000 2.371 249 E HA -0.119 1.278 4.350 -4.922 0.000 0.194 249 E C 0.262 176.843 176.600 -0.032 0.000 1.012 249 E CA 0.075 56.473 56.400 -0.003 0.000 0.860 249 E CB -0.135 29.427 29.700 -0.230 0.000 0.811 249 E HN 0.261 nan 8.360 nan 0.000 0.502 250 F N 1.862 121.898 119.950 0.143 0.000 2.462 250 F HA 0.222 1.793 4.527 -4.926 0.000 0.360 250 F C -0.048 175.817 175.800 0.110 0.000 1.134 250 F CA -0.382 57.709 58.000 0.151 0.000 1.148 250 F CB 1.081 40.164 39.000 0.139 0.000 1.147 250 F HN -0.283 nan 8.300 nan 0.000 0.550 251 V N 4.094 124.145 119.914 0.229 0.000 2.483 251 V HA 0.239 1.406 4.120 -4.922 0.000 0.297 251 V C -0.238 175.860 176.094 0.008 0.000 1.027 251 V CA -1.010 61.305 62.300 0.025 0.000 0.855 251 V CB 1.662 33.430 31.823 -0.092 0.000 0.995 251 V HN 0.625 nan 8.190 nan 0.000 0.424 252 Q N 3.299 123.085 119.800 -0.024 0.000 2.296 252 Q HA 0.395 1.782 4.340 -4.922 0.000 0.262 252 Q C -1.462 174.461 176.000 -0.128 0.000 0.981 252 Q CA -0.197 55.635 55.803 0.048 0.000 0.905 252 Q CB 0.627 29.457 28.738 0.152 0.000 1.186 252 Q HN 0.625 nan 8.270 nan 0.000 0.399 253 F N 3.293 123.233 119.950 -0.017 0.000 2.313 253 F HA 0.173 1.745 4.527 -4.926 0.000 0.369 253 F C 0.072 175.865 175.800 -0.011 0.000 1.109 253 F CA -0.655 57.329 58.000 -0.026 0.000 1.132 253 F CB 0.616 39.571 39.000 -0.074 0.000 1.291 253 F HN 0.619 nan 8.300 nan 0.000 0.496 254 H N 5.191 124.274 119.070 0.021 0.000 2.975 254 H HA 0.099 1.701 4.556 -4.922 0.000 0.303 254 H C -1.707 173.610 175.328 -0.019 0.000 1.023 254 H CA -1.248 54.738 56.048 -0.103 0.000 1.473 254 H CB 1.080 30.640 29.762 -0.336 0.000 1.498 254 H HN 0.319 nan 8.280 nan 0.000 0.549 255 P HA -0.109 nan 4.420 nan 0.000 0.218 255 P C -0.257 177.130 177.300 0.144 0.000 1.148 255 P CA 1.343 64.457 63.100 0.023 0.000 0.822 255 P CB 0.295 31.939 31.700 -0.094 0.000 0.784 256 T N -2.496 112.241 114.554 0.305 0.000 2.842 256 T HA 0.716 2.113 4.350 -4.922 0.000 0.308 256 T C -0.028 174.766 174.700 0.156 0.000 1.041 256 T CA -0.816 61.423 62.100 0.232 0.000 0.964 256 T CB 1.329 70.308 68.868 0.185 0.000 0.972 256 T HN 0.052 nan 8.240 nan 0.000 0.460 257 G N 3.004 111.858 108.800 0.090 0.000 2.766 257 G HA2 0.538 1.544 3.960 -4.922 0.000 0.297 257 G HA3 0.538 1.544 3.960 -4.922 0.000 0.297 257 G C -0.665 174.245 174.900 0.016 0.000 1.431 257 G CA -1.029 44.078 45.100 0.012 0.000 1.042 257 G HN 0.798 nan 8.290 nan 0.000 0.542 258 I N 2.149 122.706 120.570 -0.021 0.000 2.906 258 I HA -0.100 1.116 4.170 -4.922 0.000 0.301 258 I C 1.641 177.756 176.117 -0.004 0.000 1.221 258 I CA 0.027 61.325 61.300 -0.004 0.000 1.435 258 I CB 0.305 38.294 38.000 -0.020 0.000 1.345 258 I HN 0.668 nan 8.210 nan 0.000 0.558 259 Y N 6.553 126.768 120.300 -0.141 0.000 2.241 259 Y HA -0.205 1.391 4.550 -4.923 0.000 0.286 259 Y C 1.841 177.691 175.900 -0.082 0.000 1.166 259 Y CA 1.594 59.590 58.100 -0.174 0.000 1.203 259 Y CB -0.480 37.679 38.460 -0.502 0.000 0.977 259 Y HN 0.660 nan 8.280 nan 0.000 0.529 260 G N -0.136 108.542 108.800 -0.204 0.000 2.632 260 G HA2 -0.052 0.955 3.960 -4.922 0.000 0.183 260 G HA3 -0.052 0.955 3.960 -4.922 0.000 0.183 260 G C 1.640 176.434 174.900 -0.178 0.000 1.592 260 G CA 0.845 45.816 45.100 -0.215 0.000 0.880 260 G HN 0.548 nan 8.290 nan 0.000 0.399 261 A N -1.037 121.742 122.820 -0.070 0.000 2.172 261 A HA 0.399 1.766 4.320 -4.922 0.000 0.216 261 A C 1.958 179.426 177.584 -0.195 0.000 1.154 261 A CA 1.648 53.630 52.037 -0.093 0.000 0.701 261 A CB -0.658 18.360 19.000 0.030 0.000 0.789 261 A HN 2.171 nan 8.150 nan 0.000 0.465 262 G N -2.171 106.510 108.800 -0.199 0.000 2.130 262 G HA2 -0.229 0.778 3.960 -4.922 0.000 0.216 262 G HA3 -0.229 0.778 3.960 -4.922 0.000 0.216 262 G C 0.198 174.968 174.900 -0.217 0.000 0.999 262 G CA -0.115 44.873 45.100 -0.187 0.000 0.686 262 G HN 0.586 nan 8.290 nan 0.000 0.515 263 C N -0.317 118.797 119.300 -0.311 0.000 2.700 263 C HA 0.595 2.102 4.460 -4.922 0.000 0.397 263 C C 1.133 175.998 174.990 -0.207 0.000 1.301 263 C CA -0.337 58.468 59.018 -0.354 0.000 2.219 263 C CB 0.602 27.936 27.740 -0.677 0.000 2.699 263 C HN 0.701 nan 8.230 nan 0.000 0.669 264 L N 2.395 123.517 121.223 -0.168 0.000 2.334 264 L HA 0.594 1.981 4.340 -4.922 0.000 0.277 264 L C -0.561 176.248 176.870 -0.102 0.000 1.075 264 L CA 0.308 55.064 54.840 -0.140 0.000 0.804 264 L CB 0.415 42.399 42.059 -0.125 0.000 1.174 264 L HN 0.524 nan 8.230 nan 0.000 0.438 265 I N 3.937 124.456 120.570 -0.085 0.000 2.362 265 I HA 0.249 1.466 4.170 -4.922 0.000 0.289 265 I C 0.517 176.634 176.117 0.001 0.000 0.994 265 I CA -0.393 60.899 61.300 -0.014 0.000 1.158 265 I CB 1.643 39.664 38.000 0.034 0.000 1.315 265 I HN 0.611 nan 8.210 nan 0.000 0.451 266 T N 3.178 117.752 114.554 0.034 0.000 2.855 266 T HA -0.057 1.340 4.350 -4.922 0.000 0.322 266 T C 1.150 175.917 174.700 0.113 0.000 1.088 266 T CA 0.273 62.429 62.100 0.093 0.000 1.104 266 T CB 0.617 69.568 68.868 0.139 0.000 0.996 266 T HN 0.822 nan 8.240 nan 0.000 0.549 267 E N 1.675 121.933 120.200 0.097 0.000 2.347 267 E HA 0.019 1.416 4.350 -4.922 0.000 0.196 267 E C 2.037 178.341 176.600 -0.493 0.000 1.008 267 E CA 0.743 56.977 56.400 -0.277 0.000 0.852 267 E CB -0.665 28.699 29.700 -0.561 0.000 0.783 267 E HN 0.916 nan 8.360 nan 0.000 0.505 268 G N 0.303 109.017 108.800 -0.144 0.000 2.470 268 G HA2 -0.278 0.729 3.960 -4.922 0.000 0.220 268 G HA3 -0.278 0.729 3.960 -4.922 0.000 0.220 268 G C 1.534 176.452 174.900 0.030 0.000 1.121 268 G CA 0.842 45.990 45.100 0.081 0.000 0.766 268 G HN 0.378 nan 8.290 nan 0.000 0.553 269 C N -0.064 119.242 119.300 0.010 0.000 2.425 269 C HA 0.045 1.552 4.460 -4.922 0.000 0.277 269 C C 2.865 177.851 174.990 -0.006 0.000 1.280 269 C CA 0.597 59.629 59.018 0.023 0.000 1.744 269 C CB -0.743 27.018 27.740 0.035 0.000 1.989 269 C HN 0.458 nan 8.230 nan 0.000 0.491 270 R N 0.367 120.820 120.500 -0.079 0.000 2.193 270 R HA 0.015 1.402 4.340 -4.922 0.000 0.213 270 R C 2.315 178.551 176.300 -0.107 0.000 1.055 270 R CA 1.148 57.190 56.100 -0.098 0.000 0.995 270 R CB -0.373 29.829 30.300 -0.164 0.000 0.893 270 R HN 0.627 nan 8.270 nan 0.000 0.459 271 G N 0.285 109.006 108.800 -0.131 0.000 2.603 271 G HA2 -0.123 0.884 3.960 -4.922 0.000 0.214 271 G HA3 -0.123 0.884 3.960 -4.922 0.000 0.214 271 G C 1.134 176.056 174.900 0.035 0.000 1.140 271 G CA 0.011 45.069 45.100 -0.070 0.000 0.800 271 G HN 0.139 nan 8.290 nan 0.000 0.533 272 E N 0.074 120.313 120.200 0.064 0.000 2.474 272 E HA 0.169 1.566 4.350 -4.922 0.000 0.194 272 E C 1.594 178.250 176.600 0.094 0.000 1.041 272 E CA 0.609 57.074 56.400 0.108 0.000 0.874 272 E CB 0.618 30.393 29.700 0.124 0.000 0.914 272 E HN 0.435 nan 8.360 nan 0.000 0.498 273 G N 0.829 109.673 108.800 0.073 0.000 2.200 273 G HA2 -0.147 0.860 3.960 -4.922 0.000 0.145 273 G HA3 -0.147 0.860 3.960 -4.922 0.000 0.145 273 G C 0.510 175.484 174.900 0.124 0.000 1.021 273 G CA -0.340 44.813 45.100 0.087 0.000 0.720 273 G HN 0.365 nan 8.290 nan 0.000 0.494 274 G N 0.230 109.086 108.800 0.093 0.000 2.432 274 G HA2 0.567 1.574 3.960 -4.922 0.000 0.257 274 G HA3 0.567 1.574 3.960 -4.922 0.000 0.257 274 G C -0.041 174.927 174.900 0.114 0.000 1.238 274 G CA -0.147 45.016 45.100 0.105 0.000 0.838 274 G HN 0.369 nan 8.290 nan 0.000 0.547 275 I N 1.165 121.838 120.570 0.171 0.000 2.740 275 I HA 0.377 1.594 4.170 -4.922 0.000 0.303 275 I C -0.466 175.747 176.117 0.161 0.000 1.044 275 I CA -1.083 60.316 61.300 0.164 0.000 1.064 275 I CB 1.805 39.954 38.000 0.248 0.000 1.249 275 I HN 0.185 nan 8.210 nan 0.000 0.433 276 L N 5.310 126.636 121.223 0.171 0.000 2.282 276 L HA 0.467 1.854 4.340 -4.922 0.000 0.288 276 L C -0.390 176.742 176.870 0.436 0.000 1.033 276 L CA -0.071 54.947 54.840 0.296 0.000 0.807 276 L CB 1.097 43.359 42.059 0.338 0.000 1.209 276 L HN 0.317 nan 8.230 nan 0.000 0.423 277 I N 3.382 124.171 120.570 0.365 0.000 2.433 277 I HA 0.367 1.584 4.170 -4.922 0.000 0.292 277 I C 0.183 176.417 176.117 0.195 0.000 1.001 277 I CA -0.307 61.167 61.300 0.290 0.000 1.119 277 I CB 1.506 39.615 38.000 0.182 0.000 1.289 277 I HN 0.712 nan 8.210 nan 0.000 0.438 278 N N 3.072 121.796 118.700 0.040 0.000 2.460 278 N HA 0.143 1.930 4.740 -4.922 0.000 0.296 278 N C 0.983 176.497 175.510 0.006 0.000 1.319 278 N CA 0.098 53.062 53.050 -0.142 0.000 0.945 278 N CB -0.333 37.942 38.487 -0.352 0.000 1.096 278 N HN 0.462 nan 8.380 nan 0.000 0.538 279 S N -2.790 112.875 115.700 -0.059 0.000 2.489 279 S HA -0.067 1.450 4.470 -4.922 0.000 0.228 279 S C 1.411 176.009 174.600 -0.003 0.000 0.995 279 S CA 0.472 58.663 58.200 -0.015 0.000 0.934 279 S CB -0.384 62.775 63.200 -0.068 0.000 0.771 279 S HN 0.665 nan 8.310 nan 0.000 0.522 280 Q N 0.418 120.213 119.800 -0.008 0.000 2.319 280 Q HA 0.326 1.713 4.340 -4.922 0.000 0.209 280 Q C 1.055 177.062 176.000 0.012 0.000 0.884 280 Q CA 0.455 56.258 55.803 -0.002 0.000 0.938 280 Q CB 0.237 28.972 28.738 -0.004 0.000 1.098 280 Q HN 0.748 nan 8.270 nan 0.000 0.517 281 G N 1.388 110.205 108.800 0.029 0.000 2.141 281 G HA2 -0.278 0.729 3.960 -4.922 0.000 0.231 281 G HA3 -0.278 0.729 3.960 -4.922 0.000 0.231 281 G C -0.208 174.735 174.900 0.073 0.000 0.984 281 G CA 0.269 45.392 45.100 0.040 0.000 0.660 281 G HN 0.405 nan 8.290 nan 0.000 0.525 282 E N 0.256 120.509 120.200 0.088 0.000 2.338 282 E HA 0.336 1.733 4.350 -4.922 0.000 0.272 282 E C 0.803 177.525 176.600 0.204 0.000 1.029 282 E CA -0.807 55.664 56.400 0.118 0.000 0.872 282 E CB 0.321 30.084 29.700 0.105 0.000 1.015 282 E HN 0.291 nan 8.360 nan 0.000 0.417 283 R N 5.191 125.786 120.500 0.158 0.000 3.206 283 R HA -0.006 1.381 4.340 -4.922 0.000 0.209 283 R C 0.692 177.082 176.300 0.149 0.000 1.632 283 R CA -0.013 56.180 56.100 0.154 0.000 1.234 283 R CB -0.559 29.786 30.300 0.075 0.000 1.270 283 R HN 0.562 nan 8.270 nan 0.000 0.665 284 F N 1.382 121.371 119.950 0.066 0.000 2.661 284 F HA 0.022 1.595 4.527 -4.923 0.000 0.298 284 F C 1.081 176.960 175.800 0.131 0.000 1.137 284 F CA 0.014 58.056 58.000 0.069 0.000 1.454 284 F CB 0.117 39.185 39.000 0.115 0.000 1.103 284 F HN 0.241 nan 8.300 nan 0.000 0.577 285 M N 0.956 120.240 119.600 -0.528 0.000 2.619 285 M HA -0.009 1.518 4.480 -4.922 0.000 0.251 285 M C 1.757 177.998 176.300 -0.097 0.000 1.106 285 M CA 0.790 55.876 55.300 -0.356 0.000 1.086 285 M CB -1.007 31.343 32.600 -0.417 0.000 1.465 285 M HN 0.427 nan 8.290 nan 0.000 0.506 286 E N -0.085 120.065 120.200 -0.083 0.000 2.435 286 E HA -0.077 1.319 4.350 -4.922 0.000 0.195 286 E C 2.015 178.573 176.600 -0.070 0.000 1.029 286 E CA 0.192 56.564 56.400 -0.047 0.000 0.865 286 E CB 0.315 29.997 29.700 -0.031 0.000 0.833 286 E HN 0.339 nan 8.360 nan 0.000 0.510 287 R N -0.969 119.442 120.500 -0.149 0.000 2.153 287 R HA -0.073 1.314 4.340 -4.922 0.000 0.218 287 R C 0.962 177.047 176.300 -0.359 0.000 1.072 287 R CA 1.087 57.013 56.100 -0.290 0.000 0.990 287 R CB 0.201 30.240 30.300 -0.434 0.000 0.889 287 R HN 0.225 nan 8.270 nan 0.000 0.452 288 Y N -0.984 119.311 120.300 -0.009 0.000 2.333 288 Y HA 0.371 1.969 4.550 -4.920 0.000 0.287 288 Y C 0.785 176.685 175.900 0.001 0.000 1.149 288 Y CA -0.093 58.009 58.100 0.003 0.000 1.193 288 Y CB -0.021 38.438 38.460 -0.002 0.000 1.175 288 Y HN -0.061 nan 8.280 nan 0.000 0.518 289 A N 2.157 125.076 122.820 0.165 0.000 2.276 289 A HA 0.349 1.716 4.320 -4.922 0.000 0.300 289 A C -2.027 175.589 177.584 0.054 0.000 1.235 289 A CA -1.369 50.727 52.037 0.099 0.000 0.867 289 A CB 0.127 19.177 19.000 0.083 0.000 1.137 289 A HN 0.163 nan 8.150 nan 0.000 0.527 290 P HA -0.001 nan 4.420 nan 0.000 0.218 290 P C 1.326 178.644 177.300 0.031 0.000 1.151 290 P CA 0.694 63.810 63.100 0.028 0.000 0.850 290 P CB 0.122 31.836 31.700 0.023 0.000 0.801 291 V N 0.548 120.492 119.914 0.049 0.000 2.302 291 V HA -0.000 1.167 4.120 -4.922 0.000 0.243 291 V C 2.609 178.743 176.094 0.066 0.000 1.036 291 V CA 2.276 64.609 62.300 0.054 0.000 1.020 291 V CB -1.653 30.207 31.823 0.061 0.000 0.657 291 V HN 0.073 nan 8.190 nan 0.000 0.453 292 A N -2.036 120.842 122.820 0.096 0.000 2.115 292 A HA 0.185 1.552 4.320 -4.922 0.000 0.211 292 A C 1.345 178.932 177.584 0.005 0.000 1.169 292 A CA 0.702 52.780 52.037 0.068 0.000 0.787 292 A CB 0.086 19.155 19.000 0.115 0.000 0.858 292 A HN 0.503 nan 8.150 nan 0.000 0.474 293 K N -0.965 119.440 120.400 0.009 0.000 1.979 293 K HA -0.279 1.088 4.320 -4.922 0.000 0.143 293 K C 0.361 176.919 176.600 -0.070 0.000 1.185 293 K CA 1.843 58.115 56.287 -0.025 0.000 0.336 293 K CB -1.331 31.152 32.500 -0.028 0.000 0.680 293 K HN 0.577 nan 8.250 nan 0.000 0.783 294 D N 0.834 121.180 120.400 -0.090 0.000 2.349 294 D HA 0.089 1.776 4.640 -4.922 0.000 0.224 294 D C 0.858 177.079 176.300 -0.132 0.000 1.029 294 D CA 0.291 54.217 54.000 -0.125 0.000 0.879 294 D CB 0.160 40.897 40.800 -0.105 0.000 0.906 294 D HN 0.209 nan 8.370 nan 0.000 0.528 295 L N 0.180 121.328 121.223 -0.125 0.000 3.062 295 L HA 0.554 1.941 4.340 -4.922 0.000 0.255 295 L C 0.186 176.934 176.870 -0.204 0.000 1.274 295 L CA -0.646 54.094 54.840 -0.167 0.000 1.047 295 L CB -0.300 41.677 42.059 -0.138 0.000 1.402 295 L HN 0.107 nan 8.230 nan 0.000 0.550 296 A N -1.227 121.475 122.820 -0.197 0.000 2.240 296 A HA 0.678 2.045 4.320 -4.922 0.000 0.292 296 A C 0.545 177.929 177.584 -0.333 0.000 1.121 296 A CA -0.348 51.533 52.037 -0.258 0.000 0.851 296 A CB 0.224 19.168 19.000 -0.093 0.000 1.167 296 A HN 0.294 nan 8.150 nan 0.000 0.503 297 S N -0.369 115.096 115.700 -0.393 0.000 2.568 297 S HA 0.097 1.614 4.470 -4.922 0.000 0.282 297 S C 1.447 175.938 174.600 -0.183 0.000 1.338 297 S CA -0.348 57.677 58.200 -0.293 0.000 1.045 297 S CB 0.468 63.552 63.200 -0.194 0.000 0.873 297 S HN 0.600 nan 8.310 nan 0.000 0.516 298 R N 1.588 121.985 120.500 -0.171 0.000 2.120 298 R HA -0.121 1.266 4.340 -4.922 0.000 0.234 298 R C 1.631 177.876 176.300 -0.092 0.000 1.123 298 R CA 1.548 57.552 56.100 -0.160 0.000 0.975 298 R CB -0.425 29.775 30.300 -0.166 0.000 0.866 298 R HN 0.777 nan 8.270 nan 0.000 0.446 299 D N 0.174 120.544 120.400 -0.050 0.000 2.310 299 D HA -0.085 1.602 4.640 -4.922 0.000 0.212 299 D C 1.565 177.827 176.300 -0.063 0.000 0.965 299 D CA 0.815 54.802 54.000 -0.022 0.000 0.879 299 D CB 0.020 40.839 40.800 0.033 0.000 0.921 299 D HN 0.108 nan 8.370 nan 0.000 0.510 300 V N 0.109 119.983 119.914 -0.067 0.000 2.908 300 V HA -0.052 1.115 4.120 -4.922 0.000 0.240 300 V C 2.784 178.799 176.094 -0.133 0.000 1.117 300 V CA 0.308 62.561 62.300 -0.078 0.000 1.133 300 V CB 0.308 32.122 31.823 -0.014 0.000 0.857 300 V HN 0.029 nan 8.190 nan 0.000 0.478 301 V N 1.661 121.495 119.914 -0.133 0.000 2.261 301 V HA -0.242 0.925 4.120 -4.922 0.000 0.246 301 V C 2.789 178.811 176.094 -0.120 0.000 1.047 301 V CA 2.655 64.864 62.300 -0.151 0.000 1.015 301 V CB -0.932 30.795 31.823 -0.160 0.000 0.642 301 V HN 0.725 nan 8.190 nan 0.000 0.446 302 S N 0.136 115.775 115.700 -0.102 0.000 2.423 302 S HA -0.218 1.299 4.470 -4.922 0.000 0.231 302 S C 2.039 176.571 174.600 -0.112 0.000 1.014 302 S CA 1.438 59.599 58.200 -0.064 0.000 0.965 302 S CB -0.472 62.712 63.200 -0.028 0.000 0.785 302 S HN 0.525 nan 8.310 nan 0.000 0.495 303 R N 0.982 121.371 120.500 -0.185 0.000 2.193 303 R HA 0.164 1.551 4.340 -4.922 0.000 0.213 303 R C 1.951 178.183 176.300 -0.113 0.000 1.055 303 R CA 1.066 57.000 56.100 -0.276 0.000 0.995 303 R CB -0.231 29.845 30.300 -0.373 0.000 0.893 303 R HN 0.455 nan 8.270 nan 0.000 0.459 304 S N -0.013 115.569 115.700 -0.198 0.000 2.436 304 S HA -0.019 1.498 4.470 -4.922 0.000 0.228 304 S C 1.684 176.267 174.600 -0.029 0.000 1.014 304 S CA 0.798 58.770 58.200 -0.381 0.000 0.950 304 S CB 0.064 62.758 63.200 -0.843 0.000 0.784 304 S HN 0.287 nan 8.310 nan 0.000 0.504 305 M N 0.964 120.613 119.600 0.082 0.000 2.160 305 M HA -0.049 1.478 4.480 -4.922 0.000 0.264 305 M C 2.090 178.438 176.300 0.080 0.000 1.073 305 M CA 1.193 56.595 55.300 0.169 0.000 1.142 305 M CB -0.853 31.845 32.600 0.164 0.000 1.358 305 M HN 0.190 nan 8.290 nan 0.000 0.422 306 T N 1.140 115.734 114.554 0.067 0.000 2.962 306 T HA -0.083 1.314 4.350 -4.922 0.000 0.270 306 T C 1.664 176.468 174.700 0.173 0.000 1.088 306 T CA 0.771 62.930 62.100 0.099 0.000 1.127 306 T CB -0.184 68.715 68.868 0.053 0.000 0.883 306 T HN 0.171 nan 8.240 nan 0.000 0.493 307 L N 1.280 122.623 121.223 0.200 0.000 2.056 307 L HA 0.009 1.396 4.340 -4.922 0.000 0.207 307 L C 2.452 179.352 176.870 0.050 0.000 1.078 307 L CA 1.676 56.583 54.840 0.112 0.000 0.749 307 L CB -0.385 41.749 42.059 0.124 0.000 0.901 307 L HN 0.050 nan 8.230 nan 0.000 0.433 308 E N -0.280 119.955 120.200 0.057 0.000 2.153 308 E HA -0.184 1.213 4.350 -4.922 0.000 0.194 308 E C 2.257 178.823 176.600 -0.057 0.000 0.988 308 E CA 1.479 57.872 56.400 -0.011 0.000 0.811 308 E CB -0.168 29.463 29.700 -0.116 0.000 0.746 308 E HN 0.588 nan 8.360 nan 0.000 0.466 309 I N 0.739 121.285 120.570 -0.041 0.000 2.252 309 I HA -0.219 0.998 4.170 -4.922 0.000 0.245 309 I C 2.245 178.335 176.117 -0.045 0.000 1.102 309 I CA 0.880 62.150 61.300 -0.050 0.000 1.385 309 I CB -0.162 37.828 38.000 -0.017 0.000 1.064 309 I HN -0.092 nan 8.210 nan 0.000 0.414 310 R N 0.794 121.271 120.500 -0.038 0.000 2.276 310 R HA -0.016 1.371 4.340 -4.922 0.000 0.203 310 R C 1.822 178.085 176.300 -0.061 0.000 1.017 310 R CA 0.579 56.645 56.100 -0.058 0.000 1.010 310 R CB -0.373 29.872 30.300 -0.092 0.000 0.900 310 R HN 0.447 nan 8.270 nan 0.000 0.469 311 E N -0.332 119.838 120.200 -0.049 0.000 2.072 311 E HA -0.050 1.347 4.350 -4.922 0.000 0.190 311 E C 1.218 177.790 176.600 -0.046 0.000 0.982 311 E CA 1.339 57.714 56.400 -0.042 0.000 0.803 311 E CB 0.107 29.794 29.700 -0.022 0.000 0.755 311 E HN 0.496 nan 8.360 nan 0.000 0.453 312 G N 1.009 109.776 108.800 -0.055 0.000 2.205 312 G HA2 -0.228 0.779 3.960 -4.922 0.000 0.180 312 G HA3 -0.228 0.779 3.960 -4.922 0.000 0.180 312 G C 0.544 175.403 174.900 -0.069 0.000 1.004 312 G CA -0.020 45.045 45.100 -0.058 0.000 0.670 312 G HN 0.174 nan 8.290 nan 0.000 0.496 313 R N 1.240 121.694 120.500 -0.078 0.000 4.263 313 R HA 0.435 1.821 4.340 -4.922 0.000 0.248 313 R C 1.307 177.523 176.300 -0.140 0.000 1.796 313 R CA 0.304 56.347 56.100 -0.096 0.000 1.518 313 R CB 0.191 30.436 30.300 -0.090 0.000 1.342 313 R HN 0.326 nan 8.270 nan 0.000 0.706 314 G N 0.048 108.760 108.800 -0.145 0.000 2.442 314 G HA2 0.148 1.155 3.960 -4.922 0.000 0.249 314 G HA3 0.148 1.155 3.960 -4.922 0.000 0.249 314 G C -0.048 174.697 174.900 -0.259 0.000 1.263 314 G CA -0.420 44.554 45.100 -0.209 0.000 0.846 314 G HN 0.462 nan 8.290 nan 0.000 0.555 315 C N 2.410 121.466 119.300 -0.407 0.000 2.717 315 C HA 0.835 2.342 4.460 -4.922 0.000 0.306 315 C C 0.863 175.336 174.990 -0.861 0.000 1.225 315 C CA -0.447 58.294 59.018 -0.460 0.000 1.658 315 C CB -0.818 26.658 27.740 -0.440 0.000 1.714 315 C HN 1.125 nan 8.230 nan 0.000 0.463 316 G N 1.789 110.223 108.800 -0.610 0.000 2.430 316 G HA2 0.550 1.557 3.960 -4.922 0.000 0.300 316 G HA3 0.550 1.557 3.960 -4.922 0.000 0.300 316 G C -2.610 172.147 174.900 -0.238 0.000 1.330 316 G CA -0.540 44.185 45.100 -0.625 0.000 0.813 316 G HN 0.052 nan 8.290 nan 0.000 0.487 317 P HA 0.075 nan 4.420 nan 0.000 0.222 317 P C 0.798 178.073 177.300 -0.043 0.000 1.147 317 P CA 1.167 64.253 63.100 -0.025 0.000 0.790 317 P CB 0.489 32.216 31.700 0.045 0.000 0.780 318 E N -1.002 119.145 120.200 -0.088 0.000 2.693 318 E HA 0.100 1.497 4.350 -4.922 0.000 0.214 318 E C -0.359 176.174 176.600 -0.111 0.000 0.990 318 E CA -0.179 56.187 56.400 -0.057 0.000 1.047 318 E CB -0.008 29.705 29.700 0.021 0.000 1.039 318 E HN -0.117 nan 8.360 nan 0.000 0.475 319 K N 1.363 121.640 120.400 -0.205 0.000 3.077 319 K HA -0.191 1.176 4.320 -4.922 0.000 0.264 319 K C -0.406 176.067 176.600 -0.212 0.000 1.008 319 K CA 1.041 57.192 56.287 -0.228 0.000 0.740 319 K CB -1.018 31.399 32.500 -0.138 0.000 1.273 319 K HN 0.351 nan 8.250 nan 0.000 0.477 320 D N -1.514 118.725 120.400 -0.268 0.000 2.479 320 D HA -0.011 1.676 4.640 -4.922 0.000 0.221 320 D C 0.835 177.077 176.300 -0.097 0.000 1.104 320 D CA 0.443 54.375 54.000 -0.114 0.000 0.849 320 D CB 0.069 40.900 40.800 0.051 0.000 1.072 320 D HN 0.592 nan 8.370 nan 0.000 0.502 321 H N -1.218 117.681 119.070 -0.284 0.000 2.824 321 H HA 0.755 2.357 4.556 -4.922 0.000 0.345 321 H C -0.686 174.438 175.328 -0.341 0.000 1.252 321 H CA -0.978 54.916 56.048 -0.258 0.000 1.246 321 H CB 1.190 30.768 29.762 -0.306 0.000 1.908 321 H HN -0.177 nan 8.280 nan 0.000 0.601 322 V N -0.486 119.344 119.914 -0.140 0.000 3.184 322 V HA 0.324 1.491 4.120 -4.922 0.000 0.308 322 V C -1.164 174.780 176.094 -0.250 0.000 1.243 322 V CA -0.824 61.321 62.300 -0.259 0.000 1.058 322 V CB 1.530 33.287 31.823 -0.110 0.000 1.183 322 V HN 0.663 nan 8.190 nan 0.000 0.471 323 Y N 0.143 120.492 120.300 0.081 0.000 2.485 323 Y HA 0.678 2.276 4.550 -4.921 0.000 0.345 323 Y C -0.302 175.667 175.900 0.116 0.000 0.998 323 Y CA -0.813 57.347 58.100 0.101 0.000 1.059 323 Y CB 1.758 40.255 38.460 0.062 0.000 1.234 323 Y HN 0.354 nan 8.280 nan 0.000 0.461 324 L N 3.032 124.426 121.223 0.284 0.000 2.325 324 L HA 0.492 1.879 4.340 -4.922 0.000 0.281 324 L C -0.954 175.996 176.870 0.132 0.000 1.004 324 L CA -0.615 54.337 54.840 0.186 0.000 0.823 324 L CB 1.479 43.622 42.059 0.140 0.000 1.236 324 L HN 0.696 nan 8.230 nan 0.000 0.415 325 Q N 4.254 124.104 119.800 0.084 0.000 2.290 325 Q HA 0.426 1.813 4.340 -4.922 0.000 0.259 325 Q C -0.600 175.335 176.000 -0.107 0.000 0.941 325 Q CA -0.387 55.404 55.803 -0.021 0.000 0.912 325 Q CB 1.435 30.140 28.738 -0.056 0.000 1.244 325 Q HN 0.752 nan 8.270 nan 0.000 0.441 326 L N 3.318 124.483 121.223 -0.097 0.000 3.202 326 L HA 0.190 1.577 4.340 -4.922 0.000 0.278 326 L C 0.837 177.633 176.870 -0.123 0.000 1.268 326 L CA -0.180 54.596 54.840 -0.106 0.000 1.034 326 L CB 0.066 42.112 42.059 -0.021 0.000 1.407 326 L HN 0.785 nan 8.230 nan 0.000 0.581 327 H N 0.656 119.554 119.070 -0.287 0.000 2.395 327 H HA -0.107 1.496 4.556 -4.922 0.000 0.299 327 H C 2.099 177.356 175.328 -0.119 0.000 1.070 327 H CA 1.959 57.896 56.048 -0.185 0.000 1.356 327 H CB 0.332 29.995 29.762 -0.164 0.000 1.401 327 H HN 0.477 nan 8.280 nan 0.000 0.524 328 H N -1.392 117.745 119.070 0.112 0.000 2.551 328 H HA 0.134 1.737 4.556 -4.922 0.000 0.271 328 H C 0.082 175.425 175.328 0.025 0.000 0.984 328 H CA -0.458 55.627 56.048 0.060 0.000 1.164 328 H CB 0.233 30.049 29.762 0.091 0.000 1.437 328 H HN 0.163 nan 8.280 nan 0.000 0.550 329 L N 3.049 124.335 121.223 0.104 0.000 2.395 329 L HA 0.285 1.672 4.340 -4.922 0.000 0.269 329 L C -2.026 174.868 176.870 0.039 0.000 1.133 329 L CA -1.762 53.135 54.840 0.096 0.000 0.812 329 L CB 0.971 43.067 42.059 0.062 0.000 1.125 329 L HN 0.089 nan 8.230 nan 0.000 0.452 330 P HA 0.172 nan 4.420 nan 0.000 0.271 330 P C -2.054 175.250 177.300 0.006 0.000 1.220 330 P CA -1.056 62.055 63.100 0.019 0.000 0.768 330 P CB 0.158 31.874 31.700 0.026 0.000 0.848 331 P HA -0.118 nan 4.420 nan 0.000 0.223 331 P C 1.056 178.353 177.300 -0.006 0.000 1.151 331 P CA 1.235 64.328 63.100 -0.013 0.000 0.787 331 P CB 0.067 31.754 31.700 -0.022 0.000 0.788 332 E N -0.098 120.101 120.200 -0.003 0.000 2.106 332 E HA -0.201 1.196 4.350 -4.922 0.000 0.192 332 E C 1.992 178.591 176.600 -0.002 0.000 0.984 332 E CA 0.968 57.366 56.400 -0.003 0.000 0.806 332 E CB -0.467 29.232 29.700 -0.001 0.000 0.750 332 E HN 0.452 nan 8.360 nan 0.000 0.458 333 Q N 0.403 120.207 119.800 0.007 0.000 2.187 333 Q HA 0.001 1.388 4.340 -4.922 0.000 0.199 333 Q C 2.354 178.362 176.000 0.014 0.000 0.957 333 Q CA 0.258 56.068 55.803 0.012 0.000 0.857 333 Q CB 0.131 28.888 28.738 0.032 0.000 0.929 333 Q HN 0.211 nan 8.270 nan 0.000 0.453 334 L N 0.155 121.387 121.223 0.015 0.000 2.131 334 L HA -0.142 1.245 4.340 -4.922 0.000 0.210 334 L C 2.382 179.258 176.870 0.010 0.000 1.092 334 L CA 1.051 55.902 54.840 0.017 0.000 0.759 334 L CB -0.334 41.733 42.059 0.013 0.000 0.903 334 L HN 0.264 nan 8.230 nan 0.000 0.435 335 A N -0.973 121.847 122.820 0.001 0.000 1.968 335 A HA -0.085 1.282 4.320 -4.922 0.000 0.217 335 A C 2.167 179.744 177.584 -0.010 0.000 1.169 335 A CA 1.505 53.539 52.037 -0.005 0.000 0.638 335 A CB -0.382 18.613 19.000 -0.008 0.000 0.812 335 A HN 0.226 nan 8.150 nan 0.000 0.446 336 V N -0.734 119.170 119.914 -0.017 0.000 2.492 336 V HA -0.040 1.127 4.120 -4.922 0.000 0.241 336 V C 2.571 178.643 176.094 -0.037 0.000 1.041 336 V CA 1.285 63.563 62.300 -0.036 0.000 1.057 336 V CB -0.641 31.147 31.823 -0.058 0.000 0.711 336 V HN 0.362 nan 8.190 nan 0.000 0.468 337 R N 0.207 120.697 120.500 -0.018 0.000 2.066 337 R HA 0.255 1.642 4.340 -4.922 0.000 0.224 337 R C 0.678 177.010 176.300 0.053 0.000 1.122 337 R CA 0.833 56.942 56.100 0.014 0.000 0.974 337 R CB -0.267 30.067 30.300 0.056 0.000 0.871 337 R HN 0.370 nan 8.270 nan 0.000 0.435 338 L N 2.276 123.528 121.223 0.047 0.000 2.488 338 L HA 0.304 1.691 4.340 -4.922 0.000 0.250 338 L C -1.940 174.950 176.870 0.033 0.000 1.280 338 L CA -1.232 53.640 54.840 0.054 0.000 0.929 338 L CB 2.248 44.348 42.059 0.067 0.000 1.200 338 L HN -0.067 nan 8.230 nan 0.000 0.495 339 P HA 0.072 nan 4.420 nan 0.000 0.238 339 P C 1.398 178.704 177.300 0.009 0.000 1.183 339 P CA 0.413 63.519 63.100 0.010 0.000 0.813 339 P CB 0.664 32.362 31.700 -0.003 0.000 0.944 340 G N 1.560 110.366 108.800 0.010 0.000 2.421 340 G HA2 -0.167 0.840 3.960 -4.922 0.000 0.217 340 G HA3 -0.167 0.840 3.960 -4.922 0.000 0.217 340 G C 1.454 176.369 174.900 0.026 0.000 1.143 340 G CA 0.684 45.788 45.100 0.006 0.000 0.784 340 G HN 0.390 nan 8.290 nan 0.000 0.541 341 I N -1.553 119.038 120.570 0.035 0.000 2.617 341 I HA 0.106 1.323 4.170 -4.922 0.000 0.256 341 I C 2.474 178.621 176.117 0.049 0.000 1.167 341 I CA 1.069 62.396 61.300 0.044 0.000 1.469 341 I CB -0.146 37.882 38.000 0.046 0.000 1.098 341 I HN -0.088 nan 8.210 nan 0.000 0.436 342 S N 0.948 116.670 115.700 0.038 0.000 2.382 342 S HA -0.146 1.371 4.470 -4.922 0.000 0.228 342 S C 1.908 176.530 174.600 0.037 0.000 1.027 342 S CA 1.592 59.812 58.200 0.033 0.000 0.991 342 S CB -0.301 62.911 63.200 0.021 0.000 0.823 342 S HN 0.579 nan 8.310 nan 0.000 0.469 343 E N 0.502 120.725 120.200 0.038 0.000 2.033 343 E HA -0.081 1.316 4.350 -4.922 0.000 0.189 343 E C 2.405 179.055 176.600 0.082 0.000 0.979 343 E CA 1.518 57.943 56.400 0.042 0.000 0.802 343 E CB -0.224 29.494 29.700 0.029 0.000 0.763 343 E HN 0.659 nan 8.360 nan 0.000 0.449 344 T N -0.780 113.845 114.554 0.118 0.000 2.962 344 T HA 0.050 1.447 4.350 -4.922 0.000 0.270 344 T C 1.921 176.768 174.700 0.245 0.000 1.088 344 T CA 0.825 63.065 62.100 0.234 0.000 1.127 344 T CB 0.028 69.006 68.868 0.183 0.000 0.883 344 T HN 0.103 nan 8.240 nan 0.000 0.493 345 A N 1.235 124.139 122.820 0.140 0.000 1.970 345 A HA 0.258 1.625 4.320 -4.922 0.000 0.216 345 A C 2.253 179.906 177.584 0.115 0.000 1.170 345 A CA 1.416 53.527 52.037 0.124 0.000 0.645 345 A CB -0.582 18.470 19.000 0.086 0.000 0.816 345 A HN 0.468 nan 8.150 nan 0.000 0.447 346 M N -0.038 119.613 119.600 0.086 0.000 2.156 346 M HA 0.100 1.627 4.480 -4.922 0.000 0.264 346 M C 1.686 178.003 176.300 0.029 0.000 1.067 346 M CA 1.535 56.866 55.300 0.051 0.000 1.131 346 M CB -0.561 32.056 32.600 0.030 0.000 1.368 346 M HN 0.335 nan 8.290 nan 0.000 0.416 347 I N -1.121 119.460 120.570 0.019 0.000 2.286 347 I HA -0.206 1.011 4.170 -4.922 0.000 0.245 347 I C 1.357 177.342 176.117 -0.220 0.000 1.104 347 I CA 1.188 62.412 61.300 -0.126 0.000 1.397 347 I CB -0.312 37.568 38.000 -0.201 0.000 1.072 347 I HN 0.151 nan 8.210 nan 0.000 0.417 348 F N -0.231 119.725 119.950 0.010 0.000 2.754 348 F HA 0.220 1.794 4.527 -4.921 0.000 0.297 348 F C 1.910 177.720 175.800 0.016 0.000 1.122 348 F CA 0.609 58.614 58.000 0.008 0.000 1.400 348 F CB 0.128 39.128 39.000 0.001 0.000 1.117 348 F HN -0.026 nan 8.300 nan 0.000 0.587 349 A N -1.125 121.792 122.820 0.161 0.000 1.937 349 A HA 0.539 1.906 4.320 -4.922 0.000 0.198 349 A C 1.499 179.133 177.584 0.082 0.000 1.635 349 A CA 0.538 52.648 52.037 0.122 0.000 1.111 349 A CB -0.222 18.855 19.000 0.129 0.000 1.165 349 A HN 0.373 nan 8.150 nan 0.000 0.460 350 G N -0.349 108.490 108.800 0.064 0.000 2.356 350 G HA2 -0.007 1.000 3.960 -4.922 0.000 0.233 350 G HA3 -0.007 1.000 3.960 -4.922 0.000 0.233 350 G C -0.333 174.598 174.900 0.051 0.000 1.105 350 G CA 0.005 45.131 45.100 0.044 0.000 0.861 350 G HN 1.069 nan 8.290 nan 0.000 0.493 351 V N 1.050 120.999 119.914 0.059 0.000 2.378 351 V HA 0.335 1.502 4.120 -4.922 0.000 0.288 351 V C 0.021 176.142 176.094 0.045 0.000 1.016 351 V CA -1.149 61.186 62.300 0.059 0.000 0.840 351 V CB 1.717 33.586 31.823 0.078 0.000 0.994 351 V HN 0.365 nan 8.190 nan 0.000 0.431 352 D N 3.615 124.035 120.400 0.034 0.000 2.346 352 D HA 0.039 1.726 4.640 -4.922 0.000 0.260 352 D C 1.301 177.615 176.300 0.023 0.000 1.252 352 D CA 0.138 54.152 54.000 0.023 0.000 0.895 352 D CB 2.077 42.886 40.800 0.015 0.000 1.097 352 D HN 0.522 nan 8.370 nan 0.000 0.489 353 V N 1.387 121.314 119.914 0.021 0.000 2.759 353 V HA -0.178 0.989 4.120 -4.922 0.000 0.256 353 V C 2.049 178.143 176.094 -0.001 0.000 1.080 353 V CA 1.743 64.055 62.300 0.020 0.000 1.101 353 V CB -0.533 31.305 31.823 0.025 0.000 0.698 353 V HN 0.505 nan 8.190 nan 0.000 0.477 354 T N -0.648 113.898 114.554 -0.014 0.000 2.894 354 T HA -0.045 1.352 4.350 -4.922 0.000 0.258 354 T C 1.887 176.535 174.700 -0.087 0.000 1.043 354 T CA 1.803 63.876 62.100 -0.046 0.000 1.141 354 T CB -0.058 68.786 68.868 -0.041 0.000 0.873 354 T HN 0.607 nan 8.240 nan 0.000 0.449 355 K N -0.234 120.140 120.400 -0.043 0.000 2.262 355 K HA 0.203 1.570 4.320 -4.922 0.000 0.200 355 K C 0.445 177.117 176.600 0.120 0.000 1.058 355 K CA 0.332 56.607 56.287 -0.021 0.000 0.974 355 K CB 0.459 32.961 32.500 0.004 0.000 0.910 355 K HN 0.282 nan 8.250 nan 0.000 0.484 356 E N 1.287 121.527 120.200 0.067 0.000 2.222 356 E HA 0.292 1.689 4.350 -4.922 0.000 0.272 356 E C -2.592 174.026 176.600 0.030 0.000 0.982 356 E CA -2.466 53.964 56.400 0.051 0.000 0.842 356 E CB 1.347 31.066 29.700 0.031 0.000 1.144 356 E HN -0.053 nan 8.360 nan 0.000 0.397 357 P HA 0.253 nan 4.420 nan 0.000 0.281 357 P C -0.306 177.050 177.300 0.094 0.000 1.249 357 P CA -0.511 62.586 63.100 -0.006 0.000 0.810 357 P CB 0.625 32.243 31.700 -0.137 0.000 1.008 358 I N 2.098 122.754 120.570 0.144 0.000 2.371 358 I HA 0.235 1.452 4.170 -4.922 0.000 0.290 358 I C -2.329 173.954 176.117 0.277 0.000 1.028 358 I CA -2.950 58.455 61.300 0.175 0.000 1.345 358 I CB 0.304 38.377 38.000 0.122 0.000 1.407 358 I HN 0.085 nan 8.210 nan 0.000 0.501 359 P HA 0.150 nan 4.420 nan 0.000 0.276 359 P C -0.310 177.021 177.300 0.052 0.000 1.264 359 P CA -0.042 63.148 63.100 0.150 0.000 0.769 359 P CB 0.732 32.404 31.700 -0.047 0.000 0.840 360 V N 2.609 122.576 119.914 0.089 0.000 2.769 360 V HA 0.808 1.975 4.120 -4.922 0.000 0.312 360 V C -0.821 175.342 176.094 0.115 0.000 1.058 360 V CA -1.209 61.150 62.300 0.098 0.000 0.952 360 V CB 2.058 33.956 31.823 0.124 0.000 1.019 360 V HN 0.292 nan 8.190 nan 0.000 0.445 361 L N 3.563 124.863 121.223 0.128 0.000 2.505 361 L HA 0.764 2.151 4.340 -4.922 0.000 0.266 361 L C -2.962 173.995 176.870 0.146 0.000 0.954 361 L CA -1.536 53.395 54.840 0.153 0.000 0.852 361 L CB 2.577 44.764 42.059 0.213 0.000 1.282 361 L HN 0.528 nan 8.230 nan 0.000 0.403 362 P HA 0.322 nan 4.420 nan 0.000 0.270 362 P C -1.166 176.291 177.300 0.263 0.000 1.242 362 P CA 0.063 63.271 63.100 0.181 0.000 0.768 362 P CB 0.591 32.365 31.700 0.123 0.000 0.820 363 T N -0.813 113.894 114.554 0.256 0.000 2.865 363 T HA 0.402 1.799 4.350 -4.922 0.000 0.294 363 T C -0.187 174.474 174.700 -0.065 0.000 1.119 363 T CA -0.939 61.284 62.100 0.205 0.000 1.007 363 T CB 0.366 69.277 68.868 0.073 0.000 1.225 363 T HN -0.056 nan 8.240 nan 0.000 0.515 364 V N 2.103 121.752 119.914 -0.442 0.000 2.644 364 V HA 0.129 1.296 4.120 -4.922 0.000 0.305 364 V C 1.054 176.961 176.094 -0.312 0.000 1.053 364 V CA 0.989 62.842 62.300 -0.745 0.000 1.186 364 V CB -0.057 31.258 31.823 -0.847 0.000 0.895 364 V HN 1.174 nan 8.190 nan 0.000 0.490 365 H N 3.650 122.513 119.070 -0.345 0.000 1.955 365 H HA 0.295 1.898 4.556 -4.923 0.000 0.196 365 H C -0.401 174.880 175.328 -0.077 0.000 0.891 365 H CA -0.009 55.958 56.048 -0.135 0.000 1.001 365 H CB 0.566 30.341 29.762 0.023 0.000 1.195 365 H HN 0.551 nan 8.280 nan 0.000 0.384 366 Y N 1.356 121.602 120.300 -0.090 0.000 2.409 366 Y HA 0.396 1.992 4.550 -4.924 0.000 0.343 366 Y C -1.279 174.498 175.900 -0.205 0.000 0.973 366 Y CA -1.099 56.918 58.100 -0.138 0.000 1.064 366 Y CB 1.340 39.800 38.460 -0.001 0.000 1.207 366 Y HN 0.182 nan 8.280 nan 0.000 0.452 367 N N 6.717 124.911 118.700 -0.844 0.000 2.462 367 N HA 0.142 1.929 4.740 -4.922 0.000 0.242 367 N C 0.714 175.867 175.510 -0.594 0.000 1.010 367 N CA -0.403 52.252 53.050 -0.658 0.000 0.939 367 N CB 0.784 38.802 38.487 -0.782 0.000 1.127 367 N HN 0.648 nan 8.380 nan 0.000 0.509 368 M N 0.329 119.872 119.600 -0.095 0.000 2.086 368 M HA -0.013 1.514 4.480 -4.922 0.000 0.261 368 M C 1.494 177.852 176.300 0.096 0.000 1.067 368 M CA 0.935 56.328 55.300 0.154 0.000 1.116 368 M CB -1.353 31.384 32.600 0.228 0.000 1.348 368 M HN 0.498 nan 8.290 nan 0.000 0.407 369 G N -0.936 107.930 108.800 0.110 0.000 2.525 369 G HA2 0.450 1.457 3.960 -4.922 0.000 0.276 369 G HA3 0.450 1.457 3.960 -4.922 0.000 0.276 369 G C 0.435 175.375 174.900 0.067 0.000 1.388 369 G CA 0.195 45.359 45.100 0.107 0.000 1.050 369 G HN 0.634 nan 8.290 nan 0.000 0.520 370 G N -1.635 107.191 108.800 0.044 0.000 2.384 370 G HA2 0.145 1.152 3.960 -4.922 0.000 0.113 370 G HA3 0.145 1.152 3.960 -4.922 0.000 0.113 370 G C -0.986 173.884 174.900 -0.051 0.000 1.224 370 G CA -0.363 44.742 45.100 0.009 0.000 1.126 370 G HN 0.852 nan 8.290 nan 0.000 0.461 371 I N 3.025 123.558 120.570 -0.062 0.000 2.297 371 I HA 0.357 1.574 4.170 -4.922 0.000 0.291 371 I C -2.256 173.804 176.117 -0.094 0.000 1.033 371 I CA -1.825 59.424 61.300 -0.084 0.000 1.253 371 I CB 1.760 39.716 38.000 -0.073 0.000 1.396 371 I HN 0.046 nan 8.210 nan 0.000 0.476 372 P HA -0.049 nan 4.420 nan 0.000 0.260 372 P C -0.272 176.970 177.300 -0.097 0.000 1.172 372 P CA 0.517 63.547 63.100 -0.116 0.000 0.760 372 P CB 0.485 32.122 31.700 -0.105 0.000 0.773 373 T N 2.302 116.800 114.554 -0.094 0.000 2.923 373 T HA 0.292 1.689 4.350 -4.922 0.000 0.311 373 T C -0.252 174.420 174.700 -0.046 0.000 1.183 373 T CA -0.759 61.294 62.100 -0.078 0.000 1.020 373 T CB 0.790 69.615 68.868 -0.072 0.000 1.165 373 T HN 0.197 nan 8.240 nan 0.000 0.482 374 N N 0.669 119.342 118.700 -0.045 0.000 2.326 374 N HA 0.162 1.949 4.740 -4.922 0.000 0.239 374 N C 0.979 176.522 175.510 0.054 0.000 1.301 374 N CA 0.116 53.150 53.050 -0.027 0.000 0.909 374 N CB 0.389 38.787 38.487 -0.148 0.000 1.156 374 N HN 0.770 nan 8.380 nan 0.000 0.462 375 Y N -0.318 120.031 120.300 0.083 0.000 2.352 375 Y HA 0.003 1.599 4.550 -4.923 0.000 0.292 375 Y C 1.445 177.360 175.900 0.025 0.000 1.136 375 Y CA 1.051 59.254 58.100 0.172 0.000 1.227 375 Y CB -0.099 38.391 38.460 0.049 0.000 0.991 375 Y HN 0.343 nan 8.280 nan 0.000 0.545 376 K N 0.203 120.155 120.400 -0.748 0.000 2.155 376 K HA 0.134 1.501 4.320 -4.922 0.000 0.203 376 K C 1.281 177.831 176.600 -0.083 0.000 1.052 376 K CA 1.012 56.970 56.287 -0.548 0.000 0.948 376 K CB -0.270 31.875 32.500 -0.592 0.000 0.728 376 K HN 0.640 nan 8.250 nan 0.000 0.448 377 G N 1.371 110.186 108.800 0.025 0.000 2.148 377 G HA2 -0.186 0.821 3.960 -4.922 0.000 0.157 377 G HA3 -0.186 0.821 3.960 -4.922 0.000 0.157 377 G C -0.580 174.399 174.900 0.132 0.000 1.012 377 G CA -0.539 44.667 45.100 0.176 0.000 0.677 377 G HN 0.236 nan 8.290 nan 0.000 0.506 378 Q N 0.415 120.157 119.800 -0.096 0.000 2.279 378 Q HA 0.559 1.946 4.340 -4.922 0.000 0.256 378 Q C 0.607 176.452 176.000 -0.258 0.000 0.937 378 Q CA -0.592 54.975 55.803 -0.393 0.000 0.933 378 Q CB 2.384 30.889 28.738 -0.388 0.000 1.189 378 Q HN 0.167 nan 8.270 nan 0.000 0.417 379 V N 4.444 124.185 119.914 -0.289 0.000 2.655 379 V HA 0.016 1.183 4.120 -4.922 0.000 0.300 379 V C 0.011 176.020 176.094 -0.143 0.000 1.044 379 V CA 0.273 62.468 62.300 -0.174 0.000 1.095 379 V CB 0.125 31.856 31.823 -0.153 0.000 0.952 379 V HN 0.583 nan 8.190 nan 0.000 0.485 380 L N 6.390 127.558 121.223 -0.093 0.000 2.322 380 L HA 0.628 2.015 4.340 -4.922 0.000 0.281 380 L C 0.288 177.146 176.870 -0.020 0.000 1.014 380 L CA -0.553 54.257 54.840 -0.051 0.000 0.815 380 L CB 1.560 43.606 42.059 -0.021 0.000 1.247 380 L HN 0.730 nan 8.230 nan 0.000 0.421 381 R N 0.158 120.661 120.500 0.006 0.000 2.598 381 R HA 0.446 1.833 4.340 -4.922 0.000 0.279 381 R C -0.716 175.659 176.300 0.126 0.000 0.984 381 R CA -0.835 55.301 56.100 0.061 0.000 0.999 381 R CB 1.122 31.452 30.300 0.050 0.000 1.114 381 R HN 0.491 nan 8.270 nan 0.000 0.493 382 H N 1.821 120.943 119.070 0.086 0.000 2.746 382 H HA 0.326 1.933 4.556 -4.916 0.000 0.269 382 H C -1.270 174.107 175.328 0.082 0.000 1.248 382 H CA -0.399 55.706 56.048 0.096 0.000 1.258 382 H CB 0.539 30.389 29.762 0.147 0.000 1.441 382 H HN 0.371 nan 8.280 nan 0.000 0.508 383 V N 5.708 125.509 119.914 -0.189 0.000 2.398 383 V HA 0.132 1.299 4.120 -4.922 0.000 0.286 383 V C 0.829 176.774 176.094 -0.248 0.000 1.026 383 V CA -0.784 61.416 62.300 -0.165 0.000 0.868 383 V CB 1.269 33.044 31.823 -0.081 0.000 0.982 383 V HN 1.121 nan 8.190 nan 0.000 0.443 384 N N 3.675 122.258 118.700 -0.195 0.000 2.740 384 N HA -0.216 1.571 4.740 -4.922 0.000 0.248 384 N C 1.024 176.419 175.510 -0.193 0.000 1.062 384 N CA 0.624 53.584 53.050 -0.149 0.000 0.704 384 N CB -0.624 37.804 38.487 -0.099 0.000 0.968 384 N HN 1.501 nan 8.380 nan 0.000 0.547 385 G N -0.803 107.809 108.800 -0.314 0.000 2.187 385 G HA2 -0.340 0.667 3.960 -4.922 0.000 0.261 385 G HA3 -0.340 0.667 3.960 -4.922 0.000 0.261 385 G C 0.061 174.822 174.900 -0.231 0.000 1.000 385 G CA 1.391 46.358 45.100 -0.223 0.000 0.718 385 G HN 0.678 nan 8.290 nan 0.000 0.519 386 Q N -1.121 118.461 119.800 -0.364 0.000 3.156 386 Q HA 0.636 2.023 4.340 -4.922 0.000 0.301 386 Q C -1.145 174.790 176.000 -0.108 0.000 1.026 386 Q CA -0.963 54.752 55.803 -0.147 0.000 0.827 386 Q CB 1.024 29.703 28.738 -0.099 0.000 1.490 386 Q HN 0.171 nan 8.270 nan 0.000 0.492 387 D N 0.738 121.134 120.400 -0.007 0.000 2.340 387 D HA 0.356 2.043 4.640 -4.922 0.000 0.240 387 D C -1.346 174.951 176.300 -0.005 0.000 1.001 387 D CA -0.348 53.674 54.000 0.037 0.000 0.888 387 D CB 1.684 42.525 40.800 0.069 0.000 1.310 387 D HN 0.213 nan 8.370 nan 0.000 0.474 388 Q N 0.820 120.617 119.800 -0.005 0.000 2.271 388 Q HA 0.388 1.775 4.340 -4.922 0.000 0.268 388 Q C -1.559 174.416 176.000 -0.041 0.000 1.021 388 Q CA -0.749 55.039 55.803 -0.026 0.000 0.802 388 Q CB 2.152 30.872 28.738 -0.030 0.000 1.282 388 Q HN 0.211 nan 8.270 nan 0.000 0.431 389 V N 3.915 123.792 119.914 -0.061 0.000 2.446 389 V HA 0.082 1.249 4.120 -4.922 0.000 0.276 389 V C 0.120 176.149 176.094 -0.108 0.000 1.030 389 V CA -0.175 62.064 62.300 -0.102 0.000 1.033 389 V CB 0.974 32.726 31.823 -0.118 0.000 0.993 389 V HN 0.558 nan 8.190 nan 0.000 0.477 390 V N 9.092 128.928 119.914 -0.129 0.000 2.479 390 V HA 0.146 1.313 4.120 -4.922 0.000 0.281 390 V C -1.965 174.038 176.094 -0.153 0.000 1.031 390 V CA -1.342 60.887 62.300 -0.118 0.000 1.038 390 V CB 0.760 32.518 31.823 -0.109 0.000 0.981 390 V HN 0.782 nan 8.190 nan 0.000 0.478 391 P HA 0.249 nan 4.420 nan 0.000 0.271 391 P C 0.884 178.140 177.300 -0.073 0.000 1.226 391 P CA 0.820 63.869 63.100 -0.085 0.000 0.765 391 P CB 0.718 32.391 31.700 -0.044 0.000 0.835 392 G N 1.964 110.729 108.800 -0.059 0.000 2.153 392 G HA2 -0.236 0.771 3.960 -4.922 0.000 0.252 392 G HA3 -0.236 0.771 3.960 -4.922 0.000 0.252 392 G C -0.397 174.512 174.900 0.015 0.000 0.994 392 G CA -0.116 45.002 45.100 0.031 0.000 0.698 392 G HN 0.564 nan 8.290 nan 0.000 0.521 393 L N 0.205 121.340 121.223 -0.148 0.000 2.349 393 L HA 0.862 2.249 4.340 -4.922 0.000 0.278 393 L C -0.811 175.871 176.870 -0.314 0.000 0.996 393 L CA -1.901 52.861 54.840 -0.129 0.000 0.825 393 L CB 1.118 43.105 42.059 -0.120 0.000 1.243 393 L HN 0.119 nan 8.230 nan 0.000 0.412 394 Y N 3.085 123.339 120.300 -0.076 0.000 2.570 394 Y HA 0.888 2.485 4.550 -4.921 0.000 0.345 394 Y C -0.042 175.819 175.900 -0.065 0.000 1.014 394 Y CA -0.583 57.474 58.100 -0.073 0.000 1.063 394 Y CB 2.403 40.811 38.460 -0.085 0.000 1.272 394 Y HN 0.706 nan 8.280 nan 0.000 0.477 395 A N 0.884 123.768 122.820 0.107 0.000 2.547 395 A HA 0.834 2.201 4.320 -4.922 0.000 0.297 395 A C -1.391 176.228 177.584 0.059 0.000 1.056 395 A CA -0.672 51.391 52.037 0.045 0.000 0.688 395 A CB 0.510 19.504 19.000 -0.010 0.000 1.282 395 A HN 1.097 nan 8.150 nan 0.000 0.400 396 C N 0.007 119.339 119.300 0.053 0.000 3.082 396 C HA 1.035 2.542 4.460 -4.922 0.000 0.324 396 C C 0.669 175.706 174.990 0.079 0.000 1.210 396 C CA 0.022 59.092 59.018 0.086 0.000 1.366 396 C CB 0.913 28.734 27.740 0.136 0.000 1.756 396 C HN 3.006 nan 8.230 nan 0.000 0.485 397 G N 1.420 110.285 108.800 0.108 0.000 2.482 397 G HA2 -0.135 0.872 3.960 -4.922 0.000 0.214 397 G HA3 -0.135 0.872 3.960 -4.922 0.000 0.214 397 G C 0.369 175.341 174.900 0.121 0.000 1.271 397 G CA 0.600 45.780 45.100 0.133 0.000 0.944 397 G HN 1.181 nan 8.290 nan 0.000 0.568 398 E N 0.201 120.457 120.200 0.092 0.000 2.208 398 E HA 0.145 1.542 4.350 -4.922 0.000 0.193 398 E C 2.773 179.330 176.600 -0.071 0.000 0.988 398 E CA 1.627 58.003 56.400 -0.040 0.000 0.828 398 E CB -0.340 29.259 29.700 -0.167 0.000 0.763 398 E HN 0.912 nan 8.360 nan 0.000 0.478 399 A N 1.239 124.047 122.820 -0.019 0.000 1.902 399 A HA 0.021 1.388 4.320 -4.922 0.000 0.217 399 A C 1.444 179.019 177.584 -0.016 0.000 1.181 399 A CA 1.307 53.336 52.037 -0.013 0.000 0.623 399 A CB -0.498 18.494 19.000 -0.014 0.000 0.818 399 A HN 0.359 nan 8.150 nan 0.000 0.443 400 A N -2.024 120.788 122.820 -0.013 0.000 2.246 400 A HA 0.484 1.851 4.320 -4.922 0.000 0.291 400 A C 0.034 177.595 177.584 -0.038 0.000 1.103 400 A CA 0.277 52.294 52.037 -0.035 0.000 0.844 400 A CB 0.331 19.305 19.000 -0.043 0.000 1.136 400 A HN 0.951 nan 8.150 nan 0.000 0.500 401 C N 0.289 119.544 119.300 -0.074 0.000 3.123 401 C HA 0.594 2.101 4.460 -4.922 0.000 0.284 401 C C 1.181 176.080 174.990 -0.151 0.000 1.076 401 C CA -0.079 58.887 59.018 -0.088 0.000 1.416 401 C CB -0.510 27.181 27.740 -0.081 0.000 1.841 401 C HN 1.044 nan 8.230 nan 0.000 0.501 402 A N 2.368 125.068 122.820 -0.200 0.000 2.167 402 A HA 0.225 1.592 4.320 -4.922 0.000 0.214 402 A C 1.432 178.926 177.584 -0.150 0.000 1.151 402 A CA 1.265 53.177 52.037 -0.208 0.000 0.735 402 A CB -0.310 18.452 19.000 -0.397 0.000 0.802 402 A HN 1.862 nan 8.150 nan 0.000 0.467 403 S N -1.790 113.827 115.700 -0.139 0.000 3.608 403 S HA -0.142 1.375 4.470 -4.922 0.000 0.382 403 S C 0.710 175.268 174.600 -0.069 0.000 0.945 403 S CA 0.536 58.694 58.200 -0.070 0.000 1.256 403 S CB -1.676 61.479 63.200 -0.075 0.000 0.913 403 S HN 1.109 nan 8.310 nan 0.000 0.518 404 V N 2.193 121.994 119.914 -0.188 0.000 3.306 404 V HA 0.041 1.208 4.120 -4.922 0.000 0.264 404 V C 1.721 177.590 176.094 -0.374 0.000 1.149 404 V CA 1.653 63.799 62.300 -0.256 0.000 1.143 404 V CB -0.205 31.435 31.823 -0.304 0.000 0.767 404 V HN 0.851 nan 8.190 nan 0.000 0.476 405 H N -0.710 118.338 119.070 -0.037 0.000 2.604 405 H HA 0.369 1.970 4.556 -4.924 0.000 0.273 405 H C 1.630 176.910 175.328 -0.080 0.000 0.971 405 H CA 0.754 56.769 56.048 -0.056 0.000 1.249 405 H CB 0.593 30.350 29.762 -0.008 0.000 1.449 405 H HN 0.483 nan 8.280 nan 0.000 0.512 406 G N 1.264 110.076 108.800 0.020 0.000 2.565 406 G HA2 -0.405 0.602 3.960 -4.922 0.000 0.295 406 G HA3 -0.405 0.602 3.960 -4.922 0.000 0.295 406 G C 1.334 176.103 174.900 -0.219 0.000 1.165 406 G CA 1.389 46.444 45.100 -0.075 0.000 0.977 406 G HN 0.569 nan 8.290 nan 0.000 0.546 407 A N -0.009 122.658 122.820 -0.255 0.000 2.030 407 A HA 0.396 1.763 4.320 -4.922 0.000 0.215 407 A C 1.093 178.695 177.584 0.031 0.000 1.164 407 A CA 1.808 53.659 52.037 -0.310 0.000 0.697 407 A CB -0.074 18.863 19.000 -0.104 0.000 0.827 407 A HN 1.143 nan 8.150 nan 0.000 0.457 408 N N -0.075 118.637 118.700 0.020 0.000 2.500 408 N HA 0.170 1.957 4.740 -4.922 0.000 0.291 408 N C -1.074 174.445 175.510 0.015 0.000 1.092 408 N CA -0.503 52.575 53.050 0.048 0.000 0.890 408 N CB 1.345 39.856 38.487 0.040 0.000 1.466 408 N HN 0.327 nan 8.380 nan 0.000 0.507 409 R N 3.642 124.144 120.500 0.002 0.000 2.442 409 R HA 0.145 1.532 4.340 -4.922 0.000 0.291 409 R C -0.411 175.852 176.300 -0.063 0.000 1.069 409 R CA -0.331 55.730 56.100 -0.065 0.000 1.022 409 R CB 0.525 30.529 30.300 -0.492 0.000 0.976 409 R HN 0.442 nan 8.270 nan 0.000 0.443 410 L N 3.816 125.040 121.223 0.001 0.000 2.426 410 L HA 0.258 1.645 4.340 -4.922 0.000 0.271 410 L C 0.500 177.386 176.870 0.027 0.000 1.169 410 L CA 0.716 55.552 54.840 -0.007 0.000 0.836 410 L CB 1.107 43.169 42.059 0.005 0.000 1.112 410 L HN 0.837 nan 8.230 nan 0.000 0.465 411 G N 3.773 112.624 108.800 0.085 0.000 2.272 411 G HA2 0.396 1.403 3.960 -4.922 0.000 0.247 411 G HA3 0.396 1.403 3.960 -4.922 0.000 0.247 411 G C 0.667 175.673 174.900 0.176 0.000 1.272 411 G CA 0.236 45.498 45.100 0.271 0.000 0.921 411 G HN 1.664 nan 8.290 nan 0.000 0.495 412 A N 2.185 125.029 122.820 0.039 0.000 2.945 412 A HA -0.185 1.182 4.320 -4.922 0.000 0.251 412 A C 1.653 179.206 177.584 -0.052 0.000 1.355 412 A CA 1.205 53.126 52.037 -0.194 0.000 0.905 412 A CB -1.805 16.745 19.000 -0.750 0.000 1.104 412 A HN 0.642 nan 8.150 nan 0.000 0.733 413 N N -0.620 118.103 118.700 0.039 0.000 2.405 413 N HA 0.078 1.865 4.740 -4.922 0.000 0.175 413 N C 1.749 177.378 175.510 0.197 0.000 1.051 413 N CA 1.195 54.331 53.050 0.142 0.000 0.899 413 N CB 0.037 38.642 38.487 0.197 0.000 1.000 413 N HN 0.609 nan 8.380 nan 0.000 0.451 414 S N 0.246 115.997 115.700 0.084 0.000 2.383 414 S HA 0.103 1.620 4.470 -4.922 0.000 0.227 414 S C 1.794 176.494 174.600 0.167 0.000 1.026 414 S CA 0.619 58.880 58.200 0.102 0.000 0.981 414 S CB -0.098 63.061 63.200 -0.069 0.000 0.818 414 S HN 0.223 nan 8.310 nan 0.000 0.472 415 L N 0.755 122.050 121.223 0.120 0.000 2.141 415 L HA -0.050 1.337 4.340 -4.922 0.000 0.209 415 L C 2.391 179.344 176.870 0.140 0.000 1.094 415 L CA 0.681 55.593 54.840 0.121 0.000 0.763 415 L CB -0.452 41.659 42.059 0.087 0.000 0.908 415 L HN 0.354 nan 8.230 nan 0.000 0.437 416 L N 0.410 121.717 121.223 0.139 0.000 2.005 416 L HA -0.235 1.152 4.340 -4.922 0.000 0.207 416 L C 2.149 179.141 176.870 0.203 0.000 1.072 416 L CA 2.037 56.966 54.840 0.147 0.000 0.744 416 L CB -0.642 41.503 42.059 0.143 0.000 0.895 416 L HN 0.211 nan 8.230 nan 0.000 0.433 417 D N -0.765 119.796 120.400 0.268 0.000 2.149 417 D HA -0.247 1.440 4.640 -4.922 0.000 0.194 417 D C 2.083 178.599 176.300 0.361 0.000 1.001 417 D CA 1.564 55.793 54.000 0.382 0.000 0.849 417 D CB -0.109 40.932 40.800 0.402 0.000 0.939 417 D HN 0.262 nan 8.370 nan 0.000 0.449 418 L N -0.171 121.206 121.223 0.257 0.000 1.970 418 L HA -0.139 1.247 4.340 -4.922 0.000 0.212 418 L C 2.727 179.708 176.870 0.185 0.000 1.071 418 L CA 1.117 56.081 54.840 0.207 0.000 0.751 418 L CB -0.963 41.195 42.059 0.165 0.000 0.889 418 L HN 0.036 nan 8.230 nan 0.000 0.432 419 V N -1.437 118.575 119.914 0.163 0.000 2.244 419 V HA -0.261 0.906 4.120 -4.922 0.000 0.244 419 V C 2.412 178.561 176.094 0.092 0.000 1.042 419 V CA 1.542 63.923 62.300 0.134 0.000 1.006 419 V CB -0.472 31.433 31.823 0.138 0.000 0.641 419 V HN 0.232 nan 8.190 nan 0.000 0.446 420 V N -0.643 119.312 119.914 0.069 0.000 2.255 420 V HA -0.278 0.889 4.120 -4.922 0.000 0.247 420 V C 2.153 178.195 176.094 -0.088 0.000 1.051 420 V CA 2.426 64.679 62.300 -0.079 0.000 1.018 420 V CB -0.735 30.973 31.823 -0.191 0.000 0.641 420 V HN 0.477 nan 8.190 nan 0.000 0.445 421 F N 0.678 120.703 119.950 0.125 0.000 2.512 421 F HA 0.174 1.750 4.527 -4.919 0.000 0.296 421 F C 2.262 178.100 175.800 0.064 0.000 1.110 421 F CA 0.890 58.969 58.000 0.131 0.000 1.446 421 F CB -0.784 38.295 39.000 0.132 0.000 1.092 421 F HN 0.176 nan 8.300 nan 0.000 0.554 422 G N 0.122 109.032 108.800 0.184 0.000 2.404 422 G HA2 -0.250 0.757 3.960 -4.922 0.000 0.215 422 G HA3 -0.250 0.757 3.960 -4.922 0.000 0.215 422 G C 1.792 176.676 174.900 -0.027 0.000 1.174 422 G CA 0.587 45.725 45.100 0.064 0.000 0.780 422 G HN 0.231 nan 8.290 nan 0.000 0.537 423 R N 0.710 121.193 120.500 -0.029 0.000 2.091 423 R HA -0.014 1.373 4.340 -4.922 0.000 0.238 423 R C 2.775 179.032 176.300 -0.071 0.000 1.136 423 R CA 1.582 57.632 56.100 -0.085 0.000 0.959 423 R CB -0.442 29.825 30.300 -0.056 0.000 0.856 423 R HN 0.275 nan 8.270 nan 0.000 0.437 424 A N 0.621 123.436 122.820 -0.008 0.000 1.902 424 A HA -0.180 1.187 4.320 -4.922 0.000 0.217 424 A C 2.526 180.066 177.584 -0.073 0.000 1.181 424 A CA 1.569 53.610 52.037 0.006 0.000 0.623 424 A CB -1.016 18.014 19.000 0.050 0.000 0.818 424 A HN 0.599 nan 8.150 nan 0.000 0.443 425 C N -1.023 118.235 119.300 -0.070 0.000 2.413 425 C HA -0.026 1.481 4.460 -4.922 0.000 0.277 425 C C 3.311 178.041 174.990 -0.433 0.000 1.265 425 C CA 0.911 59.789 59.018 -0.232 0.000 1.752 425 C CB -1.378 26.264 27.740 -0.163 0.000 1.998 425 C HN 0.700 nan 8.230 nan 0.000 0.489 426 A N -0.034 122.593 122.820 -0.321 0.000 1.898 426 A HA -0.080 1.287 4.320 -4.922 0.000 0.216 426 A C 2.054 179.453 177.584 -0.309 0.000 1.181 426 A CA 1.415 53.236 52.037 -0.360 0.000 0.620 426 A CB -0.520 18.292 19.000 -0.313 0.000 0.819 426 A HN 0.594 nan 8.150 nan 0.000 0.442 427 L N -0.671 120.428 121.223 -0.207 0.000 2.093 427 L HA -0.114 1.273 4.340 -4.922 0.000 0.208 427 L C 2.805 179.590 176.870 -0.141 0.000 1.085 427 L CA 1.296 56.057 54.840 -0.133 0.000 0.755 427 L CB -0.284 41.734 42.059 -0.068 0.000 0.904 427 L HN 0.287 nan 8.230 nan 0.000 0.435 428 S N -0.118 115.470 115.700 -0.186 0.000 2.382 428 S HA -0.097 1.420 4.470 -4.922 0.000 0.228 428 S C 1.943 176.443 174.600 -0.166 0.000 1.027 428 S CA 1.211 59.330 58.200 -0.135 0.000 0.991 428 S CB -0.207 62.976 63.200 -0.029 0.000 0.823 428 S HN 0.285 nan 8.310 nan 0.000 0.469 429 I N 1.441 121.780 120.570 -0.386 0.000 2.286 429 I HA -0.133 1.084 4.170 -4.922 0.000 0.245 429 I C 2.628 178.593 176.117 -0.255 0.000 1.104 429 I CA 0.978 62.030 61.300 -0.413 0.000 1.397 429 I CB -0.437 37.126 38.000 -0.728 0.000 1.072 429 I HN 0.237 nan 8.210 nan 0.000 0.417 430 A N 0.404 123.100 122.820 -0.207 0.000 1.972 430 A HA -0.219 1.148 4.320 -4.922 0.000 0.219 430 A C 2.193 179.846 177.584 0.114 0.000 1.169 430 A CA 1.814 53.910 52.037 0.099 0.000 0.635 430 A CB -0.463 18.581 19.000 0.073 0.000 0.810 430 A HN 0.470 nan 8.150 nan 0.000 0.446 431 E N -0.369 119.847 120.200 0.027 0.000 2.140 431 E HA -0.072 1.325 4.350 -4.922 0.000 0.191 431 E C 2.356 178.978 176.600 0.037 0.000 0.973 431 E CA 0.920 57.337 56.400 0.029 0.000 0.829 431 E CB -0.018 29.683 29.700 0.002 0.000 0.781 431 E HN 0.767 nan 8.360 nan 0.000 0.466 432 S N 0.140 115.859 115.700 0.032 0.000 2.387 432 S HA -0.059 1.458 4.470 -4.922 0.000 0.226 432 S C 1.118 175.756 174.600 0.062 0.000 1.026 432 S CA 0.442 58.666 58.200 0.041 0.000 0.972 432 S CB -0.494 62.734 63.200 0.047 0.000 0.814 432 S HN 0.398 nan 8.310 nan 0.000 0.477 433 C N -0.020 119.341 119.300 0.102 0.000 3.173 433 C HA 0.827 2.334 4.460 -4.922 0.000 0.310 433 C C -0.583 174.548 174.990 0.235 0.000 1.306 433 C CA -1.313 57.786 59.018 0.135 0.000 1.426 433 C CB 1.441 29.259 27.740 0.129 0.000 1.800 433 C HN 0.287 nan 8.230 nan 0.000 0.470 434 R N 0.977 121.555 120.500 0.129 0.000 2.573 434 R HA 0.662 2.049 4.340 -4.922 0.000 0.272 434 R C -2.747 173.462 176.300 -0.152 0.000 1.009 434 R CA -1.813 54.281 56.100 -0.011 0.000 1.059 434 R CB 0.972 31.235 30.300 -0.062 0.000 1.112 434 R HN 0.559 nan 8.270 nan 0.000 0.517 435 P HA 0.134 nan 4.420 nan 0.000 0.271 435 P C 0.459 177.630 177.300 -0.216 0.000 1.216 435 P CA 0.371 63.126 63.100 -0.576 0.000 0.776 435 P CB 0.619 31.796 31.700 -0.871 0.000 0.881 436 G N 1.368 110.114 108.800 -0.089 0.000 2.176 436 G HA2 -0.174 0.833 3.960 -4.922 0.000 0.232 436 G HA3 -0.174 0.833 3.960 -4.922 0.000 0.232 436 G C -0.107 174.783 174.900 -0.016 0.000 0.986 436 G CA -0.419 44.652 45.100 -0.048 0.000 0.643 436 G HN 0.501 nan 8.290 nan 0.000 0.522 437 D N 1.079 121.483 120.400 0.007 0.000 2.424 437 D HA 0.262 1.949 4.640 -4.922 0.000 0.244 437 D C 0.845 177.165 176.300 0.034 0.000 1.134 437 D CA 0.168 54.184 54.000 0.027 0.000 0.881 437 D CB 0.905 41.737 40.800 0.054 0.000 1.191 437 D HN 0.376 nan 8.370 nan 0.000 0.445 438 K N 1.355 121.769 120.400 0.023 0.000 2.511 438 K HA 0.026 1.393 4.320 -4.922 0.000 0.280 438 K C -0.616 176.003 176.600 0.031 0.000 1.008 438 K CA -0.245 56.054 56.287 0.020 0.000 1.050 438 K CB 0.438 32.946 32.500 0.013 0.000 0.889 438 K HN 0.139 nan 8.250 nan 0.000 0.484 439 V N 7.287 127.219 119.914 0.031 0.000 2.470 439 V HA 0.130 1.297 4.120 -4.922 0.000 0.276 439 V C -2.016 174.095 176.094 0.029 0.000 1.040 439 V CA -1.690 60.633 62.300 0.038 0.000 1.008 439 V CB 0.610 32.458 31.823 0.042 0.000 0.990 439 V HN 0.796 nan 8.190 nan 0.000 0.477 440 P HA 0.165 nan 4.420 nan 0.000 0.271 440 P C 0.022 177.334 177.300 0.019 0.000 1.233 440 P CA 0.034 63.147 63.100 0.021 0.000 0.764 440 P CB 0.350 32.062 31.700 0.019 0.000 0.825 441 S N 3.408 119.117 115.700 0.015 0.000 2.576 441 S HA 0.408 1.925 4.470 -4.922 0.000 0.276 441 S C 0.067 174.675 174.600 0.012 0.000 1.339 441 S CA -0.557 57.652 58.200 0.014 0.000 1.039 441 S CB 0.478 63.683 63.200 0.010 0.000 0.902 441 S HN 0.337 nan 8.310 nan 0.000 0.516 442 I N 0.939 121.517 120.570 0.013 0.000 2.648 442 I HA 0.437 1.654 4.170 -4.922 0.000 0.304 442 I C -0.263 175.860 176.117 0.009 0.000 1.009 442 I CA -1.125 60.183 61.300 0.012 0.000 1.114 442 I CB 1.588 39.597 38.000 0.015 0.000 1.293 442 I HN 0.757 nan 8.210 nan 0.000 0.449 443 K N 6.324 126.728 120.400 0.008 0.000 2.440 443 K HA 0.102 1.469 4.320 -4.922 0.000 0.270 443 K C -1.837 174.768 176.600 0.007 0.000 0.980 443 K CA -0.601 55.690 56.287 0.006 0.000 0.953 443 K CB -0.262 32.241 32.500 0.005 0.000 0.925 443 K HN 0.403 nan 8.250 nan 0.000 0.497 444 P HA -0.112 nan 4.420 nan 0.000 0.218 444 P C -0.320 176.985 177.300 0.009 0.000 1.149 444 P CA 1.166 64.270 63.100 0.008 0.000 0.817 444 P CB 0.279 31.983 31.700 0.007 0.000 0.785 445 N N -0.185 118.520 118.700 0.008 0.000 2.839 445 N HA 0.332 2.119 4.740 -4.922 0.000 0.314 445 N C -0.441 175.073 175.510 0.007 0.000 1.449 445 N CA -0.080 52.975 53.050 0.009 0.000 1.050 445 N CB 0.442 38.934 38.487 0.008 0.000 1.364 445 N HN 0.028 nan 8.380 nan 0.000 0.512 446 A N -1.025 121.799 122.820 0.007 0.000 2.325 446 A HA 0.693 2.060 4.320 -4.922 0.000 0.333 446 A C 1.202 178.788 177.584 0.003 0.000 1.155 446 A CA -0.098 51.942 52.037 0.005 0.000 0.814 446 A CB 0.582 19.586 19.000 0.007 0.000 1.206 446 A HN 0.387 nan 8.150 nan 0.000 0.482 447 G N 0.844 109.644 108.800 0.000 0.000 2.203 447 G HA2 -0.296 0.711 3.960 -4.922 0.000 0.263 447 G HA3 -0.296 0.711 3.960 -4.922 0.000 0.263 447 G C 0.644 175.538 174.900 -0.010 0.000 1.012 447 G CA 1.003 46.100 45.100 -0.004 0.000 0.749 447 G HN 0.956 nan 8.290 nan 0.000 0.512 448 E N -0.458 119.739 120.200 -0.005 0.000 2.106 448 E HA -0.075 1.322 4.350 -4.922 0.000 0.192 448 E C 2.199 178.794 176.600 -0.009 0.000 0.984 448 E CA 1.083 57.480 56.400 -0.004 0.000 0.806 448 E CB -0.054 29.649 29.700 0.005 0.000 0.750 448 E HN 0.704 nan 8.360 nan 0.000 0.458 449 E N -0.244 119.952 120.200 -0.007 0.000 2.285 449 E HA -0.072 1.325 4.350 -4.922 0.000 0.194 449 E C 2.050 178.640 176.600 -0.017 0.000 0.997 449 E CA 0.541 56.937 56.400 -0.007 0.000 0.845 449 E CB 0.222 29.921 29.700 -0.001 0.000 0.782 449 E HN 0.154 nan 8.360 nan 0.000 0.491 450 S N 0.586 116.273 115.700 -0.022 0.000 2.368 450 S HA -0.114 1.403 4.470 -4.922 0.000 0.224 450 S C 2.227 176.788 174.600 -0.065 0.000 1.029 450 S CA 0.793 58.976 58.200 -0.029 0.000 0.988 450 S CB -0.159 63.029 63.200 -0.019 0.000 0.838 450 S HN 0.063 nan 8.310 nan 0.000 0.462 451 V N 2.124 121.983 119.914 -0.093 0.000 2.343 451 V HA -0.158 1.009 4.120 -4.922 0.000 0.247 451 V C 2.222 178.224 176.094 -0.153 0.000 1.051 451 V CA 1.649 63.834 62.300 -0.192 0.000 1.036 451 V CB -0.639 31.067 31.823 -0.195 0.000 0.654 451 V HN 0.475 nan 8.190 nan 0.000 0.451 452 M N -0.143 119.424 119.600 -0.055 0.000 2.254 452 M HA -0.141 1.386 4.480 -4.922 0.000 0.265 452 M C 2.188 178.485 176.300 -0.005 0.000 1.066 452 M CA 1.474 56.773 55.300 -0.001 0.000 1.123 452 M CB -0.623 31.986 32.600 0.015 0.000 1.388 452 M HN 0.455 nan 8.290 nan 0.000 0.425 453 N N 0.904 119.588 118.700 -0.026 0.000 2.223 453 N HA -0.161 1.626 4.740 -4.922 0.000 0.185 453 N C 1.775 177.260 175.510 -0.043 0.000 1.016 453 N CA 0.834 53.868 53.050 -0.027 0.000 0.863 453 N CB 0.184 38.657 38.487 -0.024 0.000 0.983 453 N HN 0.293 nan 8.380 nan 0.000 0.429 454 L N 1.446 122.624 121.223 -0.075 0.000 2.044 454 L HA -0.139 1.248 4.340 -4.922 0.000 0.205 454 L C 1.918 178.757 176.870 -0.052 0.000 1.075 454 L CA 1.904 56.681 54.840 -0.106 0.000 0.747 454 L CB -1.253 40.686 42.059 -0.199 0.000 0.903 454 L HN 0.132 nan 8.230 nan 0.000 0.435 455 D N -0.080 120.327 120.400 0.012 0.000 2.117 455 D HA -0.228 1.459 4.640 -4.922 0.000 0.198 455 D C 2.148 178.562 176.300 0.191 0.000 0.982 455 D CA 1.173 55.293 54.000 0.200 0.000 0.828 455 D CB 0.228 41.238 40.800 0.350 0.000 0.967 455 D HN 0.069 nan 8.370 nan 0.000 0.464 456 K N -0.545 119.922 120.400 0.112 0.000 2.097 456 K HA -0.035 1.332 4.320 -4.922 0.000 0.205 456 K C 1.946 178.579 176.600 0.056 0.000 1.050 456 K CA 0.561 56.904 56.287 0.092 0.000 0.938 456 K CB -0.331 32.194 32.500 0.042 0.000 0.718 456 K HN 0.100 nan 8.250 nan 0.000 0.442 457 L N 0.658 121.884 121.223 0.006 0.000 2.179 457 L HA 0.042 1.429 4.340 -4.922 0.000 0.208 457 L C 2.229 179.063 176.870 -0.059 0.000 1.096 457 L CA 1.328 56.150 54.840 -0.031 0.000 0.779 457 L CB -0.357 41.669 42.059 -0.056 0.000 0.922 457 L HN 0.115 nan 8.230 nan 0.000 0.443 458 R N -0.711 119.725 120.500 -0.107 0.000 2.092 458 R HA -0.103 1.284 4.340 -4.922 0.000 0.231 458 R C 0.894 176.974 176.300 -0.366 0.000 1.119 458 R CA 1.310 57.249 56.100 -0.269 0.000 0.970 458 R CB -0.265 29.809 30.300 -0.375 0.000 0.864 458 R HN 0.383 nan 8.270 nan 0.000 0.440 459 F N 0.758 120.710 119.950 0.002 0.000 2.837 459 F HA 0.374 1.948 4.527 -4.922 0.000 0.298 459 F C 0.474 176.252 175.800 -0.036 0.000 1.161 459 F CA -0.560 57.429 58.000 -0.018 0.000 1.353 459 F CB 0.536 39.528 39.000 -0.013 0.000 0.951 459 F HN -0.063 nan 8.300 nan 0.000 0.508 460 A N 0.971 123.834 122.820 0.071 0.000 2.444 460 A HA 0.109 1.476 4.320 -4.922 0.000 0.287 460 A C 0.165 177.748 177.584 -0.002 0.000 1.195 460 A CA -0.165 51.888 52.037 0.027 0.000 0.858 460 A CB -0.552 18.448 19.000 0.000 0.000 1.117 460 A HN 0.543 nan 8.150 nan 0.000 0.521 461 N N 2.623 121.319 118.700 -0.006 0.000 2.602 461 N HA 0.362 2.149 4.740 -4.922 0.000 0.238 461 N C 0.686 176.177 175.510 -0.031 0.000 1.084 461 N CA -0.130 52.900 53.050 -0.034 0.000 0.952 461 N CB 0.796 39.265 38.487 -0.031 0.000 1.244 461 N HN 0.777 nan 8.380 nan 0.000 0.512 462 G N -0.539 108.249 108.800 -0.020 0.000 3.122 462 G HA2 0.224 1.231 3.960 -4.922 0.000 0.180 462 G HA3 0.224 1.231 3.960 -4.922 0.000 0.180 462 G C 0.391 175.319 174.900 0.047 0.000 1.279 462 G CA -0.073 45.035 45.100 0.013 0.000 0.987 462 G HN 0.288 nan 8.290 nan 0.000 0.589 463 T N -1.687 112.924 114.554 0.096 0.000 3.073 463 T HA 0.313 1.710 4.350 -4.922 0.000 0.264 463 T C -0.172 174.584 174.700 0.093 0.000 0.893 463 T CA -0.051 62.107 62.100 0.097 0.000 0.863 463 T CB -0.027 68.911 68.868 0.116 0.000 1.247 463 T HN 0.243 nan 8.240 nan 0.000 0.546 464 I N 4.636 125.266 120.570 0.100 0.000 2.466 464 I HA 0.446 1.663 4.170 -4.922 0.000 0.279 464 I C 0.157 176.328 176.117 0.091 0.000 1.033 464 I CA -1.120 60.230 61.300 0.084 0.000 1.123 464 I CB 1.398 39.436 38.000 0.064 0.000 1.237 464 I HN 0.172 nan 8.210 nan 0.000 0.460 465 R N 3.171 123.737 120.500 0.110 0.000 2.734 465 R HA 0.212 1.599 4.340 -4.922 0.000 0.266 465 R C 0.398 176.744 176.300 0.076 0.000 1.044 465 R CA -0.256 55.919 56.100 0.125 0.000 1.128 465 R CB 0.161 30.563 30.300 0.171 0.000 1.010 465 R HN 0.509 nan 8.270 nan 0.000 0.461 466 T N 1.685 116.279 114.554 0.066 0.000 2.620 466 T HA -0.282 1.115 4.350 -4.922 0.000 0.267 466 T C 1.957 176.678 174.700 0.036 0.000 1.044 466 T CA 2.572 64.695 62.100 0.039 0.000 1.161 466 T CB -0.445 68.438 68.868 0.025 0.000 0.862 466 T HN 0.838 nan 8.240 nan 0.000 0.438 467 S N 1.797 117.516 115.700 0.031 0.000 2.370 467 S HA -0.198 1.319 4.470 -4.922 0.000 0.226 467 S C 1.895 176.520 174.600 0.042 0.000 1.033 467 S CA 1.392 59.611 58.200 0.031 0.000 1.011 467 S CB -0.524 62.682 63.200 0.010 0.000 0.852 467 S HN 0.631 nan 8.310 nan 0.000 0.457 468 E N 0.673 120.897 120.200 0.040 0.000 2.072 468 E HA -0.031 1.366 4.350 -4.922 0.000 0.191 468 E C 2.035 178.661 176.600 0.043 0.000 0.985 468 E CA 0.997 57.422 56.400 0.041 0.000 0.801 468 E CB -0.259 29.465 29.700 0.039 0.000 0.750 468 E HN 0.358 nan 8.360 nan 0.000 0.452 469 L N 1.290 122.539 121.223 0.043 0.000 2.109 469 L HA -0.093 1.294 4.340 -4.922 0.000 0.207 469 L C 2.258 179.156 176.870 0.046 0.000 1.086 469 L CA 1.533 56.397 54.840 0.039 0.000 0.760 469 L CB -0.330 41.748 42.059 0.032 0.000 0.910 469 L HN -0.063 nan 8.230 nan 0.000 0.437 470 R N -0.923 119.609 120.500 0.053 0.000 2.081 470 R HA -0.185 1.202 4.340 -4.922 0.000 0.235 470 R C 2.246 178.600 176.300 0.090 0.000 1.131 470 R CA 1.844 57.984 56.100 0.067 0.000 0.960 470 R CB -0.420 29.922 30.300 0.070 0.000 0.856 470 R HN 0.378 nan 8.270 nan 0.000 0.436 471 L N 0.565 121.844 121.223 0.095 0.000 2.093 471 L HA -0.065 1.322 4.340 -4.922 0.000 0.208 471 L C 2.019 178.936 176.870 0.078 0.000 1.085 471 L CA 1.675 56.584 54.840 0.116 0.000 0.755 471 L CB -0.260 41.859 42.059 0.100 0.000 0.904 471 L HN 0.044 nan 8.230 nan 0.000 0.435 472 S N -0.781 114.952 115.700 0.055 0.000 2.399 472 S HA -0.195 1.322 4.470 -4.922 0.000 0.231 472 S C 1.881 176.510 174.600 0.048 0.000 1.022 472 S CA 1.706 59.930 58.200 0.041 0.000 0.983 472 S CB -0.325 62.894 63.200 0.033 0.000 0.803 472 S HN 0.569 nan 8.310 nan 0.000 0.480 473 M N 1.125 120.759 119.600 0.056 0.000 2.123 473 M HA -0.115 1.412 4.480 -4.922 0.000 0.263 473 M C 2.165 178.497 176.300 0.054 0.000 1.069 473 M CA 1.368 56.697 55.300 0.049 0.000 1.133 473 M CB -0.257 32.372 32.600 0.049 0.000 1.356 473 M HN 0.244 nan 8.290 nan 0.000 0.415 474 Q N 0.391 120.250 119.800 0.098 0.000 2.002 474 Q HA -0.208 1.179 4.340 -4.922 0.000 0.204 474 Q C 2.034 178.146 176.000 0.187 0.000 0.988 474 Q CA 1.876 57.777 55.803 0.163 0.000 0.843 474 Q CB -0.173 28.729 28.738 0.273 0.000 0.908 474 Q HN 0.514 nan 8.270 nan 0.000 0.420 475 K N 0.008 120.484 120.400 0.126 0.000 2.211 475 K HA -0.050 1.317 4.320 -4.922 0.000 0.203 475 K C 2.272 178.923 176.600 0.085 0.000 1.050 475 K CA 0.811 57.116 56.287 0.030 0.000 0.945 475 K CB 0.017 32.430 32.500 -0.146 0.000 0.732 475 K HN 0.044 nan 8.250 nan 0.000 0.451 476 S N 0.922 116.690 115.700 0.114 0.000 2.348 476 S HA -0.078 1.439 4.470 -4.922 0.000 0.221 476 S C 1.876 176.639 174.600 0.271 0.000 1.033 476 S CA 1.083 59.415 58.200 0.220 0.000 1.010 476 S CB -0.030 63.233 63.200 0.105 0.000 0.891 476 S HN 0.219 nan 8.310 nan 0.000 0.442 477 M N 0.903 120.554 119.600 0.086 0.000 2.213 477 M HA -0.067 1.460 4.480 -4.922 0.000 0.263 477 M C 2.175 178.578 176.300 0.172 0.000 1.062 477 M CA 1.273 56.542 55.300 -0.050 0.000 1.105 477 M CB -1.223 31.068 32.600 -0.514 0.000 1.385 477 M HN 0.255 nan 8.290 nan 0.000 0.417 478 Q N 0.367 120.326 119.800 0.265 0.000 2.230 478 Q HA -0.061 1.326 4.340 -4.922 0.000 0.202 478 Q C 1.938 178.075 176.000 0.228 0.000 0.963 478 Q CA 1.818 57.848 55.803 0.377 0.000 0.866 478 Q CB 0.021 28.971 28.738 0.354 0.000 0.931 478 Q HN 0.592 nan 8.270 nan 0.000 0.452 479 S N -2.618 113.141 115.700 0.099 0.000 2.502 479 S HA 0.098 1.615 4.470 -4.922 0.000 0.215 479 S C 1.043 175.524 174.600 -0.198 0.000 1.009 479 S CA 0.160 58.312 58.200 -0.081 0.000 0.908 479 S CB -0.087 62.987 63.200 -0.209 0.000 0.801 479 S HN 0.448 nan 8.310 nan 0.000 0.505 480 H N 1.518 120.642 119.070 0.090 0.000 2.422 480 H HA 0.559 2.161 4.556 -4.924 0.000 0.303 480 H C 1.606 176.995 175.328 0.102 0.000 1.033 480 H CA 0.719 56.808 56.048 0.068 0.000 1.335 480 H CB 0.117 29.900 29.762 0.034 0.000 1.458 480 H HN 0.493 nan 8.280 nan 0.000 0.556 481 A N 1.044 124.038 122.820 0.288 0.000 2.833 481 A HA 0.639 2.006 4.320 -4.922 0.000 0.293 481 A C 0.897 178.754 177.584 0.455 0.000 1.338 481 A CA 0.184 52.419 52.037 0.331 0.000 0.959 481 A CB -0.867 18.329 19.000 0.327 0.000 1.094 481 A HN 0.413 nan 8.150 nan 0.000 0.569 482 A N -0.570 122.411 122.820 0.268 0.000 2.311 482 A HA 0.448 1.815 4.320 -4.922 0.000 0.272 482 A C 1.616 179.051 177.584 -0.249 0.000 1.438 482 A CA 0.435 52.536 52.037 0.107 0.000 0.819 482 A CB -0.483 18.536 19.000 0.033 0.000 1.336 482 A HN 0.547 nan 8.150 nan 0.000 0.528 483 V N -1.396 118.096 119.914 -0.703 0.000 2.255 483 V HA -0.142 1.025 4.120 -4.922 0.000 0.247 483 V C 0.803 176.536 176.094 -0.602 0.000 1.051 483 V CA 1.471 63.233 62.300 -0.897 0.000 1.018 483 V CB -1.094 30.204 31.823 -0.875 0.000 0.641 483 V HN 0.500 nan 8.190 nan 0.000 0.445 484 F N 0.772 120.584 119.950 -0.230 0.000 2.397 484 F HA 0.662 2.233 4.527 -4.927 0.000 0.331 484 F C 0.575 176.302 175.800 -0.122 0.000 1.090 484 F CA -0.822 57.082 58.000 -0.160 0.000 1.065 484 F CB 1.004 39.926 39.000 -0.130 0.000 1.184 484 F HN 0.102 nan 8.300 nan 0.000 0.499 485 R N 1.266 121.809 120.500 0.072 0.000 2.515 485 R HA 0.690 2.077 4.340 -4.922 0.000 0.278 485 R C -1.796 174.510 176.300 0.010 0.000 1.107 485 R CA -0.962 55.154 56.100 0.028 0.000 0.945 485 R CB 1.046 31.353 30.300 0.012 0.000 1.219 485 R HN 0.513 nan 8.270 nan 0.000 0.434 486 V N -0.482 119.441 119.914 0.016 0.000 2.975 486 V HA 0.679 1.846 4.120 -4.922 0.000 0.318 486 V C 1.250 177.357 176.094 0.022 0.000 1.077 486 V CA 0.162 62.460 62.300 -0.003 0.000 1.000 486 V CB 1.580 33.386 31.823 -0.030 0.000 1.066 486 V HN 0.813 nan 8.190 nan 0.000 0.452 487 G N 1.117 109.931 108.800 0.024 0.000 2.440 487 G HA2 -0.207 0.799 3.960 -4.922 0.000 0.218 487 G HA3 -0.207 0.799 3.960 -4.922 0.000 0.218 487 G C 1.390 176.307 174.900 0.029 0.000 1.154 487 G CA 1.343 46.472 45.100 0.048 0.000 0.767 487 G HN 0.860 nan 8.290 nan 0.000 0.552 488 S N -0.033 115.677 115.700 0.017 0.000 2.356 488 S HA -0.113 1.404 4.470 -4.922 0.000 0.223 488 S C 2.491 177.116 174.600 0.041 0.000 1.032 488 S CA 1.279 59.490 58.200 0.018 0.000 1.005 488 S CB -0.329 62.874 63.200 0.006 0.000 0.867 488 S HN 0.190 nan 8.310 nan 0.000 0.449 489 V N 2.004 121.952 119.914 0.057 0.000 2.379 489 V HA -0.086 1.081 4.120 -4.922 0.000 0.245 489 V C 2.182 178.390 176.094 0.191 0.000 1.044 489 V CA 1.344 63.721 62.300 0.129 0.000 1.036 489 V CB -0.733 31.133 31.823 0.072 0.000 0.664 489 V HN 0.383 nan 8.190 nan 0.000 0.453 490 L N -0.564 120.717 121.223 0.097 0.000 2.083 490 L HA -0.190 1.197 4.340 -4.922 0.000 0.209 490 L C 2.770 179.612 176.870 -0.048 0.000 1.083 490 L CA 1.350 56.217 54.840 0.045 0.000 0.752 490 L CB -0.580 41.498 42.059 0.033 0.000 0.899 490 L HN 0.331 nan 8.230 nan 0.000 0.433 491 Q N -0.123 119.654 119.800 -0.037 0.000 2.084 491 Q HA -0.269 1.118 4.340 -4.922 0.000 0.202 491 Q C 2.104 178.048 176.000 -0.094 0.000 0.978 491 Q CA 1.708 57.464 55.803 -0.078 0.000 0.844 491 Q CB -0.083 28.636 28.738 -0.032 0.000 0.898 491 Q HN 0.554 nan 8.270 nan 0.000 0.426 492 E N -0.655 119.516 120.200 -0.049 0.000 2.072 492 E HA -0.141 1.256 4.350 -4.922 0.000 0.191 492 E C 1.910 178.349 176.600 -0.268 0.000 0.985 492 E CA 1.013 57.366 56.400 -0.077 0.000 0.801 492 E CB -0.169 29.557 29.700 0.042 0.000 0.750 492 E HN 0.406 nan 8.360 nan 0.000 0.452 493 G N 0.475 109.020 108.800 -0.425 0.000 2.422 493 G HA2 -0.288 0.719 3.960 -4.922 0.000 0.218 493 G HA3 -0.288 0.719 3.960 -4.922 0.000 0.218 493 G C 1.715 176.433 174.900 -0.304 0.000 1.146 493 G CA 0.907 45.611 45.100 -0.660 0.000 0.769 493 G HN 0.376 nan 8.290 nan 0.000 0.547 494 C N 1.287 120.430 119.300 -0.261 0.000 2.429 494 C HA -0.023 1.484 4.460 -4.922 0.000 0.277 494 C C 2.796 177.726 174.990 -0.100 0.000 1.262 494 C CA 1.297 60.120 59.018 -0.325 0.000 1.733 494 C CB -0.592 26.700 27.740 -0.748 0.000 2.010 494 C HN 0.765 nan 8.230 nan 0.000 0.483 495 E N 0.553 120.697 120.200 -0.095 0.000 2.442 495 E HA -0.099 1.298 4.350 -4.922 0.000 0.195 495 E C 1.752 178.340 176.600 -0.020 0.000 1.030 495 E CA 0.454 56.850 56.400 -0.006 0.000 0.869 495 E CB -0.233 29.462 29.700 -0.008 0.000 0.857 495 E HN 0.568 nan 8.360 nan 0.000 0.505 496 K N 0.600 120.948 120.400 -0.088 0.000 2.116 496 K HA 0.008 1.375 4.320 -4.922 0.000 0.203 496 K C 1.961 178.540 176.600 -0.035 0.000 1.052 496 K CA 0.543 56.776 56.287 -0.090 0.000 0.952 496 K CB 0.194 32.565 32.500 -0.215 0.000 0.729 496 K HN 0.056 nan 8.250 nan 0.000 0.446 497 I N 1.246 121.802 120.570 -0.024 0.000 2.406 497 I HA -0.183 1.034 4.170 -4.922 0.000 0.249 497 I C 2.189 178.367 176.117 0.100 0.000 1.122 497 I CA 0.736 62.061 61.300 0.042 0.000 1.431 497 I CB -0.745 37.286 38.000 0.052 0.000 1.087 497 I HN 0.224 nan 8.210 nan 0.000 0.424 498 L N 1.480 122.773 121.223 0.116 0.000 2.083 498 L HA -0.183 1.204 4.340 -4.922 0.000 0.209 498 L C 2.794 179.735 176.870 0.118 0.000 1.083 498 L CA 1.704 56.615 54.840 0.119 0.000 0.752 498 L CB -0.678 41.462 42.059 0.134 0.000 0.899 498 L HN 0.146 nan 8.230 nan 0.000 0.433 499 R N -0.221 120.328 120.500 0.080 0.000 2.096 499 R HA -0.194 1.193 4.340 -4.922 0.000 0.240 499 R C 2.082 178.429 176.300 0.079 0.000 1.139 499 R CA 2.327 58.466 56.100 0.064 0.000 0.952 499 R CB -0.582 29.736 30.300 0.030 0.000 0.854 499 R HN 0.517 nan 8.270 nan 0.000 0.436 500 L N -0.512 120.762 121.223 0.085 0.000 2.395 500 L HA -0.061 1.326 4.340 -4.922 0.000 0.218 500 L C 2.130 179.059 176.870 0.099 0.000 1.130 500 L CA 0.474 55.359 54.840 0.076 0.000 0.826 500 L CB -0.395 41.701 42.059 0.062 0.000 0.941 500 L HN 0.207 nan 8.230 nan 0.000 0.451 501 Y N 1.010 121.323 120.300 0.023 0.000 2.314 501 Y HA -0.068 1.531 4.550 -4.918 0.000 0.293 501 Y C 2.354 178.274 175.900 0.032 0.000 1.129 501 Y CA 1.336 59.448 58.100 0.019 0.000 1.201 501 Y CB -0.125 38.338 38.460 0.006 0.000 0.999 501 Y HN 0.086 nan 8.280 nan 0.000 0.541 502 G N -0.867 108.038 108.800 0.175 0.000 2.484 502 G HA2 -0.175 0.832 3.960 -4.922 0.000 0.218 502 G HA3 -0.175 0.832 3.960 -4.922 0.000 0.218 502 G C 1.071 176.043 174.900 0.120 0.000 1.130 502 G CA 0.910 46.087 45.100 0.129 0.000 0.784 502 G HN 0.327 nan 8.290 nan 0.000 0.543 503 D N 0.368 120.818 120.400 0.084 0.000 2.347 503 D HA 0.020 1.707 4.640 -4.922 0.000 0.215 503 D C 2.043 178.382 176.300 0.066 0.000 0.976 503 D CA 0.079 54.139 54.000 0.099 0.000 0.884 503 D CB 0.079 40.903 40.800 0.041 0.000 0.915 503 D HN 0.277 nan 8.370 nan 0.000 0.526 504 L N 1.025 122.223 121.223 -0.042 0.000 2.737 504 L HA -0.042 1.345 4.340 -4.922 0.000 0.246 504 L C 1.791 178.605 176.870 -0.093 0.000 1.153 504 L CA 0.437 55.207 54.840 -0.118 0.000 0.920 504 L CB -0.147 41.725 42.059 -0.310 0.000 1.090 504 L HN 0.080 nan 8.230 nan 0.000 0.430 505 Q N -3.031 116.745 119.800 -0.040 0.000 2.313 505 Q HA 0.052 1.439 4.340 -4.922 0.000 0.263 505 Q C 1.141 177.075 176.000 -0.109 0.000 0.820 505 Q CA -0.220 55.532 55.803 -0.085 0.000 0.974 505 Q CB 0.126 28.793 28.738 -0.119 0.000 1.156 505 Q HN 0.503 nan 8.270 nan 0.000 0.517 506 H N 1.935 120.994 119.070 -0.019 0.000 2.574 506 H HA 0.090 1.693 4.556 -4.922 0.000 0.277 506 H C 0.029 175.357 175.328 0.000 0.000 1.058 506 H CA 0.257 56.302 56.048 -0.005 0.000 1.171 506 H CB -0.011 29.752 29.762 0.001 0.000 1.304 506 H HN 0.172 nan 8.280 nan 0.000 0.620 507 L N -0.001 121.262 121.223 0.066 0.000 2.305 507 L HA 0.363 1.750 4.340 -4.922 0.000 0.281 507 L C 0.252 177.147 176.870 0.041 0.000 1.085 507 L CA -0.743 54.129 54.840 0.053 0.000 0.813 507 L CB 0.682 42.757 42.059 0.026 0.000 1.157 507 L HN -0.244 nan 8.230 nan 0.000 0.436 508 K N 1.297 121.738 120.400 0.069 0.000 2.263 508 K HA 0.477 1.844 4.320 -4.922 0.000 0.272 508 K C -0.178 176.491 176.600 0.114 0.000 1.033 508 K CA -0.155 56.165 56.287 0.054 0.000 0.884 508 K CB 1.099 33.636 32.500 0.062 0.000 1.107 508 K HN 0.836 nan 8.250 nan 0.000 0.460 509 T N 2.837 117.421 114.554 0.051 0.000 2.902 509 T HA 0.422 1.819 4.350 -4.922 0.000 0.280 509 T C 0.187 174.930 174.700 0.072 0.000 0.992 509 T CA -0.320 61.845 62.100 0.109 0.000 1.015 509 T CB 0.367 69.250 68.868 0.025 0.000 1.044 509 T HN 0.534 nan 8.240 nan 0.000 0.520 510 F N -0.267 119.675 119.950 -0.013 0.000 2.522 510 F HA 0.321 1.894 4.527 -4.922 0.000 0.275 510 F C 1.141 176.935 175.800 -0.011 0.000 0.890 510 F CA -0.514 57.484 58.000 -0.003 0.000 1.157 510 F CB 0.192 39.192 39.000 0.001 0.000 1.117 510 F HN 0.405 nan 8.300 nan 0.000 0.787 511 D N 1.490 122.001 120.400 0.186 0.000 2.434 511 D HA 0.059 1.746 4.640 -4.922 0.000 0.252 511 D C -0.000 176.299 176.300 -0.002 0.000 1.185 511 D CA 0.536 54.585 54.000 0.080 0.000 0.886 511 D CB 0.642 41.478 40.800 0.059 0.000 1.148 511 D HN 0.187 nan 8.370 nan 0.000 0.483 512 R N 2.475 122.963 120.500 -0.020 0.000 2.727 512 R HA 0.334 1.721 4.340 -4.922 0.000 0.410 512 R C 0.588 176.839 176.300 -0.082 0.000 1.101 512 R CA -0.564 55.470 56.100 -0.110 0.000 1.045 512 R CB 1.250 31.512 30.300 -0.063 0.000 1.380 512 R HN 0.359 nan 8.270 nan 0.000 0.587 513 G N -0.359 108.416 108.800 -0.043 0.000 2.557 513 G HA2 0.235 1.242 3.960 -4.922 0.000 0.302 513 G HA3 0.235 1.242 3.960 -4.922 0.000 0.302 513 G C 0.641 175.527 174.900 -0.022 0.000 1.311 513 G CA -0.443 44.650 45.100 -0.011 0.000 1.030 513 G HN -0.020 nan 8.290 nan 0.000 0.509 514 M N -0.813 118.793 119.600 0.011 0.000 2.738 514 M HA 0.131 1.658 4.480 -4.922 0.000 0.256 514 M C 0.884 177.202 176.300 0.031 0.000 1.253 514 M CA 0.542 55.854 55.300 0.021 0.000 1.223 514 M CB -0.112 32.510 32.600 0.037 0.000 1.263 514 M HN 0.110 nan 8.290 nan 0.000 0.521 515 V N 1.571 121.526 119.914 0.068 0.000 2.485 515 V HA -0.112 1.055 4.120 -4.922 0.000 0.287 515 V C -0.617 175.601 176.094 0.205 0.000 1.022 515 V CA 0.027 62.406 62.300 0.131 0.000 1.067 515 V CB -1.022 30.890 31.823 0.149 0.000 0.967 515 V HN 0.690 nan 8.190 nan 0.000 0.479 516 W N 4.148 125.438 121.300 -0.016 0.000 6.228 516 W HA -0.220 1.487 4.660 -4.921 0.000 0.430 516 W C 0.878 177.378 176.519 -0.030 0.000 1.759 516 W CA 0.384 57.716 57.345 -0.022 0.000 1.013 516 W CB -0.742 28.709 29.460 -0.014 0.000 2.940 516 W HN 0.711 nan 8.180 nan 0.000 1.326 517 N N 1.222 119.940 118.700 0.031 0.000 3.083 517 N HA 0.055 1.842 4.740 -4.922 0.000 0.260 517 N C 1.400 176.890 175.510 -0.034 0.000 1.163 517 N CA 0.853 53.905 53.050 0.003 0.000 1.060 517 N CB 0.494 38.949 38.487 -0.054 0.000 1.345 517 N HN 0.335 nan 8.380 nan 0.000 0.515 518 T N -1.270 113.318 114.554 0.057 0.000 2.849 518 T HA -0.179 1.218 4.350 -4.922 0.000 0.270 518 T C 1.377 176.063 174.700 -0.023 0.000 1.066 518 T CA 0.967 63.087 62.100 0.034 0.000 1.130 518 T CB 0.036 68.985 68.868 0.136 0.000 0.864 518 T HN 0.219 nan 8.240 nan 0.000 0.481 519 D N 0.963 121.356 120.400 -0.011 0.000 2.117 519 D HA -0.066 1.621 4.640 -4.922 0.000 0.197 519 D C 1.868 178.133 176.300 -0.058 0.000 0.987 519 D CA 0.595 54.584 54.000 -0.017 0.000 0.829 519 D CB -0.431 40.380 40.800 0.018 0.000 0.961 519 D HN 0.331 nan 8.370 nan 0.000 0.460 520 L N 0.245 121.411 121.223 -0.095 0.000 2.072 520 L HA -0.050 1.337 4.340 -4.922 0.000 0.205 520 L C 2.451 179.180 176.870 -0.236 0.000 1.079 520 L CA 1.488 56.239 54.840 -0.148 0.000 0.752 520 L CB -0.723 41.241 42.059 -0.158 0.000 0.906 520 L HN 0.128 nan 8.230 nan 0.000 0.436 521 V N -3.229 116.502 119.914 -0.305 0.000 2.515 521 V HA -0.166 1.001 4.120 -4.922 0.000 0.250 521 V C 2.153 178.013 176.094 -0.390 0.000 1.058 521 V CA 1.663 63.641 62.300 -0.537 0.000 1.064 521 V CB -1.153 30.322 31.823 -0.579 0.000 0.675 521 V HN 0.502 nan 8.190 nan 0.000 0.461 522 E N 0.763 120.850 120.200 -0.188 0.000 2.204 522 E HA -0.107 1.290 4.350 -4.922 0.000 0.194 522 E C 2.266 178.823 176.600 -0.071 0.000 0.989 522 E CA 1.625 57.973 56.400 -0.087 0.000 0.824 522 E CB -0.229 29.449 29.700 -0.036 0.000 0.756 522 E HN 0.736 nan 8.360 nan 0.000 0.477 523 T N 1.290 115.785 114.554 -0.099 0.000 2.851 523 T HA -0.042 1.355 4.350 -4.922 0.000 0.262 523 T C 1.998 176.647 174.700 -0.085 0.000 1.043 523 T CA 0.513 62.569 62.100 -0.073 0.000 1.140 523 T CB -0.124 68.704 68.868 -0.068 0.000 0.872 523 T HN 0.068 nan 8.240 nan 0.000 0.446 524 L N 0.885 122.015 121.223 -0.156 0.000 2.079 524 L HA -0.118 1.269 4.340 -4.922 0.000 0.210 524 L C 2.727 179.596 176.870 -0.003 0.000 1.081 524 L CA 1.414 56.178 54.840 -0.127 0.000 0.752 524 L CB -0.582 41.290 42.059 -0.312 0.000 0.896 524 L HN 0.312 nan 8.230 nan 0.000 0.433 525 E N -0.183 120.008 120.200 -0.015 0.000 2.110 525 E HA -0.251 1.146 4.350 -4.922 0.000 0.193 525 E C 2.110 178.751 176.600 0.067 0.000 0.988 525 E CA 1.012 57.477 56.400 0.108 0.000 0.804 525 E CB -0.113 29.649 29.700 0.104 0.000 0.745 525 E HN 0.281 nan 8.360 nan 0.000 0.458 526 L N 1.304 122.541 121.223 0.024 0.000 2.056 526 L HA -0.211 1.176 4.340 -4.922 0.000 0.207 526 L C 2.058 178.936 176.870 0.012 0.000 1.078 526 L CA 1.735 56.587 54.840 0.021 0.000 0.749 526 L CB -0.236 41.826 42.059 0.005 0.000 0.901 526 L HN 0.047 nan 8.230 nan 0.000 0.433 527 Q N -0.585 119.212 119.800 -0.005 0.000 2.096 527 Q HA -0.203 1.184 4.340 -4.922 0.000 0.204 527 Q C 1.898 177.917 176.000 0.032 0.000 0.982 527 Q CA 1.794 57.588 55.803 -0.015 0.000 0.850 527 Q CB -0.257 28.466 28.738 -0.025 0.000 0.901 527 Q HN 0.567 nan 8.270 nan 0.000 0.422 528 N N 0.507 119.236 118.700 0.047 0.000 2.188 528 N HA -0.087 1.700 4.740 -4.922 0.000 0.184 528 N C 1.748 177.264 175.510 0.011 0.000 1.018 528 N CA 0.894 53.967 53.050 0.038 0.000 0.858 528 N CB -0.217 38.312 38.487 0.069 0.000 0.989 528 N HN 0.183 nan 8.380 nan 0.000 0.426 529 L N 0.022 121.267 121.223 0.037 0.000 2.056 529 L HA -0.054 1.333 4.340 -4.922 0.000 0.207 529 L C 2.229 179.118 176.870 0.031 0.000 1.078 529 L CA 0.813 55.678 54.840 0.041 0.000 0.749 529 L CB -0.249 41.851 42.059 0.069 0.000 0.901 529 L HN 0.146 nan 8.230 nan 0.000 0.433 530 M N -0.603 119.030 119.600 0.055 0.000 2.099 530 M HA -0.180 1.347 4.480 -4.922 0.000 0.262 530 M C 2.379 178.748 176.300 0.115 0.000 1.067 530 M CA 1.758 57.120 55.300 0.104 0.000 1.124 530 M CB -0.855 31.829 32.600 0.140 0.000 1.353 530 M HN 0.237 nan 8.290 nan 0.000 0.410 531 L N -0.932 120.355 121.223 0.107 0.000 2.131 531 L HA -0.270 1.117 4.340 -4.922 0.000 0.210 531 L C 2.604 179.419 176.870 -0.091 0.000 1.092 531 L CA 0.867 55.731 54.840 0.040 0.000 0.759 531 L CB -0.489 41.597 42.059 0.044 0.000 0.903 531 L HN 0.352 nan 8.230 nan 0.000 0.435 532 C N -0.823 118.384 119.300 -0.154 0.000 2.453 532 C HA -0.096 1.411 4.460 -4.922 0.000 0.277 532 C C 3.112 177.992 174.990 -0.184 0.000 1.262 532 C CA 0.657 59.467 59.018 -0.347 0.000 1.718 532 C CB -0.890 26.482 27.740 -0.613 0.000 2.031 532 C HN 0.629 nan 8.230 nan 0.000 0.480 533 A N 0.169 122.955 122.820 -0.057 0.000 1.883 533 A HA -0.155 1.212 4.320 -4.922 0.000 0.217 533 A C 1.982 179.582 177.584 0.025 0.000 1.186 533 A CA 1.648 53.686 52.037 0.002 0.000 0.624 533 A CB -0.702 18.303 19.000 0.009 0.000 0.822 533 A HN 0.477 nan 8.150 nan 0.000 0.444 534 L N -0.239 120.988 121.223 0.007 0.000 2.013 534 L HA -0.279 1.108 4.340 -4.922 0.000 0.212 534 L C 2.837 179.725 176.870 0.029 0.000 1.073 534 L CA 2.342 57.183 54.840 0.001 0.000 0.753 534 L CB -0.567 41.389 42.059 -0.171 0.000 0.890 534 L HN 0.498 nan 8.230 nan 0.000 0.432 535 Q N -1.853 117.922 119.800 -0.043 0.000 2.172 535 Q HA -0.136 1.251 4.340 -4.922 0.000 0.200 535 Q C 2.022 178.055 176.000 0.054 0.000 0.964 535 Q CA 1.695 57.482 55.803 -0.026 0.000 0.855 535 Q CB -0.235 28.447 28.738 -0.093 0.000 0.918 535 Q HN 0.526 nan 8.270 nan 0.000 0.444 536 T N 1.250 115.847 114.554 0.073 0.000 2.737 536 T HA -0.125 1.272 4.350 -4.922 0.000 0.265 536 T C 1.815 176.594 174.700 0.132 0.000 1.038 536 T CA 0.982 63.165 62.100 0.139 0.000 1.144 536 T CB -0.136 68.862 68.868 0.217 0.000 0.866 536 T HN 0.155 nan 8.240 nan 0.000 0.434 537 I N -0.138 120.511 120.570 0.131 0.000 2.353 537 I HA -0.021 1.196 4.170 -4.922 0.000 0.248 537 I C 1.841 177.999 176.117 0.068 0.000 1.119 537 I CA 1.144 62.503 61.300 0.097 0.000 1.417 537 I CB -0.221 37.813 38.000 0.055 0.000 1.078 537 I HN 0.166 nan 8.210 nan 0.000 0.421 538 Y N 0.579 120.878 120.300 -0.000 0.000 2.263 538 Y HA -0.011 1.583 4.550 -4.926 0.000 0.292 538 Y C 2.561 178.465 175.900 0.006 0.000 1.130 538 Y CA 1.527 59.628 58.100 0.001 0.000 1.179 538 Y CB -1.091 37.361 38.460 -0.012 0.000 0.998 538 Y HN 0.200 nan 8.280 nan 0.000 0.532 539 G N -0.682 108.200 108.800 0.137 0.000 2.422 539 G HA2 -0.223 0.783 3.960 -4.922 0.000 0.218 539 G HA3 -0.223 0.783 3.960 -4.922 0.000 0.218 539 G C 1.875 176.727 174.900 -0.080 0.000 1.146 539 G CA 0.917 46.043 45.100 0.044 0.000 0.769 539 G HN 0.459 nan 8.290 nan 0.000 0.547 540 A N 1.372 124.156 122.820 -0.060 0.000 1.897 540 A HA 0.043 1.410 4.320 -4.922 0.000 0.215 540 A C 2.177 179.794 177.584 0.054 0.000 1.181 540 A CA 2.050 54.069 52.037 -0.030 0.000 0.620 540 A CB -0.359 18.723 19.000 0.137 0.000 0.821 540 A HN 0.513 nan 8.150 nan 0.000 0.443 541 E N 0.350 120.556 120.200 0.010 0.000 2.152 541 E HA 0.089 1.486 4.350 -4.922 0.000 0.192 541 E C 1.733 178.335 176.600 0.004 0.000 0.983 541 E CA 1.451 57.850 56.400 -0.003 0.000 0.818 541 E CB -0.437 29.209 29.700 -0.091 0.000 0.758 541 E HN 0.385 nan 8.360 nan 0.000 0.467 542 A N 1.069 123.900 122.820 0.019 0.000 1.897 542 A HA -0.028 1.339 4.320 -4.922 0.000 0.215 542 A C 1.678 179.200 177.584 -0.102 0.000 1.181 542 A CA 0.765 52.859 52.037 0.096 0.000 0.620 542 A CB -0.475 18.671 19.000 0.243 0.000 0.821 542 A HN 0.210 nan 8.150 nan 0.000 0.443 543 R N 1.079 121.343 120.500 -0.393 0.000 2.351 543 R HA 0.139 1.526 4.340 -4.922 0.000 0.318 543 R C -0.766 175.041 176.300 -0.822 0.000 1.055 543 R CA 0.168 55.607 56.100 -1.102 0.000 0.968 543 R CB 0.098 29.846 30.300 -0.920 0.000 0.974 543 R HN 0.230 nan 8.270 nan 0.000 0.439 544 K N 4.994 124.607 120.400 -1.312 0.000 3.016 544 K HA 0.088 1.455 4.320 -4.922 0.000 0.226 544 K C -0.867 175.267 176.600 -0.777 0.000 1.245 544 K CA -0.213 55.557 56.287 -0.862 0.000 1.174 544 K CB 0.431 32.357 32.500 -0.956 0.000 1.572 544 K HN 0.697 nan 8.250 nan 0.000 0.462 545 E N -1.702 118.269 120.200 -0.382 0.000 2.437 545 E HA 0.333 1.730 4.350 -4.922 0.000 0.280 545 E C -1.247 175.403 176.600 0.083 0.000 1.044 545 E CA -1.012 55.344 56.400 -0.074 0.000 0.826 545 E CB 1.208 30.847 29.700 -0.100 0.000 1.358 545 E HN -0.163 nan 8.360 nan 0.000 0.459 546 S N 0.382 116.157 115.700 0.124 0.000 2.461 546 S HA 0.460 1.977 4.470 -4.922 0.000 0.322 546 S C -0.829 173.878 174.600 0.178 0.000 1.063 546 S CA -0.656 57.612 58.200 0.113 0.000 1.120 546 S CB 0.381 63.633 63.200 0.086 0.000 0.968 546 S HN 0.421 nan 8.310 nan 0.000 0.467 547 R N 2.520 123.176 120.500 0.261 0.000 2.500 547 R HA 0.530 1.917 4.340 -4.922 0.000 0.299 547 R C 0.834 177.368 176.300 0.390 0.000 1.038 547 R CA 0.317 56.614 56.100 0.328 0.000 0.903 547 R CB 0.513 31.056 30.300 0.406 0.000 1.177 547 R HN 0.837 nan 8.270 nan 0.000 0.455 548 G N 2.700 111.654 108.800 0.256 0.000 2.596 548 G HA2 -0.487 0.520 3.960 -4.922 0.000 0.304 548 G HA3 -0.487 0.520 3.960 -4.922 0.000 0.304 548 G C 0.830 175.853 174.900 0.205 0.000 1.189 548 G CA 0.625 45.855 45.100 0.218 0.000 0.986 548 G HN 0.790 nan 8.290 nan 0.000 0.548 549 A N -0.651 122.344 122.820 0.290 0.000 1.930 549 A HA 0.097 1.463 4.320 -4.922 0.000 0.217 549 A C 1.397 179.088 177.584 0.179 0.000 1.175 549 A CA 1.871 54.049 52.037 0.234 0.000 0.627 549 A CB -0.530 18.654 19.000 0.307 0.000 0.815 549 A HN 1.156 nan 8.150 nan 0.000 0.443 550 H N 0.441 119.587 119.070 0.126 0.000 2.878 550 H HA 0.489 2.085 4.556 -4.935 0.000 0.290 550 H C -0.839 174.473 175.328 -0.028 0.000 1.065 550 H CA 0.403 56.403 56.048 -0.081 0.000 1.477 550 H CB 0.258 29.745 29.762 -0.458 0.000 1.484 550 H HN 0.247 nan 8.280 nan 0.000 0.504 551 A N 7.730 130.295 122.820 -0.424 0.000 2.375 551 A HA 0.379 1.746 4.320 -4.922 0.000 0.291 551 A C -0.271 177.131 177.584 -0.303 0.000 1.160 551 A CA -0.903 50.966 52.037 -0.279 0.000 0.747 551 A CB 0.785 19.672 19.000 -0.188 0.000 1.170 551 A HN 0.696 nan 8.150 nan 0.000 0.458 552 R N 2.032 122.399 120.500 -0.223 0.000 2.308 552 R HA 0.212 1.599 4.340 -4.922 0.000 0.305 552 R C 0.166 176.470 176.300 0.007 0.000 1.053 552 R CA -0.365 55.687 56.100 -0.080 0.000 0.957 552 R CB 1.222 31.571 30.300 0.082 0.000 1.022 552 R HN 0.789 nan 8.270 nan 0.000 0.461 553 E N 1.583 121.783 120.200 0.001 0.000 2.208 553 E HA -0.126 1.271 4.350 -4.922 0.000 0.193 553 E C 0.625 177.150 176.600 -0.125 0.000 0.988 553 E CA 0.994 57.379 56.400 -0.025 0.000 0.828 553 E CB 0.373 30.046 29.700 -0.045 0.000 0.763 553 E HN 0.528 nan 8.360 nan 0.000 0.478 554 D N 0.115 120.378 120.400 -0.229 0.000 2.123 554 D HA -0.112 1.575 4.640 -4.922 0.000 0.200 554 D C 0.451 176.323 176.300 -0.713 0.000 0.976 554 D CA 0.847 54.502 54.000 -0.574 0.000 0.831 554 D CB -0.119 40.143 40.800 -0.898 0.000 0.974 554 D HN 0.166 nan 8.370 nan 0.000 0.469 555 F N 1.610 121.558 119.950 -0.004 0.000 2.449 555 F HA 0.248 1.924 4.527 -4.752 0.000 0.329 555 F C 1.159 176.967 175.800 0.013 0.000 1.245 555 F CA -0.891 57.115 58.000 0.009 0.000 1.193 555 F CB 0.774 39.775 39.000 0.002 0.000 1.425 555 F HN -0.262 nan 8.300 nan 0.000 0.544 556 K N -0.549 119.922 120.400 0.118 0.000 2.591 556 K HA 0.069 1.436 4.320 -4.922 0.000 0.197 556 K C -0.326 176.347 176.600 0.122 0.000 1.026 556 K CA 0.372 56.722 56.287 0.105 0.000 1.127 556 K CB 0.169 32.715 32.500 0.075 0.000 0.871 556 K HN 0.303 nan 8.250 nan 0.000 0.507 557 E N 1.902 122.196 120.200 0.157 0.000 2.216 557 E HA 0.181 1.578 4.350 -4.922 0.000 0.279 557 E C -0.505 176.189 176.600 0.157 0.000 0.997 557 E CA -0.576 55.913 56.400 0.149 0.000 0.817 557 E CB 1.398 31.193 29.700 0.157 0.000 1.096 557 E HN -0.002 nan 8.360 nan 0.000 0.393 558 R N 2.812 123.401 120.500 0.147 0.000 2.308 558 R HA 0.181 1.568 4.340 -4.922 0.000 0.325 558 R C -0.910 175.495 176.300 0.174 0.000 1.161 558 R CA -0.346 55.851 56.100 0.162 0.000 1.022 558 R CB -0.258 30.131 30.300 0.148 0.000 1.091 558 R HN 0.190 nan 8.270 nan 0.000 0.497 559 V N 5.704 125.742 119.914 0.207 0.000 2.372 559 V HA 0.117 1.283 4.120 -4.922 0.000 0.261 559 V C 0.574 176.809 176.094 0.236 0.000 1.055 559 V CA -0.216 62.217 62.300 0.222 0.000 0.930 559 V CB 0.908 32.903 31.823 0.286 0.000 1.031 559 V HN 0.575 nan 8.190 nan 0.000 0.479 560 D N 3.296 123.803 120.400 0.179 0.000 2.588 560 D HA 0.284 1.971 4.640 -4.922 0.000 0.268 560 D C 0.919 177.172 176.300 -0.079 0.000 1.176 560 D CA -0.545 53.541 54.000 0.142 0.000 1.080 560 D CB 1.157 42.116 40.800 0.265 0.000 1.186 560 D HN 0.535 nan 8.370 nan 0.000 0.619 561 E N -0.792 119.231 120.200 -0.296 0.000 2.274 561 E HA -0.037 1.360 4.350 -4.922 0.000 0.194 561 E C -0.242 176.012 176.600 -0.577 0.000 0.996 561 E CA 1.155 57.172 56.400 -0.639 0.000 0.840 561 E CB -0.130 29.245 29.700 -0.542 0.000 0.772 561 E HN 0.336 nan 8.360 nan 0.000 0.491 562 Y N -0.737 119.466 120.300 -0.161 0.000 2.638 562 Y HA 0.295 1.895 4.550 -4.917 0.000 0.339 562 Y C -0.759 175.019 175.900 -0.203 0.000 1.084 562 Y CA -1.734 56.178 58.100 -0.314 0.000 1.068 562 Y CB 1.409 39.423 38.460 -0.744 0.000 1.294 562 Y HN -0.284 nan 8.280 nan 0.000 0.480 563 D N 0.405 120.796 120.400 -0.015 0.000 2.453 563 D HA 0.111 1.798 4.640 -4.922 0.000 0.223 563 D C -0.278 175.993 176.300 -0.049 0.000 1.183 563 D CA 0.290 54.295 54.000 0.009 0.000 0.933 563 D CB -0.120 40.686 40.800 0.010 0.000 1.038 563 D HN 0.435 nan 8.370 nan 0.000 0.513 564 Y N 1.237 121.535 120.300 -0.004 0.000 2.632 564 Y HA -0.078 1.515 4.550 -4.928 0.000 0.301 564 Y C 2.420 178.277 175.900 -0.073 0.000 1.172 564 Y CA 0.415 58.473 58.100 -0.070 0.000 1.328 564 Y CB 0.015 38.388 38.460 -0.146 0.000 1.016 564 Y HN 0.411 nan 8.280 nan 0.000 0.529 565 S N -0.144 115.595 115.700 0.066 0.000 2.371 565 S HA -0.097 1.420 4.470 -4.922 0.000 0.224 565 S C 0.819 175.423 174.600 0.007 0.000 1.029 565 S CA 0.230 58.450 58.200 0.034 0.000 0.978 565 S CB -0.314 62.906 63.200 0.033 0.000 0.833 565 S HN 0.399 nan 8.310 nan 0.000 0.466 566 K N 1.409 121.801 120.400 -0.014 0.000 2.132 566 K HA 0.638 2.005 4.320 -4.922 0.000 0.241 566 K C -3.155 173.407 176.600 -0.064 0.000 1.000 566 K CA -2.462 53.806 56.287 -0.031 0.000 0.911 566 K CB -0.447 32.036 32.500 -0.027 0.000 1.093 566 K HN -0.105 nan 8.250 nan 0.000 0.460 567 P HA -0.093 nan 4.420 nan 0.000 0.267 567 P C 0.348 177.558 177.300 -0.150 0.000 1.195 567 P CA -0.134 62.913 63.100 -0.088 0.000 0.773 567 P CB 0.311 31.972 31.700 -0.064 0.000 0.837 568 I N 1.757 122.205 120.570 -0.203 0.000 2.439 568 I HA -0.196 1.021 4.170 -4.922 0.000 0.251 568 I C 2.192 178.145 176.117 -0.273 0.000 1.139 568 I CA 1.482 62.568 61.300 -0.356 0.000 1.438 568 I CB -0.548 37.216 38.000 -0.394 0.000 1.085 568 I HN 0.400 nan 8.210 nan 0.000 0.427 569 Q N 0.379 120.085 119.800 -0.157 0.000 2.002 569 Q HA -0.194 1.193 4.340 -4.922 0.000 0.204 569 Q C 2.105 178.070 176.000 -0.058 0.000 0.988 569 Q CA 1.974 57.718 55.803 -0.099 0.000 0.843 569 Q CB -0.695 28.003 28.738 -0.067 0.000 0.908 569 Q HN 0.581 nan 8.270 nan 0.000 0.420 570 G N 0.002 108.774 108.800 -0.047 0.000 2.625 570 G HA2 -0.133 0.874 3.960 -4.922 0.000 0.214 570 G HA3 -0.133 0.874 3.960 -4.922 0.000 0.214 570 G C 0.056 174.958 174.900 0.004 0.000 1.132 570 G CA 0.096 45.184 45.100 -0.020 0.000 0.782 570 G HN 0.379 nan 8.290 nan 0.000 0.538 571 Q N -0.737 119.078 119.800 0.026 0.000 2.215 571 Q HA 0.520 1.907 4.340 -4.922 0.000 0.256 571 Q C -0.430 175.663 176.000 0.154 0.000 0.972 571 Q CA -0.516 55.341 55.803 0.090 0.000 0.889 571 Q CB 1.561 30.401 28.738 0.170 0.000 1.281 571 Q HN 0.216 nan 8.270 nan 0.000 0.456 572 Q N 1.034 120.881 119.800 0.079 0.000 2.266 572 Q HA 0.261 1.648 4.340 -4.922 0.000 0.261 572 Q C -1.085 174.822 176.000 -0.155 0.000 0.985 572 Q CA -0.680 55.147 55.803 0.041 0.000 0.873 572 Q CB 1.398 30.136 28.738 -0.000 0.000 1.306 572 Q HN 0.376 nan 8.270 nan 0.000 0.447 573 K N 2.470 122.729 120.400 -0.236 0.000 2.489 573 K HA -0.003 1.364 4.320 -4.922 0.000 0.278 573 K C -0.678 175.708 176.600 -0.357 0.000 1.000 573 K CA 0.463 56.401 56.287 -0.582 0.000 1.012 573 K CB 0.512 32.867 32.500 -0.242 0.000 0.903 573 K HN 0.390 nan 8.250 nan 0.000 0.485 574 K N 5.032 125.183 120.400 -0.415 0.000 2.298 574 K HA 0.157 1.524 4.320 -4.922 0.000 0.280 574 K C -2.303 174.288 176.600 -0.015 0.000 1.032 574 K CA -1.727 54.455 56.287 -0.175 0.000 0.958 574 K CB 0.627 33.039 32.500 -0.146 0.000 0.978 574 K HN 0.403 nan 8.250 nan 0.000 0.472 575 P HA -0.093 nan 4.420 nan 0.000 0.266 575 P C 0.109 177.469 177.300 0.100 0.000 1.195 575 P CA 0.008 63.143 63.100 0.058 0.000 0.768 575 P CB 0.330 32.030 31.700 -0.001 0.000 0.838 576 F N 2.771 122.710 119.950 -0.018 0.000 2.154 576 F HA -0.255 1.347 4.527 -4.875 0.000 0.301 576 F C 1.680 177.225 175.800 -0.425 0.000 1.087 576 F CA 1.530 59.426 58.000 -0.172 0.000 1.274 576 F CB -0.127 38.834 39.000 -0.065 0.000 1.009 576 F HN 0.379 nan 8.300 nan 0.000 0.485 577 Q N -0.431 119.165 119.800 -0.340 0.000 2.282 577 Q HA 0.010 1.397 4.340 -4.922 0.000 0.205 577 Q C 1.150 176.846 176.000 -0.506 0.000 0.915 577 Q CA 0.586 56.103 55.803 -0.477 0.000 0.949 577 Q CB -0.012 28.619 28.738 -0.178 0.000 1.035 577 Q HN 0.616 nan 8.270 nan 0.000 0.484 578 E N 0.757 120.665 120.200 -0.488 0.000 2.508 578 E HA 0.011 1.408 4.350 -4.922 0.000 0.217 578 E C 0.074 176.423 176.600 -0.417 0.000 0.896 578 E CA -0.171 56.003 56.400 -0.378 0.000 1.118 578 E CB 0.599 30.192 29.700 -0.180 0.000 1.133 578 E HN 0.559 nan 8.360 nan 0.000 0.526 579 H N -2.976 115.791 119.070 -0.506 0.000 2.693 579 H HA 0.166 1.772 4.556 -4.916 0.000 0.348 579 H C -0.535 174.420 175.328 -0.621 0.000 1.222 579 H CA -0.900 54.896 56.048 -0.420 0.000 1.270 579 H CB 0.419 30.061 29.762 -0.202 0.000 1.798 579 H HN 0.054 nan 8.280 nan 0.000 0.592 580 W N 0.039 121.311 121.300 -0.048 0.000 2.846 580 W HA 0.322 4.847 4.660 -0.224 0.000 0.391 580 W C 0.963 177.493 176.519 0.018 0.000 1.011 580 W CA -0.549 56.718 57.345 -0.130 0.000 1.832 580 W CB 0.814 30.227 29.460 -0.079 0.000 1.151 580 W HN 0.354 nan 8.180 nan 0.000 0.582 581 R N 3.222 123.953 120.500 0.386 0.000 3.657 581 R HA 0.116 1.503 4.340 -4.922 0.000 0.220 581 R C -0.220 176.206 176.300 0.209 0.000 1.548 581 R CA 0.314 56.600 56.100 0.311 0.000 1.465 581 R CB -0.761 29.717 30.300 0.297 0.000 1.330 581 R HN 0.017 nan 8.270 nan 0.000 0.707 582 K N 0.059 120.531 120.400 0.120 0.000 2.575 582 K HA 0.262 1.629 4.320 -4.922 0.000 0.279 582 K C -1.306 175.407 176.600 0.188 0.000 0.969 582 K CA -1.077 55.265 56.287 0.091 0.000 0.868 582 K CB 1.042 33.534 32.500 -0.014 0.000 1.457 582 K HN 0.096 nan 8.250 nan 0.000 0.426 583 H N 1.139 120.398 119.070 0.315 0.000 2.646 583 H HA 0.160 1.762 4.556 -4.923 0.000 0.325 583 H C -0.356 175.171 175.328 0.331 0.000 1.075 583 H CA -0.044 56.165 56.048 0.269 0.000 1.421 583 H CB 1.198 31.049 29.762 0.149 0.000 1.461 583 H HN 0.494 nan 8.280 nan 0.000 0.525 584 T N 5.439 120.262 114.554 0.448 0.000 2.752 584 T HA 0.207 1.604 4.350 -4.922 0.000 0.295 584 T C 0.983 175.657 174.700 -0.044 0.000 0.923 584 T CA -0.418 61.781 62.100 0.165 0.000 1.112 584 T CB 0.008 69.018 68.868 0.237 0.000 0.884 584 T HN 0.277 nan 8.240 nan 0.000 0.525 585 L N 4.356 125.433 121.223 -0.243 0.000 2.297 585 L HA 0.316 1.703 4.340 -4.922 0.000 0.277 585 L C 0.581 177.291 176.870 -0.265 0.000 1.040 585 L CA -0.606 54.089 54.840 -0.243 0.000 0.867 585 L CB 0.608 42.532 42.059 -0.225 0.000 1.244 585 L HN 0.678 nan 8.230 nan 0.000 0.433 586 S N 1.624 117.163 115.700 -0.269 0.000 2.499 586 S HA 0.663 2.180 4.470 -4.922 0.000 0.279 586 S C -0.730 173.677 174.600 -0.322 0.000 1.219 586 S CA -0.616 57.470 58.200 -0.190 0.000 1.062 586 S CB 0.911 64.041 63.200 -0.117 0.000 0.978 586 S HN 0.273 nan 8.310 nan 0.000 0.489 587 Y N 0.803 121.040 120.300 -0.106 0.000 2.587 587 Y HA 0.776 2.369 4.550 -4.928 0.000 0.337 587 Y C 0.003 175.821 175.900 -0.136 0.000 1.065 587 Y CA -1.233 56.807 58.100 -0.101 0.000 1.126 587 Y CB 1.858 40.271 38.460 -0.078 0.000 1.279 587 Y HN 0.670 nan 8.280 nan 0.000 0.489 588 V N 1.806 121.735 119.914 0.025 0.000 2.752 588 V HA 0.318 1.485 4.120 -4.922 0.000 0.302 588 V C -1.365 174.687 176.094 -0.071 0.000 1.133 588 V CA -0.687 61.557 62.300 -0.092 0.000 0.919 588 V CB 1.694 33.398 31.823 -0.199 0.000 1.026 588 V HN 0.844 nan 8.190 nan 0.000 0.429 589 D N 4.186 124.531 120.400 -0.092 0.000 2.425 589 D HA 0.169 1.855 4.640 -4.922 0.000 0.247 589 D C 1.100 177.365 176.300 -0.057 0.000 1.147 589 D CA 0.340 54.304 54.000 -0.059 0.000 0.879 589 D CB 2.124 42.889 40.800 -0.059 0.000 1.179 589 D HN 0.391 nan 8.370 nan 0.000 0.456 590 V N 4.750 124.671 119.914 0.012 0.000 2.427 590 V HA -0.173 0.994 4.120 -4.922 0.000 0.248 590 V C 2.431 178.625 176.094 0.167 0.000 1.051 590 V CA 1.542 63.901 62.300 0.098 0.000 1.048 590 V CB -0.451 31.421 31.823 0.083 0.000 0.666 590 V HN 0.558 nan 8.190 nan 0.000 0.456 591 K N 0.649 121.104 120.400 0.092 0.000 2.044 591 K HA -0.128 1.239 4.320 -4.922 0.000 0.204 591 K C 2.251 178.918 176.600 0.111 0.000 1.049 591 K CA 1.761 58.106 56.287 0.098 0.000 0.945 591 K CB -0.179 32.349 32.500 0.048 0.000 0.724 591 K HN 0.650 nan 8.250 nan 0.000 0.440 592 T N -3.351 111.229 114.554 0.043 0.000 3.054 592 T HA 0.148 1.545 4.350 -4.922 0.000 0.259 592 T C 1.207 175.876 174.700 -0.051 0.000 1.092 592 T CA 0.440 62.548 62.100 0.015 0.000 1.121 592 T CB 0.144 69.001 68.868 -0.018 0.000 0.912 592 T HN 0.332 nan 8.240 nan 0.000 0.489 593 G N 1.716 110.400 108.800 -0.193 0.000 2.246 593 G HA2 -0.272 0.735 3.960 -4.922 0.000 0.273 593 G HA3 -0.272 0.735 3.960 -4.922 0.000 0.273 593 G C -0.205 174.432 174.900 -0.438 0.000 1.055 593 G CA 0.310 45.041 45.100 -0.615 0.000 0.851 593 G HN 0.833 nan 8.290 nan 0.000 0.500 594 K N 0.087 120.309 120.400 -0.297 0.000 2.183 594 K HA 0.559 1.926 4.320 -4.922 0.000 0.274 594 K C 0.253 176.662 176.600 -0.319 0.000 1.009 594 K CA -0.767 55.356 56.287 -0.274 0.000 0.888 594 K CB 1.198 33.608 32.500 -0.150 0.000 1.078 594 K HN 0.036 nan 8.250 nan 0.000 0.459 595 V N 4.422 124.050 119.914 -0.478 0.000 2.284 595 V HA 0.115 1.282 4.120 -4.922 0.000 0.260 595 V C -0.220 175.756 176.094 -0.197 0.000 1.084 595 V CA -0.711 61.339 62.300 -0.416 0.000 0.894 595 V CB 0.229 31.616 31.823 -0.726 0.000 1.119 595 V HN 0.808 nan 8.190 nan 0.000 0.484 596 S N 6.462 122.111 115.700 -0.085 0.000 2.457 596 S HA 0.865 2.382 4.470 -4.922 0.000 0.289 596 S C -0.590 174.049 174.600 0.064 0.000 1.163 596 S CA -0.732 57.459 58.200 -0.015 0.000 1.078 596 S CB 1.383 64.557 63.200 -0.043 0.000 0.987 596 S HN 0.603 nan 8.310 nan 0.000 0.482 597 L N 0.256 121.510 121.223 0.051 0.000 2.333 597 L HA 0.883 2.270 4.340 -4.922 0.000 0.263 597 L C -0.459 176.380 176.870 -0.052 0.000 1.014 597 L CA -1.075 53.780 54.840 0.026 0.000 0.820 597 L CB 1.395 43.403 42.059 -0.084 0.000 1.352 597 L HN 0.592 nan 8.230 nan 0.000 0.421 598 E N -0.380 119.739 120.200 -0.136 0.000 2.447 598 E HA 0.658 2.055 4.350 -4.922 0.000 0.258 598 E C -1.839 174.444 176.600 -0.529 0.000 0.916 598 E CA -0.787 55.527 56.400 -0.144 0.000 0.846 598 E CB 2.039 31.817 29.700 0.130 0.000 1.517 598 E HN 0.517 nan 8.360 nan 0.000 0.418 599 Y N -0.406 119.941 120.300 0.078 0.000 2.534 599 Y HA 0.464 2.097 4.550 -4.862 0.000 0.345 599 Y C -0.606 175.380 175.900 0.143 0.000 1.031 599 Y CA -1.102 57.055 58.100 0.095 0.000 1.022 599 Y CB 2.034 40.515 38.460 0.034 0.000 1.292 599 Y HN 0.401 nan 8.280 nan 0.000 0.459 600 R N 0.904 121.599 120.500 0.325 0.000 2.771 600 R HA 0.746 2.133 4.340 -4.922 0.000 0.274 600 R C -3.513 173.013 176.300 0.376 0.000 0.987 600 R CA -2.251 54.012 56.100 0.272 0.000 0.908 600 R CB 2.299 32.614 30.300 0.026 0.000 1.213 600 R HN 0.211 nan 8.270 nan 0.000 0.468 601 P HA 0.002 nan 4.420 nan 0.000 0.272 601 P C 0.037 177.424 177.300 0.146 0.000 1.223 601 P CA -0.604 62.647 63.100 0.251 0.000 0.784 601 P CB 0.655 32.407 31.700 0.086 0.000 0.923 602 V N 0.299 120.230 119.914 0.029 0.000 3.185 602 V HA 0.280 1.447 4.120 -4.922 0.000 0.305 602 V C 0.184 176.360 176.094 0.136 0.000 1.090 602 V CA -0.321 61.976 62.300 -0.004 0.000 1.107 602 V CB -0.138 31.633 31.823 -0.087 0.000 1.061 602 V HN 0.245 nan 8.190 nan 0.000 0.480 603 I N 2.005 122.681 120.570 0.177 0.000 2.331 603 I HA 0.370 1.587 4.170 -4.922 0.000 0.292 603 I C 0.334 176.554 176.117 0.170 0.000 0.998 603 I CA -0.153 61.246 61.300 0.166 0.000 1.267 603 I CB 1.317 39.420 38.000 0.171 0.000 1.386 603 I HN 0.672 nan 8.210 nan 0.000 0.476 604 D N 3.841 124.340 120.400 0.164 0.000 2.431 604 D HA 0.001 1.688 4.640 -4.922 0.000 0.235 604 D C 0.499 176.911 176.300 0.187 0.000 0.980 604 D CA 0.540 54.651 54.000 0.186 0.000 0.912 604 D CB 0.267 41.172 40.800 0.175 0.000 1.056 604 D HN 0.497 nan 8.370 nan 0.000 0.494 605 K N 1.809 122.296 120.400 0.146 0.000 2.489 605 K HA 0.151 1.518 4.320 -4.922 0.000 0.278 605 K C 0.488 177.163 176.600 0.125 0.000 1.000 605 K CA 0.100 56.460 56.287 0.121 0.000 1.012 605 K CB 0.390 32.941 32.500 0.084 0.000 0.903 605 K HN -0.054 nan 8.250 nan 0.000 0.485 606 T N 0.196 114.825 114.554 0.126 0.000 2.814 606 T HA 0.170 1.567 4.350 -4.922 0.000 0.284 606 T C 1.202 175.877 174.700 -0.041 0.000 0.998 606 T CA -0.868 61.310 62.100 0.129 0.000 0.935 606 T CB 0.476 69.481 68.868 0.228 0.000 1.167 606 T HN 0.589 nan 8.240 nan 0.000 0.545 607 L N 0.035 121.074 121.223 -0.307 0.000 2.291 607 L HA 0.239 1.626 4.340 -4.922 0.000 0.214 607 L C 0.871 177.576 176.870 -0.274 0.000 1.120 607 L CA 0.842 55.368 54.840 -0.523 0.000 0.799 607 L CB -0.263 41.208 42.059 -0.979 0.000 0.925 607 L HN 0.742 nan 8.230 nan 0.000 0.446 608 N N -1.471 117.196 118.700 -0.056 0.000 2.578 608 N HA 0.008 1.795 4.740 -4.922 0.000 0.282 608 N C 0.303 175.888 175.510 0.126 0.000 1.119 608 N CA -0.137 52.959 53.050 0.078 0.000 0.948 608 N CB 1.064 39.625 38.487 0.123 0.000 1.546 608 N HN -0.141 nan 8.380 nan 0.000 0.525 609 E N 3.034 123.273 120.200 0.066 0.000 2.072 609 E HA 0.004 1.401 4.350 -4.922 0.000 0.191 609 E C 1.553 178.171 176.600 0.029 0.000 0.985 609 E CA 1.945 58.373 56.400 0.048 0.000 0.801 609 E CB 0.026 29.750 29.700 0.039 0.000 0.750 609 E HN 0.655 nan 8.360 nan 0.000 0.452 610 A N -0.061 122.779 122.820 0.033 0.000 2.067 610 A HA -0.112 1.255 4.320 -4.922 0.000 0.219 610 A C 1.872 179.468 177.584 0.020 0.000 1.158 610 A CA 1.740 53.790 52.037 0.021 0.000 0.661 610 A CB -0.422 18.593 19.000 0.024 0.000 0.801 610 A HN 0.345 nan 8.150 nan 0.000 0.452 611 D N -2.430 118.002 120.400 0.053 0.000 2.323 611 D HA 0.057 1.744 4.640 -4.922 0.000 0.218 611 D C 0.026 176.295 176.300 -0.052 0.000 0.973 611 D CA 0.742 54.780 54.000 0.063 0.000 0.890 611 D CB 0.410 41.324 40.800 0.190 0.000 1.011 611 D HN 0.241 nan 8.370 nan 0.000 0.499 612 C N 1.291 120.547 119.300 -0.072 0.000 2.679 612 C HA 0.803 2.310 4.460 -4.922 0.000 0.354 612 C C -0.354 174.515 174.990 -0.201 0.000 1.067 612 C CA -0.746 58.087 59.018 -0.307 0.000 1.317 612 C CB -0.441 26.886 27.740 -0.689 0.000 1.843 612 C HN 0.339 nan 8.230 nan 0.000 0.459 613 A N 4.714 127.459 122.820 -0.126 0.000 2.425 613 A HA 0.549 1.916 4.320 -4.922 0.000 0.249 613 A C 0.652 178.309 177.584 0.121 0.000 1.084 613 A CA 0.353 52.386 52.037 -0.007 0.000 0.781 613 A CB 0.195 19.180 19.000 -0.025 0.000 1.019 613 A HN 0.893 nan 8.150 nan 0.000 0.490 614 T N 1.892 116.546 114.554 0.166 0.000 2.902 614 T HA 0.300 1.697 4.350 -4.922 0.000 0.301 614 T C 0.149 175.032 174.700 0.306 0.000 1.012 614 T CA 0.109 62.378 62.100 0.282 0.000 1.151 614 T CB 0.266 69.257 68.868 0.204 0.000 0.946 614 T HN 0.395 nan 8.240 nan 0.000 0.542 615 V N 7.967 128.133 119.914 0.419 0.000 2.334 615 V HA 0.249 1.416 4.120 -4.922 0.000 0.267 615 V C -1.985 174.362 176.094 0.423 0.000 1.040 615 V CA -1.942 60.607 62.300 0.416 0.000 0.866 615 V CB 0.626 32.740 31.823 0.484 0.000 1.019 615 V HN 0.714 nan 8.190 nan 0.000 0.468 616 P HA 0.235 nan 4.420 nan 0.000 0.272 616 P C -2.595 174.396 177.300 -0.515 0.000 1.223 616 P CA -1.377 61.694 63.100 -0.048 0.000 0.784 616 P CB -0.124 31.563 31.700 -0.021 0.000 0.923 617 P HA 0.145 nan 4.420 nan 0.000 0.265 617 P C -0.646 175.711 177.300 -1.572 0.000 1.187 617 P CA 0.886 62.656 63.100 -2.217 0.000 0.766 617 P CB 0.261 30.777 31.700 -1.974 0.000 0.820 618 A N 2.858 124.702 122.820 -1.626 0.000 2.524 618 A HA 0.650 2.017 4.320 -4.922 0.000 0.289 618 A C -0.619 176.736 177.584 -0.382 0.000 1.248 618 A CA -0.841 50.799 52.037 -0.663 0.000 0.712 618 A CB 0.451 19.253 19.000 -0.329 0.000 1.312 618 A HN 0.417 nan 8.150 nan 0.000 0.441 619 I N 0.255 120.753 120.570 -0.121 0.000 2.752 619 I HA 0.293 1.510 4.170 -4.922 0.000 0.287 619 I C 0.648 176.796 176.117 0.053 0.000 1.188 619 I CA 0.225 61.515 61.300 -0.015 0.000 1.427 619 I CB 0.327 38.332 38.000 0.009 0.000 1.365 619 I HN 0.560 nan 8.210 nan 0.000 0.585 620 R N 4.794 125.348 120.500 0.090 0.000 2.287 620 R HA 0.474 1.861 4.340 -4.922 0.000 0.316 620 R C -1.429 174.928 176.300 0.094 0.000 1.050 620 R CA -0.310 55.871 56.100 0.136 0.000 0.983 620 R CB 0.582 30.998 30.300 0.193 0.000 1.140 620 R HN 0.777 nan 8.270 nan 0.000 0.528 621 S N 2.289 118.018 115.700 0.048 0.000 2.586 621 S HA 0.323 1.840 4.470 -4.922 0.000 0.296 621 S C -1.178 173.423 174.600 0.002 0.000 1.120 621 S CA -0.937 57.302 58.200 0.065 0.000 0.927 621 S CB 0.068 63.307 63.200 0.065 0.000 1.114 621 S HN 0.347 nan 8.310 nan 0.000 0.453 622 Y N 0.000 120.322 120.300 0.037 0.000 2.660 622 Y HA 0.000 1.596 4.550 -4.924 0.000 0.201 622 Y CA 0.000 58.115 58.100 0.025 0.000 1.940 622 Y CB 0.000 38.461 38.460 0.001 0.000 1.050 622 Y HN 0.000 nan 8.280 nan 0.000 0.758