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 1u1j_1_A DATA FIRST_RESID 2 DATA SEQUENCE ASHIVGYPRX GPKRELKFAL ESFWDGKSTA EDLQKVSADL RSSIWKQXSA DATA SEQUENCE AGTKFIPSNT FAHYDQVLDT TAXLGAVPPR YGYTGGEIGL DVYFSXARGN DATA SEQUENCE ASVPAXEXTK WFDTNYHYIV PELGPEVNFS YASHKAVNEY KEAKALGVDT DATA SEQUENCE VPVLVGPVSY LLLSKAAKGV DKSFELLSLL PKILPIYKEV ITELKAAGAT DATA SEQUENCE WIQLDEPVLV XDLEGQKLQA FTGAYAELES TLSGLNVLVE TYFADIPAEA DATA SEQUENCE YKTLTSLKGV TAFGFDLVRG TKTLDLVKAG FPEGKYLFAG VVDGRNIWAN DATA SEQUENCE DFAASLSTLQ ALEGIVGKDK LVVSTSCSLL HTAVDLINET KLDDEIKSWX DATA SEQUENCE AFAAQKVVEV NALAKALAGQ KDEALFSANA AALASRRSSP RVTNEGVQKA DATA SEQUENCE AAALKGSDHR RATNVSARLD AQQKKLNLPI LPTTTIGSFP QTVELRXXXX DATA SEQUENCE XXXXXXXXXE DYVKAIKEEI KKVVDLQEEL DIDVLVHGEP ERNDXVEYFG DATA SEQUENCE EQLSGFAFTA NGWVQSYGSR CVKPPVIYGD VSRPKAXTVF WSAXAQSXTS DATA SEQUENCE RPXKGXLTGP VTILNWSFVR NDQPRHETCY QIALAIKDEV EDLEKGGIGV DATA SEQUENCE IQIDEAALRE GLPLRKSEHA FYLDWAVHSF RITNCGVQDS TQIHTHXCYS DATA SEQUENCE HFNDIIHSII DXDADVITIE NSRSDEKLLS VFREGVKYGA GIGPGVYDIH DATA SEQUENCE SPRIPSSEEI ADRVNKXLAV LEQNILWVNP DCGLKTRKYT EVKPALKNXV DATA SEQUENCE DAAKLIRSQ 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.564 177.584 -0.034 0.000 1.274 2 A CA 0.000 52.007 52.037 -0.050 0.000 0.836 2 A CB 0.000 18.902 19.000 -0.163 0.000 0.831 3 S N -0.058 115.617 115.700 -0.041 0.000 2.566 3 S HA 0.848 5.318 4.470 0.001 0.000 0.298 3 S C -0.760 173.961 174.600 0.202 0.000 1.083 3 S CA -0.324 57.894 58.200 0.030 0.000 0.978 3 S CB 1.626 64.816 63.200 -0.016 0.000 1.073 3 S HN 1.416 nan 8.310 nan 0.000 0.491 4 H N 0.266 119.393 119.070 0.094 0.000 3.046 4 H HA 0.587 5.144 4.556 0.000 0.000 0.363 4 H C -2.301 173.118 175.328 0.151 0.000 1.203 4 H CA -0.718 55.445 56.048 0.192 0.000 1.169 4 H CB 1.445 31.346 29.762 0.230 0.000 1.851 4 H HN 0.579 nan 8.280 nan 0.000 0.546 5 I N 4.798 125.037 120.570 -0.552 0.000 2.447 5 I HA 0.043 4.213 4.170 0.001 0.000 0.287 5 I C 1.342 177.101 176.117 -0.597 0.000 1.023 5 I CA -0.419 60.654 61.300 -0.379 0.000 1.083 5 I CB 1.763 39.719 38.000 -0.073 0.000 1.245 5 I HN 0.542 nan 8.210 nan 0.000 0.434 6 V N 4.802 124.514 119.914 -0.337 0.000 2.626 6 V HA 0.408 4.529 4.120 0.001 0.000 0.252 6 V C 0.710 176.814 176.094 0.017 0.000 1.067 6 V CA 1.756 64.023 62.300 -0.055 0.000 1.081 6 V CB -0.617 31.295 31.823 0.147 0.000 0.686 6 V HN 0.837 nan 8.190 nan 0.000 0.468 7 G N -2.086 106.714 108.800 0.000 0.000 2.451 7 G HA2 0.506 4.466 3.960 0.001 0.000 0.292 7 G HA3 0.506 4.466 3.960 0.001 0.000 0.292 7 G C -2.332 172.618 174.900 0.084 0.000 1.427 7 G CA -0.304 44.817 45.100 0.035 0.000 0.792 7 G HN 0.325 nan 8.290 nan 0.000 0.498 8 Y N -0.186 120.060 120.300 -0.090 0.000 2.571 8 Y HA 0.632 5.182 4.550 0.001 0.000 0.341 8 Y C -2.416 173.405 175.900 -0.133 0.000 1.076 8 Y CA -1.645 56.398 58.100 -0.094 0.000 1.029 8 Y CB 2.723 41.147 38.460 -0.060 0.000 1.308 8 Y HN 0.507 nan 8.280 nan 0.000 0.461 9 P HA 0.203 nan 4.420 nan 0.000 0.269 9 P C -1.112 176.141 177.300 -0.079 0.000 1.215 9 P CA -0.070 62.849 63.100 -0.302 0.000 0.780 9 P CB 0.492 31.964 31.700 -0.379 0.000 0.898 13 P HA -0.045 nan 4.420 nan 0.000 0.217 13 P C 0.901 178.260 177.300 0.098 0.000 1.148 13 P CA 1.208 64.364 63.100 0.093 0.000 0.828 13 P CB 0.285 32.036 31.700 0.084 0.000 0.783 14 K N -1.140 119.304 120.400 0.073 0.000 2.896 14 K HA 0.264 4.585 4.320 0.001 0.000 0.210 14 K C -0.155 176.474 176.600 0.048 0.000 1.116 14 K CA -0.334 56.002 56.287 0.082 0.000 1.050 14 K CB 0.461 33.019 32.500 0.095 0.000 0.812 14 K HN 0.037 nan 8.250 nan 0.000 0.462 15 R N 0.643 121.108 120.500 -0.060 0.000 3.516 15 R HA -0.217 4.123 4.340 0.001 0.000 0.271 15 R C 0.344 176.518 176.300 -0.210 0.000 1.098 15 R CA 0.582 56.540 56.100 -0.237 0.000 0.732 15 R CB -1.595 28.388 30.300 -0.528 0.000 1.152 15 R HN 0.298 nan 8.270 nan 0.000 0.455 16 E N 0.482 120.668 120.200 -0.023 0.000 2.070 16 E HA -0.211 4.139 4.350 0.001 0.000 0.197 16 E C 1.769 178.353 176.600 -0.026 0.000 1.004 16 E CA 1.653 58.083 56.400 0.050 0.000 0.805 16 E CB -0.060 29.668 29.700 0.047 0.000 0.744 16 E HN 0.381 nan 8.360 nan 0.000 0.451 17 L N 1.162 122.344 121.223 -0.068 0.000 2.191 17 L HA -0.148 4.192 4.340 0.001 0.000 0.212 17 L C 2.021 178.758 176.870 -0.222 0.000 1.103 17 L CA 1.731 56.524 54.840 -0.078 0.000 0.769 17 L CB -0.267 41.786 42.059 -0.011 0.000 0.908 17 L HN 0.001 nan 8.230 nan 0.000 0.438 18 K N -1.055 119.120 120.400 -0.376 0.000 2.026 18 K HA -0.203 4.117 4.320 0.001 0.000 0.208 18 K C 1.948 178.222 176.600 -0.544 0.000 1.048 18 K CA 1.902 57.856 56.287 -0.556 0.000 0.929 18 K CB -0.286 31.697 32.500 -0.862 0.000 0.713 18 K HN 0.310 nan 8.250 nan 0.000 0.439 19 F N 0.702 120.559 119.950 -0.156 0.000 2.293 19 F HA 0.109 4.636 4.527 0.001 0.000 0.297 19 F C 2.420 178.131 175.800 -0.148 0.000 1.089 19 F CA 0.686 58.604 58.000 -0.136 0.000 1.377 19 F CB -0.703 38.231 39.000 -0.109 0.000 1.051 19 F HN 0.109 nan 8.300 nan 0.000 0.511 20 A N 0.424 123.230 122.820 -0.024 0.000 1.898 20 A HA -0.082 4.239 4.320 0.001 0.000 0.216 20 A C 2.265 179.713 177.584 -0.227 0.000 1.181 20 A CA 1.248 53.239 52.037 -0.076 0.000 0.620 20 A CB -1.023 17.939 19.000 -0.064 0.000 0.819 20 A HN 0.347 nan 8.150 nan 0.000 0.442 21 L N -0.898 120.073 121.223 -0.421 0.000 1.976 21 L HA -0.224 4.116 4.340 0.001 0.000 0.209 21 L C 2.671 178.886 176.870 -1.092 0.000 1.071 21 L CA 1.921 56.199 54.840 -0.937 0.000 0.746 21 L CB -0.631 40.765 42.059 -1.104 0.000 0.890 21 L HN 0.444 nan 8.230 nan 0.000 0.432 22 E N -0.660 119.201 120.200 -0.565 0.000 2.085 22 E HA -0.243 4.107 4.350 0.001 0.000 0.194 22 E C 2.325 178.921 176.600 -0.006 0.000 0.994 22 E CA 1.520 57.886 56.400 -0.055 0.000 0.801 22 E CB -0.073 29.675 29.700 0.080 0.000 0.743 22 E HN 0.311 nan 8.360 nan 0.000 0.453 23 S N -0.052 115.624 115.700 -0.041 0.000 2.348 23 S HA -0.206 4.264 4.470 0.001 0.000 0.221 23 S C 1.798 176.395 174.600 -0.005 0.000 1.033 23 S CA 1.220 59.422 58.200 0.002 0.000 1.010 23 S CB -0.370 62.840 63.200 0.017 0.000 0.891 23 S HN 0.375 nan 8.310 nan 0.000 0.442 24 F N 1.460 121.289 119.950 -0.200 0.000 2.095 24 F HA -0.080 4.447 4.527 0.000 0.000 0.298 24 F C 1.865 177.624 175.800 -0.068 0.000 1.104 24 F CA 1.807 59.701 58.000 -0.177 0.000 1.232 24 F CB -0.608 38.208 39.000 -0.307 0.000 0.987 24 F HN 0.335 nan 8.300 nan 0.000 0.475 25 W N 1.145 122.311 121.300 -0.223 0.000 2.374 25 W HA -0.158 4.502 4.660 0.001 0.000 0.288 25 W C 2.073 178.440 176.519 -0.253 0.000 1.218 25 W CA 1.240 58.396 57.345 -0.314 0.000 1.245 25 W CB -1.226 28.119 29.460 -0.192 0.000 1.126 25 W HN 0.162 nan 8.180 nan 0.000 0.545 26 D N -1.565 118.861 120.400 0.044 0.000 2.213 26 D HA 0.067 4.707 4.640 0.001 0.000 0.205 26 D C 2.095 178.362 176.300 -0.056 0.000 0.961 26 D CA 1.876 55.879 54.000 0.006 0.000 0.853 26 D CB -0.169 40.647 40.800 0.026 0.000 0.967 26 D HN 0.218 nan 8.370 nan 0.000 0.496 27 G N 0.844 109.579 108.800 -0.107 0.000 2.168 27 G HA2 -0.254 3.706 3.960 0.001 0.000 0.197 27 G HA3 -0.254 3.706 3.960 0.001 0.000 0.197 27 G C 0.881 175.749 174.900 -0.053 0.000 0.997 27 G CA 0.073 45.105 45.100 -0.114 0.000 0.658 27 G HN 0.298 nan 8.290 nan 0.000 0.513 28 K N 0.600 120.982 120.400 -0.030 0.000 2.525 28 K HA 0.312 4.633 4.320 0.001 0.000 0.192 28 K C 0.984 177.589 176.600 0.008 0.000 1.029 28 K CA 0.951 57.233 56.287 -0.008 0.000 1.029 28 K CB 0.124 32.622 32.500 -0.003 0.000 0.814 28 K HN 0.719 nan 8.250 nan 0.000 0.503 29 S N -1.028 114.685 115.700 0.022 0.000 2.615 29 S HA 0.325 4.795 4.470 0.001 0.000 0.269 29 S C -0.331 174.348 174.600 0.132 0.000 1.161 29 S CA -1.096 57.144 58.200 0.067 0.000 0.817 29 S CB 1.616 64.863 63.200 0.078 0.000 1.131 29 S HN 0.110 nan 8.310 nan 0.000 0.467 30 T N -1.743 112.908 114.554 0.163 0.000 2.923 30 T HA 0.779 5.130 4.350 0.001 0.000 0.281 30 T C 1.571 176.461 174.700 0.317 0.000 0.995 30 T CA -0.358 61.886 62.100 0.240 0.000 0.985 30 T CB 0.863 69.813 68.868 0.136 0.000 1.114 30 T HN 1.346 nan 8.240 nan 0.000 0.548 31 A N 0.286 123.302 122.820 0.328 0.000 1.908 31 A HA -0.111 4.210 4.320 0.001 0.000 0.218 31 A C 2.199 179.757 177.584 -0.042 0.000 1.181 31 A CA 1.774 53.829 52.037 0.030 0.000 0.627 31 A CB -1.134 17.919 19.000 0.089 0.000 0.818 31 A HN 0.958 nan 8.150 nan 0.000 0.445 32 E N -0.123 120.092 120.200 0.025 0.000 2.110 32 E HA -0.186 4.164 4.350 0.001 0.000 0.193 32 E C 1.300 177.897 176.600 -0.005 0.000 0.988 32 E CA 1.171 57.574 56.400 0.004 0.000 0.804 32 E CB -0.269 29.443 29.700 0.019 0.000 0.745 32 E HN 0.622 nan 8.360 nan 0.000 0.458 33 D N 0.963 121.372 120.400 0.015 0.000 2.178 33 D HA -0.124 4.517 4.640 0.001 0.000 0.202 33 D C 2.093 178.382 176.300 -0.019 0.000 0.974 33 D CA 0.512 54.518 54.000 0.010 0.000 0.841 33 D CB -0.059 40.763 40.800 0.037 0.000 0.953 33 D HN 0.167 nan 8.370 nan 0.000 0.478 34 L N 0.907 122.094 121.223 -0.061 0.000 2.005 34 L HA -0.182 4.158 4.340 0.001 0.000 0.207 34 L C 2.368 179.199 176.870 -0.064 0.000 1.072 34 L CA 1.187 55.948 54.840 -0.132 0.000 0.744 34 L CB -0.112 41.721 42.059 -0.376 0.000 0.895 34 L HN -0.054 nan 8.230 nan 0.000 0.433 35 Q N -0.055 119.710 119.800 -0.058 0.000 2.226 35 Q HA -0.261 4.080 4.340 0.001 0.000 0.204 35 Q C 1.956 177.932 176.000 -0.040 0.000 0.975 35 Q CA 1.420 57.211 55.803 -0.021 0.000 0.866 35 Q CB -0.241 28.480 28.738 -0.028 0.000 0.915 35 Q HN 0.356 nan 8.270 nan 0.000 0.440 36 K N 0.825 121.204 120.400 -0.035 0.000 2.001 36 K HA -0.074 4.246 4.320 0.001 0.000 0.208 36 K C 1.984 178.557 176.600 -0.044 0.000 1.048 36 K CA 1.166 57.431 56.287 -0.037 0.000 0.932 36 K CB -0.500 31.986 32.500 -0.023 0.000 0.715 36 K HN -0.012 nan 8.250 nan 0.000 0.437 37 V N 0.975 120.872 119.914 -0.029 0.000 2.332 37 V HA -0.262 3.858 4.120 0.001 0.000 0.248 37 V C 2.243 178.315 176.094 -0.036 0.000 1.055 37 V CA 2.187 64.475 62.300 -0.020 0.000 1.038 37 V CB -0.672 31.150 31.823 -0.000 0.000 0.651 37 V HN 0.362 nan 8.190 nan 0.000 0.450 38 S N 0.359 116.039 115.700 -0.033 0.000 2.345 38 S HA -0.140 4.330 4.470 0.001 0.000 0.220 38 S C 2.222 176.590 174.600 -0.388 0.000 1.031 38 S CA 1.408 59.517 58.200 -0.152 0.000 0.996 38 S CB -0.560 62.623 63.200 -0.030 0.000 0.882 38 S HN 0.655 nan 8.310 nan 0.000 0.445 39 A N 1.837 124.498 122.820 -0.265 0.000 2.019 39 A HA -0.145 4.175 4.320 0.001 0.000 0.219 39 A C 1.743 179.209 177.584 -0.197 0.000 1.164 39 A CA 1.491 53.383 52.037 -0.241 0.000 0.644 39 A CB -0.488 18.434 19.000 -0.129 0.000 0.805 39 A HN 0.378 nan 8.150 nan 0.000 0.449 40 D N -0.421 119.890 120.400 -0.149 0.000 2.103 40 D HA -0.092 4.549 4.640 0.001 0.000 0.199 40 D C 1.844 178.061 176.300 -0.139 0.000 0.978 40 D CA 0.891 54.827 54.000 -0.108 0.000 0.829 40 D CB -0.355 40.405 40.800 -0.065 0.000 0.981 40 D HN 0.298 nan 8.370 nan 0.000 0.464 41 L N 1.630 122.760 121.223 -0.155 0.000 2.012 41 L HA -0.134 4.207 4.340 0.001 0.000 0.210 41 L C 2.347 179.047 176.870 -0.283 0.000 1.073 41 L CA 1.578 56.333 54.840 -0.142 0.000 0.748 41 L CB -0.481 41.549 42.059 -0.048 0.000 0.891 41 L HN -0.093 nan 8.230 nan 0.000 0.431 42 R N -1.437 118.766 120.500 -0.494 0.000 2.083 42 R HA -0.171 4.169 4.340 0.001 0.000 0.237 42 R C 2.478 178.299 176.300 -0.798 0.000 1.137 42 R CA 1.535 57.097 56.100 -0.897 0.000 0.951 42 R CB -0.716 28.885 30.300 -1.165 0.000 0.851 42 R HN 0.438 nan 8.270 nan 0.000 0.434 43 S N 0.673 116.179 115.700 -0.323 0.000 2.359 43 S HA -0.181 4.290 4.470 0.001 0.000 0.224 43 S C 2.083 176.671 174.600 -0.019 0.000 1.035 43 S CA 2.041 60.240 58.200 -0.000 0.000 1.018 43 S CB -0.225 62.982 63.200 0.012 0.000 0.876 43 S HN 0.496 nan 8.310 nan 0.000 0.448 44 S N 1.710 117.354 115.700 -0.093 0.000 2.382 44 S HA -0.022 4.449 4.470 0.001 0.000 0.228 44 S C 1.889 176.422 174.600 -0.111 0.000 1.027 44 S CA 1.105 59.262 58.200 -0.071 0.000 0.991 44 S CB -0.685 62.478 63.200 -0.062 0.000 0.823 44 S HN 0.503 nan 8.310 nan 0.000 0.469 45 I N 0.576 121.012 120.570 -0.223 0.000 2.179 45 I HA -0.100 4.070 4.170 0.001 0.000 0.242 45 I C 2.505 178.472 176.117 -0.250 0.000 1.088 45 I CA 1.027 62.117 61.300 -0.350 0.000 1.357 45 I CB -1.530 36.169 38.000 -0.503 0.000 1.051 45 I HN 0.372 nan 8.210 nan 0.000 0.409 46 W N 1.927 123.121 121.300 -0.176 0.000 2.353 46 W HA -0.161 4.499 4.660 0.000 0.000 0.319 46 W C 2.679 179.117 176.519 -0.134 0.000 1.207 46 W CA 0.864 58.119 57.345 -0.151 0.000 1.291 46 W CB -1.222 28.166 29.460 -0.121 0.000 1.159 46 W HN 0.192 nan 8.180 nan 0.000 0.478 47 K N 0.085 120.572 120.400 0.145 0.000 2.113 47 K HA -0.201 4.119 4.320 0.001 0.000 0.208 47 K C 1.454 178.055 176.600 0.002 0.000 1.047 47 K CA 1.049 57.365 56.287 0.049 0.000 0.928 47 K CB -0.393 32.125 32.500 0.031 0.000 0.716 47 K HN 0.185 nan 8.250 nan 0.000 0.446 51 A N 1.663 124.466 122.820 -0.027 0.000 2.070 51 A HA 0.403 4.724 4.320 0.001 0.000 0.220 51 A C 2.083 179.655 177.584 -0.021 0.000 1.159 51 A CA 1.966 53.989 52.037 -0.023 0.000 0.656 51 A CB -0.934 18.056 19.000 -0.017 0.000 0.800 51 A HN 1.122 nan 8.150 nan 0.000 0.453 52 A N -1.849 120.958 122.820 -0.022 0.000 2.167 52 A HA 0.379 4.699 4.320 0.001 0.000 0.214 52 A C 1.834 179.404 177.584 -0.023 0.000 1.151 52 A CA 1.347 53.375 52.037 -0.016 0.000 0.735 52 A CB -0.756 18.237 19.000 -0.012 0.000 0.802 52 A HN 1.852 nan 8.150 nan 0.000 0.467 53 G N -1.776 107.002 108.800 -0.037 0.000 2.144 53 G HA2 -0.192 3.768 3.960 0.001 0.000 0.218 53 G HA3 -0.192 3.768 3.960 0.001 0.000 0.218 53 G C 0.253 175.110 174.900 -0.071 0.000 0.988 53 G CA 0.177 45.247 45.100 -0.050 0.000 0.659 53 G HN 0.590 nan 8.290 nan 0.000 0.522 54 T N 0.930 115.444 114.554 -0.066 0.000 2.817 54 T HA 0.354 4.704 4.350 0.001 0.000 0.295 54 T C 1.467 176.081 174.700 -0.144 0.000 0.958 54 T CA 0.800 62.856 62.100 -0.074 0.000 1.157 54 T CB 1.713 70.558 68.868 -0.037 0.000 0.898 54 T HN 0.449 nan 8.240 nan 0.000 0.536 55 K N 3.088 123.344 120.400 -0.241 0.000 2.007 55 K HA 0.050 4.371 4.320 0.001 0.000 0.206 55 K C -0.138 176.069 176.600 -0.655 0.000 1.047 55 K CA 1.208 57.180 56.287 -0.526 0.000 0.937 55 K CB 0.005 32.021 32.500 -0.806 0.000 0.718 55 K HN 0.524 nan 8.250 nan 0.000 0.438 56 F N 1.741 121.635 119.950 -0.094 0.000 2.308 56 F HA 0.407 4.934 4.527 0.001 0.000 0.370 56 F C -0.361 175.468 175.800 0.049 0.000 1.100 56 F CA -0.832 57.146 58.000 -0.037 0.000 1.108 56 F CB 0.670 39.700 39.000 0.050 0.000 1.293 56 F HN -0.161 nan 8.300 nan 0.000 0.478 57 I N 6.122 126.778 120.570 0.142 0.000 2.339 57 I HA 0.292 4.463 4.170 0.001 0.000 0.290 57 I C -2.124 174.102 176.117 0.182 0.000 0.994 57 I CA -2.340 59.032 61.300 0.121 0.000 1.191 57 I CB 1.646 39.679 38.000 0.056 0.000 1.343 57 I HN 0.269 nan 8.210 nan 0.000 0.458 58 P HA 0.007 nan 4.420 nan 0.000 0.268 58 P C -0.566 176.946 177.300 0.352 0.000 1.205 58 P CA -0.016 63.230 63.100 0.243 0.000 0.771 58 P CB 1.322 33.132 31.700 0.184 0.000 0.858 59 S N 2.315 118.206 115.700 0.318 0.000 2.513 59 S HA 0.430 4.900 4.470 0.001 0.000 0.299 59 S C 0.346 175.128 174.600 0.303 0.000 1.087 59 S CA -0.240 58.193 58.200 0.389 0.000 1.012 59 S CB -0.111 63.256 63.200 0.278 0.000 1.044 59 S HN 0.622 nan 8.310 nan 0.000 0.485 60 N N 1.055 119.946 118.700 0.318 0.000 2.901 60 N HA -0.158 4.582 4.740 0.001 0.000 0.248 60 N C 0.740 176.353 175.510 0.172 0.000 1.044 60 N CA 1.770 54.951 53.050 0.218 0.000 0.847 60 N CB -1.688 36.898 38.487 0.164 0.000 1.127 60 N HN 0.686 nan 8.380 nan 0.000 0.562 61 T N -3.286 111.376 114.554 0.180 0.000 3.014 61 T HA 0.078 4.429 4.350 0.001 0.000 0.263 61 T C 0.823 175.561 174.700 0.063 0.000 1.078 61 T CA 0.304 62.466 62.100 0.103 0.000 1.135 61 T CB -0.208 68.722 68.868 0.104 0.000 0.895 61 T HN 0.336 nan 8.240 nan 0.000 0.480 62 F N 3.140 123.060 119.950 -0.049 0.000 2.506 62 F HA 0.469 4.996 4.527 0.001 0.000 0.351 62 F C 0.083 175.830 175.800 -0.088 0.000 1.136 62 F CA -0.858 57.081 58.000 -0.103 0.000 1.298 62 F CB 0.139 39.028 39.000 -0.184 0.000 1.145 62 F HN 0.310 nan 8.300 nan 0.000 0.593 63 A N 4.416 126.626 122.820 -1.017 0.000 2.574 63 A HA 0.319 4.639 4.320 0.001 0.000 0.297 63 A C -0.414 176.757 177.584 -0.689 0.000 1.062 63 A CA -0.604 51.089 52.037 -0.575 0.000 0.686 63 A CB 0.563 19.471 19.000 -0.154 0.000 1.285 63 A HN 0.981 nan 8.150 nan 0.000 0.403 64 H N -0.333 118.621 119.070 -0.194 0.000 2.502 64 H HA 0.059 4.616 4.556 0.000 0.000 0.283 64 H C 0.804 176.373 175.328 0.401 0.000 1.015 64 H CA 2.331 58.429 56.048 0.084 0.000 1.298 64 H CB 0.371 30.279 29.762 0.243 0.000 1.411 64 H HN 0.750 nan 8.280 nan 0.000 0.556 65 Y N -1.169 119.395 120.300 0.441 0.000 3.147 65 Y HA 0.126 4.677 4.550 0.000 0.000 0.219 65 Y C -0.941 175.126 175.900 0.278 0.000 1.021 65 Y CA -0.150 58.186 58.100 0.395 0.000 1.440 65 Y CB 1.484 40.218 38.460 0.456 0.000 1.472 65 Y HN 0.020 nan 8.280 nan 0.000 0.408 66 D N -0.860 119.825 120.400 0.476 0.000 2.717 66 D HA 0.130 4.771 4.640 0.001 0.000 0.223 66 D C 0.201 176.666 176.300 0.273 0.000 1.240 66 D CA -0.273 53.946 54.000 0.365 0.000 0.801 66 D CB 1.212 42.276 40.800 0.439 0.000 1.556 66 D HN 0.147 nan 8.370 nan 0.000 0.462 67 Q N 1.795 121.684 119.800 0.150 0.000 2.230 67 Q HA -0.043 4.297 4.340 0.001 0.000 0.202 67 Q C 1.123 177.225 176.000 0.171 0.000 0.963 67 Q CA 1.326 57.189 55.803 0.099 0.000 0.866 67 Q CB -0.284 28.441 28.738 -0.022 0.000 0.931 67 Q HN 0.359 nan 8.270 nan 0.000 0.452 68 V N 1.654 121.702 119.914 0.223 0.000 2.488 68 V HA -0.155 3.965 4.120 0.001 0.000 0.246 68 V C 2.442 178.745 176.094 0.349 0.000 1.046 68 V CA 0.999 63.495 62.300 0.327 0.000 1.053 68 V CB -0.565 31.479 31.823 0.367 0.000 0.679 68 V HN 0.290 nan 8.190 nan 0.000 0.458 69 L N -0.042 121.362 121.223 0.302 0.000 2.131 69 L HA -0.184 4.156 4.340 0.001 0.000 0.210 69 L C 2.277 179.315 176.870 0.280 0.000 1.092 69 L CA 1.745 56.715 54.840 0.217 0.000 0.759 69 L CB -0.446 41.641 42.059 0.046 0.000 0.903 69 L HN 0.382 nan 8.230 nan 0.000 0.435 70 D N -0.502 120.087 120.400 0.315 0.000 2.117 70 D HA -0.181 4.459 4.640 0.001 0.000 0.197 70 D C 2.154 178.533 176.300 0.131 0.000 0.987 70 D CA 2.066 56.218 54.000 0.253 0.000 0.829 70 D CB -0.170 40.728 40.800 0.163 0.000 0.961 70 D HN 0.457 nan 8.370 nan 0.000 0.460 71 T N -2.162 112.453 114.554 0.102 0.000 2.821 71 T HA -0.099 4.251 4.350 0.001 0.000 0.267 71 T C 2.037 176.687 174.700 -0.083 0.000 1.046 71 T CA 1.614 63.675 62.100 -0.065 0.000 1.139 71 T CB -0.763 68.025 68.868 -0.132 0.000 0.871 71 T HN -0.072 nan 8.240 nan 0.000 0.454 72 T N 2.330 116.958 114.554 0.124 0.000 2.759 72 T HA 0.197 4.548 4.350 0.001 0.000 0.269 72 T C 1.316 176.082 174.700 0.110 0.000 1.042 72 T CA 0.991 63.211 62.100 0.200 0.000 1.140 72 T CB -0.736 68.293 68.868 0.268 0.000 0.864 72 T HN 0.783 nan 8.240 nan 0.000 0.455 76 G N 1.483 110.388 108.800 0.174 0.000 2.296 76 G HA2 -0.289 3.671 3.960 0.001 0.000 0.282 76 G HA3 -0.289 3.671 3.960 0.001 0.000 0.282 76 G C 0.572 175.579 174.900 0.179 0.000 1.014 76 G CA 0.617 45.818 45.100 0.168 0.000 0.812 76 G HN 0.633 nan 8.290 nan 0.000 0.508 77 A N -0.241 122.706 122.820 0.213 0.000 3.117 77 A HA 0.575 4.896 4.320 0.001 0.000 0.255 77 A C 0.997 178.654 177.584 0.122 0.000 1.583 77 A CA 0.493 52.656 52.037 0.210 0.000 1.234 77 A CB -0.169 19.100 19.000 0.448 0.000 1.076 77 A HN 1.866 nan 8.150 nan 0.000 0.653 78 V N -0.831 119.114 119.914 0.052 0.000 2.583 78 V HA 0.509 4.630 4.120 0.001 0.000 0.287 78 V C -2.597 173.597 176.094 0.168 0.000 1.051 78 V CA -2.011 60.316 62.300 0.046 0.000 1.010 78 V CB 0.736 32.481 31.823 -0.129 0.000 0.988 78 V HN 0.391 nan 8.190 nan 0.000 0.478 79 P HA 0.276 nan 4.420 nan 0.000 0.269 79 P C -2.206 175.207 177.300 0.189 0.000 1.215 79 P CA -1.108 62.117 63.100 0.208 0.000 0.780 79 P CB -0.012 31.828 31.700 0.235 0.000 0.898 80 P HA -0.196 nan 4.420 nan 0.000 0.215 80 P C 1.301 178.595 177.300 -0.010 0.000 1.157 80 P CA 1.597 64.719 63.100 0.036 0.000 0.874 80 P CB -0.203 31.493 31.700 -0.008 0.000 0.790 81 R N -1.608 118.811 120.500 -0.136 0.000 2.261 81 R HA -0.178 4.162 4.340 0.001 0.000 0.236 81 R C 1.266 177.402 176.300 -0.274 0.000 1.141 81 R CA 1.529 57.480 56.100 -0.249 0.000 1.001 81 R CB -1.518 28.548 30.300 -0.391 0.000 0.866 81 R HN 0.242 nan 8.270 nan 0.000 0.468 82 Y N 0.896 121.221 120.300 0.040 0.000 2.511 82 Y HA 0.264 4.814 4.550 0.001 0.000 0.279 82 Y C 1.610 177.562 175.900 0.086 0.000 1.157 82 Y CA 0.292 58.426 58.100 0.056 0.000 1.300 82 Y CB 0.033 38.526 38.460 0.055 0.000 1.052 82 Y HN 0.348 nan 8.280 nan 0.000 0.529 83 G N 0.503 109.412 108.800 0.181 0.000 2.356 83 G HA2 -0.374 3.586 3.960 0.001 0.000 0.296 83 G HA3 -0.374 3.586 3.960 0.001 0.000 0.296 83 G C -0.201 174.813 174.900 0.190 0.000 1.022 83 G CA 0.211 45.395 45.100 0.140 0.000 0.961 83 G HN 0.449 nan 8.290 nan 0.000 0.510 84 Y N 0.818 121.179 120.300 0.103 0.000 2.346 84 Y HA 0.466 5.016 4.550 0.000 0.000 0.330 84 Y C 1.526 177.460 175.900 0.057 0.000 1.178 84 Y CA 0.224 58.374 58.100 0.084 0.000 1.331 84 Y CB 1.268 39.782 38.460 0.091 0.000 1.253 84 Y HN 0.347 nan 8.280 nan 0.000 0.529 85 T N 1.526 115.753 114.554 -0.545 0.000 3.040 85 T HA 0.587 4.937 4.350 0.001 0.000 0.266 85 T C 0.525 174.818 174.700 -0.678 0.000 1.005 85 T CA 0.107 61.917 62.100 -0.482 0.000 0.906 85 T CB -0.614 68.132 68.868 -0.203 0.000 1.082 85 T HN 1.439 nan 8.240 nan 0.000 0.531 86 G N -0.427 107.501 108.800 -1.453 0.000 2.555 86 G HA2 0.450 4.411 3.960 0.001 0.000 0.686 86 G HA3 0.450 4.411 3.960 0.001 0.000 0.686 86 G C 0.009 174.808 174.900 -0.168 0.000 1.275 86 G CA -0.359 44.324 45.100 -0.696 0.000 0.871 86 G HN 1.891 nan 8.290 nan 0.000 0.603 87 G N -0.832 108.018 108.800 0.082 0.000 2.707 87 G HA2 0.400 4.361 3.960 0.001 0.000 0.686 87 G HA3 0.400 4.361 3.960 0.001 0.000 0.686 87 G C -0.118 174.907 174.900 0.208 0.000 1.315 87 G CA 0.854 46.025 45.100 0.118 0.000 0.832 87 G HN 2.161 nan 8.290 nan 0.000 0.573 88 E N -0.301 119.972 120.200 0.123 0.000 2.606 88 E HA 0.232 4.583 4.350 0.001 0.000 0.248 88 E C 1.135 177.809 176.600 0.124 0.000 1.005 88 E CA 0.193 56.658 56.400 0.108 0.000 0.946 88 E CB 0.002 29.724 29.700 0.037 0.000 0.928 88 E HN 0.500 nan 8.360 nan 0.000 0.494 89 I N 4.048 124.678 120.570 0.101 0.000 2.588 89 I HA 0.274 4.444 4.170 0.001 0.000 0.283 89 I C 1.105 177.233 176.117 0.019 0.000 1.119 89 I CA 0.323 61.648 61.300 0.042 0.000 1.419 89 I CB 0.973 38.930 38.000 -0.071 0.000 1.394 89 I HN 0.584 nan 8.210 nan 0.000 0.562 90 G N 4.519 113.335 108.800 0.027 0.000 3.108 90 G HA2 0.467 4.427 3.960 0.001 0.000 0.268 90 G HA3 0.467 4.427 3.960 0.001 0.000 0.268 90 G C 0.648 175.546 174.900 -0.004 0.000 1.361 90 G CA -0.705 44.399 45.100 0.007 0.000 1.047 90 G HN 0.569 nan 8.290 nan 0.000 0.540 91 L N -0.063 121.154 121.223 -0.009 0.000 2.089 91 L HA -0.176 4.164 4.340 0.001 0.000 0.213 91 L C 2.377 179.354 176.870 0.179 0.000 1.079 91 L CA 1.547 56.383 54.840 -0.006 0.000 0.758 91 L CB -0.385 41.733 42.059 0.098 0.000 0.891 91 L HN 0.468 nan 8.230 nan 0.000 0.433 92 D N -0.017 120.515 120.400 0.221 0.000 2.088 92 D HA -0.161 4.479 4.640 0.001 0.000 0.191 92 D C 2.268 178.660 176.300 0.155 0.000 0.992 92 D CA 1.495 55.640 54.000 0.241 0.000 0.831 92 D CB -0.402 40.512 40.800 0.189 0.000 0.973 92 D HN 0.162 nan 8.370 nan 0.000 0.447 93 V N 0.579 120.540 119.914 0.077 0.000 2.490 93 V HA -0.251 3.869 4.120 0.001 0.000 0.250 93 V C 2.221 178.244 176.094 -0.117 0.000 1.061 93 V CA 1.254 63.535 62.300 -0.033 0.000 1.064 93 V CB -0.710 31.072 31.823 -0.069 0.000 0.670 93 V HN 0.152 nan 8.190 nan 0.000 0.461 94 Y N 0.528 120.699 120.300 -0.215 0.000 2.089 94 Y HA -0.222 4.328 4.550 0.001 0.000 0.282 94 Y C 2.184 177.927 175.900 -0.263 0.000 1.139 94 Y CA 1.823 59.743 58.100 -0.299 0.000 1.123 94 Y CB -0.408 37.796 38.460 -0.427 0.000 0.980 94 Y HN 0.241 nan 8.280 nan 0.000 0.493 95 F N -0.362 119.648 119.950 0.100 0.000 2.407 95 F HA 0.008 4.535 4.527 0.000 0.000 0.299 95 F C 1.990 177.685 175.800 -0.174 0.000 1.097 95 F CA 0.795 58.780 58.000 -0.024 0.000 1.422 95 F CB -1.183 37.988 39.000 0.285 0.000 1.067 95 F HN -0.096 nan 8.300 nan 0.000 0.539 99 R N 0.125 120.390 120.500 -0.392 0.000 2.509 99 R HA 0.530 4.870 4.340 0.001 0.000 0.297 99 R C 0.957 177.163 176.300 -0.157 0.000 0.951 99 R CA 0.452 56.380 56.100 -0.287 0.000 1.103 99 R CB 0.424 30.456 30.300 -0.448 0.000 1.283 99 R HN 1.735 nan 8.270 nan 0.000 0.534 100 G N 1.851 110.610 108.800 -0.067 0.000 2.880 100 G HA2 -0.332 3.629 3.960 0.001 0.000 0.617 100 G HA3 -0.332 3.629 3.960 0.001 0.000 0.617 100 G C -0.785 174.117 174.900 0.005 0.000 1.493 100 G CA -0.097 45.027 45.100 0.041 0.000 0.916 100 G HN 0.641 nan 8.290 nan 0.000 0.553 101 N N -1.332 117.395 118.700 0.046 0.000 3.100 101 N HA 0.745 5.486 4.740 0.001 0.000 0.344 101 N C 0.966 176.478 175.510 0.005 0.000 1.413 101 N CA 0.151 53.214 53.050 0.021 0.000 0.752 101 N CB 0.713 39.233 38.487 0.056 0.000 1.519 101 N HN 1.533 nan 8.380 nan 0.000 0.620 102 A N -1.203 121.619 122.820 0.003 0.000 2.176 102 A HA 0.250 4.570 4.320 0.001 0.000 0.214 102 A C 0.647 178.230 177.584 -0.001 0.000 1.327 102 A CA 0.868 52.903 52.037 -0.003 0.000 1.015 102 A CB -1.636 17.363 19.000 -0.002 0.000 0.818 102 A HN 0.833 nan 8.150 nan 0.000 0.500 103 S N -3.724 111.976 115.700 -0.000 0.000 2.067 103 S HA 0.135 4.606 4.470 0.001 0.000 0.249 103 S C -0.152 174.433 174.600 -0.025 0.000 0.916 103 S CA 0.420 58.615 58.200 -0.008 0.000 1.458 103 S CB -0.029 63.170 63.200 -0.002 0.000 1.037 103 S HN 0.285 nan 8.310 nan 0.000 0.483 104 V N 4.891 124.792 119.914 -0.022 0.000 2.555 104 V HA 0.650 4.771 4.120 0.001 0.000 0.302 104 V C -2.473 173.599 176.094 -0.036 0.000 1.038 104 V CA -1.995 60.263 62.300 -0.071 0.000 0.887 104 V CB 1.970 33.712 31.823 -0.135 0.000 0.991 104 V HN 0.307 nan 8.190 nan 0.000 0.434 105 P HA 0.318 nan 4.420 nan 0.000 0.274 105 P C -0.416 176.911 177.300 0.045 0.000 1.237 105 P CA -0.096 62.989 63.100 -0.025 0.000 0.793 105 P CB 1.181 32.854 31.700 -0.045 0.000 0.977 111 K N 1.636 122.041 120.400 0.007 0.000 2.401 111 K HA 0.128 4.448 4.320 0.001 0.000 0.278 111 K C -0.392 176.327 176.600 0.198 0.000 1.018 111 K CA -0.533 55.713 56.287 -0.069 0.000 0.981 111 K CB 0.400 32.867 32.500 -0.055 0.000 0.933 111 K HN 0.569 nan 8.250 nan 0.000 0.477 112 W N 7.815 129.193 121.300 0.131 0.000 2.433 112 W HA 0.059 4.720 4.660 0.001 0.000 0.331 112 W C -0.733 176.008 176.519 0.370 0.000 1.110 112 W CA -0.451 57.162 57.345 0.447 0.000 1.450 112 W CB -0.383 29.496 29.460 0.699 0.000 1.348 112 W HN 0.782 nan 8.180 nan 0.000 0.415 113 F N 1.304 121.201 119.950 -0.088 0.000 2.169 113 F HA -0.421 4.106 4.527 0.001 0.000 0.314 113 F C 1.600 177.298 175.800 -0.169 0.000 0.318 113 F CA 2.329 60.224 58.000 -0.175 0.000 0.904 113 F CB -0.931 37.941 39.000 -0.213 0.000 4.078 113 F HN 0.425 nan 8.300 nan 0.000 0.173 114 D N 0.219 120.582 120.400 -0.061 0.000 2.722 114 D HA 0.221 4.861 4.640 0.001 0.000 0.239 114 D C 0.169 176.346 176.300 -0.205 0.000 1.249 114 D CA 0.677 54.602 54.000 -0.125 0.000 0.830 114 D CB -0.776 39.962 40.800 -0.103 0.000 1.025 114 D HN 0.683 nan 8.370 nan 0.000 0.486 115 T N -3.377 111.050 114.554 -0.213 0.000 2.936 115 T HA 0.332 4.682 4.350 0.001 0.000 0.282 115 T C 0.685 175.387 174.700 0.004 0.000 1.003 115 T CA -0.877 61.117 62.100 -0.176 0.000 1.005 115 T CB 1.141 69.846 68.868 -0.271 0.000 1.097 115 T HN -0.011 nan 8.240 nan 0.000 0.532 116 N N -0.482 118.261 118.700 0.071 0.000 2.362 116 N HA 0.091 4.832 4.740 0.001 0.000 0.204 116 N C -0.910 174.676 175.510 0.127 0.000 1.166 116 N CA -0.161 52.944 53.050 0.090 0.000 0.831 116 N CB 0.008 38.541 38.487 0.077 0.000 1.008 116 N HN 0.499 nan 8.380 nan 0.000 0.472 117 Y N 0.682 121.015 120.300 0.054 0.000 2.387 117 Y HA 0.269 4.820 4.550 0.001 0.000 0.330 117 Y C -0.722 175.147 175.900 -0.052 0.000 1.133 117 Y CA -0.774 57.405 58.100 0.131 0.000 1.152 117 Y CB 0.646 39.302 38.460 0.327 0.000 1.215 117 Y HN 0.050 nan 8.280 nan 0.000 0.466 118 H N 4.658 123.276 119.070 -0.754 0.000 2.609 118 H HA 0.317 4.874 4.556 0.000 0.000 0.344 118 H C -1.270 173.746 175.328 -0.519 0.000 1.040 118 H CA -0.634 55.157 56.048 -0.428 0.000 1.216 118 H CB 0.844 30.444 29.762 -0.270 0.000 1.529 118 H HN 0.617 nan 8.280 nan 0.000 0.519 119 Y N 0.987 121.256 120.300 -0.052 0.000 2.568 119 Y HA 0.600 5.151 4.550 0.000 0.000 0.327 119 Y C -0.901 175.086 175.900 0.145 0.000 1.163 119 Y CA -1.502 56.661 58.100 0.104 0.000 1.219 119 Y CB 0.987 39.642 38.460 0.324 0.000 1.308 119 Y HN 0.327 nan 8.280 nan 0.000 0.503 120 I N 4.429 125.191 120.570 0.321 0.000 2.304 120 I HA 0.194 4.364 4.170 0.001 0.000 0.291 120 I C -0.030 176.237 176.117 0.251 0.000 1.018 120 I CA -0.836 60.560 61.300 0.160 0.000 1.260 120 I CB 0.832 38.930 38.000 0.163 0.000 1.390 120 I HN 0.676 nan 8.210 nan 0.000 0.475 121 V N 7.341 127.279 119.914 0.039 0.000 2.479 121 V HA 0.362 4.482 4.120 0.001 0.000 0.281 121 V C -2.315 173.867 176.094 0.148 0.000 1.031 121 V CA -1.218 61.171 62.300 0.148 0.000 1.038 121 V CB 0.285 32.103 31.823 -0.008 0.000 0.981 121 V HN 0.510 nan 8.190 nan 0.000 0.478 122 P HA 0.277 nan 4.420 nan 0.000 0.271 122 P C -0.733 176.631 177.300 0.106 0.000 1.216 122 P CA 0.081 63.263 63.100 0.136 0.000 0.776 122 P CB 0.370 32.098 31.700 0.047 0.000 0.881 123 E N 2.257 122.529 120.200 0.119 0.000 2.070 123 E HA 0.293 4.643 4.350 0.001 0.000 0.261 123 E C -0.528 176.128 176.600 0.093 0.000 0.926 123 E CA -0.286 56.167 56.400 0.088 0.000 0.760 123 E CB 0.307 30.050 29.700 0.072 0.000 1.133 123 E HN 0.321 nan 8.360 nan 0.000 0.420 124 L N 1.577 122.865 121.223 0.109 0.000 2.352 124 L HA 0.848 5.189 4.340 0.001 0.000 0.269 124 L C 0.629 177.487 176.870 -0.020 0.000 1.034 124 L CA -0.842 54.076 54.840 0.130 0.000 0.806 124 L CB 1.672 43.898 42.059 0.278 0.000 1.244 124 L HN 0.539 nan 8.230 nan 0.000 0.447 125 G N 0.519 109.237 108.800 -0.136 0.000 2.559 125 G HA2 0.405 4.365 3.960 0.001 0.000 0.291 125 G HA3 0.405 4.365 3.960 0.001 0.000 0.291 125 G C -2.825 171.857 174.900 -0.363 0.000 1.424 125 G CA -0.509 44.284 45.100 -0.513 0.000 0.786 125 G HN 0.307 nan 8.290 nan 0.000 0.485 126 P HA 0.114 nan 4.420 nan 0.000 0.237 126 P C 0.953 178.199 177.300 -0.091 0.000 1.178 126 P CA 0.841 63.866 63.100 -0.125 0.000 0.766 126 P CB 0.390 32.041 31.700 -0.081 0.000 0.876 127 E N -1.024 119.093 120.200 -0.139 0.000 2.447 127 E HA 0.046 4.396 4.350 0.001 0.000 0.195 127 E C 0.488 177.007 176.600 -0.135 0.000 1.028 127 E CA -0.103 56.232 56.400 -0.108 0.000 0.876 127 E CB 0.313 29.954 29.700 -0.097 0.000 0.885 127 E HN 0.053 nan 8.360 nan 0.000 0.500 128 V N 2.066 121.853 119.914 -0.212 0.000 2.614 128 V HA 0.110 4.230 4.120 0.001 0.000 0.291 128 V C -0.493 175.324 176.094 -0.461 0.000 1.049 128 V CA -0.305 61.795 62.300 -0.333 0.000 1.038 128 V CB 1.025 32.583 31.823 -0.442 0.000 0.980 128 V HN 0.040 nan 8.190 nan 0.000 0.481 129 N N 6.313 124.832 118.700 -0.302 0.000 2.678 129 N HA 0.378 5.118 4.740 0.001 0.000 0.231 129 N C -0.654 174.792 175.510 -0.107 0.000 1.038 129 N CA -0.404 52.543 53.050 -0.171 0.000 0.932 129 N CB -0.013 38.450 38.487 -0.041 0.000 1.176 129 N HN 0.542 nan 8.380 nan 0.000 0.511 130 F N 1.201 121.215 119.950 0.107 0.000 2.587 130 F HA 0.254 4.781 4.527 0.000 0.000 0.327 130 F C 1.400 177.267 175.800 0.111 0.000 1.232 130 F CA 0.153 58.220 58.000 0.112 0.000 1.353 130 F CB 0.344 39.403 39.000 0.098 0.000 1.156 130 F HN 0.435 nan 8.300 nan 0.000 0.599 131 S N -0.676 115.223 115.700 0.332 0.000 2.680 131 S HA 0.174 4.644 4.470 0.001 0.000 0.284 131 S C -1.757 172.992 174.600 0.248 0.000 1.055 131 S CA -1.145 57.201 58.200 0.244 0.000 0.849 131 S CB 0.168 63.496 63.200 0.215 0.000 1.068 131 S HN 0.572 nan 8.310 nan 0.000 0.453 132 Y N 2.346 122.673 120.300 0.046 0.000 2.620 132 Y HA 0.575 5.126 4.550 0.000 0.000 0.352 132 Y C 0.825 176.732 175.900 0.012 0.000 1.140 132 Y CA -0.670 57.408 58.100 -0.037 0.000 1.529 132 Y CB -0.060 38.349 38.460 -0.086 0.000 1.321 132 Y HN 0.997 nan 8.280 nan 0.000 0.501 133 A N 3.408 126.371 122.820 0.238 0.000 2.503 133 A HA 0.366 4.686 4.320 0.001 0.000 0.263 133 A C 0.353 177.996 177.584 0.099 0.000 1.258 133 A CA 0.183 52.312 52.037 0.153 0.000 0.936 133 A CB 0.151 19.264 19.000 0.187 0.000 1.070 133 A HN 0.427 nan 8.150 nan 0.000 0.522 134 S N -0.793 114.954 115.700 0.079 0.000 2.652 134 S HA 0.402 4.872 4.470 0.001 0.000 0.273 134 S C -0.945 173.682 174.600 0.046 0.000 1.172 134 S CA -0.482 57.761 58.200 0.072 0.000 1.009 134 S CB 0.236 63.466 63.200 0.050 0.000 1.094 134 S HN 0.412 nan 8.310 nan 0.000 0.471 135 H N 2.699 121.751 119.070 -0.031 0.000 2.568 135 H HA 0.320 4.876 4.556 0.001 0.000 0.302 135 H C 1.569 176.920 175.328 0.039 0.000 1.065 135 H CA -0.009 56.042 56.048 0.005 0.000 1.140 135 H CB 0.436 30.136 29.762 -0.103 0.000 1.474 135 H HN 0.593 nan 8.280 nan 0.000 0.545 136 K N 0.913 121.377 120.400 0.107 0.000 2.032 136 K HA -0.184 4.136 4.320 0.001 0.000 0.209 136 K C 2.168 178.827 176.600 0.098 0.000 1.048 136 K CA 1.245 57.573 56.287 0.068 0.000 0.927 136 K CB -0.011 32.500 32.500 0.017 0.000 0.712 136 K HN 0.327 nan 8.250 nan 0.000 0.441 137 A N 0.816 123.693 122.820 0.094 0.000 1.841 137 A HA -0.178 4.142 4.320 0.001 0.000 0.216 137 A C 2.284 179.952 177.584 0.141 0.000 1.199 137 A CA 2.008 54.105 52.037 0.102 0.000 0.621 137 A CB -1.185 17.840 19.000 0.041 0.000 0.835 137 A HN 0.284 nan 8.150 nan 0.000 0.445 138 V N 0.638 120.638 119.914 0.143 0.000 2.407 138 V HA -0.230 3.890 4.120 0.001 0.000 0.248 138 V C 2.088 178.292 176.094 0.183 0.000 1.055 138 V CA 2.681 65.083 62.300 0.171 0.000 1.049 138 V CB -1.013 30.913 31.823 0.171 0.000 0.662 138 V HN 0.589 nan 8.190 nan 0.000 0.455 139 N N 0.456 119.246 118.700 0.150 0.000 2.069 139 N HA -0.197 4.543 4.740 0.001 0.000 0.191 139 N C 1.851 177.417 175.510 0.093 0.000 1.031 139 N CA 2.105 55.215 53.050 0.101 0.000 0.852 139 N CB -0.396 38.137 38.487 0.076 0.000 1.018 139 N HN 0.647 nan 8.380 nan 0.000 0.423 140 E N -0.655 119.626 120.200 0.133 0.000 2.150 140 E HA -0.184 4.166 4.350 0.001 0.000 0.193 140 E C 1.649 178.277 176.600 0.048 0.000 0.985 140 E CA 0.554 57.065 56.400 0.185 0.000 0.814 140 E CB -0.112 29.763 29.700 0.292 0.000 0.752 140 E HN 0.412 nan 8.360 nan 0.000 0.466 141 Y N 1.681 121.968 120.300 -0.022 0.000 2.181 141 Y HA -0.185 4.365 4.550 0.001 0.000 0.288 141 Y C 1.891 177.706 175.900 -0.141 0.000 1.146 141 Y CA 1.587 59.625 58.100 -0.102 0.000 1.164 141 Y CB 0.144 38.582 38.460 -0.037 0.000 0.982 141 Y HN -0.175 nan 8.280 nan 0.000 0.515 142 K N -0.002 120.343 120.400 -0.092 0.000 2.103 142 K HA -0.185 4.136 4.320 0.001 0.000 0.204 142 K C 2.143 178.616 176.600 -0.212 0.000 1.052 142 K CA 1.366 57.564 56.287 -0.148 0.000 0.945 142 K CB -0.178 32.323 32.500 0.002 0.000 0.722 142 K HN 0.426 nan 8.250 nan 0.000 0.443 143 E N 0.902 121.011 120.200 -0.152 0.000 2.058 143 E HA -0.225 4.125 4.350 0.001 0.000 0.194 143 E C 1.891 178.341 176.600 -0.251 0.000 0.997 143 E CA 1.317 57.650 56.400 -0.112 0.000 0.801 143 E CB -0.050 29.671 29.700 0.035 0.000 0.746 143 E HN 0.312 nan 8.360 nan 0.000 0.450 144 A N 0.679 123.142 122.820 -0.595 0.000 1.969 144 A HA -0.151 4.170 4.320 0.001 0.000 0.218 144 A C 2.047 179.257 177.584 -0.624 0.000 1.169 144 A CA 1.594 53.057 52.037 -0.957 0.000 0.635 144 A CB -0.321 17.563 19.000 -1.860 0.000 0.810 144 A HN 0.098 nan 8.150 nan 0.000 0.445 145 K N 0.391 120.430 120.400 -0.601 0.000 2.026 145 K HA 0.006 4.326 4.320 0.001 0.000 0.208 145 K C 2.040 178.472 176.600 -0.279 0.000 1.048 145 K CA 1.608 57.610 56.287 -0.475 0.000 0.929 145 K CB -0.625 31.577 32.500 -0.497 0.000 0.713 145 K HN 0.315 nan 8.250 nan 0.000 0.439 146 A N 0.221 122.907 122.820 -0.224 0.000 1.908 146 A HA -0.136 4.184 4.320 0.001 0.000 0.218 146 A C 1.851 179.364 177.584 -0.119 0.000 1.181 146 A CA 1.605 53.560 52.037 -0.137 0.000 0.627 146 A CB -0.651 18.289 19.000 -0.101 0.000 0.818 146 A HN 0.277 nan 8.150 nan 0.000 0.445 147 L N -1.155 119.986 121.223 -0.136 0.000 2.456 147 L HA 0.126 4.466 4.340 0.001 0.000 0.224 147 L C 1.872 178.678 176.870 -0.106 0.000 1.148 147 L CA 1.327 56.112 54.840 -0.091 0.000 0.825 147 L CB -0.885 41.142 42.059 -0.053 0.000 0.937 147 L HN 0.709 nan 8.230 nan 0.000 0.450 148 G N -0.947 107.763 108.800 -0.149 0.000 2.157 148 G HA2 -0.201 3.759 3.960 0.001 0.000 0.239 148 G HA3 -0.201 3.759 3.960 0.001 0.000 0.239 148 G C 0.216 175.022 174.900 -0.157 0.000 0.982 148 G CA 0.122 45.142 45.100 -0.132 0.000 0.650 148 G HN 0.332 nan 8.290 nan 0.000 0.527 149 V N 0.402 120.179 119.914 -0.229 0.000 2.376 149 V HA 0.683 4.803 4.120 0.001 0.000 0.287 149 V C -0.428 175.447 176.094 -0.364 0.000 1.015 149 V CA -0.532 61.618 62.300 -0.250 0.000 0.834 149 V CB 1.567 33.263 31.823 -0.212 0.000 1.001 149 V HN 0.247 nan 8.190 nan 0.000 0.428 150 D N 4.985 125.228 120.400 -0.261 0.000 2.351 150 D HA 0.525 5.165 4.640 0.001 0.000 0.251 150 D C 0.405 176.601 176.300 -0.173 0.000 1.137 150 D CA 0.535 54.392 54.000 -0.238 0.000 0.879 150 D CB 1.530 42.279 40.800 -0.084 0.000 1.181 150 D HN 0.919 nan 8.370 nan 0.000 0.448 151 T N -0.536 113.940 114.554 -0.129 0.000 2.927 151 T HA 0.600 4.951 4.350 0.001 0.000 0.286 151 T C -0.410 174.444 174.700 0.257 0.000 1.040 151 T CA -0.930 61.176 62.100 0.011 0.000 1.010 151 T CB 1.186 69.966 68.868 -0.147 0.000 1.177 151 T HN 0.053 nan 8.240 nan 0.000 0.546 152 V N 2.625 122.679 119.914 0.234 0.000 2.293 152 V HA 0.376 4.497 4.120 0.001 0.000 0.275 152 V C -2.485 173.740 176.094 0.218 0.000 1.021 152 V CA -2.033 60.420 62.300 0.254 0.000 0.815 152 V CB 0.646 32.636 31.823 0.278 0.000 1.025 152 V HN 0.770 nan 8.190 nan 0.000 0.448 153 P HA 0.084 nan 4.420 nan 0.000 0.264 153 P C -0.531 176.847 177.300 0.130 0.000 1.193 153 P CA 0.254 63.439 63.100 0.142 0.000 0.763 153 P CB 0.629 32.360 31.700 0.052 0.000 0.810 154 V N 5.591 125.590 119.914 0.142 0.000 2.384 154 V HA 0.385 4.505 4.120 0.001 0.000 0.287 154 V C 0.196 176.360 176.094 0.116 0.000 1.020 154 V CA -0.323 62.060 62.300 0.138 0.000 0.850 154 V CB 0.878 32.797 31.823 0.159 0.000 0.987 154 V HN 0.336 nan 8.190 nan 0.000 0.436 155 L N 4.665 125.959 121.223 0.118 0.000 2.370 155 L HA 0.645 4.985 4.340 0.001 0.000 0.266 155 L C -0.479 176.504 176.870 0.190 0.000 1.002 155 L CA -1.162 53.746 54.840 0.114 0.000 0.818 155 L CB 2.256 44.361 42.059 0.076 0.000 1.325 155 L HN 0.263 nan 8.230 nan 0.000 0.418 156 V N 1.589 121.633 119.914 0.216 0.000 2.470 156 V HA 0.196 4.316 4.120 0.001 0.000 0.276 156 V C 1.121 177.410 176.094 0.326 0.000 1.040 156 V CA -0.311 62.166 62.300 0.295 0.000 1.008 156 V CB 0.767 32.796 31.823 0.344 0.000 0.990 156 V HN 0.915 nan 8.190 nan 0.000 0.477 157 G N 7.095 116.061 108.800 0.276 0.000 2.460 157 G HA2 0.063 4.023 3.960 0.001 0.000 0.230 157 G HA3 0.063 4.023 3.960 0.001 0.000 0.230 157 G C -0.702 174.236 174.900 0.063 0.000 1.248 157 G CA -0.324 44.896 45.100 0.200 0.000 0.863 157 G HN 0.644 nan 8.290 nan 0.000 0.549 158 P HA -0.152 nan 4.420 nan 0.000 0.217 158 P C 1.883 179.055 177.300 -0.214 0.000 1.150 158 P CA 1.365 64.097 63.100 -0.613 0.000 0.832 158 P CB 0.139 31.093 31.700 -1.244 0.000 0.787 159 V N -0.801 118.971 119.914 -0.237 0.000 2.649 159 V HA -0.055 4.065 4.120 0.001 0.000 0.248 159 V C 2.326 178.311 176.094 -0.183 0.000 1.054 159 V CA 2.025 64.132 62.300 -0.322 0.000 1.073 159 V CB -1.114 30.257 31.823 -0.753 0.000 0.699 159 V HN -0.000 nan 8.190 nan 0.000 0.463 160 S N -0.557 115.152 115.700 0.014 0.000 2.368 160 S HA -0.139 4.331 4.470 0.001 0.000 0.224 160 S C 1.689 176.371 174.600 0.138 0.000 1.029 160 S CA 1.726 60.009 58.200 0.138 0.000 0.988 160 S CB -0.543 62.804 63.200 0.245 0.000 0.838 160 S HN 0.855 nan 8.310 nan 0.000 0.462 161 Y N 2.421 122.768 120.300 0.078 0.000 2.114 161 Y HA -0.174 4.376 4.550 0.001 0.000 0.282 161 Y C 1.816 177.766 175.900 0.083 0.000 1.165 161 Y CA 1.451 59.618 58.100 0.111 0.000 1.148 161 Y CB -0.473 38.069 38.460 0.136 0.000 0.972 161 Y HN 0.161 nan 8.280 nan 0.000 0.504 162 L N -0.613 120.600 121.223 -0.016 0.000 2.027 162 L HA -0.228 4.112 4.340 0.001 0.000 0.206 162 L C 2.436 179.250 176.870 -0.094 0.000 1.074 162 L CA 1.158 55.944 54.840 -0.089 0.000 0.745 162 L CB -0.629 41.413 42.059 -0.029 0.000 0.898 162 L HN 0.270 nan 8.230 nan 0.000 0.433 163 L N -0.446 120.736 121.223 -0.067 0.000 2.265 163 L HA -0.193 4.147 4.340 0.001 0.000 0.215 163 L C 2.166 179.016 176.870 -0.034 0.000 1.117 163 L CA 0.905 55.719 54.840 -0.043 0.000 0.782 163 L CB -0.261 41.789 42.059 -0.015 0.000 0.914 163 L HN 0.337 nan 8.230 nan 0.000 0.441 164 L N -1.532 119.662 121.223 -0.048 0.000 2.567 164 L HA 0.073 4.413 4.340 0.001 0.000 0.225 164 L C 1.149 178.058 176.870 0.065 0.000 1.119 164 L CA -0.192 54.645 54.840 -0.005 0.000 0.871 164 L CB 0.147 42.164 42.059 -0.071 0.000 1.036 164 L HN 0.113 nan 8.230 nan 0.000 0.459 165 S N -0.422 115.244 115.700 -0.056 0.000 2.686 165 S HA 0.461 4.932 4.470 0.001 0.000 0.270 165 S C -0.144 174.478 174.600 0.037 0.000 1.194 165 S CA -0.534 57.646 58.200 -0.033 0.000 0.990 165 S CB 1.151 64.264 63.200 -0.145 0.000 1.029 165 S HN -0.019 nan 8.310 nan 0.000 0.560 166 K N 0.555 120.992 120.400 0.061 0.000 2.525 166 K HA 0.508 4.828 4.320 0.001 0.000 0.254 166 K C -0.879 175.778 176.600 0.096 0.000 0.934 166 K CA -0.583 55.748 56.287 0.074 0.000 0.802 166 K CB 1.764 34.291 32.500 0.046 0.000 1.295 166 K HN 0.709 nan 8.250 nan 0.000 0.433 167 A N 1.791 124.692 122.820 0.135 0.000 2.540 167 A HA 0.410 4.731 4.320 0.001 0.000 0.239 167 A C 0.499 178.099 177.584 0.027 0.000 1.061 167 A CA 0.470 52.569 52.037 0.103 0.000 0.758 167 A CB -0.045 19.051 19.000 0.160 0.000 0.991 167 A HN 0.761 nan 8.150 nan 0.000 0.502 168 A N 2.923 125.732 122.820 -0.018 0.000 2.327 168 A HA 0.412 4.732 4.320 0.001 0.000 0.255 168 A C 0.654 178.217 177.584 -0.034 0.000 1.099 168 A CA -0.326 51.699 52.037 -0.020 0.000 0.801 168 A CB 0.069 19.052 19.000 -0.029 0.000 1.062 168 A HN 0.833 nan 8.150 nan 0.000 0.496 169 K N -0.365 120.019 120.400 -0.027 0.000 2.524 169 K HA 0.253 4.573 4.320 0.001 0.000 0.279 169 K C 1.250 177.827 176.600 -0.040 0.000 0.993 169 K CA 1.321 57.592 56.287 -0.027 0.000 1.030 169 K CB 0.031 32.516 32.500 -0.026 0.000 0.891 169 K HN 1.314 nan 8.250 nan 0.000 0.488 170 G N 1.260 110.041 108.800 -0.032 0.000 2.420 170 G HA2 -0.286 3.674 3.960 0.001 0.000 0.221 170 G HA3 -0.286 3.674 3.960 0.001 0.000 0.221 170 G C 0.110 174.981 174.900 -0.049 0.000 1.117 170 G CA -0.120 44.957 45.100 -0.037 0.000 0.657 170 G HN 0.464 nan 8.290 nan 0.000 0.512 171 V N 5.042 124.905 119.914 -0.084 0.000 2.500 171 V HA 0.197 4.317 4.120 0.001 0.000 0.267 171 V C 1.189 177.269 176.094 -0.025 0.000 0.977 171 V CA 0.223 62.443 62.300 -0.133 0.000 1.151 171 V CB -0.885 30.784 31.823 -0.256 0.000 1.013 171 V HN 0.700 nan 8.190 nan 0.000 0.467 172 D N 5.351 125.752 120.400 0.001 0.000 2.404 172 D HA -0.201 4.439 4.640 0.001 0.000 0.229 172 D C 1.272 177.628 176.300 0.093 0.000 1.292 172 D CA 0.472 54.499 54.000 0.046 0.000 0.887 172 D CB 0.819 41.650 40.800 0.052 0.000 1.246 172 D HN 0.671 nan 8.370 nan 0.000 0.524 173 K N -0.411 120.033 120.400 0.073 0.000 2.147 173 K HA -0.155 4.165 4.320 0.001 0.000 0.205 173 K C 1.899 178.551 176.600 0.086 0.000 1.049 173 K CA 1.486 57.816 56.287 0.072 0.000 0.936 173 K CB -0.385 32.142 32.500 0.044 0.000 0.722 173 K HN 0.421 nan 8.250 nan 0.000 0.446 174 S N 0.675 116.428 115.700 0.089 0.000 2.481 174 S HA -0.074 4.396 4.470 0.001 0.000 0.231 174 S C 0.622 175.282 174.600 0.101 0.000 0.996 174 S CA -0.350 57.895 58.200 0.076 0.000 0.942 174 S CB -0.720 62.518 63.200 0.063 0.000 0.768 174 S HN 0.342 nan 8.310 nan 0.000 0.520 175 F N 3.499 123.454 119.950 0.009 0.000 2.607 175 F HA 0.241 4.769 4.527 0.000 0.000 0.374 175 F C 0.549 176.356 175.800 0.011 0.000 1.104 175 F CA -0.229 57.779 58.000 0.013 0.000 1.296 175 F CB 0.383 39.393 39.000 0.017 0.000 1.085 175 F HN 0.035 nan 8.300 nan 0.000 0.584 176 E N 7.154 126.815 120.200 -0.898 0.000 2.141 176 E HA 0.152 4.502 4.350 0.001 0.000 0.259 176 E C 0.891 176.841 176.600 -1.084 0.000 0.883 176 E CA -0.298 55.690 56.400 -0.686 0.000 0.744 176 E CB 1.274 30.759 29.700 -0.357 0.000 1.150 176 E HN 0.897 nan 8.360 nan 0.000 0.420 177 L N 3.279 124.053 121.223 -0.749 0.000 2.064 177 L HA -0.268 4.072 4.340 0.001 0.000 0.216 177 L C 1.912 178.653 176.870 -0.215 0.000 1.077 177 L CA 0.952 55.572 54.840 -0.368 0.000 0.766 177 L CB -0.257 41.772 42.059 -0.051 0.000 0.890 177 L HN 0.493 nan 8.230 nan 0.000 0.435 178 L N 0.050 121.146 121.223 -0.212 0.000 2.551 178 L HA -0.147 4.193 4.340 0.001 0.000 0.230 178 L C 2.549 179.344 176.870 -0.125 0.000 1.163 178 L CA 1.677 56.427 54.840 -0.150 0.000 0.826 178 L CB -1.084 40.884 42.059 -0.152 0.000 0.943 178 L HN 0.372 nan 8.230 nan 0.000 0.452 179 S N -2.544 113.060 115.700 -0.160 0.000 2.607 179 S HA 0.014 4.485 4.470 0.001 0.000 0.224 179 S C 1.525 176.157 174.600 0.053 0.000 0.969 179 S CA 0.219 58.376 58.200 -0.070 0.000 0.927 179 S CB -0.301 62.837 63.200 -0.104 0.000 0.772 179 S HN 0.471 nan 8.310 nan 0.000 0.533 180 L N 0.144 121.415 121.223 0.079 0.000 2.616 180 L HA 0.340 4.680 4.340 0.001 0.000 0.229 180 L C 2.060 178.936 176.870 0.009 0.000 1.110 180 L CA -0.003 54.929 54.840 0.153 0.000 0.884 180 L CB -0.294 41.944 42.059 0.299 0.000 1.115 180 L HN 0.283 nan 8.230 nan 0.000 0.481 181 L N 0.927 122.120 121.223 -0.050 0.000 2.051 181 L HA -0.222 4.118 4.340 0.001 0.000 0.214 181 L C -0.280 176.529 176.870 -0.102 0.000 1.076 181 L CA 1.950 56.720 54.840 -0.117 0.000 0.758 181 L CB -1.246 40.732 42.059 -0.135 0.000 0.890 181 L HN 0.251 nan 8.230 nan 0.000 0.433 182 P HA -0.158 nan 4.420 nan 0.000 0.222 182 P C 1.143 178.440 177.300 -0.004 0.000 1.147 182 P CA 1.312 64.398 63.100 -0.024 0.000 0.790 182 P CB 0.058 31.763 31.700 0.008 0.000 0.780 183 K N -0.708 119.700 120.400 0.012 0.000 2.211 183 K HA 0.088 4.409 4.320 0.001 0.000 0.201 183 K C 1.974 178.506 176.600 -0.114 0.000 1.052 183 K CA 0.950 57.276 56.287 0.065 0.000 0.973 183 K CB -0.176 32.523 32.500 0.331 0.000 0.766 183 K HN 0.281 nan 8.250 nan 0.000 0.466 184 I N -2.393 118.001 120.570 -0.293 0.000 3.035 184 I HA -0.032 4.139 4.170 0.001 0.000 0.271 184 I C 1.605 177.678 176.117 -0.073 0.000 1.190 184 I CA 0.264 61.381 61.300 -0.304 0.000 1.472 184 I CB -0.031 37.731 38.000 -0.397 0.000 1.116 184 I HN -0.146 nan 8.210 nan 0.000 0.443 185 L N 1.984 123.133 121.223 -0.123 0.000 2.042 185 L HA -0.016 4.325 4.340 0.001 0.000 0.210 185 L C -0.228 176.614 176.870 -0.046 0.000 1.076 185 L CA 2.310 57.079 54.840 -0.120 0.000 0.749 185 L CB -2.074 39.889 42.059 -0.159 0.000 0.893 185 L HN 0.184 nan 8.230 nan 0.000 0.432 186 P HA -0.159 nan 4.420 nan 0.000 0.216 186 P C 2.007 179.279 177.300 -0.045 0.000 1.150 186 P CA 1.492 64.576 63.100 -0.027 0.000 0.843 186 P CB 0.045 31.745 31.700 0.000 0.000 0.787 187 I N -3.288 117.247 120.570 -0.059 0.000 2.500 187 I HA -0.205 3.965 4.170 0.001 0.000 0.252 187 I C 2.004 177.943 176.117 -0.296 0.000 1.142 187 I CA 1.142 62.336 61.300 -0.177 0.000 1.451 187 I CB -0.610 37.290 38.000 -0.166 0.000 1.093 187 I HN -0.087 nan 8.210 nan 0.000 0.430 188 Y N 1.574 121.705 120.300 -0.282 0.000 2.352 188 Y HA -0.169 4.381 4.550 0.001 0.000 0.292 188 Y C 2.431 178.181 175.900 -0.250 0.000 1.136 188 Y CA 1.365 59.297 58.100 -0.280 0.000 1.227 188 Y CB -0.258 38.053 38.460 -0.248 0.000 0.991 188 Y HN 0.051 nan 8.280 nan 0.000 0.545 189 K N -0.080 120.281 120.400 -0.065 0.000 2.062 189 K HA -0.127 4.194 4.320 0.001 0.000 0.205 189 K C 1.832 178.363 176.600 -0.115 0.000 1.051 189 K CA 1.418 57.656 56.287 -0.082 0.000 0.941 189 K CB -0.110 32.354 32.500 -0.061 0.000 0.719 189 K HN 0.382 nan 8.250 nan 0.000 0.440 190 E N 0.624 120.729 120.200 -0.159 0.000 2.110 190 E HA -0.158 4.192 4.350 0.001 0.000 0.193 190 E C 2.031 178.505 176.600 -0.209 0.000 0.988 190 E CA 1.184 57.503 56.400 -0.135 0.000 0.804 190 E CB -0.034 29.603 29.700 -0.104 0.000 0.745 190 E HN 0.060 nan 8.360 nan 0.000 0.458 191 V N 1.655 121.297 119.914 -0.452 0.000 2.283 191 V HA -0.223 3.897 4.120 0.001 0.000 0.243 191 V C 2.316 178.301 176.094 -0.182 0.000 1.039 191 V CA 1.385 63.435 62.300 -0.416 0.000 1.016 191 V CB -0.406 31.067 31.823 -0.583 0.000 0.650 191 V HN 0.231 nan 8.190 nan 0.000 0.449 192 I N 0.195 120.668 120.570 -0.163 0.000 2.264 192 I HA -0.272 3.898 4.170 0.001 0.000 0.248 192 I C 2.556 178.621 176.117 -0.085 0.000 1.111 192 I CA 1.879 63.114 61.300 -0.108 0.000 1.382 192 I CB -0.726 37.223 38.000 -0.084 0.000 1.060 192 I HN 0.332 nan 8.210 nan 0.000 0.418 193 T N 0.253 114.766 114.554 -0.068 0.000 2.708 193 T HA -0.174 4.176 4.350 0.001 0.000 0.266 193 T C 1.766 176.455 174.700 -0.019 0.000 1.037 193 T CA 1.410 63.487 62.100 -0.038 0.000 1.146 193 T CB -0.215 68.641 68.868 -0.020 0.000 0.865 193 T HN 0.423 nan 8.240 nan 0.000 0.435 194 E N 0.479 120.685 120.200 0.009 0.000 2.110 194 E HA -0.092 4.258 4.350 0.001 0.000 0.193 194 E C 2.130 178.728 176.600 -0.002 0.000 0.988 194 E CA 0.680 57.108 56.400 0.046 0.000 0.804 194 E CB -0.169 29.611 29.700 0.133 0.000 0.745 194 E HN 0.217 nan 8.360 nan 0.000 0.458 195 L N 1.565 122.754 121.223 -0.058 0.000 2.046 195 L HA -0.187 4.154 4.340 0.001 0.000 0.208 195 L C 2.074 178.824 176.870 -0.199 0.000 1.077 195 L CA 1.722 56.463 54.840 -0.165 0.000 0.747 195 L CB -0.629 41.316 42.059 -0.189 0.000 0.896 195 L HN 0.015 nan 8.230 nan 0.000 0.432 196 K N -0.977 119.350 120.400 -0.121 0.000 2.025 196 K HA -0.100 4.220 4.320 0.001 0.000 0.207 196 K C 2.071 178.640 176.600 -0.052 0.000 1.049 196 K CA 1.304 57.535 56.287 -0.094 0.000 0.933 196 K CB -0.292 32.169 32.500 -0.067 0.000 0.714 196 K HN 0.291 nan 8.250 nan 0.000 0.438 197 A N 1.506 124.310 122.820 -0.026 0.000 1.986 197 A HA -0.174 4.146 4.320 0.001 0.000 0.220 197 A C 2.264 179.863 177.584 0.025 0.000 1.171 197 A CA 1.983 54.022 52.037 0.004 0.000 0.640 197 A CB -0.604 18.407 19.000 0.017 0.000 0.811 197 A HN 0.371 nan 8.150 nan 0.000 0.451 198 A N -2.222 120.615 122.820 0.028 0.000 2.167 198 A HA 0.385 4.705 4.320 0.001 0.000 0.214 198 A C 1.821 179.514 177.584 0.181 0.000 1.151 198 A CA 1.409 53.517 52.037 0.118 0.000 0.735 198 A CB -0.681 18.438 19.000 0.198 0.000 0.802 198 A HN 1.908 nan 8.150 nan 0.000 0.467 199 G N -2.500 106.342 108.800 0.070 0.000 2.154 199 G HA2 0.192 4.152 3.960 0.001 0.000 0.186 199 G HA3 0.192 4.152 3.960 0.001 0.000 0.186 199 G C 0.284 175.234 174.900 0.083 0.000 1.000 199 G CA 0.063 45.226 45.100 0.105 0.000 0.664 199 G HN 1.464 nan 8.290 nan 0.000 0.513 200 A N 0.558 123.259 122.820 -0.198 0.000 2.450 200 A HA 0.686 5.007 4.320 0.001 0.000 0.255 200 A C 1.399 178.936 177.584 -0.079 0.000 1.096 200 A CA 1.418 53.254 52.037 -0.334 0.000 0.778 200 A CB 0.357 18.920 19.000 -0.728 0.000 1.031 200 A HN 1.452 nan 8.150 nan 0.000 0.494 201 T N -1.688 112.906 114.554 0.067 0.000 3.003 201 T HA 0.273 4.624 4.350 0.001 0.000 0.261 201 T C -0.266 174.472 174.700 0.065 0.000 1.003 201 T CA -0.065 62.081 62.100 0.077 0.000 0.917 201 T CB -0.090 68.871 68.868 0.156 0.000 1.084 201 T HN 0.552 nan 8.240 nan 0.000 0.522 202 W N 0.323 121.613 121.300 -0.018 0.000 3.032 202 W HA 0.783 5.443 4.660 0.000 0.000 0.335 202 W C -1.122 175.364 176.519 -0.056 0.000 1.154 202 W CA -1.206 56.123 57.345 -0.027 0.000 1.204 202 W CB 1.744 31.242 29.460 0.063 0.000 1.416 202 W HN 0.052 nan 8.180 nan 0.000 0.521 203 I N 1.898 122.556 120.570 0.146 0.000 2.802 203 I HA 0.338 4.509 4.170 0.001 0.000 0.298 203 I C -1.350 174.800 176.117 0.056 0.000 1.176 203 I CA -0.921 60.419 61.300 0.067 0.000 1.025 203 I CB 2.362 40.352 38.000 -0.018 0.000 1.243 203 I HN 0.432 nan 8.210 nan 0.000 0.424 204 Q N 6.729 126.568 119.800 0.065 0.000 2.325 204 Q HA 0.446 4.786 4.340 0.001 0.000 0.270 204 Q C -2.084 173.956 176.000 0.066 0.000 1.020 204 Q CA -0.792 55.033 55.803 0.037 0.000 0.785 204 Q CB 1.660 30.451 28.738 0.088 0.000 1.259 204 Q HN 0.486 nan 8.270 nan 0.000 0.452 205 L N 3.958 125.210 121.223 0.049 0.000 2.276 205 L HA 0.385 4.726 4.340 0.001 0.000 0.286 205 L C -0.815 176.117 176.870 0.102 0.000 1.024 205 L CA -0.402 54.510 54.840 0.120 0.000 0.826 205 L CB 1.318 43.491 42.059 0.191 0.000 1.211 205 L HN 0.724 nan 8.230 nan 0.000 0.422 206 D N 3.213 123.704 120.400 0.151 0.000 2.352 206 D HA 0.181 4.821 4.640 0.001 0.000 0.245 206 D C 0.376 176.743 176.300 0.112 0.000 1.224 206 D CA 0.235 54.315 54.000 0.133 0.000 0.879 206 D CB 0.926 41.890 40.800 0.273 0.000 1.057 206 D HN 0.262 nan 8.370 nan 0.000 0.491 207 E N 3.499 123.697 120.200 -0.003 0.000 3.312 207 E HA 0.114 4.464 4.350 0.001 0.000 0.215 207 E C -1.751 174.777 176.600 -0.121 0.000 1.160 207 E CA -1.430 55.007 56.400 0.062 0.000 1.267 207 E CB 1.124 30.904 29.700 0.132 0.000 1.361 207 E HN 0.372 nan 8.360 nan 0.000 0.433 208 P HA -0.085 nan 4.420 nan 0.000 0.222 208 P C 1.402 178.609 177.300 -0.155 0.000 1.147 208 P CA 0.524 63.278 63.100 -0.577 0.000 0.790 208 P CB 0.380 31.395 31.700 -1.142 0.000 0.780 209 V N 0.266 120.264 119.914 0.142 0.000 2.867 209 V HA -0.179 3.942 4.120 0.001 0.000 0.260 209 V C 2.546 178.717 176.094 0.128 0.000 1.099 209 V CA 1.237 63.689 62.300 0.253 0.000 1.122 209 V CB -1.210 30.784 31.823 0.285 0.000 0.708 209 V HN 0.079 nan 8.190 nan 0.000 0.490 210 L N 0.094 121.304 121.223 -0.022 0.000 2.549 210 L HA -0.017 4.323 4.340 0.001 0.000 0.229 210 L C 1.140 177.957 176.870 -0.089 0.000 1.158 210 L CA 0.307 55.038 54.840 -0.182 0.000 0.842 210 L CB -0.456 41.387 42.059 -0.359 0.000 0.952 210 L HN 0.441 nan 8.230 nan 0.000 0.452 214 L N 2.405 123.638 121.223 0.015 0.000 2.307 214 L HA 0.318 4.659 4.340 0.001 0.000 0.284 214 L C 0.851 177.734 176.870 0.022 0.000 1.023 214 L CA -0.635 54.226 54.840 0.034 0.000 0.810 214 L CB 1.538 43.637 42.059 0.066 0.000 1.231 214 L HN 0.321 nan 8.230 nan 0.000 0.423 215 E N 1.602 121.815 120.200 0.022 0.000 2.392 215 E HA 0.220 4.570 4.350 0.001 0.000 0.256 215 E C 0.844 177.457 176.600 0.022 0.000 1.145 215 E CA 0.070 56.477 56.400 0.012 0.000 0.929 215 E CB 0.631 30.334 29.700 0.005 0.000 0.998 215 E HN 0.693 nan 8.360 nan 0.000 0.442 216 G N 0.998 109.806 108.800 0.012 0.000 2.432 216 G HA2 -0.297 3.664 3.960 0.001 0.000 0.219 216 G HA3 -0.297 3.664 3.960 0.001 0.000 0.219 216 G C 1.332 176.247 174.900 0.024 0.000 1.135 216 G CA 0.678 45.787 45.100 0.015 0.000 0.767 216 G HN 0.481 nan 8.290 nan 0.000 0.550 217 Q N 0.124 119.934 119.800 0.016 0.000 2.167 217 Q HA 0.075 4.415 4.340 0.001 0.000 0.202 217 Q C 2.508 178.522 176.000 0.024 0.000 0.970 217 Q CA 1.134 56.944 55.803 0.011 0.000 0.855 217 Q CB -0.051 28.684 28.738 -0.005 0.000 0.911 217 Q HN 0.438 nan 8.270 nan 0.000 0.438 218 K N -0.303 120.123 120.400 0.044 0.000 2.076 218 K HA 0.025 4.346 4.320 0.001 0.000 0.204 218 K C 1.934 178.654 176.600 0.199 0.000 1.051 218 K CA 0.636 56.967 56.287 0.074 0.000 0.949 218 K CB -0.046 32.503 32.500 0.081 0.000 0.726 218 K HN 0.140 nan 8.250 nan 0.000 0.443 219 L N 1.074 122.418 121.223 0.201 0.000 2.042 219 L HA -0.250 4.090 4.340 0.001 0.000 0.210 219 L C 2.686 179.713 176.870 0.261 0.000 1.076 219 L CA 1.227 56.220 54.840 0.255 0.000 0.749 219 L CB -0.382 41.716 42.059 0.065 0.000 0.893 219 L HN 0.221 nan 8.230 nan 0.000 0.432 220 Q N 0.378 120.257 119.800 0.132 0.000 2.181 220 Q HA -0.189 4.151 4.340 0.001 0.000 0.205 220 Q C 2.080 178.136 176.000 0.094 0.000 0.980 220 Q CA 1.856 57.713 55.803 0.090 0.000 0.862 220 Q CB -0.228 28.535 28.738 0.041 0.000 0.905 220 Q HN 0.446 nan 8.270 nan 0.000 0.429 221 A N -0.812 122.050 122.820 0.070 0.000 2.019 221 A HA -0.112 4.208 4.320 0.001 0.000 0.219 221 A C 1.720 179.276 177.584 -0.046 0.000 1.164 221 A CA 1.220 53.234 52.037 -0.038 0.000 0.644 221 A CB -0.758 18.159 19.000 -0.139 0.000 0.805 221 A HN 0.470 nan 8.150 nan 0.000 0.449 222 F N 0.289 120.260 119.950 0.035 0.000 2.098 222 F HA -0.111 4.416 4.527 0.000 0.000 0.294 222 F C 2.798 178.683 175.800 0.142 0.000 1.107 222 F CA 1.907 59.972 58.000 0.109 0.000 1.234 222 F CB -1.016 38.014 39.000 0.051 0.000 1.002 222 F HN 0.119 nan 8.300 nan 0.000 0.472 223 T N -0.345 114.373 114.554 0.273 0.000 2.597 223 T HA -0.245 4.105 4.350 0.001 0.000 0.267 223 T C 2.297 177.068 174.700 0.117 0.000 1.053 223 T CA 1.730 63.923 62.100 0.154 0.000 1.165 223 T CB -1.254 67.663 68.868 0.081 0.000 0.863 223 T HN 0.464 nan 8.240 nan 0.000 0.427 224 G N 0.787 109.628 108.800 0.068 0.000 2.450 224 G HA2 -0.043 3.917 3.960 0.001 0.000 0.220 224 G HA3 -0.043 3.917 3.960 0.001 0.000 0.220 224 G C 1.768 176.662 174.900 -0.011 0.000 1.130 224 G CA 1.025 46.135 45.100 0.017 0.000 0.760 224 G HN 0.624 nan 8.290 nan 0.000 0.557 225 A N -0.001 122.810 122.820 -0.016 0.000 1.872 225 A HA 0.138 4.458 4.320 0.001 0.000 0.214 225 A C 1.943 179.416 177.584 -0.186 0.000 1.187 225 A CA 0.849 52.803 52.037 -0.138 0.000 0.614 225 A CB -0.456 18.414 19.000 -0.218 0.000 0.826 225 A HN 0.366 nan 8.150 nan 0.000 0.442 226 Y N -0.438 119.838 120.300 -0.040 0.000 2.465 226 Y HA 0.328 4.878 4.550 0.000 0.000 0.311 226 Y C 1.929 177.807 175.900 -0.036 0.000 1.204 226 Y CA 0.327 58.405 58.100 -0.035 0.000 1.272 226 Y CB -0.099 38.359 38.460 -0.003 0.000 1.083 226 Y HN 0.371 nan 8.280 nan 0.000 0.508 227 A N -1.023 121.822 122.820 0.042 0.000 2.074 227 A HA 0.091 4.411 4.320 0.001 0.000 0.200 227 A C 1.746 179.315 177.584 -0.025 0.000 1.335 227 A CA 0.328 52.376 52.037 0.018 0.000 0.922 227 A CB 0.138 19.150 19.000 0.019 0.000 0.972 227 A HN 0.213 nan 8.150 nan 0.000 0.475 228 E N -0.419 119.749 120.200 -0.054 0.000 2.358 228 E HA 0.005 4.356 4.350 0.001 0.000 0.195 228 E C 1.248 177.790 176.600 -0.097 0.000 1.010 228 E CA 0.766 57.122 56.400 -0.074 0.000 0.856 228 E CB -0.076 29.568 29.700 -0.092 0.000 0.795 228 E HN 0.334 nan 8.360 nan 0.000 0.504 229 L N 0.249 121.397 121.223 -0.125 0.000 2.515 229 L HA 0.224 4.564 4.340 0.001 0.000 0.223 229 L C 1.924 178.742 176.870 -0.086 0.000 1.079 229 L CA 0.794 55.549 54.840 -0.141 0.000 0.857 229 L CB -0.369 41.534 42.059 -0.260 0.000 1.050 229 L HN 0.188 nan 8.230 nan 0.000 0.476 230 E N -0.055 120.113 120.200 -0.053 0.000 2.095 230 E HA -0.355 3.995 4.350 0.001 0.000 0.212 230 E C 2.142 178.717 176.600 -0.042 0.000 1.044 230 E CA 2.483 58.864 56.400 -0.033 0.000 0.857 230 E CB -0.006 29.683 29.700 -0.018 0.000 0.764 230 E HN 0.553 nan 8.360 nan 0.000 0.462 231 S N -0.772 114.903 115.700 -0.041 0.000 2.383 231 S HA -0.179 4.291 4.470 0.001 0.000 0.229 231 S C 2.064 176.637 174.600 -0.044 0.000 1.030 231 S CA 1.792 59.968 58.200 -0.038 0.000 1.002 231 S CB -0.723 62.457 63.200 -0.033 0.000 0.829 231 S HN 0.292 nan 8.310 nan 0.000 0.467 232 T N 2.427 116.949 114.554 -0.052 0.000 2.904 232 T HA 0.201 4.552 4.350 0.001 0.000 0.267 232 T C 1.268 175.930 174.700 -0.063 0.000 1.059 232 T CA 0.617 62.684 62.100 -0.056 0.000 1.137 232 T CB -0.236 68.595 68.868 -0.062 0.000 0.879 232 T HN 0.200 nan 8.240 nan 0.000 0.467 233 L N 1.990 123.173 121.223 -0.067 0.000 2.650 233 L HA 0.233 4.574 4.340 0.001 0.000 0.235 233 L C 1.310 178.130 176.870 -0.084 0.000 1.149 233 L CA 0.345 55.139 54.840 -0.077 0.000 0.887 233 L CB -1.787 40.231 42.059 -0.069 0.000 1.021 233 L HN 0.176 nan 8.230 nan 0.000 0.441 234 S N 0.537 116.196 115.700 -0.069 0.000 2.537 234 S HA 0.317 4.787 4.470 0.001 0.000 0.286 234 S C 1.216 175.773 174.600 -0.072 0.000 1.299 234 S CA 0.352 58.513 58.200 -0.065 0.000 1.067 234 S CB 0.112 63.283 63.200 -0.049 0.000 0.864 234 S HN 0.732 nan 8.310 nan 0.000 0.494 235 G N 2.855 111.608 108.800 -0.078 0.000 2.351 235 G HA2 -0.123 3.837 3.960 0.001 0.000 0.297 235 G HA3 -0.123 3.837 3.960 0.001 0.000 0.297 235 G C -0.661 174.173 174.900 -0.109 0.000 1.054 235 G CA 0.372 45.425 45.100 -0.079 0.000 1.123 235 G HN 1.221 nan 8.290 nan 0.000 0.512 236 L N -0.292 120.835 121.223 -0.161 0.000 2.666 236 L HA 0.456 4.796 4.340 0.001 0.000 0.259 236 L C -0.905 175.748 176.870 -0.362 0.000 0.919 236 L CA -1.122 53.584 54.840 -0.223 0.000 0.927 236 L CB 1.596 43.556 42.059 -0.166 0.000 1.423 236 L HN 0.188 nan 8.230 nan 0.000 0.426 237 N N 2.947 121.267 118.700 -0.633 0.000 2.430 237 N HA 0.422 5.162 4.740 0.001 0.000 0.265 237 N C -1.080 173.968 175.510 -0.771 0.000 1.100 237 N CA -0.081 52.347 53.050 -1.036 0.000 0.961 237 N CB 1.840 38.883 38.487 -2.408 0.000 1.075 237 N HN 0.343 nan 8.380 nan 0.000 0.478 238 V N 4.139 123.724 119.914 -0.548 0.000 2.357 238 V HA 0.299 4.419 4.120 0.001 0.000 0.284 238 V C 0.190 176.042 176.094 -0.403 0.000 1.018 238 V CA -0.784 61.309 62.300 -0.346 0.000 0.841 238 V CB 1.997 33.692 31.823 -0.213 0.000 0.991 238 V HN 0.435 nan 8.190 nan 0.000 0.437 239 L N 6.722 127.745 121.223 -0.334 0.000 2.287 239 L HA 0.636 4.976 4.340 0.001 0.000 0.287 239 L C -0.851 175.802 176.870 -0.361 0.000 1.022 239 L CA -0.254 54.297 54.840 -0.481 0.000 0.814 239 L CB 1.802 43.484 42.059 -0.628 0.000 1.217 239 L HN 0.431 nan 8.230 nan 0.000 0.420 240 V N 5.447 125.122 119.914 -0.398 0.000 2.350 240 V HA 0.369 4.489 4.120 0.001 0.000 0.276 240 V C 0.211 176.161 176.094 -0.239 0.000 1.028 240 V CA -0.716 61.438 62.300 -0.244 0.000 0.860 240 V CB 1.537 33.213 31.823 -0.244 0.000 0.990 240 V HN 0.701 nan 8.190 nan 0.000 0.453 241 E N 2.873 122.971 120.200 -0.170 0.000 2.248 241 E HA 0.666 5.016 4.350 0.001 0.000 0.272 241 E C -0.083 176.342 176.600 -0.291 0.000 1.008 241 E CA -0.116 56.187 56.400 -0.163 0.000 0.856 241 E CB 2.167 31.869 29.700 0.004 0.000 1.120 241 E HN 0.851 nan 8.360 nan 0.000 0.397 242 T N -0.398 113.959 114.554 -0.328 0.000 2.956 242 T HA 0.692 5.043 4.350 0.001 0.000 0.312 242 T C -1.052 173.391 174.700 -0.428 0.000 1.151 242 T CA -0.853 60.953 62.100 -0.490 0.000 1.024 242 T CB 0.749 69.522 68.868 -0.159 0.000 1.140 242 T HN 0.427 nan 8.240 nan 0.000 0.473 243 Y N 0.120 120.226 120.300 -0.323 0.000 2.713 243 Y HA 0.749 5.299 4.550 0.001 0.000 0.335 243 Y C -0.144 175.478 175.900 -0.465 0.000 1.222 243 Y CA -2.453 55.416 58.100 -0.387 0.000 1.061 243 Y CB 0.120 38.263 38.460 -0.528 0.000 1.314 243 Y HN 0.652 nan 8.280 nan 0.000 0.453 244 F N -2.342 117.706 119.950 0.164 0.000 2.308 244 F HA 0.024 4.551 4.527 0.000 0.000 0.527 244 F C 0.269 176.103 175.800 0.057 0.000 0.519 244 F CA 0.370 58.411 58.000 0.068 0.000 1.556 244 F CB -1.739 37.251 39.000 -0.017 0.000 2.280 244 F HN 1.321 nan 8.300 nan 0.000 0.256 245 A N -0.488 122.459 122.820 0.213 0.000 2.511 245 A HA 0.559 4.879 4.320 0.001 0.000 0.293 245 A C -1.049 176.586 177.584 0.085 0.000 1.098 245 A CA -0.261 51.858 52.037 0.137 0.000 0.643 245 A CB 0.666 19.743 19.000 0.129 0.000 1.302 245 A HN 0.202 nan 8.150 nan 0.000 0.446 246 D N -0.100 120.330 120.400 0.049 0.000 2.354 246 D HA 0.461 5.101 4.640 0.001 0.000 0.247 246 D C -0.627 175.672 176.300 -0.002 0.000 1.138 246 D CA -0.078 53.925 54.000 0.006 0.000 0.958 246 D CB 0.768 41.549 40.800 -0.030 0.000 1.144 246 D HN 0.243 nan 8.370 nan 0.000 0.458 247 I N 1.217 121.771 120.570 -0.026 0.000 2.315 247 I HA 0.214 4.384 4.170 0.001 0.000 0.291 247 I C -2.130 173.969 176.117 -0.029 0.000 1.006 247 I CA -2.110 59.186 61.300 -0.006 0.000 1.265 247 I CB 0.978 39.014 38.000 0.059 0.000 1.387 247 I HN 0.147 nan 8.210 nan 0.000 0.475 248 P HA -0.014 nan 4.420 nan 0.000 0.266 248 P C 0.440 177.728 177.300 -0.020 0.000 1.193 248 P CA 0.097 63.178 63.100 -0.032 0.000 0.770 248 P CB 0.726 32.410 31.700 -0.027 0.000 0.836 249 A N 3.242 126.040 122.820 -0.037 0.000 1.892 249 A HA -0.256 4.064 4.320 0.001 0.000 0.218 249 A C 1.953 179.551 177.584 0.023 0.000 1.188 249 A CA 1.665 53.689 52.037 -0.021 0.000 0.631 249 A CB -1.033 17.939 19.000 -0.046 0.000 0.822 249 A HN 0.527 nan 8.150 nan 0.000 0.447 250 E N -0.331 119.866 120.200 -0.005 0.000 2.150 250 E HA -0.092 4.259 4.350 0.001 0.000 0.193 250 E C 2.327 178.909 176.600 -0.030 0.000 0.985 250 E CA 1.167 57.559 56.400 -0.013 0.000 0.814 250 E CB -0.588 29.101 29.700 -0.019 0.000 0.752 250 E HN 0.592 nan 8.360 nan 0.000 0.466 251 A N 0.351 123.149 122.820 -0.036 0.000 1.898 251 A HA -0.201 4.119 4.320 0.001 0.000 0.216 251 A C 2.131 179.661 177.584 -0.089 0.000 1.181 251 A CA 1.321 53.305 52.037 -0.089 0.000 0.620 251 A CB -0.814 18.134 19.000 -0.087 0.000 0.819 251 A HN 0.342 nan 8.150 nan 0.000 0.442 252 Y N 0.694 120.905 120.300 -0.149 0.000 2.274 252 Y HA -0.179 4.371 4.550 0.000 0.000 0.290 252 Y C 2.232 178.020 175.900 -0.186 0.000 1.145 252 Y CA 2.121 60.122 58.100 -0.165 0.000 1.203 252 Y CB -0.137 38.227 38.460 -0.159 0.000 0.984 252 Y HN 0.262 nan 8.280 nan 0.000 0.533 253 K N -0.810 119.538 120.400 -0.088 0.000 2.026 253 K HA -0.138 4.182 4.320 0.001 0.000 0.208 253 K C 1.991 178.456 176.600 -0.224 0.000 1.048 253 K CA 1.986 58.183 56.287 -0.150 0.000 0.929 253 K CB -0.368 32.099 32.500 -0.055 0.000 0.713 253 K HN 0.270 nan 8.250 nan 0.000 0.439 254 T N 2.811 117.254 114.554 -0.185 0.000 2.643 254 T HA -0.159 4.191 4.350 0.001 0.000 0.264 254 T C 1.700 176.247 174.700 -0.255 0.000 1.045 254 T CA 1.000 62.993 62.100 -0.178 0.000 1.155 254 T CB -0.326 68.446 68.868 -0.160 0.000 0.863 254 T HN 0.131 nan 8.240 nan 0.000 0.420 255 L N 1.788 122.808 121.223 -0.339 0.000 1.956 255 L HA -0.166 4.174 4.340 0.001 0.000 0.216 255 L C 2.572 179.157 176.870 -0.474 0.000 1.073 255 L CA 2.703 57.316 54.840 -0.379 0.000 0.762 255 L CB -1.538 40.305 42.059 -0.360 0.000 0.889 255 L HN 0.494 nan 8.230 nan 0.000 0.433 256 T N -3.176 110.888 114.554 -0.817 0.000 3.228 256 T HA -0.046 4.305 4.350 0.001 0.000 0.261 256 T C 1.054 175.463 174.700 -0.484 0.000 1.171 256 T CA 0.707 62.157 62.100 -1.085 0.000 1.056 256 T CB -0.680 67.436 68.868 -1.253 0.000 0.938 256 T HN 0.583 nan 8.240 nan 0.000 0.539 257 S N -0.122 115.412 115.700 -0.276 0.000 2.977 257 S HA 0.452 4.922 4.470 0.001 0.000 0.250 257 S C -0.156 174.402 174.600 -0.070 0.000 1.005 257 S CA -0.911 57.205 58.200 -0.140 0.000 1.081 257 S CB -0.466 62.650 63.200 -0.140 0.000 1.018 257 S HN 0.411 nan 8.310 nan 0.000 0.539 258 L N 2.182 123.376 121.223 -0.047 0.000 2.326 258 L HA 0.488 4.829 4.340 0.001 0.000 0.278 258 L C 0.277 177.158 176.870 0.017 0.000 1.092 258 L CA -0.769 54.054 54.840 -0.028 0.000 0.810 258 L CB 0.668 42.624 42.059 -0.171 0.000 1.153 258 L HN 0.058 nan 8.230 nan 0.000 0.439 259 K N 1.888 122.323 120.400 0.059 0.000 2.295 259 K HA 0.272 4.593 4.320 0.001 0.000 0.270 259 K C 1.063 177.695 176.600 0.053 0.000 1.011 259 K CA 0.561 56.873 56.287 0.041 0.000 0.953 259 K CB 0.660 33.181 32.500 0.036 0.000 0.956 259 K HN 0.861 nan 8.250 nan 0.000 0.477 260 G N 0.437 109.236 108.800 -0.003 0.000 2.396 260 G HA2 -0.291 3.669 3.960 0.001 0.000 0.242 260 G HA3 -0.291 3.669 3.960 0.001 0.000 0.242 260 G C 0.159 175.008 174.900 -0.085 0.000 1.069 260 G CA 0.263 45.345 45.100 -0.029 0.000 0.633 260 G HN 0.410 nan 8.290 nan 0.000 0.517 261 V N 2.187 122.046 119.914 -0.093 0.000 2.572 261 V HA 0.473 4.593 4.120 0.001 0.000 0.291 261 V C 1.599 177.491 176.094 -0.337 0.000 1.039 261 V CA 1.446 63.594 62.300 -0.253 0.000 1.055 261 V CB 1.295 32.937 31.823 -0.301 0.000 0.969 261 V HN 0.908 nan 8.190 nan 0.000 0.482 262 T N 0.461 114.749 114.554 -0.443 0.000 2.975 262 T HA 0.583 4.933 4.350 0.001 0.000 0.261 262 T C 0.231 174.727 174.700 -0.340 0.000 0.984 262 T CA 0.474 62.378 62.100 -0.327 0.000 0.911 262 T CB 0.516 69.238 68.868 -0.242 0.000 1.127 262 T HN 0.970 nan 8.240 nan 0.000 0.514 263 A N 0.674 123.088 122.820 -0.677 0.000 2.498 263 A HA 0.788 5.108 4.320 0.001 0.000 0.298 263 A C -1.911 175.023 177.584 -1.083 0.000 1.075 263 A CA -0.848 50.854 52.037 -0.559 0.000 0.714 263 A CB 1.263 20.053 19.000 -0.349 0.000 1.299 263 A HN 0.274 nan 8.150 nan 0.000 0.407 264 F N 0.479 120.312 119.950 -0.196 0.000 2.536 264 F HA 0.583 5.111 4.527 0.000 0.000 0.322 264 F C 0.763 176.159 175.800 -0.672 0.000 1.144 264 F CA -0.652 57.072 58.000 -0.461 0.000 0.924 264 F CB 2.462 41.218 39.000 -0.406 0.000 1.181 264 F HN 0.737 nan 8.300 nan 0.000 0.438 265 G N 2.882 111.368 108.800 -0.523 0.000 2.322 265 G HA2 0.583 4.543 3.960 0.001 0.000 0.309 265 G HA3 0.583 4.543 3.960 0.001 0.000 0.309 265 G C -1.533 173.156 174.900 -0.353 0.000 1.121 265 G CA -0.201 44.696 45.100 -0.339 0.000 0.886 265 G HN 0.295 nan 8.290 nan 0.000 0.447 266 F N 0.914 120.976 119.950 0.187 0.000 2.520 266 F HA 0.322 4.849 4.527 0.000 0.000 0.322 266 F C 0.017 175.898 175.800 0.136 0.000 1.103 266 F CA -1.882 56.204 58.000 0.142 0.000 0.926 266 F CB 2.310 41.400 39.000 0.150 0.000 1.154 266 F HN 0.315 nan 8.300 nan 0.000 0.453 267 D N 3.737 124.332 120.400 0.324 0.000 2.336 267 D HA 0.207 4.848 4.640 0.001 0.000 0.249 267 D C 0.017 176.435 176.300 0.198 0.000 1.213 267 D CA 0.217 54.358 54.000 0.236 0.000 0.870 267 D CB 0.725 41.650 40.800 0.208 0.000 1.076 267 D HN 0.590 nan 8.370 nan 0.000 0.483 268 L N 3.684 125.013 121.223 0.177 0.000 3.110 268 L HA 0.157 4.497 4.340 0.001 0.000 0.266 268 L C 1.112 178.046 176.870 0.107 0.000 1.257 268 L CA -0.295 54.621 54.840 0.128 0.000 1.038 268 L CB 0.833 42.969 42.059 0.128 0.000 1.395 268 L HN 0.258 nan 8.230 nan 0.000 0.566 269 V N -0.999 118.988 119.914 0.121 0.000 2.996 269 V HA 0.114 4.234 4.120 0.001 0.000 0.235 269 V C 1.923 178.084 176.094 0.111 0.000 1.205 269 V CA 0.529 62.898 62.300 0.114 0.000 1.225 269 V CB 0.553 32.456 31.823 0.133 0.000 0.995 269 V HN 0.349 nan 8.190 nan 0.000 0.484 270 R N -0.114 120.466 120.500 0.134 0.000 2.397 270 R HA 0.302 4.642 4.340 0.001 0.000 0.241 270 R C 0.847 177.214 176.300 0.112 0.000 0.914 270 R CA 0.631 56.810 56.100 0.132 0.000 1.071 270 R CB 0.901 31.308 30.300 0.179 0.000 1.116 270 R HN 0.466 nan 8.270 nan 0.000 0.524 271 G N 0.105 108.962 108.800 0.096 0.000 5.102 271 G HA2 -0.050 3.911 3.960 0.001 0.000 0.212 271 G HA3 -0.050 3.911 3.960 0.001 0.000 0.212 271 G C 0.605 175.519 174.900 0.023 0.000 0.832 271 G CA -0.254 44.882 45.100 0.060 0.000 0.718 271 G HN 0.189 nan 8.290 nan 0.000 0.506 272 T N -1.923 112.643 114.554 0.020 0.000 3.007 272 T HA -0.067 4.284 4.350 0.001 0.000 0.270 272 T C 1.899 176.568 174.700 -0.052 0.000 1.107 272 T CA 1.181 63.277 62.100 -0.006 0.000 1.118 272 T CB 0.028 68.900 68.868 0.006 0.000 0.889 272 T HN 0.334 nan 8.240 nan 0.000 0.506 273 K N 0.966 121.334 120.400 -0.054 0.000 2.360 273 K HA -0.094 4.226 4.320 0.001 0.000 0.201 273 K C 1.852 178.364 176.600 -0.148 0.000 1.046 273 K CA 1.283 57.519 56.287 -0.084 0.000 0.940 273 K CB -0.413 32.048 32.500 -0.065 0.000 0.748 273 K HN 0.351 nan 8.250 nan 0.000 0.465 274 T N 1.336 115.782 114.554 -0.179 0.000 2.995 274 T HA -0.037 4.313 4.350 0.001 0.000 0.269 274 T C 1.560 176.042 174.700 -0.363 0.000 1.091 274 T CA 0.613 62.520 62.100 -0.321 0.000 1.128 274 T CB -0.011 68.618 68.868 -0.400 0.000 0.891 274 T HN 0.186 nan 8.240 nan 0.000 0.492 275 L N 1.138 122.222 121.223 -0.231 0.000 2.013 275 L HA -0.186 4.155 4.340 0.001 0.000 0.212 275 L C 2.453 179.207 176.870 -0.193 0.000 1.073 275 L CA 1.347 56.077 54.840 -0.184 0.000 0.753 275 L CB -0.605 41.392 42.059 -0.104 0.000 0.890 275 L HN 0.230 nan 8.230 nan 0.000 0.432 276 D N 0.027 120.316 120.400 -0.185 0.000 2.149 276 D HA -0.169 4.471 4.640 0.001 0.000 0.198 276 D C 2.338 178.500 176.300 -0.230 0.000 0.990 276 D CA 1.226 55.125 54.000 -0.168 0.000 0.839 276 D CB -0.145 40.571 40.800 -0.141 0.000 0.948 276 D HN 0.364 nan 8.370 nan 0.000 0.460 277 L N 0.481 121.476 121.223 -0.379 0.000 2.141 277 L HA -0.093 4.247 4.340 0.001 0.000 0.209 277 L C 2.563 179.121 176.870 -0.520 0.000 1.094 277 L CA 0.420 54.907 54.840 -0.589 0.000 0.763 277 L CB -0.380 41.030 42.059 -1.082 0.000 0.908 277 L HN -0.079 nan 8.230 nan 0.000 0.437 278 V N 0.270 119.959 119.914 -0.375 0.000 2.358 278 V HA -0.250 3.870 4.120 0.001 0.000 0.246 278 V C 2.463 178.560 176.094 0.006 0.000 1.047 278 V CA 1.717 63.983 62.300 -0.057 0.000 1.035 278 V CB -0.459 31.299 31.823 -0.108 0.000 0.658 278 V HN 0.433 nan 8.190 nan 0.000 0.452 279 K N 0.517 120.878 120.400 -0.065 0.000 2.057 279 K HA -0.060 4.260 4.320 0.001 0.000 0.206 279 K C 2.325 178.919 176.600 -0.009 0.000 1.050 279 K CA 1.377 57.645 56.287 -0.031 0.000 0.935 279 K CB -0.459 32.010 32.500 -0.051 0.000 0.715 279 K HN 0.440 nan 8.250 nan 0.000 0.439 280 A N 1.292 124.090 122.820 -0.038 0.000 1.940 280 A HA -0.015 4.306 4.320 0.001 0.000 0.219 280 A C 1.062 178.665 177.584 0.031 0.000 1.176 280 A CA 1.602 53.626 52.037 -0.021 0.000 0.631 280 A CB -0.297 18.668 19.000 -0.058 0.000 0.814 280 A HN 0.406 nan 8.150 nan 0.000 0.446 281 G N -2.525 106.326 108.800 0.084 0.000 2.476 281 G HA2 0.444 4.405 3.960 0.001 0.000 0.309 281 G HA3 0.444 4.405 3.960 0.001 0.000 0.309 281 G C -1.448 173.632 174.900 0.300 0.000 1.575 281 G CA -0.431 44.760 45.100 0.152 0.000 0.913 281 G HN 0.448 nan 8.290 nan 0.000 0.623 282 F N 2.276 122.285 119.950 0.099 0.000 2.588 282 F HA 0.774 5.301 4.527 0.001 0.000 0.310 282 F C -1.992 173.845 175.800 0.062 0.000 1.082 282 F CA -1.699 56.370 58.000 0.114 0.000 0.929 282 F CB 1.995 41.082 39.000 0.146 0.000 1.254 282 F HN 0.473 nan 8.300 nan 0.000 0.455 283 P HA 0.078 nan 4.420 nan 0.000 0.273 283 P C 0.160 177.454 177.300 -0.011 0.000 1.252 283 P CA 0.029 62.980 63.100 -0.248 0.000 0.809 283 P CB 0.577 32.066 31.700 -0.352 0.000 1.017 284 E N -0.036 120.166 120.200 0.004 0.000 2.029 284 E HA -0.014 4.336 4.350 0.001 0.000 0.217 284 E C 1.170 177.813 176.600 0.072 0.000 0.903 284 E CA 1.020 57.447 56.400 0.045 0.000 1.062 284 E CB -0.802 28.907 29.700 0.014 0.000 0.908 284 E HN 0.549 nan 8.360 nan 0.000 0.569 285 G N 1.518 110.334 108.800 0.028 0.000 3.636 285 G HA2 0.088 4.048 3.960 0.001 0.000 0.260 285 G HA3 0.088 4.048 3.960 0.001 0.000 0.260 285 G C -0.252 174.631 174.900 -0.029 0.000 1.014 285 G CA -0.245 44.850 45.100 -0.009 0.000 1.797 285 G HN -0.095 nan 8.290 nan 0.000 0.637 286 K N 0.649 121.102 120.400 0.088 0.000 2.156 286 K HA 0.377 4.698 4.320 0.001 0.000 0.254 286 K C -0.721 176.057 176.600 0.297 0.000 0.950 286 K CA -0.814 55.572 56.287 0.165 0.000 0.849 286 K CB 1.708 34.338 32.500 0.216 0.000 1.100 286 K HN 0.265 nan 8.250 nan 0.000 0.434 287 Y N 0.770 121.244 120.300 0.290 0.000 2.301 287 Y HA 0.341 4.892 4.550 0.000 0.000 0.328 287 Y C 0.550 176.740 175.900 0.484 0.000 1.242 287 Y CA -0.450 57.872 58.100 0.370 0.000 1.323 287 Y CB 0.750 39.494 38.460 0.473 0.000 1.266 287 Y HN 0.293 nan 8.280 nan 0.000 0.527 288 L N 3.310 124.859 121.223 0.544 0.000 2.376 288 L HA 0.483 4.823 4.340 0.001 0.000 0.275 288 L C -1.783 175.314 176.870 0.378 0.000 0.987 288 L CA -0.692 54.408 54.840 0.433 0.000 0.828 288 L CB 0.556 42.674 42.059 0.099 0.000 1.249 288 L HN 0.473 nan 8.230 nan 0.000 0.409 289 F N 4.234 124.197 119.950 0.021 0.000 2.335 289 F HA 0.401 4.928 4.527 0.001 0.000 0.365 289 F C 0.855 176.696 175.800 0.069 0.000 1.122 289 F CA -0.735 57.256 58.000 -0.015 0.000 1.151 289 F CB 1.261 40.163 39.000 -0.165 0.000 1.282 289 F HN 0.487 nan 8.300 nan 0.000 0.513 290 A N 2.858 125.792 122.820 0.191 0.000 2.437 290 A HA 0.510 4.830 4.320 0.001 0.000 0.303 290 A C 0.971 178.665 177.584 0.183 0.000 1.324 290 A CA -0.195 51.956 52.037 0.191 0.000 0.983 290 A CB -0.471 18.602 19.000 0.122 0.000 1.142 290 A HN 0.856 nan 8.150 nan 0.000 0.541 291 G N 2.066 110.998 108.800 0.219 0.000 2.985 291 G HA2 0.368 4.328 3.960 0.001 0.000 0.282 291 G HA3 0.368 4.328 3.960 0.001 0.000 0.282 291 G C 0.707 175.699 174.900 0.154 0.000 0.791 291 G CA 0.394 45.610 45.100 0.195 0.000 1.934 291 G HN 1.313 nan 8.290 nan 0.000 0.563 292 V N 0.399 120.385 119.914 0.120 0.000 3.471 292 V HA 0.179 4.300 4.120 0.001 0.000 0.258 292 V C 0.859 177.008 176.094 0.091 0.000 1.192 292 V CA 0.102 62.461 62.300 0.099 0.000 1.116 292 V CB -0.034 31.835 31.823 0.077 0.000 0.792 292 V HN 0.147 nan 8.190 nan 0.000 0.459 293 V N 3.061 123.025 119.914 0.083 0.000 2.389 293 V HA 0.290 4.411 4.120 0.001 0.000 0.264 293 V C 0.101 176.253 176.094 0.097 0.000 1.049 293 V CA -0.299 62.048 62.300 0.078 0.000 0.932 293 V CB 0.621 32.472 31.823 0.047 0.000 1.011 293 V HN 0.419 nan 8.190 nan 0.000 0.475 294 D N 4.583 125.050 120.400 0.111 0.000 2.502 294 D HA 0.045 4.685 4.640 0.001 0.000 0.249 294 D C 1.067 177.425 176.300 0.097 0.000 1.188 294 D CA 0.715 54.788 54.000 0.120 0.000 0.890 294 D CB 1.416 42.299 40.800 0.139 0.000 1.140 294 D HN 0.678 nan 8.370 nan 0.000 0.505 295 G N 3.581 112.447 108.800 0.109 0.000 3.434 295 G HA2 0.000 3.960 3.960 0.001 0.000 0.258 295 G HA3 0.000 3.960 3.960 0.001 0.000 0.258 295 G C 1.247 176.225 174.900 0.129 0.000 1.128 295 G CA -0.279 44.873 45.100 0.087 0.000 0.792 295 G HN 0.448 nan 8.290 nan 0.000 0.539 296 R N -0.990 119.598 120.500 0.146 0.000 2.419 296 R HA 0.235 4.575 4.340 0.001 0.000 0.235 296 R C 0.282 176.699 176.300 0.195 0.000 0.899 296 R CA -0.162 56.052 56.100 0.190 0.000 1.048 296 R CB 0.376 30.785 30.300 0.181 0.000 1.182 296 R HN 0.181 nan 8.270 nan 0.000 0.544 297 N N -0.620 118.126 118.700 0.078 0.000 3.100 297 N HA 0.231 4.971 4.740 0.001 0.000 0.344 297 N C -0.373 174.854 175.510 -0.471 0.000 1.413 297 N CA -0.357 52.654 53.050 -0.065 0.000 0.752 297 N CB 1.334 39.874 38.487 0.088 0.000 1.519 297 N HN -0.134 nan 8.380 nan 0.000 0.620 298 I N -0.189 119.892 120.570 -0.815 0.000 4.154 298 I HA 0.333 4.504 4.170 0.001 0.000 0.334 298 I C -0.677 175.100 176.117 -0.567 0.000 1.371 298 I CA -0.363 60.398 61.300 -0.899 0.000 1.110 298 I CB 0.138 37.298 38.000 -1.398 0.000 1.085 298 I HN 0.353 nan 8.210 nan 0.000 0.398 299 W N 1.192 122.479 121.300 -0.023 0.000 2.303 299 W HA 0.632 5.292 4.660 0.000 0.000 0.334 299 W C 0.705 177.266 176.519 0.070 0.000 1.197 299 W CA -0.988 56.385 57.345 0.047 0.000 1.262 299 W CB 0.445 29.924 29.460 0.031 0.000 1.153 299 W HN -0.032 nan 8.180 nan 0.000 0.596 300 A N 3.146 126.180 122.820 0.357 0.000 2.440 300 A HA 0.077 4.398 4.320 0.001 0.000 0.251 300 A C 0.404 178.127 177.584 0.232 0.000 1.089 300 A CA -0.444 51.738 52.037 0.241 0.000 0.779 300 A CB 0.004 19.112 19.000 0.180 0.000 1.022 300 A HN 0.742 nan 8.150 nan 0.000 0.492 301 N N 0.827 119.695 118.700 0.280 0.000 2.381 301 N HA -0.060 4.681 4.740 0.001 0.000 0.241 301 N C -0.864 174.817 175.510 0.285 0.000 1.279 301 N CA 0.058 53.284 53.050 0.295 0.000 0.896 301 N CB 0.566 39.237 38.487 0.308 0.000 1.118 301 N HN 0.649 nan 8.380 nan 0.000 0.438 302 D N 3.138 123.675 120.400 0.228 0.000 2.564 302 D HA 0.076 4.716 4.640 0.001 0.000 0.226 302 D C 0.942 177.413 176.300 0.285 0.000 1.149 302 D CA -0.493 53.604 54.000 0.162 0.000 0.994 302 D CB -0.436 40.416 40.800 0.087 0.000 1.029 302 D HN 0.332 nan 8.370 nan 0.000 0.517 303 F N 1.974 121.906 119.950 -0.030 0.000 2.085 303 F HA -0.285 4.242 4.527 0.000 0.000 0.299 303 F C 2.517 178.383 175.800 0.110 0.000 1.096 303 F CA 1.162 59.139 58.000 -0.038 0.000 1.227 303 F CB -1.435 37.379 39.000 -0.309 0.000 0.983 303 F HN 0.420 nan 8.300 nan 0.000 0.482 304 A N 0.069 123.082 122.820 0.321 0.000 1.859 304 A HA -0.136 4.185 4.320 0.001 0.000 0.217 304 A C 2.527 180.207 177.584 0.160 0.000 1.198 304 A CA 2.706 54.883 52.037 0.233 0.000 0.629 304 A CB -1.425 17.665 19.000 0.150 0.000 0.830 304 A HN 0.349 nan 8.150 nan 0.000 0.446 305 A N -0.832 122.062 122.820 0.124 0.000 1.858 305 A HA -0.073 4.248 4.320 0.001 0.000 0.216 305 A C 2.446 180.085 177.584 0.091 0.000 1.190 305 A CA 2.164 54.253 52.037 0.087 0.000 0.617 305 A CB -1.078 17.961 19.000 0.065 0.000 0.827 305 A HN 0.492 nan 8.150 nan 0.000 0.443 306 S N -0.210 115.556 115.700 0.110 0.000 2.374 306 S HA -0.181 4.289 4.470 0.001 0.000 0.227 306 S C 1.852 176.505 174.600 0.088 0.000 1.037 306 S CA 1.556 59.810 58.200 0.090 0.000 1.024 306 S CB -0.502 62.745 63.200 0.079 0.000 0.861 306 S HN 0.484 nan 8.310 nan 0.000 0.456 307 L N 0.787 122.086 121.223 0.126 0.000 1.994 307 L HA -0.140 4.201 4.340 0.001 0.000 0.208 307 L C 2.752 179.668 176.870 0.077 0.000 1.071 307 L CA 1.461 56.373 54.840 0.120 0.000 0.745 307 L CB -0.535 41.632 42.059 0.180 0.000 0.892 307 L HN 0.338 nan 8.230 nan 0.000 0.431 308 S N -1.201 114.543 115.700 0.073 0.000 2.374 308 S HA -0.237 4.233 4.470 0.001 0.000 0.227 308 S C 1.897 176.518 174.600 0.036 0.000 1.037 308 S CA 2.176 60.404 58.200 0.047 0.000 1.024 308 S CB -0.248 62.978 63.200 0.043 0.000 0.861 308 S HN 0.495 nan 8.310 nan 0.000 0.456 309 T N 2.756 117.334 114.554 0.040 0.000 2.614 309 T HA 0.023 4.374 4.350 0.001 0.000 0.263 309 T C 1.785 176.501 174.700 0.027 0.000 1.055 309 T CA 1.573 63.692 62.100 0.031 0.000 1.162 309 T CB -0.583 68.308 68.868 0.039 0.000 0.863 309 T HN 0.338 nan 8.240 nan 0.000 0.414 310 L N 0.981 122.226 121.223 0.036 0.000 2.081 310 L HA -0.229 4.111 4.340 0.001 0.000 0.212 310 L C 2.908 179.790 176.870 0.020 0.000 1.080 310 L CA 1.489 56.347 54.840 0.029 0.000 0.754 310 L CB -0.651 41.429 42.059 0.035 0.000 0.893 310 L HN 0.396 nan 8.230 nan 0.000 0.433 311 Q N -0.524 119.289 119.800 0.023 0.000 2.046 311 Q HA -0.155 4.185 4.340 0.001 0.000 0.200 311 Q C 2.503 178.507 176.000 0.007 0.000 0.975 311 Q CA 1.426 57.238 55.803 0.015 0.000 0.836 311 Q CB -0.268 28.480 28.738 0.017 0.000 0.896 311 Q HN 0.570 nan 8.270 nan 0.000 0.428 312 A N 1.060 123.884 122.820 0.006 0.000 1.940 312 A HA -0.161 4.160 4.320 0.001 0.000 0.219 312 A C 2.070 179.647 177.584 -0.011 0.000 1.176 312 A CA 1.145 53.181 52.037 -0.002 0.000 0.631 312 A CB -0.627 18.371 19.000 -0.003 0.000 0.814 312 A HN 0.276 nan 8.150 nan 0.000 0.446 313 L N -0.899 120.316 121.223 -0.012 0.000 2.156 313 L HA -0.138 4.202 4.340 0.001 0.000 0.208 313 L C 2.428 179.281 176.870 -0.027 0.000 1.095 313 L CA 1.163 55.986 54.840 -0.030 0.000 0.770 313 L CB -0.483 41.563 42.059 -0.021 0.000 0.914 313 L HN 0.442 nan 8.230 nan 0.000 0.439 314 E N 0.089 120.283 120.200 -0.009 0.000 2.265 314 E HA -0.165 4.186 4.350 0.001 0.000 0.196 314 E C 2.175 178.773 176.600 -0.004 0.000 0.996 314 E CA 0.827 57.225 56.400 -0.004 0.000 0.832 314 E CB -0.155 29.547 29.700 0.004 0.000 0.756 314 E HN 0.582 nan 8.360 nan 0.000 0.491 315 G N 1.684 110.480 108.800 -0.006 0.000 2.421 315 G HA2 -0.215 3.745 3.960 0.001 0.000 0.216 315 G HA3 -0.215 3.745 3.960 0.001 0.000 0.216 315 G C 1.495 176.394 174.900 -0.002 0.000 1.171 315 G CA 0.401 45.499 45.100 -0.003 0.000 0.775 315 G HN 0.111 nan 8.290 nan 0.000 0.543 316 I N 0.560 121.121 120.570 -0.015 0.000 2.454 316 I HA -0.028 4.142 4.170 0.001 0.000 0.254 316 I C 1.850 177.972 176.117 0.008 0.000 1.156 316 I CA 0.885 62.178 61.300 -0.011 0.000 1.433 316 I CB -0.970 36.996 38.000 -0.058 0.000 1.082 316 I HN 0.171 nan 8.210 nan 0.000 0.432 317 V N -1.293 118.619 119.914 -0.003 0.000 5.699 317 V HA 0.592 4.712 4.120 0.001 0.000 0.097 317 V C 1.645 177.745 176.094 0.010 0.000 0.952 317 V CA 0.231 62.542 62.300 0.018 0.000 1.203 317 V CB -0.588 31.250 31.823 0.025 0.000 1.952 317 V HN 0.124 nan 8.190 nan 0.000 0.563 318 G N 0.696 109.500 108.800 0.006 0.000 2.302 318 G HA2 -0.357 3.603 3.960 0.001 0.000 0.263 318 G HA3 -0.357 3.603 3.960 0.001 0.000 0.263 318 G C 0.600 175.507 174.900 0.012 0.000 0.995 318 G CA 0.842 45.948 45.100 0.010 0.000 0.622 318 G HN 0.559 nan 8.290 nan 0.000 0.538 319 K N 1.389 121.793 120.400 0.007 0.000 3.156 319 K HA 0.280 4.600 4.320 0.001 0.000 0.276 319 K C 0.526 177.128 176.600 0.004 0.000 0.852 319 K CA 0.569 56.858 56.287 0.003 0.000 1.083 319 K CB -0.507 31.990 32.500 -0.005 0.000 1.018 319 K HN 0.606 nan 8.250 nan 0.000 0.444 320 D N -0.527 119.888 120.400 0.025 0.000 2.947 320 D HA -0.146 4.495 4.640 0.001 0.000 0.224 320 D C 0.468 176.814 176.300 0.077 0.000 1.132 320 D CA 0.581 54.618 54.000 0.063 0.000 0.801 320 D CB -0.421 40.425 40.800 0.076 0.000 1.097 320 D HN 0.159 nan 8.370 nan 0.000 0.431 321 K N -0.401 120.012 120.400 0.021 0.000 2.391 321 K HA 0.215 4.535 4.320 0.001 0.000 0.197 321 K C 0.646 177.339 176.600 0.154 0.000 1.087 321 K CA -0.208 56.060 56.287 -0.033 0.000 1.012 321 K CB 0.731 33.161 32.500 -0.117 0.000 0.925 321 K HN 0.317 nan 8.250 nan 0.000 0.547 322 L N 2.507 123.782 121.223 0.087 0.000 2.290 322 L HA 0.261 4.601 4.340 0.001 0.000 0.284 322 L C -0.936 175.929 176.870 -0.008 0.000 1.078 322 L CA -0.166 54.702 54.840 0.046 0.000 0.815 322 L CB 1.052 43.122 42.059 0.019 0.000 1.162 322 L HN -0.264 nan 8.230 nan 0.000 0.435 323 V N 5.769 125.598 119.914 -0.141 0.000 2.483 323 V HA 0.294 4.415 4.120 0.001 0.000 0.297 323 V C 0.164 176.134 176.094 -0.206 0.000 1.027 323 V CA -0.806 61.303 62.300 -0.317 0.000 0.855 323 V CB 2.054 33.243 31.823 -1.056 0.000 0.995 323 V HN 0.509 nan 8.190 nan 0.000 0.424 324 V N 3.928 123.792 119.914 -0.083 0.000 2.637 324 V HA 0.523 4.644 4.120 0.001 0.000 0.296 324 V C 0.540 176.658 176.094 0.041 0.000 1.046 324 V CA 0.607 62.900 62.300 -0.010 0.000 1.066 324 V CB 1.263 33.081 31.823 -0.008 0.000 0.968 324 V HN 0.974 nan 8.190 nan 0.000 0.483 325 S N 2.111 117.874 115.700 0.106 0.000 2.705 325 S HA 0.693 5.163 4.470 0.001 0.000 0.280 325 S C -0.359 174.333 174.600 0.152 0.000 1.174 325 S CA -0.104 58.219 58.200 0.205 0.000 0.823 325 S CB 2.209 65.657 63.200 0.414 0.000 1.162 325 S HN 1.014 nan 8.310 nan 0.000 0.487 326 T N 0.359 115.001 114.554 0.146 0.000 2.907 326 T HA 0.417 4.767 4.350 0.001 0.000 0.284 326 T C 1.445 176.234 174.700 0.148 0.000 1.004 326 T CA 0.097 62.263 62.100 0.111 0.000 1.063 326 T CB 1.175 70.082 68.868 0.064 0.000 0.992 326 T HN 0.823 nan 8.240 nan 0.000 0.483 327 S N 0.550 116.334 115.700 0.141 0.000 2.419 327 S HA -0.012 4.458 4.470 0.001 0.000 0.233 327 S C 1.197 175.891 174.600 0.157 0.000 1.016 327 S CA 0.215 58.515 58.200 0.168 0.000 0.974 327 S CB -1.392 61.908 63.200 0.167 0.000 0.786 327 S HN 1.353 nan 8.310 nan 0.000 0.492 328 C N -1.369 117.984 119.300 0.089 0.000 3.249 328 C HA 0.745 5.205 4.460 0.001 0.000 0.350 328 C C 0.003 174.957 174.990 -0.061 0.000 1.431 328 C CA -0.665 58.303 59.018 -0.084 0.000 1.209 328 C CB 0.806 28.498 27.740 -0.081 0.000 1.546 328 C HN 0.265 nan 8.230 nan 0.000 0.450 329 S N -0.194 115.404 115.700 -0.171 0.000 2.552 329 S HA 0.220 4.690 4.470 0.001 0.000 0.289 329 S C 0.795 175.357 174.600 -0.062 0.000 1.304 329 S CA -0.347 57.791 58.200 -0.103 0.000 1.063 329 S CB -0.201 62.894 63.200 -0.175 0.000 0.848 329 S HN 0.678 nan 8.310 nan 0.000 0.499 330 L N 5.826 126.980 121.223 -0.115 0.000 2.675 330 L HA 0.042 4.382 4.340 0.001 0.000 0.238 330 L C 2.103 178.792 176.870 -0.302 0.000 1.155 330 L CA 0.140 54.876 54.840 -0.174 0.000 0.881 330 L CB -0.534 41.387 42.059 -0.230 0.000 1.008 330 L HN 0.730 nan 8.230 nan 0.000 0.443 331 L N -0.052 120.935 121.223 -0.393 0.000 2.127 331 L HA -0.212 4.128 4.340 0.001 0.000 0.211 331 L C 1.915 178.448 176.870 -0.562 0.000 1.089 331 L CA 1.313 55.813 54.840 -0.566 0.000 0.757 331 L CB -0.287 41.278 42.059 -0.824 0.000 0.899 331 L HN 0.492 nan 8.230 nan 0.000 0.434 332 H N -0.836 118.180 119.070 -0.090 0.000 2.592 332 H HA 0.176 4.732 4.556 0.001 0.000 0.291 332 H C 0.222 175.570 175.328 0.035 0.000 1.052 332 H CA 0.386 56.436 56.048 0.003 0.000 1.175 332 H CB -0.075 29.736 29.762 0.082 0.000 1.378 332 H HN 0.235 nan 8.280 nan 0.000 0.576 333 T N -0.612 113.932 114.554 -0.016 0.000 2.812 333 T HA 0.626 4.977 4.350 0.001 0.000 0.294 333 T C -0.833 173.748 174.700 -0.198 0.000 1.159 333 T CA -0.385 61.662 62.100 -0.089 0.000 1.008 333 T CB 1.596 70.355 68.868 -0.182 0.000 1.289 333 T HN 0.246 nan 8.240 nan 0.000 0.514 334 A N 1.457 124.030 122.820 -0.411 0.000 2.332 334 A HA 0.547 4.868 4.320 0.001 0.000 0.258 334 A C 1.577 179.062 177.584 -0.165 0.000 1.087 334 A CA -0.219 51.600 52.037 -0.364 0.000 0.802 334 A CB -0.007 18.519 19.000 -0.790 0.000 1.042 334 A HN 0.782 nan 8.150 nan 0.000 0.489 335 V N 0.633 120.559 119.914 0.021 0.000 2.216 335 V HA -0.054 4.067 4.120 0.001 0.000 0.243 335 V C 0.770 176.989 176.094 0.209 0.000 1.044 335 V CA 2.209 64.548 62.300 0.065 0.000 0.995 335 V CB -0.539 31.336 31.823 0.088 0.000 0.633 335 V HN 0.885 nan 8.190 nan 0.000 0.446 336 D N -1.195 119.385 120.400 0.300 0.000 2.863 336 D HA 0.265 4.905 4.640 0.001 0.000 0.245 336 D C 0.008 176.267 176.300 -0.069 0.000 1.211 336 D CA -0.564 53.533 54.000 0.162 0.000 0.888 336 D CB 2.151 43.005 40.800 0.091 0.000 1.483 336 D HN 0.035 nan 8.370 nan 0.000 0.533 337 L N 4.543 125.479 121.223 -0.479 0.000 2.551 337 L HA 0.141 4.481 4.340 0.001 0.000 0.228 337 L C 1.542 178.151 176.870 -0.435 0.000 1.153 337 L CA 0.889 55.123 54.840 -1.010 0.000 0.851 337 L CB -0.353 41.106 42.059 -0.999 0.000 0.959 337 L HN 0.523 nan 8.230 nan 0.000 0.451 338 I N -0.116 120.324 120.570 -0.216 0.000 2.676 338 I HA -0.138 4.032 4.170 0.001 0.000 0.259 338 I C 1.308 177.375 176.117 -0.083 0.000 1.194 338 I CA 0.897 62.126 61.300 -0.120 0.000 1.473 338 I CB -0.367 37.598 38.000 -0.057 0.000 1.096 338 I HN 0.311 nan 8.210 nan 0.000 0.443 339 N N 1.024 119.686 118.700 -0.064 0.000 2.362 339 N HA 0.027 4.768 4.740 0.001 0.000 0.204 339 N C -0.256 175.251 175.510 -0.004 0.000 1.166 339 N CA 0.249 53.298 53.050 -0.002 0.000 0.831 339 N CB -0.079 38.446 38.487 0.063 0.000 1.008 339 N HN 0.202 nan 8.380 nan 0.000 0.472 340 E N 0.012 120.168 120.200 -0.074 0.000 2.042 340 E HA 0.121 4.471 4.350 0.001 0.000 0.260 340 E C 0.806 177.375 176.600 -0.051 0.000 0.975 340 E CA -0.059 56.305 56.400 -0.060 0.000 0.799 340 E CB 0.481 30.096 29.700 -0.142 0.000 1.131 340 E HN 0.276 nan 8.360 nan 0.000 0.423 341 T N -0.940 113.605 114.554 -0.015 0.000 3.057 341 T HA 0.058 4.408 4.350 0.001 0.000 0.254 341 T C 1.256 175.948 174.700 -0.013 0.000 1.094 341 T CA 0.186 62.276 62.100 -0.016 0.000 1.088 341 T CB 0.377 69.245 68.868 -0.000 0.000 0.934 341 T HN -0.010 nan 8.240 nan 0.000 0.497 342 K N 1.323 121.724 120.400 0.000 0.000 2.121 342 K HA 0.366 4.687 4.320 0.001 0.000 0.203 342 K C 1.085 177.680 176.600 -0.009 0.000 1.041 342 K CA -0.037 56.253 56.287 0.005 0.000 0.969 342 K CB -0.817 31.702 32.500 0.031 0.000 0.799 342 K HN 0.369 nan 8.250 nan 0.000 0.456 343 L N 3.736 124.953 121.223 -0.010 0.000 2.593 343 L HA -0.133 4.207 4.340 0.001 0.000 0.287 343 L C 0.144 176.966 176.870 -0.081 0.000 1.243 343 L CA -0.095 54.722 54.840 -0.037 0.000 0.890 343 L CB -0.290 41.744 42.059 -0.042 0.000 1.134 343 L HN 0.335 nan 8.230 nan 0.000 0.502 344 D N 0.245 120.579 120.400 -0.110 0.000 2.389 344 D HA 0.047 4.687 4.640 0.001 0.000 0.247 344 D C 0.498 176.683 176.300 -0.191 0.000 1.128 344 D CA -0.569 53.348 54.000 -0.137 0.000 0.884 344 D CB 0.799 41.513 40.800 -0.144 0.000 1.194 344 D HN 0.441 nan 8.370 nan 0.000 0.441 345 D N 1.121 121.423 120.400 -0.164 0.000 2.268 345 D HA -0.346 4.294 4.640 0.001 0.000 0.189 345 D C 1.547 177.681 176.300 -0.276 0.000 1.010 345 D CA 2.047 55.940 54.000 -0.178 0.000 0.862 345 D CB -0.184 40.535 40.800 -0.136 0.000 0.943 345 D HN 0.826 nan 8.370 nan 0.000 0.451 346 E N -0.061 119.936 120.200 -0.338 0.000 2.097 346 E HA -0.221 4.130 4.350 0.001 0.000 0.196 346 E C 2.209 178.204 176.600 -1.008 0.000 1.000 346 E CA 0.942 57.005 56.400 -0.561 0.000 0.804 346 E CB -0.259 29.137 29.700 -0.507 0.000 0.740 346 E HN 0.400 nan 8.360 nan 0.000 0.454 347 I N 0.299 120.391 120.570 -0.797 0.000 2.233 347 I HA -0.243 3.927 4.170 0.001 0.000 0.243 347 I C 2.054 177.963 176.117 -0.347 0.000 1.093 347 I CA 1.178 62.034 61.300 -0.740 0.000 1.380 347 I CB -0.001 37.742 38.000 -0.428 0.000 1.067 347 I HN 0.065 nan 8.210 nan 0.000 0.413 348 K N 0.594 120.840 120.400 -0.258 0.000 2.152 348 K HA -0.185 4.135 4.320 0.001 0.000 0.206 348 K C 1.969 178.510 176.600 -0.098 0.000 1.048 348 K CA 1.797 57.993 56.287 -0.151 0.000 0.933 348 K CB -0.319 32.082 32.500 -0.165 0.000 0.721 348 K HN 0.454 nan 8.250 nan 0.000 0.447 349 S N -0.288 115.311 115.700 -0.167 0.000 2.507 349 S HA -0.092 4.378 4.470 0.001 0.000 0.235 349 S C 0.447 175.158 174.600 0.184 0.000 0.988 349 S CA 0.082 58.251 58.200 -0.051 0.000 0.944 349 S CB -0.237 62.902 63.200 -0.102 0.000 0.762 349 S HN 0.188 nan 8.310 nan 0.000 0.526 353 F N 0.980 120.877 119.950 -0.088 0.000 2.544 353 F HA 0.772 5.299 4.527 0.001 0.000 0.378 353 F C 1.904 177.660 175.800 -0.074 0.000 1.112 353 F CA -0.418 57.511 58.000 -0.118 0.000 1.115 353 F CB 0.608 39.546 39.000 -0.103 0.000 1.436 353 F HN 0.778 nan 8.300 nan 0.000 0.496 354 A N 0.798 123.674 122.820 0.092 0.000 1.869 354 A HA -0.199 4.121 4.320 0.001 0.000 0.218 354 A C 2.174 179.843 177.584 0.141 0.000 1.203 354 A CA 2.966 54.996 52.037 -0.012 0.000 0.638 354 A CB -1.558 17.256 19.000 -0.310 0.000 0.831 354 A HN 0.790 nan 8.150 nan 0.000 0.450 355 A N -1.644 121.293 122.820 0.195 0.000 1.948 355 A HA -0.227 4.093 4.320 0.001 0.000 0.220 355 A C 2.055 179.716 177.584 0.129 0.000 1.177 355 A CA 2.183 54.341 52.037 0.202 0.000 0.636 355 A CB -0.514 18.582 19.000 0.160 0.000 0.815 355 A HN 0.578 nan 8.150 nan 0.000 0.449 356 Q N -0.318 119.548 119.800 0.110 0.000 2.230 356 Q HA 0.001 4.341 4.340 0.001 0.000 0.202 356 Q C 1.900 177.956 176.000 0.094 0.000 0.963 356 Q CA 1.520 57.376 55.803 0.087 0.000 0.866 356 Q CB -0.168 28.615 28.738 0.075 0.000 0.931 356 Q HN 0.719 nan 8.270 nan 0.000 0.452 357 K N -0.499 119.961 120.400 0.100 0.000 2.155 357 K HA -0.012 4.308 4.320 0.001 0.000 0.203 357 K C 1.838 178.474 176.600 0.061 0.000 1.052 357 K CA 0.862 57.195 56.287 0.077 0.000 0.948 357 K CB 0.073 32.615 32.500 0.070 0.000 0.728 357 K HN 0.007 nan 8.250 nan 0.000 0.448 358 V N 1.042 121.011 119.914 0.091 0.000 2.407 358 V HA -0.213 3.908 4.120 0.001 0.000 0.248 358 V C 2.169 178.278 176.094 0.025 0.000 1.055 358 V CA 1.452 63.795 62.300 0.072 0.000 1.049 358 V CB -0.297 31.583 31.823 0.096 0.000 0.662 358 V HN 0.073 nan 8.190 nan 0.000 0.455 359 V N -0.166 119.765 119.914 0.028 0.000 2.379 359 V HA -0.197 3.923 4.120 0.001 0.000 0.245 359 V C 2.387 178.451 176.094 -0.051 0.000 1.044 359 V CA 1.753 64.057 62.300 0.006 0.000 1.036 359 V CB -0.688 31.156 31.823 0.034 0.000 0.664 359 V HN 0.600 nan 8.190 nan 0.000 0.453 360 E N 0.407 120.566 120.200 -0.069 0.000 2.049 360 E HA -0.213 4.137 4.350 0.001 0.000 0.198 360 E C 2.302 178.726 176.600 -0.293 0.000 1.007 360 E CA 1.756 57.993 56.400 -0.272 0.000 0.809 360 E CB -0.438 29.160 29.700 -0.170 0.000 0.749 360 E HN 0.446 nan 8.360 nan 0.000 0.450 361 V N 2.473 122.306 119.914 -0.136 0.000 2.324 361 V HA -0.292 3.828 4.120 0.001 0.000 0.250 361 V C 1.971 178.015 176.094 -0.084 0.000 1.060 361 V CA 1.831 64.079 62.300 -0.088 0.000 1.042 361 V CB -0.542 31.270 31.823 -0.019 0.000 0.650 361 V HN 0.297 nan 8.190 nan 0.000 0.450 362 N N -0.160 118.497 118.700 -0.072 0.000 2.300 362 N HA -0.026 4.714 4.740 0.001 0.000 0.179 362 N C 1.898 177.382 175.510 -0.043 0.000 1.016 362 N CA 1.369 54.390 53.050 -0.047 0.000 0.876 362 N CB -0.108 38.361 38.487 -0.030 0.000 0.979 362 N HN 0.507 nan 8.380 nan 0.000 0.432 363 A N 1.448 124.213 122.820 -0.092 0.000 1.898 363 A HA -0.021 4.300 4.320 0.001 0.000 0.216 363 A C 2.343 179.948 177.584 0.034 0.000 1.181 363 A CA 0.779 52.796 52.037 -0.034 0.000 0.620 363 A CB -0.662 18.231 19.000 -0.179 0.000 0.819 363 A HN 0.158 nan 8.150 nan 0.000 0.442 364 L N -0.743 120.402 121.223 -0.130 0.000 2.083 364 L HA -0.186 4.154 4.340 0.001 0.000 0.209 364 L C 3.064 179.952 176.870 0.031 0.000 1.083 364 L CA 0.985 55.806 54.840 -0.030 0.000 0.752 364 L CB -0.506 41.463 42.059 -0.150 0.000 0.899 364 L HN 0.443 nan 8.230 nan 0.000 0.433 365 A N -0.266 122.551 122.820 -0.004 0.000 1.873 365 A HA -0.162 4.158 4.320 0.001 0.000 0.215 365 A C 2.334 179.928 177.584 0.018 0.000 1.186 365 A CA 1.296 53.334 52.037 0.001 0.000 0.616 365 A CB -0.249 18.740 19.000 -0.018 0.000 0.823 365 A HN 0.158 nan 8.150 nan 0.000 0.442 366 K N 0.052 120.472 120.400 0.032 0.000 2.026 366 K HA -0.068 4.253 4.320 0.001 0.000 0.208 366 K C 2.266 178.888 176.600 0.038 0.000 1.048 366 K CA 1.385 57.694 56.287 0.037 0.000 0.929 366 K CB -0.969 31.565 32.500 0.057 0.000 0.713 366 K HN 0.443 nan 8.250 nan 0.000 0.439 367 A N 1.454 124.320 122.820 0.077 0.000 1.948 367 A HA -0.144 4.177 4.320 0.001 0.000 0.220 367 A C 2.267 179.847 177.584 -0.007 0.000 1.177 367 A CA 1.357 53.400 52.037 0.009 0.000 0.636 367 A CB -0.624 18.418 19.000 0.069 0.000 0.815 367 A HN 0.216 nan 8.150 nan 0.000 0.449 368 L N -1.367 119.868 121.223 0.020 0.000 2.313 368 L HA -0.061 4.279 4.340 0.001 0.000 0.214 368 L C 2.722 179.593 176.870 0.002 0.000 1.119 368 L CA 0.741 55.587 54.840 0.010 0.000 0.809 368 L CB -0.328 41.741 42.059 0.017 0.000 0.933 368 L HN 0.455 nan 8.230 nan 0.000 0.449 369 A N -0.550 122.271 122.820 0.002 0.000 2.218 369 A HA 0.287 4.607 4.320 0.001 0.000 0.209 369 A C 1.630 179.209 177.584 -0.007 0.000 1.168 369 A CA 0.778 52.814 52.037 -0.001 0.000 0.804 369 A CB -0.174 18.826 19.000 -0.001 0.000 0.834 369 A HN 0.477 nan 8.150 nan 0.000 0.482 370 G N -1.218 107.573 108.800 -0.016 0.000 2.130 370 G HA2 -0.198 3.762 3.960 0.001 0.000 0.216 370 G HA3 -0.198 3.762 3.960 0.001 0.000 0.216 370 G C -0.031 174.853 174.900 -0.027 0.000 0.999 370 G CA 0.244 45.329 45.100 -0.025 0.000 0.686 370 G HN 0.558 nan 8.290 nan 0.000 0.515 371 Q N -0.313 119.474 119.800 -0.023 0.000 2.318 371 Q HA 0.244 4.584 4.340 0.001 0.000 0.371 371 Q C 0.366 176.358 176.000 -0.013 0.000 0.896 371 Q CA -0.491 55.304 55.803 -0.014 0.000 1.134 371 Q CB 0.883 29.622 28.738 0.002 0.000 1.329 371 Q HN 0.436 nan 8.270 nan 0.000 0.413 372 K N 1.940 122.295 120.400 -0.075 0.000 2.419 372 K HA -0.070 4.250 4.320 0.001 0.000 0.282 372 K C -0.297 176.269 176.600 -0.058 0.000 1.056 372 K CA 0.096 56.284 56.287 -0.164 0.000 1.035 372 K CB 0.419 32.668 32.500 -0.418 0.000 0.921 372 K HN 0.150 nan 8.250 nan 0.000 0.472 373 D N 4.702 125.186 120.400 0.139 0.000 2.441 373 D HA -0.042 4.599 4.640 0.001 0.000 0.243 373 D C 0.652 177.100 176.300 0.247 0.000 1.257 373 D CA 0.175 54.289 54.000 0.191 0.000 1.027 373 D CB 0.663 41.611 40.800 0.246 0.000 1.084 373 D HN 0.613 nan 8.370 nan 0.000 0.514 374 E N 2.736 122.992 120.200 0.093 0.000 2.147 374 E HA -0.219 4.131 4.350 0.001 0.000 0.199 374 E C 1.786 178.484 176.600 0.163 0.000 1.005 374 E CA 1.558 58.009 56.400 0.085 0.000 0.810 374 E CB -0.044 29.669 29.700 0.022 0.000 0.736 374 E HN 0.590 nan 8.360 nan 0.000 0.460 375 A N -0.322 122.584 122.820 0.143 0.000 2.015 375 A HA -0.081 4.239 4.320 0.001 0.000 0.219 375 A C 2.204 179.874 177.584 0.142 0.000 1.163 375 A CA 0.900 53.008 52.037 0.117 0.000 0.646 375 A CB -0.398 18.651 19.000 0.082 0.000 0.806 375 A HN 0.307 nan 8.150 nan 0.000 0.448 376 L N -1.968 119.393 121.223 0.230 0.000 2.023 376 L HA -0.083 4.258 4.340 0.001 0.000 0.205 376 L C 2.295 179.239 176.870 0.122 0.000 1.073 376 L CA 1.171 56.129 54.840 0.197 0.000 0.745 376 L CB -0.421 41.802 42.059 0.274 0.000 0.900 376 L HN 0.407 nan 8.230 nan 0.000 0.435 377 F N -0.484 119.535 119.950 0.114 0.000 2.269 377 F HA -0.178 4.350 4.527 0.001 0.000 0.301 377 F C 2.704 178.479 175.800 -0.041 0.000 1.082 377 F CA 1.011 59.045 58.000 0.058 0.000 1.360 377 F CB -0.771 38.314 39.000 0.142 0.000 1.041 377 F HN -0.009 nan 8.300 nan 0.000 0.512 378 S N -0.235 115.562 115.700 0.163 0.000 2.387 378 S HA -0.072 4.398 4.470 0.001 0.000 0.226 378 S C 2.378 176.984 174.600 0.010 0.000 1.026 378 S CA 0.892 59.136 58.200 0.074 0.000 0.972 378 S CB -0.519 62.723 63.200 0.070 0.000 0.814 378 S HN 0.352 nan 8.310 nan 0.000 0.477 379 A N 2.401 125.211 122.820 -0.016 0.000 1.930 379 A HA -0.117 4.203 4.320 0.001 0.000 0.217 379 A C 1.980 179.499 177.584 -0.107 0.000 1.175 379 A CA 1.351 53.360 52.037 -0.047 0.000 0.627 379 A CB -0.772 18.202 19.000 -0.044 0.000 0.815 379 A HN 0.554 nan 8.150 nan 0.000 0.443 380 N N 0.688 119.244 118.700 -0.240 0.000 2.013 380 N HA -0.201 4.539 4.740 0.001 0.000 0.195 380 N C 2.001 177.389 175.510 -0.204 0.000 1.051 380 N CA 1.971 54.777 53.050 -0.406 0.000 0.851 380 N CB -0.332 37.580 38.487 -0.959 0.000 1.044 380 N HN 0.331 nan 8.380 nan 0.000 0.422 381 A N 0.960 123.704 122.820 -0.127 0.000 1.917 381 A HA -0.092 4.228 4.320 0.001 0.000 0.219 381 A C 2.459 180.031 177.584 -0.021 0.000 1.182 381 A CA 2.353 54.363 52.037 -0.045 0.000 0.633 381 A CB -1.080 17.924 19.000 0.008 0.000 0.819 381 A HN 0.566 nan 8.150 nan 0.000 0.448 382 A N -0.379 122.435 122.820 -0.010 0.000 1.902 382 A HA 0.177 4.497 4.320 0.001 0.000 0.217 382 A C 2.510 180.128 177.584 0.058 0.000 1.181 382 A CA 2.112 54.160 52.037 0.019 0.000 0.623 382 A CB -1.001 18.009 19.000 0.016 0.000 0.818 382 A HN 1.118 nan 8.150 nan 0.000 0.443 383 A N -0.452 122.404 122.820 0.060 0.000 1.930 383 A HA 0.034 4.354 4.320 0.001 0.000 0.217 383 A C 2.154 179.845 177.584 0.178 0.000 1.175 383 A CA 1.340 53.492 52.037 0.191 0.000 0.627 383 A CB -0.510 18.591 19.000 0.168 0.000 0.815 383 A HN 0.466 nan 8.150 nan 0.000 0.443 384 L N -0.922 120.310 121.223 0.015 0.000 2.056 384 L HA -0.168 4.172 4.340 0.001 0.000 0.207 384 L C 3.129 179.948 176.870 -0.086 0.000 1.078 384 L CA 0.978 55.768 54.840 -0.083 0.000 0.749 384 L CB -0.597 41.412 42.059 -0.084 0.000 0.901 384 L HN 0.449 nan 8.230 nan 0.000 0.433 385 A N 0.471 123.280 122.820 -0.019 0.000 1.865 385 A HA -0.254 4.066 4.320 0.001 0.000 0.217 385 A C 2.524 180.121 177.584 0.021 0.000 1.191 385 A CA 2.251 54.284 52.037 -0.007 0.000 0.623 385 A CB -0.903 18.105 19.000 0.015 0.000 0.826 385 A HN 0.521 nan 8.150 nan 0.000 0.444 386 S N -0.397 115.374 115.700 0.117 0.000 2.419 386 S HA -0.220 4.250 4.470 0.001 0.000 0.235 386 S C 2.013 176.772 174.600 0.264 0.000 1.019 386 S CA 1.417 59.758 58.200 0.234 0.000 0.982 386 S CB -0.449 62.958 63.200 0.344 0.000 0.789 386 S HN 0.626 nan 8.310 nan 0.000 0.490 387 R N 1.243 121.700 120.500 -0.071 0.000 2.090 387 R HA 0.131 4.471 4.340 0.001 0.000 0.228 387 R C 2.268 178.267 176.300 -0.501 0.000 1.110 387 R CA 0.894 56.452 56.100 -0.903 0.000 0.973 387 R CB -0.077 29.294 30.300 -1.548 0.000 0.869 387 R HN 0.404 nan 8.270 nan 0.000 0.440 388 R N -0.269 120.059 120.500 -0.288 0.000 2.299 388 R HA 0.019 4.359 4.340 0.001 0.000 0.197 388 R C 1.965 178.205 176.300 -0.100 0.000 0.971 388 R CA 1.011 56.995 56.100 -0.194 0.000 1.030 388 R CB 0.327 30.535 30.300 -0.153 0.000 0.932 388 R HN 0.287 nan 8.270 nan 0.000 0.477 389 S N -0.878 114.792 115.700 -0.049 0.000 2.591 389 S HA 0.030 4.500 4.470 0.001 0.000 0.235 389 S C 1.026 175.650 174.600 0.039 0.000 1.074 389 S CA -0.317 57.885 58.200 0.003 0.000 0.925 389 S CB 0.038 63.255 63.200 0.029 0.000 0.818 389 S HN 0.078 nan 8.310 nan 0.000 0.535 390 S N 3.730 119.488 115.700 0.096 0.000 2.715 390 S HA 0.091 4.561 4.470 0.001 0.000 0.318 390 S C -2.157 172.518 174.600 0.126 0.000 1.242 390 S CA -0.493 57.809 58.200 0.170 0.000 1.044 390 S CB 0.422 63.854 63.200 0.387 0.000 0.760 390 S HN 0.284 nan 8.310 nan 0.000 0.501 391 P HA 0.223 nan 4.420 nan 0.000 0.256 391 P C 0.433 177.818 177.300 0.141 0.000 1.384 391 P CA 0.050 63.210 63.100 0.100 0.000 0.879 391 P CB 0.167 31.914 31.700 0.078 0.000 1.403 392 R N -1.280 119.348 120.500 0.213 0.000 2.254 392 R HA 0.111 4.452 4.340 0.001 0.000 0.195 392 R C 1.305 177.823 176.300 0.364 0.000 0.957 392 R CA 0.455 56.741 56.100 0.309 0.000 1.024 392 R CB -0.166 30.348 30.300 0.357 0.000 0.952 392 R HN 0.121 nan 8.270 nan 0.000 0.484 393 V N 0.430 120.490 119.914 0.243 0.000 2.597 393 V HA -0.003 4.118 4.120 0.001 0.000 0.220 393 V C 0.911 177.029 176.094 0.040 0.000 1.134 393 V CA 0.786 63.163 62.300 0.127 0.000 1.159 393 V CB -0.165 31.646 31.823 -0.019 0.000 0.788 393 V HN 0.142 nan 8.190 nan 0.000 0.502 394 T N 2.957 117.513 114.554 0.003 0.000 2.940 394 T HA 0.196 4.546 4.350 0.001 0.000 0.309 394 T C -0.075 174.636 174.700 0.019 0.000 1.056 394 T CA 0.513 62.608 62.100 -0.008 0.000 1.137 394 T CB -0.010 68.845 68.868 -0.022 0.000 0.976 394 T HN 0.525 nan 8.240 nan 0.000 0.547 395 N N 0.368 119.075 118.700 0.012 0.000 2.927 395 N HA 0.113 4.853 4.740 0.001 0.000 0.248 395 N C -0.033 175.486 175.510 0.016 0.000 1.443 395 N CA -0.491 52.573 53.050 0.023 0.000 0.870 395 N CB 1.668 40.176 38.487 0.035 0.000 1.444 395 N HN 0.253 nan 8.380 nan 0.000 0.519 396 E N 0.445 120.657 120.200 0.020 0.000 2.472 396 E HA 0.093 4.443 4.350 0.001 0.000 0.200 396 E C 1.426 178.035 176.600 0.014 0.000 1.046 396 E CA 0.662 57.071 56.400 0.015 0.000 0.871 396 E CB -0.701 29.009 29.700 0.017 0.000 0.806 396 E HN 0.696 nan 8.360 nan 0.000 0.533 397 G N 0.049 108.859 108.800 0.017 0.000 2.509 397 G HA2 -0.169 3.791 3.960 0.001 0.000 0.218 397 G HA3 -0.169 3.791 3.960 0.001 0.000 0.218 397 G C 1.504 176.410 174.900 0.010 0.000 1.124 397 G CA 0.405 45.515 45.100 0.017 0.000 0.776 397 G HN 0.258 nan 8.290 nan 0.000 0.547 398 V N 0.085 120.003 119.914 0.006 0.000 3.141 398 V HA -0.072 4.049 4.120 0.001 0.000 0.265 398 V C 2.546 178.641 176.094 0.002 0.000 1.126 398 V CA 1.447 63.747 62.300 0.001 0.000 1.141 398 V CB 0.246 32.066 31.823 -0.005 0.000 0.743 398 V HN 0.311 nan 8.190 nan 0.000 0.492 399 Q N -0.168 119.634 119.800 0.003 0.000 2.387 399 Q HA 0.016 4.357 4.340 0.001 0.000 0.212 399 Q C 2.215 178.215 176.000 -0.001 0.000 0.925 399 Q CA 0.667 56.472 55.803 0.002 0.000 0.901 399 Q CB 0.087 28.827 28.738 0.004 0.000 1.020 399 Q HN 0.393 nan 8.270 nan 0.000 0.545 400 K N 0.624 121.024 120.400 0.000 0.000 2.160 400 K HA -0.084 4.236 4.320 0.001 0.000 0.206 400 K C 1.801 178.393 176.600 -0.014 0.000 1.047 400 K CA 1.284 57.568 56.287 -0.005 0.000 0.930 400 K CB -0.251 32.249 32.500 0.000 0.000 0.720 400 K HN 0.198 nan 8.250 nan 0.000 0.450 401 A N 0.984 123.799 122.820 -0.008 0.000 2.016 401 A HA 0.099 4.419 4.320 0.001 0.000 0.217 401 A C 2.105 179.678 177.584 -0.018 0.000 1.162 401 A CA 1.200 53.229 52.037 -0.013 0.000 0.662 401 A CB -0.207 18.801 19.000 0.014 0.000 0.812 401 A HN 0.250 nan 8.150 nan 0.000 0.450 402 A N -0.977 121.839 122.820 -0.007 0.000 2.252 402 A HA 0.485 4.806 4.320 0.001 0.000 0.207 402 A C 1.688 179.265 177.584 -0.010 0.000 1.194 402 A CA 1.184 53.219 52.037 -0.003 0.000 0.809 402 A CB -0.501 18.500 19.000 0.002 0.000 0.814 402 A HN 0.901 nan 8.150 nan 0.000 0.482 403 A N -1.434 121.372 122.820 -0.022 0.000 2.141 403 A HA 0.583 4.903 4.320 0.001 0.000 0.201 403 A C 1.847 179.406 177.584 -0.042 0.000 1.344 403 A CA 0.795 52.818 52.037 -0.024 0.000 0.971 403 A CB -0.386 18.603 19.000 -0.018 0.000 1.035 403 A HN 0.913 nan 8.150 nan 0.000 0.480 404 A N 0.018 122.794 122.820 -0.074 0.000 2.263 404 A HA 0.236 4.556 4.320 0.001 0.000 0.205 404 A C 0.933 178.437 177.584 -0.133 0.000 1.226 404 A CA 0.545 52.503 52.037 -0.131 0.000 0.810 404 A CB -0.488 18.378 19.000 -0.224 0.000 0.784 404 A HN 0.297 nan 8.150 nan 0.000 0.486 405 L N -0.624 120.559 121.223 -0.068 0.000 2.688 405 L HA 0.151 4.491 4.340 0.001 0.000 0.234 405 L C 1.018 177.887 176.870 -0.002 0.000 1.192 405 L CA 0.672 55.494 54.840 -0.030 0.000 0.984 405 L CB -1.392 40.663 42.059 -0.007 0.000 1.232 405 L HN 0.401 nan 8.230 nan 0.000 0.465 406 K N 1.269 121.666 120.400 -0.005 0.000 2.449 406 K HA 0.294 4.614 4.320 0.001 0.000 0.237 406 K C 1.255 177.872 176.600 0.028 0.000 1.265 406 K CA 0.472 56.764 56.287 0.010 0.000 1.193 406 K CB -0.251 32.251 32.500 0.004 0.000 1.515 406 K HN 0.369 nan 8.250 nan 0.000 0.259 407 G N 1.444 110.262 108.800 0.029 0.000 2.634 407 G HA2 -0.426 3.535 3.960 0.001 0.000 0.309 407 G HA3 -0.426 3.535 3.960 0.001 0.000 0.309 407 G C 0.159 175.076 174.900 0.027 0.000 1.265 407 G CA 0.366 45.483 45.100 0.029 0.000 0.998 407 G HN 0.703 nan 8.290 nan 0.000 0.551 408 S N -0.796 114.906 115.700 0.003 0.000 2.598 408 S HA 0.598 5.068 4.470 0.001 0.000 0.267 408 S C 0.109 174.744 174.600 0.057 0.000 1.189 408 S CA 0.763 58.894 58.200 -0.116 0.000 1.010 408 S CB 1.624 64.794 63.200 -0.049 0.000 1.084 408 S HN 0.695 nan 8.310 nan 0.000 0.541 409 D N -0.955 119.463 120.400 0.029 0.000 2.940 409 D HA 0.304 4.945 4.640 0.001 0.000 0.366 409 D C -1.188 175.132 176.300 0.032 0.000 1.446 409 D CA -0.245 53.810 54.000 0.092 0.000 0.780 409 D CB -0.077 40.815 40.800 0.153 0.000 1.206 409 D HN 0.540 nan 8.370 nan 0.000 0.454 410 H N 0.788 119.860 119.070 0.004 0.000 2.948 410 H HA 0.057 4.614 4.556 0.000 0.000 0.351 410 H C 0.814 176.142 175.328 -0.000 0.000 1.079 410 H CA 0.437 56.485 56.048 -0.001 0.000 1.407 410 H CB 0.663 30.417 29.762 -0.013 0.000 1.373 410 H HN 0.007 nan 8.280 nan 0.000 0.605 411 R N 2.379 122.948 120.500 0.115 0.000 2.491 411 R HA 0.041 4.382 4.340 0.001 0.000 0.283 411 R C -0.064 176.269 176.300 0.054 0.000 1.072 411 R CA -0.788 55.345 56.100 0.055 0.000 1.048 411 R CB 0.436 30.754 30.300 0.029 0.000 0.983 411 R HN 0.595 nan 8.270 nan 0.000 0.450 412 R N 3.772 124.291 120.500 0.031 0.000 4.797 412 R HA -0.250 4.090 4.340 0.001 0.000 0.146 412 R C 1.018 177.326 176.300 0.013 0.000 0.258 412 R CA 0.942 57.053 56.100 0.019 0.000 0.909 412 R CB -1.856 28.450 30.300 0.010 0.000 0.954 412 R HN 0.906 nan 8.270 nan 0.000 0.273 413 A N 2.888 125.714 122.820 0.010 0.000 4.512 413 A HA -0.428 3.892 4.320 0.001 0.000 0.353 413 A C 1.108 178.690 177.584 -0.002 0.000 1.537 413 A CA 3.368 55.402 52.037 -0.006 0.000 0.843 413 A CB -1.939 17.051 19.000 -0.016 0.000 1.321 413 A HN 1.277 nan 8.150 nan 0.000 0.412 414 T N -1.012 113.539 114.554 -0.006 0.000 3.107 414 T HA -0.260 4.091 4.350 0.001 0.000 0.431 414 T C 0.151 174.847 174.700 -0.007 0.000 0.773 414 T CA 0.961 63.057 62.100 -0.006 0.000 2.334 414 T CB -2.087 66.780 68.868 -0.002 0.000 1.592 414 T HN 1.952 nan 8.240 nan 0.000 0.542 415 N N 0.633 119.326 118.700 -0.012 0.000 1.763 415 N HA -0.143 4.597 4.740 0.001 0.000 0.337 415 N C 1.486 176.982 175.510 -0.022 0.000 1.240 415 N CA 0.884 53.924 53.050 -0.017 0.000 0.785 415 N CB 0.778 39.252 38.487 -0.021 0.000 1.003 415 N HN 0.485 nan 8.380 nan 0.000 0.508 416 V N 3.975 123.870 119.914 -0.030 0.000 2.252 416 V HA -0.376 3.744 4.120 0.001 0.000 0.255 416 V C 2.458 178.522 176.094 -0.050 0.000 1.071 416 V CA 3.353 65.626 62.300 -0.046 0.000 1.050 416 V CB -0.875 30.898 31.823 -0.083 0.000 0.654 416 V HN 0.937 nan 8.190 nan 0.000 0.448 417 S N 0.528 116.192 115.700 -0.060 0.000 2.400 417 S HA -0.015 4.455 4.470 0.001 0.000 0.232 417 S C 1.595 176.179 174.600 -0.027 0.000 1.025 417 S CA 1.206 59.377 58.200 -0.049 0.000 0.993 417 S CB -0.633 62.536 63.200 -0.051 0.000 0.808 417 S HN 1.164 nan 8.310 nan 0.000 0.478 418 A N 0.452 123.259 122.820 -0.022 0.000 2.684 418 A HA 0.569 4.889 4.320 0.001 0.000 0.288 418 A C 1.612 179.191 177.584 -0.009 0.000 1.337 418 A CA -0.331 51.698 52.037 -0.013 0.000 0.946 418 A CB -0.344 18.649 19.000 -0.013 0.000 1.093 418 A HN 0.546 nan 8.150 nan 0.000 0.543 419 R N -1.225 119.270 120.500 -0.008 0.000 2.646 419 R HA 0.293 4.633 4.340 0.001 0.000 0.226 419 R C 0.712 177.016 176.300 0.006 0.000 0.928 419 R CA 0.078 56.177 56.100 -0.002 0.000 1.010 419 R CB 0.055 30.352 30.300 -0.005 0.000 1.516 419 R HN 0.433 nan 8.270 nan 0.000 0.621 420 L N 1.360 122.585 121.223 0.003 0.000 2.465 420 L HA -0.049 4.292 4.340 0.001 0.000 0.224 420 L C 1.043 177.927 176.870 0.022 0.000 1.145 420 L CA 0.795 55.647 54.840 0.020 0.000 0.834 420 L CB -0.166 41.903 42.059 0.017 0.000 0.944 420 L HN 0.202 nan 8.230 nan 0.000 0.451 421 D N 0.669 121.075 120.400 0.011 0.000 2.120 421 D HA -0.070 4.571 4.640 0.001 0.000 0.202 421 D C 2.240 178.548 176.300 0.013 0.000 0.972 421 D CA 1.391 55.397 54.000 0.009 0.000 0.837 421 D CB 0.131 40.933 40.800 0.003 0.000 0.989 421 D HN 0.279 nan 8.370 nan 0.000 0.469 422 A N 0.888 123.716 122.820 0.013 0.000 2.121 422 A HA -0.176 4.145 4.320 0.001 0.000 0.218 422 A C 2.044 179.642 177.584 0.024 0.000 1.154 422 A CA 1.125 53.171 52.037 0.015 0.000 0.679 422 A CB -0.342 18.665 19.000 0.012 0.000 0.795 422 A HN 0.223 nan 8.150 nan 0.000 0.458 423 Q N -1.375 118.444 119.800 0.032 0.000 2.134 423 Q HA -0.033 4.307 4.340 0.001 0.000 0.195 423 Q C 1.993 178.025 176.000 0.053 0.000 0.958 423 Q CA 0.807 56.640 55.803 0.049 0.000 0.840 423 Q CB -0.150 28.626 28.738 0.064 0.000 0.918 423 Q HN 0.573 nan 8.270 nan 0.000 0.467 424 Q N 0.957 120.783 119.800 0.044 0.000 2.436 424 Q HA -0.104 4.236 4.340 0.001 0.000 0.209 424 Q C 1.686 177.699 176.000 0.021 0.000 0.965 424 Q CA 0.815 56.638 55.803 0.033 0.000 0.910 424 Q CB 0.201 28.949 28.738 0.017 0.000 0.980 424 Q HN 0.226 nan 8.270 nan 0.000 0.491 425 K N 0.421 120.833 120.400 0.021 0.000 2.098 425 K HA -0.132 4.188 4.320 0.001 0.000 0.203 425 K C 1.897 178.508 176.600 0.019 0.000 1.051 425 K CA 1.015 57.311 56.287 0.015 0.000 0.957 425 K CB 0.169 32.676 32.500 0.013 0.000 0.738 425 K HN -0.163 nan 8.250 nan 0.000 0.447 426 K N 0.036 120.452 120.400 0.026 0.000 2.228 426 K HA 0.000 4.320 4.320 0.001 0.000 0.202 426 K C 1.539 178.160 176.600 0.034 0.000 1.051 426 K CA 0.789 57.093 56.287 0.029 0.000 0.960 426 K CB 0.203 32.723 32.500 0.034 0.000 0.743 426 K HN 0.065 nan 8.250 nan 0.000 0.458 427 L N -0.207 121.041 121.223 0.042 0.000 2.416 427 L HA 0.226 4.566 4.340 0.001 0.000 0.188 427 L C -0.215 176.672 176.870 0.029 0.000 1.145 427 L CA 0.648 55.517 54.840 0.048 0.000 0.826 427 L CB -0.643 41.463 42.059 0.078 0.000 1.064 427 L HN 0.385 nan 8.230 nan 0.000 0.490 428 N N -0.338 118.373 118.700 0.020 0.000 2.454 428 N HA -0.129 4.611 4.740 0.001 0.000 0.280 428 N C -1.712 173.790 175.510 -0.015 0.000 1.515 428 N CA 0.269 53.319 53.050 -0.001 0.000 0.892 428 N CB -0.926 37.560 38.487 -0.001 0.000 0.892 428 N HN 0.125 nan 8.380 nan 0.000 0.475 429 L N 3.804 125.002 121.223 -0.042 0.000 2.424 429 L HA 0.746 5.086 4.340 0.001 0.000 0.258 429 L C -1.890 174.915 176.870 -0.108 0.000 0.995 429 L CA -1.452 53.342 54.840 -0.077 0.000 0.821 429 L CB 1.643 43.633 42.059 -0.115 0.000 1.383 429 L HN 0.359 nan 8.230 nan 0.000 0.410 430 P HA 0.169 nan 4.420 nan 0.000 0.267 430 P C -0.207 176.999 177.300 -0.157 0.000 1.205 430 P CA -0.304 62.733 63.100 -0.106 0.000 0.765 430 P CB 0.618 32.269 31.700 -0.082 0.000 0.828 431 I N 3.940 124.430 120.570 -0.134 0.000 3.058 431 I HA -0.220 3.950 4.170 0.001 0.000 0.299 431 I C 1.531 177.544 176.117 -0.174 0.000 1.238 431 I CA 0.529 61.735 61.300 -0.157 0.000 1.423 431 I CB -0.676 37.264 38.000 -0.099 0.000 1.330 431 I HN 0.357 nan 8.210 nan 0.000 0.589 432 L N 4.864 125.958 121.223 -0.216 0.000 3.548 432 L HA -0.134 4.207 4.340 0.001 0.000 0.443 432 L C -2.109 174.637 176.870 -0.205 0.000 1.286 432 L CA 0.050 54.784 54.840 -0.177 0.000 0.863 432 L CB -1.508 40.499 42.059 -0.087 0.000 1.734 432 L HN 0.565 nan 8.230 nan 0.000 0.873 433 P HA 0.251 nan 4.420 nan 0.000 0.272 433 P C -0.086 177.157 177.300 -0.094 0.000 1.223 433 P CA 0.080 62.979 63.100 -0.336 0.000 0.784 433 P CB 0.689 31.973 31.700 -0.694 0.000 0.923 434 T N -1.189 113.371 114.554 0.009 0.000 2.944 434 T HA 0.697 5.047 4.350 0.001 0.000 0.284 434 T C 0.022 174.833 174.700 0.183 0.000 1.010 434 T CA -0.600 61.565 62.100 0.108 0.000 1.025 434 T CB 1.457 70.365 68.868 0.066 0.000 1.079 434 T HN 0.688 nan 8.240 nan 0.000 0.516 435 T N -0.016 114.643 114.554 0.175 0.000 2.737 435 T HA 0.484 4.834 4.350 0.001 0.000 0.312 435 T C -1.123 173.625 174.700 0.080 0.000 1.857 435 T CA -0.252 61.936 62.100 0.146 0.000 0.999 435 T CB 0.731 69.710 68.868 0.185 0.000 1.854 435 T HN 1.220 nan 8.240 nan 0.000 0.513 436 T N 0.692 115.259 114.554 0.022 0.000 2.938 436 T HA 0.647 4.998 4.350 0.001 0.000 0.285 436 T C 1.106 175.714 174.700 -0.154 0.000 1.028 436 T CA -0.923 61.134 62.100 -0.073 0.000 1.005 436 T CB 0.866 69.647 68.868 -0.145 0.000 1.157 436 T HN 0.409 nan 8.240 nan 0.000 0.550 437 I N 0.223 120.645 120.570 -0.247 0.000 3.419 437 I HA 0.287 4.458 4.170 0.001 0.000 0.286 437 I C 1.779 177.721 176.117 -0.291 0.000 1.268 437 I CA 0.942 62.035 61.300 -0.345 0.000 1.414 437 I CB -0.902 36.777 38.000 -0.535 0.000 1.074 437 I HN 1.091 nan 8.210 nan 0.000 0.457 438 G N 0.289 108.930 108.800 -0.265 0.000 4.399 438 G HA2 -0.110 3.851 3.960 0.001 0.000 0.158 438 G HA3 -0.110 3.851 3.960 0.001 0.000 0.158 438 G C 0.189 174.941 174.900 -0.247 0.000 1.911 438 G CA 0.280 45.262 45.100 -0.197 0.000 0.926 438 G HN 0.373 nan 8.290 nan 0.000 0.292 439 S N -0.079 115.440 115.700 -0.301 0.000 2.747 439 S HA 0.892 5.362 4.470 0.001 0.000 0.300 439 S C -0.793 173.515 174.600 -0.486 0.000 1.121 439 S CA -0.626 57.407 58.200 -0.278 0.000 0.995 439 S CB 2.178 65.275 63.200 -0.172 0.000 1.113 439 S HN 0.395 nan 8.310 nan 0.000 0.547 440 F N -0.298 119.592 119.950 -0.101 0.000 2.640 440 F HA 0.610 5.138 4.527 0.000 0.000 0.324 440 F C -2.554 173.098 175.800 -0.246 0.000 1.077 440 F CA -2.385 55.539 58.000 -0.127 0.000 0.965 440 F CB 1.627 40.632 39.000 0.010 0.000 1.351 440 F HN 0.345 nan 8.300 nan 0.000 0.487 441 P HA 0.043 nan 4.420 nan 0.000 0.267 441 P C -1.371 175.794 177.300 -0.225 0.000 1.201 441 P CA 0.138 62.943 63.100 -0.491 0.000 0.775 441 P CB 0.404 31.448 31.700 -1.093 0.000 0.854 442 Q N 0.117 119.873 119.800 -0.074 0.000 2.215 442 Q HA 0.490 4.830 4.340 0.001 0.000 0.256 442 Q C 0.842 176.899 176.000 0.094 0.000 0.972 442 Q CA -0.536 55.291 55.803 0.040 0.000 0.889 442 Q CB 1.516 30.258 28.738 0.007 0.000 1.281 442 Q HN 0.524 nan 8.270 nan 0.000 0.456 443 T N -3.282 111.338 114.554 0.110 0.000 2.121 443 T HA 0.201 4.552 4.350 0.001 0.000 0.197 443 T C 1.471 176.205 174.700 0.057 0.000 0.822 443 T CA 0.347 62.508 62.100 0.102 0.000 1.195 443 T CB -0.839 68.097 68.868 0.113 0.000 3.009 443 T HN 0.419 nan 8.240 nan 0.000 0.449 444 V N -0.200 119.742 119.914 0.046 0.000 2.215 444 V HA 0.019 4.139 4.120 0.001 0.000 0.249 444 V C 0.167 176.274 176.094 0.022 0.000 1.054 444 V CA 1.671 63.989 62.300 0.029 0.000 1.012 444 V CB -1.766 30.070 31.823 0.023 0.000 0.639 444 V HN 0.970 nan 8.190 nan 0.000 0.448 445 E N 0.587 120.799 120.200 0.019 0.000 7.504 445 E HA -0.058 4.293 4.350 0.001 0.000 0.337 445 E C -1.091 175.512 176.600 0.006 0.000 0.701 445 E CA 0.474 56.879 56.400 0.009 0.000 1.302 445 E CB -1.209 28.497 29.700 0.009 0.000 0.927 445 E HN 0.532 nan 8.360 nan 0.000 0.263 446 L N 2.310 123.533 121.223 -0.000 0.000 2.408 446 L HA 0.542 4.883 4.340 0.001 0.000 0.268 446 L C 1.048 177.914 176.870 -0.008 0.000 0.986 446 L CA -0.542 54.298 54.840 -0.000 0.000 0.820 446 L CB 1.702 43.763 42.059 0.002 0.000 1.303 446 L HN 0.435 nan 8.230 nan 0.000 0.411 462 D N -0.897 119.524 120.400 0.034 0.000 2.323 462 D HA 0.022 4.662 4.640 0.001 0.000 0.218 462 D C 1.745 178.092 176.300 0.078 0.000 0.973 462 D CA 0.485 54.480 54.000 -0.008 0.000 0.890 462 D CB 0.137 40.864 40.800 -0.121 0.000 1.011 462 D HN 0.146 nan 8.370 nan 0.000 0.499 463 Y N 1.357 121.760 120.300 0.172 0.000 2.049 463 Y HA -0.196 4.354 4.550 0.000 0.000 0.277 463 Y C 2.614 178.665 175.900 0.251 0.000 1.143 463 Y CA 1.278 59.538 58.100 0.266 0.000 1.115 463 Y CB -1.196 37.356 38.460 0.153 0.000 0.975 463 Y HN -0.150 nan 8.280 nan 0.000 0.487 464 V N 0.824 120.945 119.914 0.344 0.000 2.370 464 V HA -0.340 3.780 4.120 0.001 0.000 0.252 464 V C 2.083 178.287 176.094 0.183 0.000 1.068 464 V CA 2.202 64.635 62.300 0.222 0.000 1.061 464 V CB -0.282 31.631 31.823 0.150 0.000 0.656 464 V HN 0.377 nan 8.190 nan 0.000 0.455 465 K N 0.446 120.944 120.400 0.163 0.000 2.103 465 K HA 0.070 4.390 4.320 0.001 0.000 0.204 465 K C 2.282 178.955 176.600 0.123 0.000 1.052 465 K CA 1.551 57.905 56.287 0.112 0.000 0.945 465 K CB -0.952 31.593 32.500 0.075 0.000 0.722 465 K HN 0.610 nan 8.250 nan 0.000 0.443 466 A N 1.462 124.390 122.820 0.181 0.000 1.929 466 A HA -0.041 4.279 4.320 0.001 0.000 0.216 466 A C 2.280 180.010 177.584 0.243 0.000 1.176 466 A CA 0.835 52.968 52.037 0.159 0.000 0.628 466 A CB -0.517 18.558 19.000 0.125 0.000 0.816 466 A HN 0.172 nan 8.150 nan 0.000 0.444 467 I N -0.145 120.636 120.570 0.351 0.000 2.208 467 I HA -0.324 3.847 4.170 0.001 0.000 0.245 467 I C 2.429 178.649 176.117 0.172 0.000 1.097 467 I CA 1.704 63.185 61.300 0.301 0.000 1.363 467 I CB -0.400 37.755 38.000 0.258 0.000 1.051 467 I HN 0.307 nan 8.210 nan 0.000 0.413 468 K N 0.630 121.108 120.400 0.130 0.000 1.991 468 K HA -0.270 4.050 4.320 0.001 0.000 0.212 468 K C 2.087 178.718 176.600 0.053 0.000 1.049 468 K CA 1.933 58.264 56.287 0.074 0.000 0.932 468 K CB -0.337 32.197 32.500 0.057 0.000 0.717 468 K HN 0.096 nan 8.250 nan 0.000 0.441 469 E N 1.429 121.662 120.200 0.056 0.000 2.273 469 E HA -0.212 4.138 4.350 0.001 0.000 0.198 469 E C 1.387 178.011 176.600 0.040 0.000 1.002 469 E CA 1.597 58.018 56.400 0.034 0.000 0.828 469 E CB 0.043 29.766 29.700 0.038 0.000 0.747 469 E HN 0.365 nan 8.360 nan 0.000 0.491 470 E N -0.637 119.613 120.200 0.084 0.000 2.060 470 E HA -0.043 4.307 4.350 0.001 0.000 0.189 470 E C 1.976 178.614 176.600 0.062 0.000 0.974 470 E CA 0.712 57.175 56.400 0.105 0.000 0.808 470 E CB -0.174 29.645 29.700 0.199 0.000 0.768 470 E HN 0.247 nan 8.360 nan 0.000 0.453 471 I N 1.584 122.188 120.570 0.056 0.000 2.567 471 I HA -0.231 3.940 4.170 0.001 0.000 0.257 471 I C 1.532 177.637 176.117 -0.020 0.000 1.184 471 I CA 1.295 62.609 61.300 0.025 0.000 1.451 471 I CB 0.058 38.073 38.000 0.025 0.000 1.089 471 I HN -0.100 nan 8.210 nan 0.000 0.441 472 K N 0.741 121.117 120.400 -0.041 0.000 2.031 472 K HA -0.093 4.227 4.320 0.001 0.000 0.205 472 K C 2.051 178.556 176.600 -0.159 0.000 1.049 472 K CA 1.431 57.656 56.287 -0.104 0.000 0.939 472 K CB -0.467 31.957 32.500 -0.127 0.000 0.717 472 K HN 0.372 nan 8.250 nan 0.000 0.438 473 K N 0.675 120.980 120.400 -0.159 0.000 2.217 473 K HA -0.014 4.307 4.320 0.001 0.000 0.202 473 K C 2.135 178.637 176.600 -0.163 0.000 1.051 473 K CA 0.540 56.656 56.287 -0.286 0.000 0.952 473 K CB 0.066 32.429 32.500 -0.229 0.000 0.736 473 K HN -0.129 nan 8.250 nan 0.000 0.453 474 V N 0.356 120.240 119.914 -0.049 0.000 2.300 474 V HA -0.165 3.956 4.120 0.001 0.000 0.241 474 V C 2.100 178.181 176.094 -0.021 0.000 1.034 474 V CA 1.164 63.465 62.300 0.001 0.000 1.021 474 V CB -0.169 31.675 31.823 0.036 0.000 0.662 474 V HN 0.020 nan 8.190 nan 0.000 0.458 475 V N 0.985 120.880 119.914 -0.032 0.000 2.453 475 V HA -0.297 3.824 4.120 0.001 0.000 0.252 475 V C 2.368 178.431 176.094 -0.052 0.000 1.068 475 V CA 2.415 64.694 62.300 -0.035 0.000 1.070 475 V CB -0.590 31.209 31.823 -0.039 0.000 0.664 475 V HN 0.686 nan 8.190 nan 0.000 0.461 476 D N -0.110 120.237 120.400 -0.088 0.000 2.085 476 D HA -0.117 4.523 4.640 0.001 0.000 0.199 476 D C 2.127 178.390 176.300 -0.061 0.000 0.981 476 D CA 1.388 55.325 54.000 -0.104 0.000 0.834 476 D CB -0.227 40.458 40.800 -0.192 0.000 0.992 476 D HN 0.359 nan 8.370 nan 0.000 0.457 477 L N 0.347 121.539 121.223 -0.051 0.000 2.021 477 L HA -0.270 4.070 4.340 0.001 0.000 0.215 477 L C 2.866 179.750 176.870 0.023 0.000 1.074 477 L CA 1.609 56.461 54.840 0.020 0.000 0.760 477 L CB -0.514 41.585 42.059 0.067 0.000 0.889 477 L HN 0.176 nan 8.230 nan 0.000 0.433 478 Q N -0.201 119.606 119.800 0.012 0.000 1.985 478 Q HA -0.286 4.055 4.340 0.001 0.000 0.207 478 Q C 2.057 178.059 176.000 0.004 0.000 0.996 478 Q CA 2.263 58.072 55.803 0.011 0.000 0.851 478 Q CB -0.226 28.516 28.738 0.006 0.000 0.921 478 Q HN 0.630 nan 8.270 nan 0.000 0.418 479 E N 1.035 121.230 120.200 -0.007 0.000 2.268 479 E HA -0.170 4.181 4.350 0.001 0.000 0.195 479 E C 0.618 177.214 176.600 -0.007 0.000 0.995 479 E CA 0.904 57.298 56.400 -0.010 0.000 0.836 479 E CB -0.131 29.557 29.700 -0.019 0.000 0.763 479 E HN 0.110 nan 8.360 nan 0.000 0.491 480 E N 1.122 121.320 120.200 -0.003 0.000 2.127 480 E HA 0.032 4.382 4.350 0.001 0.000 0.295 480 E C -0.042 176.566 176.600 0.013 0.000 1.155 480 E CA 0.104 56.508 56.400 0.007 0.000 1.201 480 E CB -0.888 28.826 29.700 0.022 0.000 1.083 480 E HN 0.353 nan 8.360 nan 0.000 0.472 481 L N 2.080 123.306 121.223 0.005 0.000 3.449 481 L HA -0.466 3.875 4.340 0.001 0.000 0.077 481 L C 1.152 178.026 176.870 0.007 0.000 4.433 481 L CA 2.666 57.508 54.840 0.004 0.000 0.491 481 L CB -1.368 40.694 42.059 0.004 0.000 3.547 481 L HN 0.580 nan 8.230 nan 0.000 0.760 482 D N -3.302 117.107 120.400 0.015 0.000 2.128 482 D HA 0.344 4.985 4.640 0.001 0.000 0.071 482 D C -0.015 176.305 176.300 0.034 0.000 1.462 482 D CA 0.366 54.376 54.000 0.018 0.000 1.109 482 D CB 0.933 41.737 40.800 0.008 0.000 2.816 482 D HN 0.193 nan 8.370 nan 0.000 0.199 483 I N 3.697 124.291 120.570 0.039 0.000 8.033 483 I HA -0.199 3.971 4.170 0.001 0.000 0.126 483 I C 0.392 176.547 176.117 0.062 0.000 1.834 483 I CA -0.134 61.204 61.300 0.063 0.000 2.071 483 I CB -0.385 37.669 38.000 0.090 0.000 3.728 483 I HN 0.255 nan 8.210 nan 0.000 0.180 484 D N 3.928 124.358 120.400 0.049 0.000 2.158 484 D HA -0.085 4.555 4.640 0.001 0.000 0.197 484 D C 0.879 177.229 176.300 0.084 0.000 0.995 484 D CA 1.484 55.510 54.000 0.043 0.000 0.846 484 D CB 0.113 40.911 40.800 -0.003 0.000 0.941 484 D HN 0.334 nan 8.370 nan 0.000 0.456 485 V N 2.334 122.325 119.914 0.129 0.000 2.357 485 V HA 0.261 4.381 4.120 0.001 0.000 0.284 485 V C 0.396 176.559 176.094 0.114 0.000 1.018 485 V CA -0.625 61.759 62.300 0.140 0.000 0.841 485 V CB 1.733 33.682 31.823 0.210 0.000 0.991 485 V HN -0.038 nan 8.190 nan 0.000 0.437 486 L N 4.840 126.126 121.223 0.105 0.000 2.440 486 L HA 0.846 5.186 4.340 0.001 0.000 0.262 486 L C -0.437 176.515 176.870 0.135 0.000 1.072 486 L CA -0.890 54.026 54.840 0.126 0.000 0.798 486 L CB 1.606 43.735 42.059 0.117 0.000 1.307 486 L HN 0.350 nan 8.230 nan 0.000 0.475 487 V N -2.048 117.981 119.914 0.193 0.000 3.188 487 V HA 0.184 4.304 4.120 0.001 0.000 0.305 487 V C 0.229 176.500 176.094 0.295 0.000 1.232 487 V CA -0.700 61.735 62.300 0.225 0.000 1.043 487 V CB 1.764 33.678 31.823 0.151 0.000 1.068 487 V HN 0.871 nan 8.190 nan 0.000 0.439 488 H N 0.678 119.838 119.070 0.150 0.000 2.539 488 H HA 0.214 4.771 4.556 0.000 0.000 0.267 488 H C 1.308 176.738 175.328 0.170 0.000 0.982 488 H CA 0.911 57.047 56.048 0.148 0.000 1.146 488 H CB 0.303 30.149 29.762 0.141 0.000 1.382 488 H HN 1.290 nan 8.280 nan 0.000 0.577 489 G N 1.269 110.039 108.800 -0.050 0.000 2.225 489 G HA2 -0.356 3.604 3.960 0.001 0.000 0.254 489 G HA3 -0.356 3.604 3.960 0.001 0.000 0.254 489 G C 0.205 174.971 174.900 -0.223 0.000 0.988 489 G CA 0.163 45.305 45.100 0.069 0.000 0.625 489 G HN 0.500 nan 8.290 nan 0.000 0.527 490 E N -1.225 118.580 120.200 -0.658 0.000 2.389 490 E HA -0.213 4.137 4.350 0.001 0.000 0.243 490 E C -0.729 175.675 176.600 -0.328 0.000 1.154 490 E CA 0.624 56.707 56.400 -0.529 0.000 0.723 490 E CB -1.004 28.489 29.700 -0.344 0.000 1.261 490 E HN 0.588 nan 8.360 nan 0.000 0.390 491 P HA -0.186 nan 4.420 nan 0.000 0.219 491 P C 0.706 177.839 177.300 -0.278 0.000 1.150 491 P CA 1.540 64.529 63.100 -0.185 0.000 0.814 491 P CB 0.151 31.789 31.700 -0.103 0.000 0.787 492 E N -0.030 119.904 120.200 -0.444 0.000 2.512 492 E HA 0.009 4.359 4.350 0.001 0.000 0.195 492 E C 0.441 176.708 176.600 -0.554 0.000 1.083 492 E CA 0.273 56.342 56.400 -0.552 0.000 0.873 492 E CB -0.585 28.533 29.700 -0.969 0.000 0.897 492 E HN 0.332 nan 8.360 nan 0.000 0.514 493 R N 0.302 120.492 120.500 -0.516 0.000 2.439 493 R HA 0.405 4.745 4.340 0.001 0.000 0.310 493 R C -0.123 176.044 176.300 -0.223 0.000 0.955 493 R CA -0.253 55.544 56.100 -0.506 0.000 0.853 493 R CB 1.031 30.922 30.300 -0.682 0.000 1.171 493 R HN 0.059 nan 8.270 nan 0.000 0.449 494 N N 0.512 119.144 118.700 -0.113 0.000 2.278 494 N HA -0.088 4.652 4.740 0.001 0.000 0.181 494 N C -0.108 175.407 175.510 0.009 0.000 1.023 494 N CA 0.722 53.751 53.050 -0.036 0.000 0.862 494 N CB 0.283 38.769 38.487 -0.001 0.000 1.003 494 N HN 0.464 nan 8.380 nan 0.000 0.431 498 E N 0.037 120.469 120.200 0.387 0.000 2.072 498 E HA -0.184 4.166 4.350 0.001 0.000 0.190 498 E C 1.917 178.632 176.600 0.192 0.000 0.982 498 E CA 1.690 58.347 56.400 0.428 0.000 0.803 498 E CB -0.080 29.857 29.700 0.396 0.000 0.755 498 E HN 0.679 nan 8.360 nan 0.000 0.453 499 Y N 0.890 121.160 120.300 -0.050 0.000 2.096 499 Y HA -0.322 4.228 4.550 0.000 0.000 0.278 499 Y C 1.748 177.452 175.900 -0.328 0.000 1.192 499 Y CA 1.737 59.668 58.100 -0.282 0.000 1.143 499 Y CB -0.447 37.719 38.460 -0.491 0.000 0.963 499 Y HN -0.036 nan 8.280 nan 0.000 0.505 500 F N -0.576 119.337 119.950 -0.062 0.000 2.149 500 F HA 0.089 4.616 4.527 0.001 0.000 0.294 500 F C 2.757 178.382 175.800 -0.291 0.000 1.095 500 F CA 1.290 59.172 58.000 -0.197 0.000 1.276 500 F CB -1.261 37.714 39.000 -0.042 0.000 1.023 500 F HN 0.040 nan 8.300 nan 0.000 0.480 501 G N -0.129 108.620 108.800 -0.085 0.000 2.450 501 G HA2 -0.233 3.727 3.960 0.001 0.000 0.220 501 G HA3 -0.233 3.727 3.960 0.001 0.000 0.220 501 G C 1.404 176.260 174.900 -0.073 0.000 1.130 501 G CA 0.794 45.571 45.100 -0.539 0.000 0.760 501 G HN 0.399 nan 8.290 nan 0.000 0.557 502 E N 0.048 120.200 120.200 -0.081 0.000 2.472 502 E HA -0.067 4.283 4.350 0.001 0.000 0.200 502 E C 1.490 178.002 176.600 -0.147 0.000 1.046 502 E CA 0.536 56.786 56.400 -0.250 0.000 0.871 502 E CB 0.025 29.459 29.700 -0.444 0.000 0.806 502 E HN 0.610 nan 8.360 nan 0.000 0.533 503 Q N 0.230 119.932 119.800 -0.163 0.000 2.135 503 Q HA 0.294 4.634 4.340 0.001 0.000 0.231 503 Q C -0.217 175.745 176.000 -0.063 0.000 0.817 503 Q CA -0.083 55.651 55.803 -0.114 0.000 1.073 503 Q CB 0.956 29.593 28.738 -0.167 0.000 1.176 503 Q HN 0.101 nan 8.270 nan 0.000 0.478 504 L N -0.865 120.311 121.223 -0.078 0.000 2.323 504 L HA 0.410 4.751 4.340 0.001 0.000 0.265 504 L C 0.897 177.855 176.870 0.146 0.000 1.012 504 L CA -0.465 54.364 54.840 -0.018 0.000 0.820 504 L CB 1.984 43.925 42.059 -0.196 0.000 1.334 504 L HN -0.039 nan 8.230 nan 0.000 0.427 505 S N 0.920 116.718 115.700 0.163 0.000 2.377 505 S HA -0.055 4.416 4.470 0.001 0.000 0.223 505 S C 1.528 176.193 174.600 0.109 0.000 1.030 505 S CA 1.315 59.612 58.200 0.161 0.000 0.970 505 S CB -0.040 63.227 63.200 0.111 0.000 0.830 505 S HN 0.930 nan 8.310 nan 0.000 0.473 506 G N 0.081 108.926 108.800 0.074 0.000 2.956 506 G HA2 0.172 4.132 3.960 0.001 0.000 0.207 506 G HA3 0.172 4.132 3.960 0.001 0.000 0.207 506 G C 0.003 174.548 174.900 -0.591 0.000 1.162 506 G CA -0.066 44.806 45.100 -0.380 0.000 0.796 506 G HN 0.251 nan 8.290 nan 0.000 0.527 507 F N 0.398 120.244 119.950 -0.174 0.000 2.403 507 F HA 0.724 5.251 4.527 0.000 0.000 0.326 507 F C 0.443 176.530 175.800 0.478 0.000 1.081 507 F CA -1.258 56.808 58.000 0.110 0.000 1.041 507 F CB 1.982 41.129 39.000 0.245 0.000 1.234 507 F HN 0.073 nan 8.300 nan 0.000 0.503 508 A N 1.758 124.903 122.820 0.541 0.000 2.549 508 A HA 0.790 5.110 4.320 0.001 0.000 0.297 508 A C -1.986 175.726 177.584 0.213 0.000 1.061 508 A CA -0.511 51.829 52.037 0.504 0.000 0.690 508 A CB 0.828 20.084 19.000 0.428 0.000 1.287 508 A HN 0.458 nan 8.150 nan 0.000 0.402 509 F N 0.741 120.809 119.950 0.198 0.000 2.520 509 F HA 0.598 5.126 4.527 0.000 0.000 0.322 509 F C 0.835 176.689 175.800 0.090 0.000 1.103 509 F CA -0.197 57.887 58.000 0.139 0.000 0.926 509 F CB 2.595 41.667 39.000 0.119 0.000 1.154 509 F HN 0.499 nan 8.300 nan 0.000 0.453 510 T N 1.611 116.264 114.554 0.165 0.000 2.899 510 T HA 0.482 4.832 4.350 0.001 0.000 0.284 510 T C 0.892 175.653 174.700 0.102 0.000 1.004 510 T CA 0.022 62.194 62.100 0.119 0.000 1.043 510 T CB 1.679 70.603 68.868 0.092 0.000 1.013 510 T HN 0.726 nan 8.240 nan 0.000 0.518 511 A N 1.723 124.608 122.820 0.108 0.000 1.956 511 A HA 0.172 4.492 4.320 0.001 0.000 0.212 511 A C 1.665 179.353 177.584 0.173 0.000 1.188 511 A CA 0.417 52.529 52.037 0.125 0.000 0.675 511 A CB 0.092 19.163 19.000 0.117 0.000 0.845 511 A HN 0.718 nan 8.150 nan 0.000 0.455 512 N N -0.711 118.099 118.700 0.184 0.000 2.143 512 N HA 0.057 4.797 4.740 0.001 0.000 0.229 512 N C 0.767 176.439 175.510 0.270 0.000 1.294 512 N CA 0.522 53.774 53.050 0.336 0.000 0.883 512 N CB 0.737 39.429 38.487 0.341 0.000 1.148 512 N HN 0.312 nan 8.380 nan 0.000 0.511 513 G N 0.790 109.631 108.800 0.069 0.000 3.084 513 G HA2 0.015 3.975 3.960 0.001 0.000 0.254 513 G HA3 0.015 3.975 3.960 0.001 0.000 0.254 513 G C -0.340 174.464 174.900 -0.160 0.000 0.834 513 G CA -0.300 44.793 45.100 -0.012 0.000 1.999 513 G HN 0.135 nan 8.290 nan 0.000 0.611 514 W N -0.123 121.196 121.300 0.031 0.000 2.184 514 W HA 0.498 5.158 4.660 0.000 0.000 0.338 514 W C -0.007 176.492 176.519 -0.034 0.000 1.257 514 W CA -0.543 56.802 57.345 -0.000 0.000 1.243 514 W CB 1.140 30.593 29.460 -0.011 0.000 1.122 514 W HN -0.008 nan 8.180 nan 0.000 0.585 515 V N 1.931 121.965 119.914 0.199 0.000 2.709 515 V HA 0.209 4.330 4.120 0.001 0.000 0.308 515 V C -0.257 175.898 176.094 0.103 0.000 1.062 515 V CA -1.484 60.875 62.300 0.098 0.000 0.901 515 V CB 1.424 33.292 31.823 0.076 0.000 1.003 515 V HN 0.516 nan 8.190 nan 0.000 0.425 516 Q N 1.547 121.375 119.800 0.046 0.000 2.313 516 Q HA 0.252 4.592 4.340 0.001 0.000 0.266 516 Q C 0.768 176.885 176.000 0.195 0.000 0.989 516 Q CA 0.312 56.150 55.803 0.057 0.000 0.890 516 Q CB 1.191 29.922 28.738 -0.011 0.000 1.200 516 Q HN 0.870 nan 8.270 nan 0.000 0.396 517 S N 3.344 119.135 115.700 0.152 0.000 2.506 517 S HA 0.138 4.608 4.470 0.001 0.000 0.230 517 S C -1.124 173.643 174.600 0.278 0.000 1.066 517 S CA 0.301 58.649 58.200 0.246 0.000 0.940 517 S CB 0.229 63.527 63.200 0.164 0.000 0.818 517 S HN 0.666 nan 8.310 nan 0.000 0.518 518 Y N -2.543 117.749 120.300 -0.013 0.000 2.575 518 Y HA 0.447 4.997 4.550 0.001 0.000 0.346 518 Y C 0.060 175.782 175.900 -0.296 0.000 1.260 518 Y CA -0.864 57.133 58.100 -0.172 0.000 1.317 518 Y CB -0.047 38.301 38.460 -0.187 0.000 1.352 518 Y HN 0.380 nan 8.280 nan 0.000 0.492 519 G N 2.483 110.809 108.800 -0.790 0.000 2.622 519 G HA2 -0.296 3.664 3.960 0.001 0.000 0.307 519 G HA3 -0.296 3.664 3.960 0.001 0.000 0.307 519 G C 0.948 175.557 174.900 -0.485 0.000 1.226 519 G CA 1.643 46.034 45.100 -1.181 0.000 0.997 519 G HN 2.186 nan 8.290 nan 0.000 0.551 520 S N 0.769 116.321 115.700 -0.248 0.000 2.556 520 S HA 0.330 4.800 4.470 0.001 0.000 0.216 520 S C 0.838 175.256 174.600 -0.304 0.000 0.970 520 S CA 0.319 58.405 58.200 -0.191 0.000 0.912 520 S CB 0.217 63.410 63.200 -0.012 0.000 0.790 520 S HN 0.737 nan 8.310 nan 0.000 0.504 521 R N 0.957 121.186 120.500 -0.453 0.000 2.308 521 R HA 0.563 4.903 4.340 0.001 0.000 0.305 521 R C -0.548 175.612 176.300 -0.234 0.000 1.053 521 R CA -0.285 55.581 56.100 -0.389 0.000 0.957 521 R CB 0.350 30.297 30.300 -0.589 0.000 1.022 521 R HN 0.253 nan 8.270 nan 0.000 0.461 522 C N 1.254 120.506 119.300 -0.080 0.000 2.822 522 C HA 0.783 5.243 4.460 0.001 0.000 0.341 522 C C 0.167 175.318 174.990 0.269 0.000 1.301 522 C CA -0.775 58.311 59.018 0.114 0.000 1.706 522 C CB 2.080 29.947 27.740 0.211 0.000 2.178 522 C HN 0.716 nan 8.230 nan 0.000 0.481 523 V N -0.785 119.285 119.914 0.259 0.000 3.007 523 V HA 0.668 4.788 4.120 0.001 0.000 0.311 523 V C -0.966 175.053 176.094 -0.125 0.000 1.120 523 V CA -0.561 61.783 62.300 0.072 0.000 0.980 523 V CB 1.877 33.648 31.823 -0.088 0.000 1.033 523 V HN 0.859 nan 8.190 nan 0.000 0.429 524 K N 3.232 123.376 120.400 -0.426 0.000 2.540 524 K HA 0.499 4.819 4.320 0.001 0.000 0.218 524 K C -2.777 173.634 176.600 -0.316 0.000 1.017 524 K CA -1.726 54.191 56.287 -0.618 0.000 1.029 524 K CB 1.457 33.229 32.500 -1.213 0.000 1.348 524 K HN 0.623 nan 8.250 nan 0.000 0.508 525 P HA 0.090 nan 4.420 nan 0.000 0.265 525 P C -2.545 174.646 177.300 -0.181 0.000 1.193 525 P CA -0.793 62.146 63.100 -0.268 0.000 0.765 525 P CB 0.197 31.505 31.700 -0.652 0.000 0.823 526 P HA 0.112 nan 4.420 nan 0.000 0.273 526 P C -0.836 176.325 177.300 -0.232 0.000 1.250 526 P CA -0.009 62.828 63.100 -0.438 0.000 0.793 526 P CB 0.529 32.011 31.700 -0.362 0.000 1.011 527 V N 2.601 122.357 119.914 -0.262 0.000 2.378 527 V HA 0.313 4.434 4.120 0.001 0.000 0.288 527 V C 0.167 176.165 176.094 -0.160 0.000 1.016 527 V CA -0.344 61.907 62.300 -0.080 0.000 0.840 527 V CB 1.150 32.979 31.823 0.011 0.000 0.994 527 V HN 0.371 nan 8.190 nan 0.000 0.431 528 I N 6.278 126.718 120.570 -0.217 0.000 2.282 528 I HA 0.177 4.347 4.170 0.001 0.000 0.290 528 I C 0.865 177.019 176.117 0.061 0.000 1.090 528 I CA -0.292 60.751 61.300 -0.429 0.000 1.231 528 I CB 0.310 38.002 38.000 -0.515 0.000 1.434 528 I HN 0.854 nan 8.210 nan 0.000 0.487 529 Y N 4.283 124.681 120.300 0.164 0.000 2.476 529 Y HA 0.565 5.116 4.550 0.001 0.000 0.283 529 Y C 0.967 176.891 175.900 0.041 0.000 1.109 529 Y CA -0.091 58.182 58.100 0.289 0.000 1.246 529 Y CB -0.144 38.598 38.460 0.471 0.000 1.068 529 Y HN 0.330 nan 8.280 nan 0.000 0.552 530 G N -0.334 108.242 108.800 -0.374 0.000 2.870 530 G HA2 0.327 4.288 3.960 0.001 0.000 0.299 530 G HA3 0.327 4.288 3.960 0.001 0.000 0.299 530 G C -1.919 172.861 174.900 -0.199 0.000 1.324 530 G CA -1.047 43.937 45.100 -0.193 0.000 0.808 530 G HN -0.002 nan 8.290 nan 0.000 0.535 531 D N 0.496 120.839 120.400 -0.094 0.000 2.412 531 D HA 0.348 4.989 4.640 0.001 0.000 0.257 531 D C 0.609 176.898 176.300 -0.019 0.000 1.217 531 D CA 0.284 54.255 54.000 -0.048 0.000 0.897 531 D CB 1.354 42.145 40.800 -0.015 0.000 1.132 531 D HN 0.176 nan 8.370 nan 0.000 0.493 532 V N 2.151 122.078 119.914 0.021 0.000 2.732 532 V HA 0.589 4.709 4.120 0.001 0.000 0.297 532 V C 0.425 176.573 176.094 0.089 0.000 1.060 532 V CA -0.348 62.017 62.300 0.109 0.000 1.038 532 V CB 1.321 33.283 31.823 0.231 0.000 1.003 532 V HN 0.765 nan 8.190 nan 0.000 0.481 533 S N 3.416 119.173 115.700 0.094 0.000 2.560 533 S HA 0.379 4.849 4.470 0.001 0.000 0.283 533 S C -0.965 173.672 174.600 0.062 0.000 1.141 533 S CA -0.987 57.253 58.200 0.067 0.000 0.902 533 S CB 1.378 64.611 63.200 0.055 0.000 1.104 533 S HN 0.786 nan 8.310 nan 0.000 0.454 534 R N 2.729 123.258 120.500 0.048 0.000 2.272 534 R HA 0.327 4.668 4.340 0.001 0.000 0.334 534 R C -1.863 174.461 176.300 0.041 0.000 1.117 534 R CA -1.626 54.498 56.100 0.041 0.000 0.966 534 R CB -0.122 30.202 30.300 0.040 0.000 1.049 534 R HN 0.540 nan 8.270 nan 0.000 0.477 535 P HA -0.101 nan 4.420 nan 0.000 0.215 535 P C -0.542 176.780 177.300 0.036 0.000 1.157 535 P CA 1.401 64.525 63.100 0.040 0.000 0.863 535 P CB 0.333 32.059 31.700 0.044 0.000 0.787 536 K N -1.839 118.582 120.400 0.035 0.000 2.409 536 K HA 0.672 4.992 4.320 0.001 0.000 0.252 536 K C -0.364 176.265 176.600 0.049 0.000 1.036 536 K CA -1.122 55.188 56.287 0.038 0.000 0.871 536 K CB 1.654 34.175 32.500 0.033 0.000 1.374 536 K HN -0.141 nan 8.250 nan 0.000 0.459 540 V N 1.755 121.804 119.914 0.225 0.000 0.667 540 V HA -0.414 3.706 4.120 0.001 0.000 0.092 540 V C 1.568 177.724 176.094 0.103 0.000 1.130 540 V CA 2.964 65.347 62.300 0.138 0.000 3.175 540 V CB -1.871 30.025 31.823 0.121 0.000 0.378 540 V HN 0.571 nan 8.190 nan 0.000 0.359 541 F N 0.246 120.163 119.950 -0.056 0.000 2.039 541 F HA -0.320 4.208 4.527 0.000 0.000 0.296 541 F C 2.007 177.646 175.800 -0.269 0.000 1.119 541 F CA 3.137 60.986 58.000 -0.251 0.000 1.211 541 F CB -0.498 38.225 39.000 -0.462 0.000 0.956 541 F HN 0.425 nan 8.300 nan 0.000 0.496 542 W N -0.222 121.266 121.300 0.313 0.000 2.381 542 W HA -0.099 4.562 4.660 0.000 0.000 0.301 542 W C 2.777 179.217 176.519 -0.133 0.000 1.205 542 W CA 1.174 58.596 57.345 0.130 0.000 1.285 542 W CB -1.134 28.427 29.460 0.169 0.000 1.133 542 W HN -0.127 nan 8.180 nan 0.000 0.521 543 S N 0.138 115.870 115.700 0.053 0.000 2.383 543 S HA 0.036 4.506 4.470 0.001 0.000 0.227 543 S C 1.433 176.005 174.600 -0.047 0.000 1.026 543 S CA 0.813 58.973 58.200 -0.067 0.000 0.981 543 S CB -0.904 62.294 63.200 -0.003 0.000 0.818 543 S HN 0.181 nan 8.310 nan 0.000 0.472 547 Q N 2.085 121.887 119.800 0.003 0.000 2.844 547 Q HA 0.574 4.915 4.340 0.001 0.000 0.235 547 Q C -0.115 175.877 176.000 -0.013 0.000 1.336 547 Q CA 0.805 56.611 55.803 0.006 0.000 1.026 547 Q CB -0.571 28.171 28.738 0.005 0.000 1.513 547 Q HN 1.072 nan 8.270 nan 0.000 0.577 551 S N 1.142 116.850 115.700 0.014 0.000 2.540 551 S HA 0.399 4.869 4.470 0.001 0.000 0.218 551 S C 0.633 175.245 174.600 0.021 0.000 0.977 551 S CA -0.525 57.683 58.200 0.013 0.000 0.918 551 S CB -0.054 63.151 63.200 0.009 0.000 0.806 551 S HN 0.614 nan 8.310 nan 0.000 0.496 552 R N 1.535 122.052 120.500 0.028 0.000 2.596 552 R HA 0.563 4.904 4.340 0.001 0.000 0.267 552 R C -2.722 173.607 176.300 0.049 0.000 1.026 552 R CA -2.206 53.917 56.100 0.038 0.000 1.087 552 R CB 0.074 30.399 30.300 0.043 0.000 1.132 552 R HN 0.146 nan 8.270 nan 0.000 0.531 559 T N 0.762 115.066 114.554 -0.418 0.000 2.771 559 T HA 0.481 4.831 4.350 0.001 0.000 0.281 559 T C 0.399 175.003 174.700 -0.160 0.000 0.982 559 T CA -0.218 61.768 62.100 -0.190 0.000 0.978 559 T CB 1.593 70.381 68.868 -0.133 0.000 0.930 559 T HN 0.749 nan 8.240 nan 0.000 0.447 560 G N 3.791 112.582 108.800 -0.015 0.000 2.630 560 G HA2 0.203 4.163 3.960 0.001 0.000 0.236 560 G HA3 0.203 4.163 3.960 0.001 0.000 0.236 560 G C -1.023 173.887 174.900 0.017 0.000 1.248 560 G CA -1.045 44.088 45.100 0.055 0.000 0.844 560 G HN 0.431 nan 8.290 nan 0.000 0.588 561 P HA -0.061 nan 4.420 nan 0.000 0.225 561 P C 1.797 179.150 177.300 0.088 0.000 1.156 561 P CA 0.404 63.546 63.100 0.071 0.000 0.787 561 P CB 0.240 31.993 31.700 0.089 0.000 0.802 562 V N 0.482 120.437 119.914 0.068 0.000 2.323 562 V HA -0.163 3.958 4.120 0.001 0.000 0.244 562 V C 2.675 178.750 176.094 -0.032 0.000 1.041 562 V CA 2.478 64.806 62.300 0.046 0.000 1.025 562 V CB -1.807 29.999 31.823 -0.028 0.000 0.656 562 V HN 0.155 nan 8.190 nan 0.000 0.451 563 T N 0.430 114.909 114.554 -0.125 0.000 2.708 563 T HA -0.124 4.226 4.350 0.001 0.000 0.266 563 T C 1.847 176.445 174.700 -0.170 0.000 1.037 563 T CA 1.775 63.677 62.100 -0.331 0.000 1.146 563 T CB -0.304 68.338 68.868 -0.378 0.000 0.865 563 T HN 0.314 nan 8.240 nan 0.000 0.435 564 I N 0.608 121.186 120.570 0.015 0.000 2.264 564 I HA -0.175 3.995 4.170 0.001 0.000 0.248 564 I C 2.304 178.540 176.117 0.197 0.000 1.111 564 I CA 0.963 62.366 61.300 0.172 0.000 1.382 564 I CB -0.356 37.764 38.000 0.200 0.000 1.060 564 I HN 0.181 nan 8.210 nan 0.000 0.418 565 L N 0.991 122.297 121.223 0.137 0.000 2.005 565 L HA -0.176 4.165 4.340 0.001 0.000 0.207 565 L C 2.209 179.154 176.870 0.125 0.000 1.072 565 L CA 1.892 56.816 54.840 0.139 0.000 0.744 565 L CB -0.696 41.458 42.059 0.159 0.000 0.895 565 L HN 0.172 nan 8.230 nan 0.000 0.433 566 N N -0.780 117.966 118.700 0.077 0.000 2.166 566 N HA -0.197 4.544 4.740 0.001 0.000 0.186 566 N C 0.658 176.310 175.510 0.237 0.000 1.019 566 N CA 1.152 54.253 53.050 0.085 0.000 0.856 566 N CB -0.381 38.075 38.487 -0.053 0.000 0.993 566 N HN 0.435 nan 8.380 nan 0.000 0.426 567 W N 1.592 122.913 121.300 0.035 0.000 3.221 567 W HA 0.413 5.073 4.660 0.000 0.000 0.436 567 W C -0.056 176.417 176.519 -0.075 0.000 0.913 567 W CA -0.684 56.651 57.345 -0.016 0.000 2.004 567 W CB -0.986 28.496 29.460 0.036 0.000 1.007 567 W HN -0.231 nan 8.180 nan 0.000 0.838 568 S N -0.635 115.114 115.700 0.082 0.000 2.651 568 S HA 0.524 4.994 4.470 0.001 0.000 0.279 568 S C -1.304 173.211 174.600 -0.142 0.000 1.148 568 S CA -0.602 57.567 58.200 -0.052 0.000 0.837 568 S CB 1.646 64.867 63.200 0.035 0.000 1.138 568 S HN -0.182 nan 8.310 nan 0.000 0.478 569 F N 2.153 122.068 119.950 -0.058 0.000 2.368 569 F HA 0.374 4.901 4.527 0.001 0.000 0.362 569 F C 0.164 175.979 175.800 0.024 0.000 1.137 569 F CA -0.651 57.304 58.000 -0.076 0.000 1.161 569 F CB 0.251 39.104 39.000 -0.244 0.000 1.265 569 F HN 0.129 nan 8.300 nan 0.000 0.530 570 V N 4.994 125.072 119.914 0.275 0.000 2.649 570 V HA 0.257 4.377 4.120 0.001 0.000 0.292 570 V C 0.520 176.887 176.094 0.455 0.000 1.055 570 V CA -1.111 61.340 62.300 0.252 0.000 1.023 570 V CB 0.969 32.874 31.823 0.137 0.000 0.992 570 V HN 0.628 nan 8.190 nan 0.000 0.480 571 R N 3.863 124.551 120.500 0.314 0.000 2.538 571 R HA 0.012 4.352 4.340 0.001 0.000 0.282 571 R C 0.160 176.402 176.300 -0.096 0.000 1.009 571 R CA 0.074 56.178 56.100 0.007 0.000 1.063 571 R CB -0.068 30.075 30.300 -0.260 0.000 0.945 571 R HN 0.826 nan 8.270 nan 0.000 0.414 572 N N 1.797 120.328 118.700 -0.282 0.000 2.346 572 N HA -0.069 4.672 4.740 0.001 0.000 0.225 572 N C -0.626 174.759 175.510 -0.208 0.000 1.144 572 N CA -0.159 52.816 53.050 -0.124 0.000 0.837 572 N CB 0.222 38.733 38.487 0.040 0.000 1.069 572 N HN 0.748 nan 8.380 nan 0.000 0.487 573 D N -1.291 118.942 120.400 -0.277 0.000 2.433 573 D HA 0.013 4.653 4.640 0.001 0.000 0.211 573 D C 0.167 176.356 176.300 -0.184 0.000 1.114 573 D CA 0.065 53.920 54.000 -0.241 0.000 0.837 573 D CB 0.095 40.706 40.800 -0.315 0.000 0.984 573 D HN 0.620 nan 8.370 nan 0.000 0.505 574 Q N -1.047 118.647 119.800 -0.177 0.000 2.522 574 Q HA 0.556 4.896 4.340 0.001 0.000 0.285 574 Q C -3.213 172.657 176.000 -0.216 0.000 0.982 574 Q CA -1.971 53.724 55.803 -0.180 0.000 0.805 574 Q CB 1.067 29.694 28.738 -0.186 0.000 1.457 574 Q HN -0.298 nan 8.270 nan 0.000 0.394 575 P HA 0.052 nan 4.420 nan 0.000 0.266 575 P C 0.027 176.998 177.300 -0.549 0.000 1.195 575 P CA -0.073 62.770 63.100 -0.428 0.000 0.768 575 P CB 0.616 31.915 31.700 -0.669 0.000 0.838 576 R N 2.050 122.322 120.500 -0.379 0.000 2.112 576 R HA -0.248 4.092 4.340 0.001 0.000 0.242 576 R C 2.316 178.185 176.300 -0.718 0.000 1.137 576 R CA 2.078 57.973 56.100 -0.341 0.000 0.944 576 R CB -0.990 29.279 30.300 -0.051 0.000 0.857 576 R HN 0.760 nan 8.270 nan 0.000 0.435 577 H N 0.046 118.358 119.070 -1.263 0.000 2.319 577 H HA -0.159 4.398 4.556 0.001 0.000 0.297 577 H C 1.781 176.563 175.328 -0.910 0.000 1.097 577 H CA 1.667 56.650 56.048 -1.774 0.000 1.285 577 H CB -0.487 27.941 29.762 -2.224 0.000 1.368 577 H HN 0.382 nan 8.280 nan 0.000 0.495 578 E N 0.860 120.538 120.200 -0.869 0.000 2.097 578 E HA -0.149 4.201 4.350 0.001 0.000 0.196 578 E C 1.959 178.441 176.600 -0.197 0.000 1.000 578 E CA 2.116 58.327 56.400 -0.316 0.000 0.804 578 E CB 0.109 29.594 29.700 -0.359 0.000 0.740 578 E HN 0.568 nan 8.360 nan 0.000 0.454 579 T N -0.180 114.213 114.554 -0.268 0.000 2.857 579 T HA -0.155 4.195 4.350 0.001 0.000 0.266 579 T C 1.938 176.585 174.700 -0.087 0.000 1.048 579 T CA 0.954 62.967 62.100 -0.144 0.000 1.139 579 T CB -0.501 68.285 68.868 -0.138 0.000 0.874 579 T HN 0.346 nan 8.240 nan 0.000 0.455 580 C N 0.831 120.029 119.300 -0.170 0.000 2.432 580 C HA -0.109 4.352 4.460 0.001 0.000 0.277 580 C C 2.358 177.360 174.990 0.019 0.000 1.249 580 C CA 0.418 59.398 59.018 -0.063 0.000 1.725 580 C CB -1.465 26.236 27.740 -0.064 0.000 2.028 580 C HN 0.562 nan 8.230 nan 0.000 0.477 581 Y N 1.243 121.531 120.300 -0.020 0.000 2.274 581 Y HA -0.141 4.410 4.550 0.000 0.000 0.290 581 Y C 2.633 178.514 175.900 -0.033 0.000 1.145 581 Y CA 1.459 59.535 58.100 -0.040 0.000 1.203 581 Y CB -1.064 37.356 38.460 -0.066 0.000 0.984 581 Y HN 0.529 nan 8.280 nan 0.000 0.533 582 Q N -0.355 119.522 119.800 0.129 0.000 2.079 582 Q HA -0.152 4.189 4.340 0.001 0.000 0.200 582 Q C 2.300 178.348 176.000 0.081 0.000 0.974 582 Q CA 1.665 57.514 55.803 0.077 0.000 0.840 582 Q CB -0.302 28.463 28.738 0.045 0.000 0.898 582 Q HN 0.487 nan 8.270 nan 0.000 0.430 583 I N 0.743 121.370 120.570 0.096 0.000 2.226 583 I HA -0.270 3.900 4.170 0.001 0.000 0.245 583 I C 2.456 178.616 176.117 0.073 0.000 1.100 583 I CA 0.921 62.286 61.300 0.108 0.000 1.374 583 I CB -0.439 37.643 38.000 0.137 0.000 1.057 583 I HN 0.145 nan 8.210 nan 0.000 0.413 584 A N 0.757 123.626 122.820 0.083 0.000 1.908 584 A HA -0.191 4.129 4.320 0.001 0.000 0.218 584 A C 2.162 179.754 177.584 0.014 0.000 1.181 584 A CA 1.546 53.615 52.037 0.054 0.000 0.627 584 A CB -0.716 18.343 19.000 0.099 0.000 0.818 584 A HN 0.299 nan 8.150 nan 0.000 0.445 585 L N -0.536 120.701 121.223 0.023 0.000 2.083 585 L HA -0.117 4.224 4.340 0.001 0.000 0.209 585 L C 2.942 179.817 176.870 0.008 0.000 1.083 585 L CA 1.863 56.705 54.840 0.003 0.000 0.752 585 L CB -0.773 41.290 42.059 0.007 0.000 0.899 585 L HN 0.398 nan 8.230 nan 0.000 0.433 586 A N -0.757 122.077 122.820 0.023 0.000 1.929 586 A HA -0.114 4.206 4.320 0.001 0.000 0.216 586 A C 2.128 179.718 177.584 0.009 0.000 1.176 586 A CA 1.221 53.273 52.037 0.024 0.000 0.628 586 A CB -0.498 18.527 19.000 0.042 0.000 0.816 586 A HN 0.270 nan 8.150 nan 0.000 0.444 587 I N 0.118 120.684 120.570 -0.008 0.000 2.315 587 I HA -0.180 3.990 4.170 0.001 0.000 0.248 587 I C 2.263 178.360 176.117 -0.033 0.000 1.117 587 I CA 1.623 62.901 61.300 -0.036 0.000 1.404 587 I CB -1.223 36.736 38.000 -0.069 0.000 1.071 587 I HN 0.426 nan 8.210 nan 0.000 0.419 588 K N 1.066 121.445 120.400 -0.035 0.000 2.113 588 K HA -0.240 4.080 4.320 0.001 0.000 0.208 588 K C 1.609 178.197 176.600 -0.020 0.000 1.047 588 K CA 1.846 58.108 56.287 -0.041 0.000 0.928 588 K CB 0.069 32.544 32.500 -0.041 0.000 0.716 588 K HN 0.276 nan 8.250 nan 0.000 0.446 589 D N 0.709 121.107 120.400 -0.003 0.000 2.078 589 D HA -0.159 4.481 4.640 0.001 0.000 0.193 589 D C 1.895 178.207 176.300 0.020 0.000 0.990 589 D CA 0.963 54.969 54.000 0.010 0.000 0.827 589 D CB -0.272 40.540 40.800 0.019 0.000 0.975 589 D HN 0.224 nan 8.370 nan 0.000 0.451 590 E N 0.620 120.839 120.200 0.032 0.000 2.130 590 E HA -0.132 4.218 4.350 0.001 0.000 0.196 590 E C 2.391 179.017 176.600 0.044 0.000 0.998 590 E CA 0.403 56.836 56.400 0.056 0.000 0.806 590 E CB -0.264 29.486 29.700 0.082 0.000 0.738 590 E HN 0.154 nan 8.360 nan 0.000 0.459 591 V N 0.890 120.814 119.914 0.016 0.000 2.343 591 V HA -0.226 3.894 4.120 0.001 0.000 0.247 591 V C 2.017 178.117 176.094 0.010 0.000 1.051 591 V CA 1.863 64.167 62.300 0.006 0.000 1.036 591 V CB -0.418 31.386 31.823 -0.032 0.000 0.654 591 V HN 0.214 nan 8.190 nan 0.000 0.451 592 E N -0.488 119.716 120.200 0.006 0.000 2.435 592 E HA -0.119 4.232 4.350 0.001 0.000 0.195 592 E C 1.464 178.074 176.600 0.017 0.000 1.029 592 E CA 0.678 57.083 56.400 0.008 0.000 0.865 592 E CB 0.052 29.753 29.700 0.002 0.000 0.833 592 E HN 0.582 nan 8.360 nan 0.000 0.510 593 D N -0.466 119.950 120.400 0.027 0.000 2.355 593 D HA -0.008 4.633 4.640 0.001 0.000 0.206 593 D C 1.378 177.700 176.300 0.036 0.000 1.010 593 D CA 0.197 54.216 54.000 0.032 0.000 0.875 593 D CB 0.257 41.082 40.800 0.042 0.000 0.966 593 D HN 0.054 nan 8.370 nan 0.000 0.512 594 L N 1.038 122.288 121.223 0.044 0.000 2.217 594 L HA -0.010 4.330 4.340 0.001 0.000 0.211 594 L C 2.137 179.027 176.870 0.034 0.000 1.107 594 L CA 1.352 56.221 54.840 0.049 0.000 0.783 594 L CB -0.354 41.743 42.059 0.064 0.000 0.919 594 L HN 0.031 nan 8.230 nan 0.000 0.442 595 E N -0.191 120.026 120.200 0.028 0.000 2.028 595 E HA -0.197 4.153 4.350 0.001 0.000 0.190 595 E C 1.935 178.545 176.600 0.016 0.000 0.984 595 E CA 0.839 57.252 56.400 0.022 0.000 0.800 595 E CB 0.078 29.788 29.700 0.018 0.000 0.758 595 E HN 0.352 nan 8.360 nan 0.000 0.448 596 K N -0.329 120.079 120.400 0.014 0.000 2.360 596 K HA -0.094 4.227 4.320 0.001 0.000 0.201 596 K C 1.798 178.400 176.600 0.004 0.000 1.046 596 K CA 0.861 57.153 56.287 0.009 0.000 0.940 596 K CB -0.049 32.456 32.500 0.009 0.000 0.748 596 K HN 0.199 nan 8.250 nan 0.000 0.465 597 G N -0.179 108.625 108.800 0.006 0.000 2.777 597 G HA2 0.116 4.076 3.960 0.001 0.000 0.211 597 G HA3 0.116 4.076 3.960 0.001 0.000 0.211 597 G C 0.856 175.751 174.900 -0.008 0.000 1.149 597 G CA 0.398 45.496 45.100 -0.004 0.000 0.785 597 G HN 0.382 nan 8.290 nan 0.000 0.536 598 G N -0.592 108.210 108.800 0.003 0.000 2.154 598 G HA2 -0.203 3.757 3.960 0.001 0.000 0.186 598 G HA3 -0.203 3.757 3.960 0.001 0.000 0.186 598 G C -0.044 174.865 174.900 0.015 0.000 1.000 598 G CA -0.222 44.881 45.100 0.005 0.000 0.664 598 G HN 0.258 nan 8.290 nan 0.000 0.513 599 I N 2.290 122.874 120.570 0.022 0.000 2.301 599 I HA 0.522 4.692 4.170 0.001 0.000 0.292 599 I C 1.592 177.736 176.117 0.045 0.000 1.046 599 I CA 0.458 61.779 61.300 0.036 0.000 1.282 599 I CB 1.250 39.275 38.000 0.042 0.000 1.409 599 I HN 0.100 nan 8.210 nan 0.000 0.484 600 G N 5.513 114.344 108.800 0.052 0.000 2.838 600 G HA2 0.185 4.145 3.960 0.001 0.000 0.210 600 G HA3 0.185 4.145 3.960 0.001 0.000 0.210 600 G C 0.308 175.260 174.900 0.086 0.000 1.153 600 G CA 0.212 45.348 45.100 0.061 0.000 0.778 600 G HN 0.365 nan 8.290 nan 0.000 0.539 601 V N 1.502 121.474 119.914 0.096 0.000 2.487 601 V HA 0.537 4.657 4.120 0.001 0.000 0.298 601 V C -0.699 175.459 176.094 0.107 0.000 1.028 601 V CA -0.700 61.680 62.300 0.133 0.000 0.860 601 V CB 1.788 33.691 31.823 0.133 0.000 0.991 601 V HN 0.103 nan 8.190 nan 0.000 0.427 602 I N 4.083 124.731 120.570 0.131 0.000 2.499 602 I HA 0.483 4.653 4.170 0.001 0.000 0.288 602 I C -0.525 175.671 176.117 0.132 0.000 1.048 602 I CA -0.553 60.811 61.300 0.106 0.000 1.062 602 I CB 2.217 40.265 38.000 0.080 0.000 1.238 602 I HN 0.626 nan 8.210 nan 0.000 0.426 603 Q N 6.618 126.481 119.800 0.105 0.000 2.293 603 Q HA 0.667 5.007 4.340 0.001 0.000 0.261 603 Q C -1.483 174.596 176.000 0.131 0.000 0.960 603 Q CA -0.415 55.459 55.803 0.118 0.000 0.882 603 Q CB 1.716 30.476 28.738 0.037 0.000 1.275 603 Q HN 0.610 nan 8.270 nan 0.000 0.445 604 I N 4.056 124.730 120.570 0.175 0.000 2.439 604 I HA 0.281 4.451 4.170 0.001 0.000 0.283 604 I C -1.237 175.002 176.117 0.204 0.000 1.023 604 I CA -1.071 60.338 61.300 0.183 0.000 1.100 604 I CB 1.627 39.770 38.000 0.238 0.000 1.238 604 I HN 0.652 nan 8.210 nan 0.000 0.445 605 D N 5.962 126.451 120.400 0.147 0.000 2.225 605 D HA 0.317 4.957 4.640 0.001 0.000 0.248 605 D C -0.264 176.070 176.300 0.056 0.000 1.096 605 D CA -0.506 53.576 54.000 0.137 0.000 0.863 605 D CB 1.313 42.226 40.800 0.188 0.000 1.156 605 D HN 0.254 nan 8.370 nan 0.000 0.450 606 E N 1.080 121.272 120.200 -0.013 0.000 3.167 606 E HA 0.279 4.629 4.350 0.001 0.000 0.212 606 E C 0.423 176.951 176.600 -0.120 0.000 1.143 606 E CA -0.521 55.830 56.400 -0.082 0.000 1.002 606 E CB 1.108 30.737 29.700 -0.119 0.000 1.315 606 E HN 0.580 nan 8.360 nan 0.000 0.422 607 A N 1.339 124.053 122.820 -0.177 0.000 1.902 607 A HA -0.066 4.254 4.320 0.001 0.000 0.217 607 A C 1.630 179.041 177.584 -0.288 0.000 1.181 607 A CA 1.733 53.631 52.037 -0.232 0.000 0.623 607 A CB 0.141 19.074 19.000 -0.112 0.000 0.818 607 A HN 0.339 nan 8.150 nan 0.000 0.443 608 A N -1.130 121.400 122.820 -0.482 0.000 3.003 608 A HA 0.530 4.851 4.320 0.001 0.000 0.301 608 A C 1.194 178.710 177.584 -0.114 0.000 1.280 608 A CA -0.235 51.587 52.037 -0.359 0.000 0.973 608 A CB -0.474 17.893 19.000 -1.056 0.000 1.110 608 A HN 0.420 nan 8.150 nan 0.000 0.590 609 L N -0.203 121.047 121.223 0.046 0.000 2.083 609 L HA -0.029 4.311 4.340 0.001 0.000 0.209 609 L C 2.280 179.163 176.870 0.022 0.000 1.083 609 L CA 1.988 56.831 54.840 0.006 0.000 0.752 609 L CB -0.195 41.858 42.059 -0.011 0.000 0.899 609 L HN 0.574 nan 8.230 nan 0.000 0.433 610 R N -1.070 119.423 120.500 -0.011 0.000 2.275 610 R HA -0.047 4.293 4.340 0.001 0.000 0.199 610 R C 1.564 177.817 176.300 -0.079 0.000 0.989 610 R CA 0.301 56.301 56.100 -0.167 0.000 1.016 610 R CB 0.066 30.004 30.300 -0.603 0.000 0.918 610 R HN 0.317 nan 8.270 nan 0.000 0.473 611 E N -0.097 120.119 120.200 0.026 0.000 2.204 611 E HA -0.085 4.265 4.350 0.001 0.000 0.194 611 E C 1.494 178.030 176.600 -0.108 0.000 0.989 611 E CA 1.281 57.689 56.400 0.013 0.000 0.824 611 E CB -0.178 29.593 29.700 0.118 0.000 0.756 611 E HN 0.505 nan 8.360 nan 0.000 0.477 612 G N 0.489 109.165 108.800 -0.207 0.000 3.141 612 G HA2 0.077 4.037 3.960 0.001 0.000 0.218 612 G HA3 0.077 4.037 3.960 0.001 0.000 0.218 612 G C 0.532 174.787 174.900 -1.075 0.000 1.170 612 G CA -0.441 44.397 45.100 -0.436 0.000 0.769 612 G HN 0.125 nan 8.290 nan 0.000 0.546 613 L N 1.765 122.429 121.223 -0.932 0.000 2.615 613 L HA 0.125 4.465 4.340 0.001 0.000 0.271 613 L C -1.697 174.914 176.870 -0.432 0.000 1.183 613 L CA -1.249 53.089 54.840 -0.837 0.000 0.933 613 L CB 0.866 42.596 42.059 -0.548 0.000 1.199 613 L HN 0.019 nan 8.230 nan 0.000 0.487 614 P HA -0.066 nan 4.420 nan 0.000 0.269 614 P C 0.707 178.072 177.300 0.109 0.000 1.211 614 P CA 0.004 63.107 63.100 0.004 0.000 0.781 614 P CB 0.626 32.409 31.700 0.139 0.000 0.877 615 L N -0.248 121.042 121.223 0.111 0.000 2.270 615 L HA 0.060 4.400 4.340 0.001 0.000 0.210 615 L C 1.368 178.309 176.870 0.118 0.000 1.104 615 L CA 0.452 55.375 54.840 0.138 0.000 0.804 615 L CB -0.239 41.916 42.059 0.160 0.000 0.937 615 L HN 0.305 nan 8.230 nan 0.000 0.450 616 R N 1.068 121.617 120.500 0.082 0.000 2.316 616 R HA 0.027 4.368 4.340 0.001 0.000 0.314 616 R C 1.084 177.300 176.300 -0.140 0.000 1.069 616 R CA 0.213 56.312 56.100 -0.001 0.000 0.959 616 R CB 0.557 30.865 30.300 0.015 0.000 0.987 616 R HN 0.004 nan 8.270 nan 0.000 0.446 617 K N 1.407 121.630 120.400 -0.296 0.000 2.103 617 K HA -0.139 4.181 4.320 0.001 0.000 0.207 617 K C 1.410 177.701 176.600 -0.515 0.000 1.048 617 K CA 1.883 57.729 56.287 -0.734 0.000 0.930 617 K CB 0.052 32.306 32.500 -0.411 0.000 0.716 617 K HN 0.733 nan 8.250 nan 0.000 0.444 618 S N 0.634 116.210 115.700 -0.207 0.000 2.603 618 S HA -0.054 4.417 4.470 0.001 0.000 0.229 618 S C 1.211 175.811 174.600 -0.000 0.000 0.972 618 S CA 0.695 58.845 58.200 -0.084 0.000 0.935 618 S CB -0.060 63.111 63.200 -0.047 0.000 0.769 618 S HN 0.271 nan 8.310 nan 0.000 0.536 619 E N -0.250 119.963 120.200 0.022 0.000 2.498 619 E HA 0.138 4.488 4.350 0.001 0.000 0.203 619 E C 1.114 177.897 176.600 0.306 0.000 1.013 619 E CA -0.135 56.362 56.400 0.162 0.000 0.927 619 E CB 0.040 29.833 29.700 0.154 0.000 1.012 619 E HN 0.751 nan 8.360 nan 0.000 0.482 620 H N 0.638 119.771 119.070 0.105 0.000 2.293 620 H HA -0.086 4.470 4.556 0.000 0.000 0.300 620 H C 2.348 177.752 175.328 0.127 0.000 1.082 620 H CA 0.798 56.909 56.048 0.105 0.000 1.308 620 H CB 0.154 29.945 29.762 0.048 0.000 1.375 620 H HN 0.166 nan 8.280 nan 0.000 0.495 621 A N 1.529 124.497 122.820 0.246 0.000 1.881 621 A HA -0.286 4.035 4.320 0.001 0.000 0.219 621 A C 2.206 179.884 177.584 0.157 0.000 1.215 621 A CA 2.026 54.162 52.037 0.164 0.000 0.648 621 A CB -1.239 17.849 19.000 0.147 0.000 0.832 621 A HN 0.471 nan 8.150 nan 0.000 0.455 622 F N -0.990 119.030 119.950 0.116 0.000 2.126 622 F HA -0.226 4.301 4.527 0.000 0.000 0.299 622 F C 2.150 178.009 175.800 0.098 0.000 1.096 622 F CA 2.123 60.215 58.000 0.153 0.000 1.255 622 F CB -0.495 38.633 39.000 0.213 0.000 0.997 622 F HN 0.435 nan 8.300 nan 0.000 0.479 623 Y N 0.597 120.853 120.300 -0.072 0.000 2.109 623 Y HA -0.177 4.373 4.550 0.000 0.000 0.285 623 Y C 2.044 177.403 175.900 -0.902 0.000 1.131 623 Y CA 1.975 59.687 58.100 -0.646 0.000 1.121 623 Y CB -0.842 37.442 38.460 -0.294 0.000 0.987 623 Y HN 0.062 nan 8.280 nan 0.000 0.495 624 L N 0.479 121.311 121.223 -0.652 0.000 2.187 624 L HA -0.222 4.118 4.340 0.001 0.000 0.213 624 L C 2.127 178.692 176.870 -0.507 0.000 1.100 624 L CA 1.775 56.254 54.840 -0.602 0.000 0.765 624 L CB -0.682 41.240 42.059 -0.228 0.000 0.904 624 L HN 0.355 nan 8.230 nan 0.000 0.437 625 D N 0.042 120.193 120.400 -0.414 0.000 2.084 625 D HA -0.234 4.407 4.640 0.001 0.000 0.199 625 D C 2.162 178.356 176.300 -0.175 0.000 0.981 625 D CA 1.473 55.324 54.000 -0.248 0.000 0.841 625 D CB -0.308 40.379 40.800 -0.189 0.000 0.997 625 D HN 0.410 nan 8.370 nan 0.000 0.454 626 W N 0.679 121.767 121.300 -0.353 0.000 2.425 626 W HA 0.063 4.723 4.660 0.001 0.000 0.277 626 W C 1.726 178.095 176.519 -0.249 0.000 1.231 626 W CA 0.656 57.844 57.345 -0.262 0.000 1.248 626 W CB -0.720 28.414 29.460 -0.543 0.000 1.117 626 W HN 0.059 nan 8.180 nan 0.000 0.568 627 A N 1.767 124.211 122.820 -0.627 0.000 1.855 627 A HA -0.077 4.243 4.320 0.001 0.000 0.215 627 A C 2.291 179.752 177.584 -0.205 0.000 1.191 627 A CA 2.330 53.993 52.037 -0.623 0.000 0.613 627 A CB -1.074 17.151 19.000 -1.292 0.000 0.829 627 A HN 0.117 nan 8.150 nan 0.000 0.442 628 V N -0.385 119.402 119.914 -0.211 0.000 2.358 628 V HA -0.280 3.840 4.120 0.001 0.000 0.246 628 V C 2.405 178.591 176.094 0.153 0.000 1.047 628 V CA 2.240 64.511 62.300 -0.049 0.000 1.035 628 V CB -1.036 30.718 31.823 -0.116 0.000 0.658 628 V HN 0.815 nan 8.190 nan 0.000 0.452 629 H N 0.049 119.147 119.070 0.046 0.000 2.319 629 H HA -0.183 4.373 4.556 0.001 0.000 0.299 629 H C 2.516 177.967 175.328 0.205 0.000 1.092 629 H CA 1.513 57.627 56.048 0.111 0.000 1.302 629 H CB 0.213 30.089 29.762 0.190 0.000 1.373 629 H HN 0.429 nan 8.280 nan 0.000 0.497 630 S N 0.305 116.233 115.700 0.380 0.000 2.387 630 S HA -0.213 4.257 4.470 0.001 0.000 0.230 630 S C 1.759 176.470 174.600 0.185 0.000 1.035 630 S CA 1.456 59.832 58.200 0.294 0.000 1.014 630 S CB -0.539 62.817 63.200 0.261 0.000 0.836 630 S HN 0.437 nan 8.310 nan 0.000 0.466 631 F N 2.408 122.391 119.950 0.056 0.000 2.146 631 F HA -0.025 4.502 4.527 0.001 0.000 0.298 631 F C 2.283 178.096 175.800 0.021 0.000 1.096 631 F CA 1.211 59.221 58.000 0.017 0.000 1.275 631 F CB -0.184 38.809 39.000 -0.011 0.000 1.008 631 F HN -0.007 nan 8.300 nan 0.000 0.480 632 R N 0.333 120.843 120.500 0.016 0.000 2.092 632 R HA -0.093 4.248 4.340 0.001 0.000 0.231 632 R C 2.298 178.534 176.300 -0.106 0.000 1.119 632 R CA 1.750 57.805 56.100 -0.076 0.000 0.970 632 R CB -0.618 29.712 30.300 0.051 0.000 0.864 632 R HN 0.367 nan 8.270 nan 0.000 0.440 633 I N 0.490 121.028 120.570 -0.053 0.000 2.423 633 I HA -0.276 3.895 4.170 0.001 0.000 0.254 633 I C 1.953 178.003 176.117 -0.113 0.000 1.151 633 I CA 1.228 62.474 61.300 -0.090 0.000 1.421 633 I CB -0.403 37.518 38.000 -0.132 0.000 1.079 633 I HN 0.187 nan 8.210 nan 0.000 0.431 634 T N 1.226 115.676 114.554 -0.174 0.000 2.777 634 T HA -0.126 4.225 4.350 0.001 0.000 0.266 634 T C 1.119 175.702 174.700 -0.196 0.000 1.040 634 T CA 1.903 63.883 62.100 -0.201 0.000 1.141 634 T CB -0.285 68.400 68.868 -0.306 0.000 0.868 634 T HN 0.594 nan 8.240 nan 0.000 0.444 635 N N -0.173 118.379 118.700 -0.246 0.000 2.241 635 N HA 0.112 4.852 4.740 0.001 0.000 0.238 635 N C 1.519 176.964 175.510 -0.108 0.000 1.244 635 N CA 0.086 53.034 53.050 -0.170 0.000 0.880 635 N CB -0.783 37.579 38.487 -0.209 0.000 1.179 635 N HN 0.467 nan 8.380 nan 0.000 0.513 636 C N -1.570 117.676 119.300 -0.091 0.000 2.419 636 C HA 0.216 4.676 4.460 0.001 0.000 0.281 636 C C 2.029 177.005 174.990 -0.024 0.000 1.336 636 C CA 0.579 59.572 59.018 -0.041 0.000 1.770 636 C CB -1.296 26.432 27.740 -0.021 0.000 1.929 636 C HN 0.489 nan 8.230 nan 0.000 0.509 637 G N 0.208 108.990 108.800 -0.031 0.000 3.371 637 G HA2 0.390 4.351 3.960 0.001 0.000 0.248 637 G HA3 0.390 4.351 3.960 0.001 0.000 0.248 637 G C 0.314 175.204 174.900 -0.015 0.000 1.161 637 G CA 0.335 45.424 45.100 -0.018 0.000 0.796 637 G HN 0.467 nan 8.290 nan 0.000 0.539 638 V N -0.239 119.663 119.914 -0.019 0.000 3.036 638 V HA 0.311 4.431 4.120 0.001 0.000 0.308 638 V C 0.421 176.513 176.094 -0.003 0.000 1.070 638 V CA -0.828 61.465 62.300 -0.012 0.000 1.056 638 V CB 1.759 33.571 31.823 -0.018 0.000 1.084 638 V HN 0.229 nan 8.190 nan 0.000 0.471 639 Q N 1.737 121.539 119.800 0.004 0.000 2.697 639 Q HA 0.092 4.433 4.340 0.001 0.000 0.196 639 Q C 0.339 176.344 176.000 0.009 0.000 1.121 639 Q CA 0.508 56.315 55.803 0.007 0.000 1.151 639 Q CB 0.274 29.019 28.738 0.011 0.000 1.250 639 Q HN 0.866 nan 8.270 nan 0.000 0.658 640 D N -1.234 119.173 120.400 0.010 0.000 2.355 640 D HA -0.035 4.606 4.640 0.001 0.000 0.206 640 D C 1.528 177.838 176.300 0.017 0.000 1.010 640 D CA 0.723 54.730 54.000 0.011 0.000 0.875 640 D CB 0.300 41.105 40.800 0.008 0.000 0.966 640 D HN 0.412 nan 8.370 nan 0.000 0.512 641 S N -0.606 115.107 115.700 0.020 0.000 2.478 641 S HA 0.004 4.474 4.470 0.001 0.000 0.222 641 S C 1.063 175.687 174.600 0.039 0.000 1.008 641 S CA -0.012 58.205 58.200 0.029 0.000 0.928 641 S CB -0.331 62.884 63.200 0.025 0.000 0.781 641 S HN -0.040 nan 8.310 nan 0.000 0.518 642 T N 3.179 117.753 114.554 0.034 0.000 2.779 642 T HA 0.217 4.567 4.350 0.001 0.000 0.296 642 T C -0.409 174.320 174.700 0.049 0.000 0.938 642 T CA -0.093 62.033 62.100 0.043 0.000 1.119 642 T CB 0.835 69.722 68.868 0.031 0.000 0.891 642 T HN 0.365 nan 8.240 nan 0.000 0.526 643 Q N 3.114 122.961 119.800 0.078 0.000 2.331 643 Q HA 0.364 4.704 4.340 0.001 0.000 0.257 643 Q C -0.951 175.106 176.000 0.095 0.000 0.957 643 Q CA -0.789 55.060 55.803 0.077 0.000 0.923 643 Q CB 0.461 29.278 28.738 0.132 0.000 1.212 643 Q HN 0.469 nan 8.270 nan 0.000 0.443 644 I N 4.152 124.736 120.570 0.024 0.000 2.365 644 I HA 0.207 4.378 4.170 0.001 0.000 0.291 644 I C -0.094 176.008 176.117 -0.025 0.000 1.004 644 I CA -0.102 61.228 61.300 0.050 0.000 1.311 644 I CB 1.002 39.021 38.000 0.031 0.000 1.401 644 I HN 0.559 nan 8.210 nan 0.000 0.491 645 H N 3.423 122.505 119.070 0.020 0.000 2.524 645 H HA 0.453 5.009 4.556 0.001 0.000 0.353 645 H C -0.600 174.767 175.328 0.066 0.000 1.136 645 H CA -0.502 55.529 56.048 -0.029 0.000 1.193 645 H CB 2.321 32.015 29.762 -0.113 0.000 1.558 645 H HN 0.409 nan 8.280 nan 0.000 0.515 646 T N 1.286 115.924 114.554 0.140 0.000 2.893 646 T HA 0.320 4.670 4.350 0.001 0.000 0.291 646 T C -1.123 173.634 174.700 0.096 0.000 1.028 646 T CA -0.542 61.625 62.100 0.113 0.000 0.995 646 T CB 1.424 70.255 68.868 -0.061 0.000 1.051 646 T HN 0.659 nan 8.240 nan 0.000 0.470 650 Y N -0.045 120.219 120.300 -0.060 0.000 2.655 650 Y HA 0.705 5.256 4.550 0.000 0.000 0.336 650 Y C 0.811 176.683 175.900 -0.046 0.000 1.154 650 Y CA -0.371 57.630 58.100 -0.165 0.000 1.055 650 Y CB 1.555 39.718 38.460 -0.496 0.000 1.295 650 Y HN 0.235 nan 8.280 nan 0.000 0.465 651 S N -1.920 113.772 115.700 -0.012 0.000 2.744 651 S HA 0.251 4.721 4.470 0.001 0.000 0.265 651 S C -0.681 173.818 174.600 -0.169 0.000 1.065 651 S CA -0.184 58.037 58.200 0.035 0.000 1.191 651 S CB 0.053 63.177 63.200 -0.126 0.000 1.150 651 S HN 0.634 nan 8.310 nan 0.000 0.646 652 H N 0.661 119.603 119.070 -0.215 0.000 2.595 652 H HA 0.488 5.045 4.556 0.000 0.000 0.313 652 H C -1.045 173.982 175.328 -0.502 0.000 1.023 652 H CA -0.598 55.335 56.048 -0.192 0.000 1.218 652 H CB 0.805 30.473 29.762 -0.156 0.000 1.403 652 H HN 0.311 nan 8.280 nan 0.000 0.477 653 F N 0.706 120.647 119.950 -0.015 0.000 2.798 653 F HA 0.112 4.639 4.527 0.000 0.000 0.328 653 F C 1.589 177.301 175.800 -0.147 0.000 1.098 653 F CA -0.362 57.566 58.000 -0.121 0.000 1.172 653 F CB 0.123 39.000 39.000 -0.204 0.000 1.072 653 F HN 0.320 nan 8.300 nan 0.000 0.555 654 N N 0.902 119.632 118.700 0.050 0.000 2.322 654 N HA -0.183 4.558 4.740 0.001 0.000 0.189 654 N C 0.865 176.365 175.510 -0.017 0.000 1.012 654 N CA 1.684 54.731 53.050 -0.005 0.000 0.880 654 N CB -0.227 38.265 38.487 0.009 0.000 0.967 654 N HN 0.375 nan 8.380 nan 0.000 0.439 655 D N -0.687 119.699 120.400 -0.025 0.000 2.501 655 D HA 0.086 4.727 4.640 0.001 0.000 0.226 655 D C 0.770 177.050 176.300 -0.033 0.000 1.198 655 D CA -0.065 53.919 54.000 -0.027 0.000 0.830 655 D CB 0.027 40.804 40.800 -0.038 0.000 1.014 655 D HN 0.374 nan 8.370 nan 0.000 0.496 656 I N -0.812 119.745 120.570 -0.022 0.000 4.494 656 I HA -0.018 4.152 4.170 0.001 0.000 0.393 656 I C 0.546 176.672 176.117 0.015 0.000 1.100 656 I CA -0.155 61.132 61.300 -0.022 0.000 1.300 656 I CB 0.342 38.285 38.000 -0.095 0.000 2.388 656 I HN -0.264 nan 8.210 nan 0.000 0.754 657 I N 1.983 122.550 120.570 -0.004 0.000 2.151 657 I HA -0.328 3.843 4.170 0.001 0.000 0.243 657 I C 2.192 178.289 176.117 -0.033 0.000 1.080 657 I CA 2.241 63.483 61.300 -0.097 0.000 1.339 657 I CB -1.007 36.854 38.000 -0.232 0.000 1.039 657 I HN 0.495 nan 8.210 nan 0.000 0.409 658 H N 0.377 119.413 119.070 -0.057 0.000 2.457 658 H HA -0.082 4.475 4.556 0.001 0.000 0.297 658 H C 2.258 177.576 175.328 -0.017 0.000 1.092 658 H CA 1.879 57.915 56.048 -0.021 0.000 1.309 658 H CB 0.142 29.896 29.762 -0.014 0.000 1.382 658 H HN 0.261 nan 8.280 nan 0.000 0.535 659 S N -0.717 114.920 115.700 -0.105 0.000 2.414 659 S HA -0.032 4.438 4.470 0.001 0.000 0.227 659 S C 2.002 176.509 174.600 -0.155 0.000 1.022 659 S CA 0.914 59.016 58.200 -0.164 0.000 0.958 659 S CB 0.006 63.130 63.200 -0.127 0.000 0.797 659 S HN 0.267 nan 8.310 nan 0.000 0.493 660 I N 1.875 122.381 120.570 -0.106 0.000 2.315 660 I HA -0.065 4.105 4.170 0.001 0.000 0.248 660 I C 1.942 178.029 176.117 -0.050 0.000 1.117 660 I CA 1.024 62.263 61.300 -0.102 0.000 1.404 660 I CB -0.443 37.492 38.000 -0.109 0.000 1.071 660 I HN 0.252 nan 8.210 nan 0.000 0.419 661 I N -0.388 120.166 120.570 -0.027 0.000 2.353 661 I HA -0.164 4.007 4.170 0.001 0.000 0.248 661 I C 0.895 177.011 176.117 -0.000 0.000 1.119 661 I CA 0.598 61.964 61.300 0.111 0.000 1.417 661 I CB -0.354 37.733 38.000 0.146 0.000 1.078 661 I HN 0.175 nan 8.210 nan 0.000 0.421 665 A N 0.663 123.577 122.820 0.157 0.000 2.312 665 A HA 0.521 4.842 4.320 0.001 0.000 0.326 665 A C 1.004 178.597 177.584 0.015 0.000 1.172 665 A CA -0.519 51.599 52.037 0.134 0.000 0.821 665 A CB 0.996 20.084 19.000 0.147 0.000 1.166 665 A HN 0.223 nan 8.150 nan 0.000 0.493 666 D N 0.144 120.513 120.400 -0.053 0.000 2.117 666 D HA 0.004 4.644 4.640 0.001 0.000 0.197 666 D C 0.245 176.426 176.300 -0.198 0.000 0.987 666 D CA 1.801 55.730 54.000 -0.118 0.000 0.829 666 D CB 0.053 40.779 40.800 -0.124 0.000 0.961 666 D HN 0.246 nan 8.370 nan 0.000 0.460 667 V N 1.015 120.717 119.914 -0.353 0.000 2.851 667 V HA 0.359 4.479 4.120 0.001 0.000 0.307 667 V C -0.320 175.579 176.094 -0.326 0.000 1.129 667 V CA -1.063 60.955 62.300 -0.471 0.000 0.932 667 V CB 2.790 33.962 31.823 -1.085 0.000 1.024 667 V HN 0.044 nan 8.190 nan 0.000 0.426 668 I N 1.321 121.764 120.570 -0.211 0.000 2.689 668 I HA 0.976 5.146 4.170 0.001 0.000 0.299 668 I C -0.353 175.675 176.117 -0.148 0.000 1.059 668 I CA -0.462 60.751 61.300 -0.146 0.000 1.055 668 I CB 2.807 40.710 38.000 -0.161 0.000 1.243 668 I HN 0.708 nan 8.210 nan 0.000 0.425 669 T N 4.806 119.337 114.554 -0.039 0.000 2.890 669 T HA 0.666 5.016 4.350 0.001 0.000 0.295 669 T C -0.125 174.646 174.700 0.119 0.000 0.993 669 T CA -0.573 61.550 62.100 0.039 0.000 0.979 669 T CB 1.227 70.149 68.868 0.089 0.000 0.967 669 T HN 0.784 nan 8.240 nan 0.000 0.441 670 I N 0.029 120.620 120.570 0.036 0.000 4.120 670 I HA 0.653 4.824 4.170 0.001 0.000 0.239 670 I C 0.779 176.948 176.117 0.088 0.000 1.195 670 I CA -1.310 60.024 61.300 0.057 0.000 1.348 670 I CB 0.877 38.953 38.000 0.127 0.000 1.409 670 I HN 0.465 nan 8.210 nan 0.000 0.474 671 E N 0.067 120.330 120.200 0.105 0.000 2.797 671 E HA 0.089 4.440 4.350 0.001 0.000 0.315 671 E C 0.391 177.016 176.600 0.043 0.000 0.666 671 E CA 0.135 56.566 56.400 0.051 0.000 1.587 671 E CB -0.073 29.639 29.700 0.018 0.000 1.775 671 E HN 0.753 nan 8.360 nan 0.000 0.522 672 N N -0.472 118.248 118.700 0.035 0.000 2.639 672 N HA -0.326 4.415 4.740 0.001 0.000 0.220 672 N C 0.763 176.274 175.510 0.003 0.000 0.636 672 N CA 1.913 54.975 53.050 0.021 0.000 1.703 672 N CB -1.448 37.061 38.487 0.037 0.000 1.667 672 N HN 0.296 nan 8.380 nan 0.000 0.359 673 S N 0.890 116.597 115.700 0.011 0.000 2.853 673 S HA -0.304 4.166 4.470 0.001 0.000 0.317 673 S C 0.609 175.214 174.600 0.008 0.000 1.307 673 S CA 3.102 61.307 58.200 0.009 0.000 1.101 673 S CB -0.934 62.256 63.200 -0.017 0.000 1.242 673 S HN 0.874 nan 8.310 nan 0.000 0.741 674 R N -1.242 119.261 120.500 0.006 0.000 2.470 674 R HA 0.383 4.724 4.340 0.001 0.000 0.312 674 R C -0.632 175.673 176.300 0.008 0.000 0.760 674 R CA 0.032 56.138 56.100 0.009 0.000 0.970 674 R CB -0.369 29.936 30.300 0.007 0.000 1.480 674 R HN 0.234 nan 8.270 nan 0.000 0.586 675 S N 0.277 115.981 115.700 0.006 0.000 2.697 675 S HA 0.414 4.884 4.470 0.001 0.000 0.289 675 S C -1.268 173.343 174.600 0.019 0.000 1.149 675 S CA -0.901 57.302 58.200 0.004 0.000 0.850 675 S CB 1.817 64.994 63.200 -0.038 0.000 1.151 675 S HN 0.141 nan 8.310 nan 0.000 0.491 676 D N 2.396 122.813 120.400 0.027 0.000 2.382 676 D HA 0.155 4.795 4.640 0.001 0.000 0.245 676 D C 0.977 177.301 176.300 0.039 0.000 1.120 676 D CA -0.234 53.787 54.000 0.034 0.000 0.890 676 D CB 0.469 41.292 40.800 0.039 0.000 1.201 676 D HN 0.504 nan 8.370 nan 0.000 0.433 677 E N 1.762 121.986 120.200 0.040 0.000 2.502 677 E HA -0.079 4.271 4.350 0.001 0.000 0.194 677 E C 0.556 177.189 176.600 0.055 0.000 1.062 677 E CA 0.379 56.807 56.400 0.047 0.000 0.867 677 E CB -0.094 29.630 29.700 0.040 0.000 0.888 677 E HN 0.480 nan 8.360 nan 0.000 0.510 678 K N 0.903 121.334 120.400 0.050 0.000 2.116 678 K HA 0.101 4.422 4.320 0.001 0.000 0.203 678 K C 2.195 178.832 176.600 0.060 0.000 1.052 678 K CA 0.537 56.855 56.287 0.051 0.000 0.952 678 K CB -0.148 32.378 32.500 0.042 0.000 0.729 678 K HN 0.049 nan 8.250 nan 0.000 0.446 679 L N 1.387 122.648 121.223 0.063 0.000 2.349 679 L HA -0.135 4.205 4.340 0.001 0.000 0.220 679 L C 1.861 178.785 176.870 0.089 0.000 1.130 679 L CA 0.734 55.615 54.840 0.068 0.000 0.791 679 L CB -0.610 41.490 42.059 0.068 0.000 0.918 679 L HN 0.186 nan 8.230 nan 0.000 0.444 680 L N -1.128 120.168 121.223 0.123 0.000 2.551 680 L HA -0.079 4.261 4.340 0.001 0.000 0.228 680 L C 2.249 179.246 176.870 0.211 0.000 1.153 680 L CA 0.290 55.262 54.840 0.220 0.000 0.851 680 L CB -0.293 41.864 42.059 0.163 0.000 0.959 680 L HN 0.110 nan 8.230 nan 0.000 0.451 681 S N -0.440 115.328 115.700 0.112 0.000 2.701 681 S HA -0.001 4.470 4.470 0.001 0.000 0.220 681 S C 1.538 176.165 174.600 0.045 0.000 0.954 681 S CA 0.244 58.497 58.200 0.088 0.000 0.936 681 S CB -0.137 63.100 63.200 0.060 0.000 0.777 681 S HN 0.358 nan 8.310 nan 0.000 0.518 682 V N -2.070 117.833 119.914 -0.017 0.000 3.649 682 V HA 0.387 4.508 4.120 0.001 0.000 0.275 682 V C 0.979 176.914 176.094 -0.265 0.000 1.281 682 V CA 0.491 62.702 62.300 -0.148 0.000 1.143 682 V CB -0.969 30.717 31.823 -0.229 0.000 0.892 682 V HN 0.433 nan 8.190 nan 0.000 0.441 683 F N 0.950 120.884 119.950 -0.027 0.000 2.664 683 F HA 0.488 5.016 4.527 0.000 0.000 0.303 683 F C 1.890 177.718 175.800 0.047 0.000 1.092 683 F CA -0.154 57.824 58.000 -0.036 0.000 1.305 683 F CB 0.144 39.085 39.000 -0.099 0.000 1.054 683 F HN 0.121 nan 8.300 nan 0.000 0.565 684 R N -1.406 119.194 120.500 0.166 0.000 3.069 684 R HA 0.139 4.479 4.340 0.001 0.000 0.141 684 R C 0.227 176.577 176.300 0.083 0.000 1.845 684 R CA -0.633 55.546 56.100 0.133 0.000 1.419 684 R CB -0.292 30.075 30.300 0.111 0.000 1.346 684 R HN -0.225 nan 8.270 nan 0.000 0.467 685 E N 1.734 121.968 120.200 0.056 0.000 2.765 685 E HA -0.073 4.277 4.350 0.001 0.000 0.256 685 E C 0.560 177.177 176.600 0.029 0.000 0.935 685 E CA 1.344 57.766 56.400 0.036 0.000 0.954 685 E CB 0.478 30.193 29.700 0.025 0.000 0.908 685 E HN 0.651 nan 8.360 nan 0.000 0.500 686 G N 2.609 111.426 108.800 0.028 0.000 2.244 686 G HA2 -0.298 3.663 3.960 0.001 0.000 0.274 686 G HA3 -0.298 3.663 3.960 0.001 0.000 0.274 686 G C 0.762 175.682 174.900 0.034 0.000 1.002 686 G CA 0.600 45.713 45.100 0.021 0.000 0.740 686 G HN 0.432 nan 8.290 nan 0.000 0.516 687 V N -0.913 119.037 119.914 0.059 0.000 3.177 687 V HA 0.365 4.485 4.120 0.001 0.000 0.219 687 V C 1.312 177.484 176.094 0.131 0.000 1.344 687 V CA 1.252 63.609 62.300 0.096 0.000 1.324 687 V CB 0.371 32.247 31.823 0.089 0.000 1.165 687 V HN 0.647 nan 8.190 nan 0.000 0.510 688 K N 0.045 120.525 120.400 0.133 0.000 3.419 688 K HA -0.299 4.021 4.320 0.001 0.000 0.272 688 K C 0.673 177.373 176.600 0.167 0.000 0.973 688 K CA 0.513 56.876 56.287 0.128 0.000 0.749 688 K CB -1.123 31.423 32.500 0.077 0.000 1.403 688 K HN 0.576 nan 8.250 nan 0.000 0.456 689 Y N 0.506 120.868 120.300 0.104 0.000 2.030 689 Y HA -0.142 4.408 4.550 0.000 0.000 0.274 689 Y C 1.518 177.452 175.900 0.057 0.000 1.153 689 Y CA 2.945 61.109 58.100 0.108 0.000 1.115 689 Y CB -0.485 38.086 38.460 0.185 0.000 0.969 689 Y HN 0.653 nan 8.280 nan 0.000 0.488 690 G N 0.651 109.409 108.800 -0.069 0.000 2.330 690 G HA2 0.277 4.237 3.960 0.001 0.000 0.239 690 G HA3 0.277 4.237 3.960 0.001 0.000 0.239 690 G C -0.429 174.196 174.900 -0.459 0.000 0.818 690 G CA 0.412 45.402 45.100 -0.183 0.000 1.189 690 G HN 1.409 nan 8.290 nan 0.000 0.337 691 A N 1.019 123.570 122.820 -0.448 0.000 2.602 691 A HA 0.817 5.137 4.320 0.001 0.000 0.301 691 A C 0.666 178.181 177.584 -0.114 0.000 0.972 691 A CA 0.252 52.038 52.037 -0.418 0.000 0.704 691 A CB -0.178 18.344 19.000 -0.797 0.000 1.264 691 A HN 2.491 nan 8.150 nan 0.000 0.410 692 G N -0.184 108.612 108.800 -0.006 0.000 2.241 692 G HA2 0.435 4.395 3.960 0.001 0.000 0.235 692 G HA3 0.435 4.395 3.960 0.001 0.000 0.235 692 G C -0.024 174.903 174.900 0.046 0.000 1.127 692 G CA 1.270 46.422 45.100 0.086 0.000 0.867 692 G HN 1.842 nan 8.290 nan 0.000 0.473 693 I N 0.956 121.560 120.570 0.057 0.000 2.800 693 I HA 0.621 4.791 4.170 0.001 0.000 0.294 693 I C -0.354 175.770 176.117 0.011 0.000 1.538 693 I CA -0.719 60.533 61.300 -0.080 0.000 1.010 693 I CB 2.177 40.056 38.000 -0.202 0.000 1.381 693 I HN 0.903 nan 8.210 nan 0.000 0.462 694 G N 6.385 115.149 108.800 -0.060 0.000 2.029 694 G HA2 0.497 4.457 3.960 0.001 0.000 0.293 694 G HA3 0.497 4.457 3.960 0.001 0.000 0.293 694 G C -3.406 171.498 174.900 0.007 0.000 1.362 694 G CA -0.626 44.507 45.100 0.053 0.000 1.226 694 G HN 0.299 nan 8.290 nan 0.000 0.599 695 P HA 0.345 nan 4.420 nan 0.000 0.276 695 P C 0.884 178.206 177.300 0.038 0.000 1.244 695 P CA -0.106 62.998 63.100 0.006 0.000 0.801 695 P CB 1.105 32.805 31.700 0.001 0.000 1.006 696 G N 0.386 109.208 108.800 0.037 0.000 2.380 696 G HA2 0.287 4.247 3.960 0.001 0.000 0.242 696 G HA3 0.287 4.247 3.960 0.001 0.000 0.242 696 G C 0.862 175.789 174.900 0.045 0.000 1.298 696 G CA -0.318 44.802 45.100 0.034 0.000 0.878 696 G HN 0.433 nan 8.290 nan 0.000 0.542 697 V N 0.035 119.992 119.914 0.072 0.000 3.604 697 V HA 0.358 4.479 4.120 0.001 0.000 0.277 697 V C 0.075 176.260 176.094 0.152 0.000 1.399 697 V CA -0.004 62.350 62.300 0.090 0.000 1.034 697 V CB -0.361 31.513 31.823 0.085 0.000 0.824 697 V HN 0.616 nan 8.190 nan 0.000 0.439 698 Y N 2.429 122.720 120.300 -0.015 0.000 2.363 698 Y HA 0.653 5.203 4.550 0.000 0.000 0.325 698 Y C -0.635 175.233 175.900 -0.054 0.000 0.984 698 Y CA -2.390 55.694 58.100 -0.025 0.000 1.248 698 Y CB 1.016 39.463 38.460 -0.021 0.000 1.116 698 Y HN 0.338 nan 8.280 nan 0.000 0.470 699 D N 5.709 125.995 120.400 -0.190 0.000 2.346 699 D HA 0.046 4.686 4.640 0.001 0.000 0.267 699 D C 0.891 176.807 176.300 -0.641 0.000 1.320 699 D CA 0.059 53.861 54.000 -0.330 0.000 0.951 699 D CB 0.313 41.038 40.800 -0.124 0.000 1.079 699 D HN 0.559 nan 8.370 nan 0.000 0.509 700 I N 0.377 120.473 120.570 -0.790 0.000 3.686 700 I HA 0.136 4.306 4.170 0.001 0.000 0.308 700 I C 0.514 176.432 176.117 -0.332 0.000 1.254 700 I CA 0.452 61.311 61.300 -0.735 0.000 1.175 700 I CB -0.547 37.087 38.000 -0.611 0.000 1.009 700 I HN 0.431 nan 8.210 nan 0.000 0.459 701 H N -0.762 118.179 119.070 -0.217 0.000 2.652 701 H HA 0.363 4.919 4.556 0.000 0.000 0.274 701 H C 0.520 175.794 175.328 -0.090 0.000 1.021 701 H CA -0.117 55.852 56.048 -0.131 0.000 1.187 701 H CB 0.642 30.335 29.762 -0.114 0.000 1.505 701 H HN 0.388 nan 8.280 nan 0.000 0.530 702 S N 1.724 117.436 115.700 0.019 0.000 2.478 702 S HA 0.167 4.637 4.470 0.001 0.000 0.312 702 S C -1.994 172.639 174.600 0.056 0.000 1.094 702 S CA -1.775 56.445 58.200 0.033 0.000 1.081 702 S CB 1.244 64.466 63.200 0.037 0.000 1.007 702 S HN 0.078 nan 8.310 nan 0.000 0.475 703 P HA 0.016 nan 4.420 nan 0.000 0.251 703 P C -0.158 177.190 177.300 0.080 0.000 1.251 703 P CA 0.095 63.233 63.100 0.065 0.000 0.763 703 P CB -0.383 31.340 31.700 0.039 0.000 1.067 704 R N -0.481 120.076 120.500 0.094 0.000 2.720 704 R HA 0.550 4.890 4.340 0.001 0.000 0.272 704 R C 0.011 176.382 176.300 0.119 0.000 0.991 704 R CA -1.060 55.092 56.100 0.086 0.000 1.010 704 R CB 0.864 31.201 30.300 0.061 0.000 1.141 704 R HN -0.266 nan 8.270 nan 0.000 0.494 705 I N 2.121 122.728 120.570 0.062 0.000 2.472 705 I HA 0.274 4.444 4.170 0.001 0.000 0.290 705 I C -1.847 174.281 176.117 0.018 0.000 1.016 705 I CA -2.801 58.507 61.300 0.015 0.000 1.348 705 I CB 0.771 38.760 38.000 -0.018 0.000 1.417 705 I HN 0.729 nan 8.210 nan 0.000 0.521 706 P HA 0.188 nan 4.420 nan 0.000 0.199 706 P C -0.323 176.967 177.300 -0.017 0.000 1.878 706 P CA -0.410 62.698 63.100 0.013 0.000 1.202 706 P CB 0.369 32.108 31.700 0.066 0.000 1.719 707 S N 0.796 116.487 115.700 -0.015 0.000 3.255 707 S HA -0.201 4.269 4.470 0.001 0.000 0.393 707 S C 1.450 176.040 174.600 -0.017 0.000 1.170 707 S CA 0.478 58.668 58.200 -0.017 0.000 0.926 707 S CB -0.374 62.823 63.200 -0.006 0.000 0.627 707 S HN 0.427 nan 8.310 nan 0.000 0.465 708 S N 1.740 117.427 115.700 -0.021 0.000 2.488 708 S HA -0.201 4.270 4.470 0.001 0.000 0.246 708 S C 1.745 176.341 174.600 -0.007 0.000 0.992 708 S CA 1.500 59.690 58.200 -0.017 0.000 0.963 708 S CB -0.622 62.567 63.200 -0.017 0.000 0.754 708 S HN 0.927 nan 8.310 nan 0.000 0.519 709 E N 0.128 120.326 120.200 -0.003 0.000 2.122 709 E HA -0.060 4.290 4.350 0.001 0.000 0.190 709 E C 1.814 178.418 176.600 0.007 0.000 0.977 709 E CA 0.780 57.181 56.400 0.002 0.000 0.820 709 E CB -0.473 29.228 29.700 0.002 0.000 0.770 709 E HN 0.580 nan 8.360 nan 0.000 0.462 710 E N 1.177 121.383 120.200 0.009 0.000 2.077 710 E HA -0.129 4.221 4.350 0.001 0.000 0.193 710 E C 2.204 178.817 176.600 0.021 0.000 0.989 710 E CA 1.238 57.648 56.400 0.017 0.000 0.800 710 E CB -0.126 29.587 29.700 0.022 0.000 0.746 710 E HN 0.336 nan 8.360 nan 0.000 0.452 711 I N 1.171 121.753 120.570 0.019 0.000 2.163 711 I HA -0.225 3.945 4.170 0.001 0.000 0.240 711 I C 2.546 178.675 176.117 0.021 0.000 1.081 711 I CA 0.901 62.216 61.300 0.025 0.000 1.353 711 I CB -0.372 37.639 38.000 0.018 0.000 1.054 711 I HN 0.062 nan 8.210 nan 0.000 0.407 712 A N 0.114 122.941 122.820 0.012 0.000 2.131 712 A HA -0.291 4.029 4.320 0.001 0.000 0.220 712 A C 1.857 179.448 177.584 0.012 0.000 1.158 712 A CA 2.338 54.381 52.037 0.010 0.000 0.665 712 A CB -0.655 18.348 19.000 0.004 0.000 0.795 712 A HN 0.509 nan 8.150 nan 0.000 0.460 713 D N -0.827 119.581 120.400 0.015 0.000 2.144 713 D HA -0.051 4.589 4.640 0.001 0.000 0.207 713 D C 2.209 178.521 176.300 0.020 0.000 0.970 713 D CA 0.915 54.924 54.000 0.016 0.000 0.853 713 D CB -0.110 40.699 40.800 0.015 0.000 1.007 713 D HN 0.371 nan 8.370 nan 0.000 0.469 714 R N 0.136 120.651 120.500 0.024 0.000 2.127 714 R HA -0.087 4.253 4.340 0.001 0.000 0.238 714 R C 2.344 178.661 176.300 0.029 0.000 1.134 714 R CA 0.976 57.093 56.100 0.029 0.000 0.975 714 R CB -0.521 29.800 30.300 0.034 0.000 0.865 714 R HN 0.180 nan 8.270 nan 0.000 0.447 715 V N 2.081 122.011 119.914 0.027 0.000 2.295 715 V HA -0.256 3.864 4.120 0.001 0.000 0.246 715 V C 1.909 178.015 176.094 0.021 0.000 1.049 715 V CA 1.792 64.108 62.300 0.026 0.000 1.024 715 V CB -0.507 31.329 31.823 0.022 0.000 0.648 715 V HN 0.364 nan 8.190 nan 0.000 0.447 716 N N -0.022 118.688 118.700 0.017 0.000 2.142 716 N HA -0.077 4.664 4.740 0.001 0.000 0.186 716 N C 1.040 176.561 175.510 0.019 0.000 1.023 716 N CA 0.732 53.791 53.050 0.015 0.000 0.852 716 N CB -0.160 38.334 38.487 0.012 0.000 0.998 716 N HN 0.552 nan 8.380 nan 0.000 0.424 720 A N 0.328 123.163 122.820 0.025 0.000 1.854 720 A HA 0.052 4.372 4.320 0.001 0.000 0.214 720 A C 1.874 179.477 177.584 0.032 0.000 1.192 720 A CA 2.023 54.075 52.037 0.026 0.000 0.611 720 A CB -0.264 18.751 19.000 0.025 0.000 0.832 720 A HN 0.052 nan 8.150 nan 0.000 0.442 721 V N 0.229 120.167 119.914 0.039 0.000 2.450 721 V HA 0.059 4.179 4.120 0.001 0.000 0.222 721 V C 1.152 177.280 176.094 0.056 0.000 1.102 721 V CA 0.178 62.508 62.300 0.050 0.000 1.102 721 V CB -1.019 30.840 31.823 0.060 0.000 0.715 721 V HN 0.459 nan 8.190 nan 0.000 0.491 722 L N 1.893 123.151 121.223 0.059 0.000 2.601 722 L HA 0.027 4.368 4.340 0.001 0.000 0.277 722 L C 0.531 177.428 176.870 0.046 0.000 1.219 722 L CA -0.022 54.851 54.840 0.056 0.000 0.915 722 L CB -0.261 41.815 42.059 0.028 0.000 1.160 722 L HN 0.378 nan 8.230 nan 0.000 0.494 723 E N 2.583 122.813 120.200 0.050 0.000 2.459 723 E HA -0.158 4.192 4.350 0.001 0.000 0.264 723 E C 0.657 177.275 176.600 0.030 0.000 1.055 723 E CA 0.517 56.939 56.400 0.038 0.000 0.957 723 E CB 0.629 30.352 29.700 0.039 0.000 0.952 723 E HN 0.546 nan 8.360 nan 0.000 0.448 724 Q N 3.629 123.439 119.800 0.017 0.000 2.331 724 Q HA -0.150 4.190 4.340 0.001 0.000 0.203 724 Q C 1.291 177.287 176.000 -0.007 0.000 0.944 724 Q CA 0.734 56.539 55.803 0.005 0.000 0.892 724 Q CB -0.046 28.691 28.738 -0.002 0.000 0.983 724 Q HN 0.651 nan 8.270 nan 0.000 0.482 725 N N 1.427 120.126 118.700 -0.001 0.000 2.334 725 N HA -0.159 4.581 4.740 0.001 0.000 0.187 725 N C 0.672 176.178 175.510 -0.006 0.000 1.016 725 N CA 1.449 54.494 53.050 -0.009 0.000 0.879 725 N CB 0.115 38.602 38.487 -0.001 0.000 0.965 725 N HN 0.478 nan 8.380 nan 0.000 0.438 726 I N -1.676 118.908 120.570 0.023 0.000 3.114 726 I HA 0.357 4.527 4.170 0.001 0.000 0.326 726 I C -0.965 175.250 176.117 0.163 0.000 1.510 726 I CA -1.017 60.330 61.300 0.078 0.000 0.918 726 I CB -0.013 38.045 38.000 0.098 0.000 1.561 726 I HN -0.228 nan 8.210 nan 0.000 0.565 727 L N 1.779 123.051 121.223 0.082 0.000 2.289 727 L HA 0.736 5.076 4.340 0.001 0.000 0.285 727 L C -1.136 175.809 176.870 0.125 0.000 1.049 727 L CA 0.135 55.057 54.840 0.136 0.000 0.804 727 L CB 0.826 42.921 42.059 0.061 0.000 1.195 727 L HN 0.258 nan 8.230 nan 0.000 0.428 728 W N 3.943 125.245 121.300 0.004 0.000 2.576 728 W HA 0.680 5.340 4.660 0.000 0.000 0.360 728 W C -0.772 175.757 176.519 0.016 0.000 1.109 728 W CA -0.636 56.723 57.345 0.023 0.000 1.237 728 W CB 1.576 31.066 29.460 0.050 0.000 1.369 728 W HN 0.162 nan 8.180 nan 0.000 0.609 729 V N 3.997 124.075 119.914 0.273 0.000 2.349 729 V HA 0.386 4.506 4.120 0.001 0.000 0.284 729 V C -0.289 175.907 176.094 0.171 0.000 1.014 729 V CA -0.900 61.498 62.300 0.164 0.000 0.826 729 V CB 0.107 31.984 31.823 0.090 0.000 1.009 729 V HN 0.625 nan 8.190 nan 0.000 0.431 730 N N 4.239 123.023 118.700 0.139 0.000 2.697 730 N HA 0.624 5.364 4.740 0.001 0.000 0.272 730 N C -3.154 172.403 175.510 0.079 0.000 1.381 730 N CA -1.641 51.469 53.050 0.100 0.000 0.797 730 N CB 2.453 40.982 38.487 0.070 0.000 1.523 730 N HN 0.120 nan 8.380 nan 0.000 0.518 731 P HA 0.111 nan 4.420 nan 0.000 0.330 731 P C 0.110 177.396 177.300 -0.024 0.000 1.377 731 P CA 0.345 63.480 63.100 0.059 0.000 0.793 731 P CB 0.388 32.094 31.700 0.011 0.000 1.813 732 D N -2.755 117.564 120.400 -0.135 0.000 2.454 732 D HA 0.159 4.799 4.640 0.001 0.000 0.219 732 D C 0.263 176.502 176.300 -0.103 0.000 1.081 732 D CA 0.275 54.193 54.000 -0.136 0.000 0.867 732 D CB 0.384 41.027 40.800 -0.262 0.000 1.054 732 D HN 0.184 nan 8.370 nan 0.000 0.500 733 C N -2.210 116.982 119.300 -0.180 0.000 3.293 733 C HA 0.610 5.070 4.460 0.001 0.000 0.352 733 C C 0.343 175.189 174.990 -0.240 0.000 1.607 733 C CA -0.247 58.678 59.018 -0.156 0.000 1.129 733 C CB 0.520 28.208 27.740 -0.086 0.000 1.854 733 C HN 0.255 nan 8.230 nan 0.000 0.414 734 G N 0.447 109.123 108.800 -0.207 0.000 2.683 734 G HA2 0.449 4.410 3.960 0.001 0.000 0.260 734 G HA3 0.449 4.410 3.960 0.001 0.000 0.260 734 G C -0.189 174.567 174.900 -0.240 0.000 1.238 734 G CA -0.230 44.726 45.100 -0.240 0.000 0.934 734 G HN 0.887 nan 8.290 nan 0.000 0.534 735 L N -0.228 120.823 121.223 -0.286 0.000 3.218 735 L HA 0.303 4.643 4.340 0.001 0.000 0.279 735 L C 2.013 178.780 176.870 -0.173 0.000 1.287 735 L CA -0.179 54.529 54.840 -0.220 0.000 1.024 735 L CB 0.493 42.404 42.059 -0.246 0.000 1.409 735 L HN 0.645 nan 8.230 nan 0.000 0.580 736 K N 0.843 121.159 120.400 -0.141 0.000 2.057 736 K HA -0.126 4.194 4.320 0.001 0.000 0.206 736 K C 1.998 178.551 176.600 -0.079 0.000 1.050 736 K CA 1.952 58.178 56.287 -0.101 0.000 0.935 736 K CB 0.177 32.634 32.500 -0.071 0.000 0.715 736 K HN 0.404 nan 8.250 nan 0.000 0.439 737 T N -1.455 113.067 114.554 -0.054 0.000 3.113 737 T HA 0.095 4.445 4.350 0.001 0.000 0.256 737 T C 0.933 175.612 174.700 -0.034 0.000 1.131 737 T CA -0.149 61.933 62.100 -0.030 0.000 1.074 737 T CB 0.055 68.924 68.868 0.001 0.000 0.944 737 T HN -0.064 nan 8.240 nan 0.000 0.516 738 R N 1.425 121.891 120.500 -0.056 0.000 2.583 738 R HA 0.546 4.886 4.340 0.001 0.000 0.268 738 R C -0.107 176.151 176.300 -0.070 0.000 1.101 738 R CA -0.618 55.461 56.100 -0.036 0.000 1.180 738 R CB 0.351 30.644 30.300 -0.011 0.000 1.128 738 R HN 0.008 nan 8.270 nan 0.000 0.568 739 K N 1.835 122.219 120.400 -0.026 0.000 2.292 739 K HA 0.122 4.443 4.320 0.001 0.000 0.257 739 K C 0.216 176.829 176.600 0.021 0.000 0.940 739 K CA -0.431 55.842 56.287 -0.023 0.000 0.811 739 K CB 0.760 33.278 32.500 0.031 0.000 1.120 739 K HN 0.462 nan 8.250 nan 0.000 0.428 740 Y N 0.958 121.304 120.300 0.076 0.000 2.332 740 Y HA -0.295 4.255 4.550 0.000 0.000 0.283 740 Y C 2.147 178.079 175.900 0.052 0.000 1.186 740 Y CA 2.393 60.536 58.100 0.071 0.000 1.266 740 Y CB -0.549 37.935 38.460 0.040 0.000 0.973 740 Y HN 0.674 nan 8.280 nan 0.000 0.548 741 T N -3.681 110.982 114.554 0.183 0.000 3.085 741 T HA -0.034 4.316 4.350 0.001 0.000 0.263 741 T C 1.302 176.054 174.700 0.087 0.000 1.127 741 T CA 1.196 63.364 62.100 0.113 0.000 1.103 741 T CB -0.060 68.858 68.868 0.082 0.000 0.921 741 T HN 0.459 nan 8.240 nan 0.000 0.510 742 E N 0.978 121.237 120.200 0.097 0.000 2.290 742 E HA 0.111 4.461 4.350 0.001 0.000 0.197 742 E C 2.383 179.037 176.600 0.090 0.000 0.948 742 E CA 0.630 57.084 56.400 0.091 0.000 0.895 742 E CB 0.212 29.979 29.700 0.113 0.000 0.865 742 E HN 0.482 nan 8.360 nan 0.000 0.486 743 V N -0.049 119.943 119.914 0.130 0.000 2.535 743 V HA -0.043 4.077 4.120 0.001 0.000 0.246 743 V C 2.171 178.320 176.094 0.093 0.000 1.045 743 V CA 1.113 63.498 62.300 0.142 0.000 1.058 743 V CB -0.261 31.705 31.823 0.239 0.000 0.689 743 V HN -0.046 nan 8.190 nan 0.000 0.461 744 K N 2.344 122.816 120.400 0.120 0.000 2.000 744 K HA -0.113 4.207 4.320 0.001 0.000 0.218 744 K C 0.339 176.950 176.600 0.017 0.000 1.053 744 K CA 2.846 59.182 56.287 0.081 0.000 0.946 744 K CB -1.627 30.918 32.500 0.075 0.000 0.723 744 K HN 0.557 nan 8.250 nan 0.000 0.446 745 P HA -0.028 nan 4.420 nan 0.000 0.217 745 P C 0.939 178.178 177.300 -0.102 0.000 1.154 745 P CA 1.692 64.767 63.100 -0.043 0.000 0.841 745 P CB -0.055 31.626 31.700 -0.032 0.000 0.790 746 A N 0.567 123.273 122.820 -0.189 0.000 1.948 746 A HA -0.154 4.166 4.320 0.001 0.000 0.220 746 A C 2.430 179.806 177.584 -0.347 0.000 1.177 746 A CA 1.545 53.344 52.037 -0.398 0.000 0.636 746 A CB -1.647 16.828 19.000 -0.875 0.000 0.815 746 A HN 0.151 nan 8.150 nan 0.000 0.449 747 L N -1.063 120.035 121.223 -0.208 0.000 2.179 747 L HA -0.120 4.220 4.340 0.001 0.000 0.208 747 L C 2.547 179.394 176.870 -0.039 0.000 1.096 747 L CA 1.517 56.309 54.840 -0.080 0.000 0.779 747 L CB -0.366 41.716 42.059 0.040 0.000 0.922 747 L HN 0.509 nan 8.230 nan 0.000 0.443 748 K N 0.986 121.363 120.400 -0.040 0.000 2.009 748 K HA -0.150 4.171 4.320 0.001 0.000 0.210 748 K C 0.765 177.347 176.600 -0.030 0.000 1.049 748 K CA 1.077 57.350 56.287 -0.023 0.000 0.929 748 K CB -0.112 32.374 32.500 -0.023 0.000 0.714 748 K HN 0.371 nan 8.250 nan 0.000 0.440 752 D N 2.111 122.507 120.400 -0.007 0.000 2.077 752 D HA -0.070 4.570 4.640 0.001 0.000 0.196 752 D C 2.139 178.435 176.300 -0.007 0.000 0.986 752 D CA 1.935 55.930 54.000 -0.008 0.000 0.829 752 D CB -0.246 40.547 40.800 -0.010 0.000 0.983 752 D HN 0.503 nan 8.370 nan 0.000 0.453 753 A N 0.979 123.796 122.820 -0.006 0.000 2.093 753 A HA -0.135 4.186 4.320 0.001 0.000 0.222 753 A C 2.187 179.770 177.584 -0.002 0.000 1.162 753 A CA 2.292 54.328 52.037 -0.003 0.000 0.655 753 A CB -0.433 18.567 19.000 0.001 0.000 0.805 753 A HN 0.289 nan 8.150 nan 0.000 0.461 754 A N -0.460 122.358 122.820 -0.004 0.000 1.901 754 A HA 0.077 4.398 4.320 0.001 0.000 0.210 754 A C 2.006 179.581 177.584 -0.016 0.000 1.208 754 A CA 1.147 53.178 52.037 -0.009 0.000 0.644 754 A CB -0.268 18.727 19.000 -0.010 0.000 0.863 754 A HN 0.461 nan 8.150 nan 0.000 0.454 755 K N -0.238 120.154 120.400 -0.014 0.000 2.103 755 K HA -0.167 4.153 4.320 0.001 0.000 0.207 755 K C 1.881 178.473 176.600 -0.014 0.000 1.048 755 K CA 1.466 57.743 56.287 -0.016 0.000 0.930 755 K CB -0.500 31.992 32.500 -0.013 0.000 0.716 755 K HN 0.405 nan 8.250 nan 0.000 0.444 756 L N 1.664 122.880 121.223 -0.010 0.000 1.943 756 L HA -0.186 4.154 4.340 0.001 0.000 0.215 756 L C 1.865 178.730 176.870 -0.009 0.000 1.074 756 L CA 1.796 56.631 54.840 -0.008 0.000 0.759 756 L CB -0.592 41.463 42.059 -0.006 0.000 0.888 756 L HN 0.078 nan 8.230 nan 0.000 0.433 757 I N -0.133 120.432 120.570 -0.008 0.000 2.657 757 I HA -0.220 3.950 4.170 0.001 0.000 0.261 757 I C 2.662 178.770 176.117 -0.014 0.000 1.212 757 I CA 1.129 62.424 61.300 -0.009 0.000 1.453 757 I CB -1.459 36.538 38.000 -0.006 0.000 1.092 757 I HN 0.436 nan 8.210 nan 0.000 0.452 758 R N 0.699 121.188 120.500 -0.018 0.000 2.119 758 R HA -0.081 4.259 4.340 0.001 0.000 0.222 758 R C 2.531 178.819 176.300 -0.020 0.000 1.088 758 R CA 1.387 57.473 56.100 -0.024 0.000 0.984 758 R CB -0.128 30.155 30.300 -0.029 0.000 0.884 758 R HN 0.486 nan 8.270 nan 0.000 0.447 759 S N 0.525 116.216 115.700 -0.015 0.000 2.400 759 S HA -0.170 4.301 4.470 0.001 0.000 0.232 759 S C 1.036 175.629 174.600 -0.011 0.000 1.025 759 S CA 0.532 58.725 58.200 -0.013 0.000 0.993 759 S CB -0.105 63.089 63.200 -0.010 0.000 0.808 759 S HN 0.156 nan 8.310 nan 0.000 0.478 760 Q N 0.000 119.794 119.800 -0.011 0.000 2.315 760 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 760 Q CA 0.000 55.797 55.803 -0.009 0.000 1.022 760 Q CB 0.000 28.733 28.738 -0.008 0.000 1.108 760 Q HN 0.000 nan 8.270 nan 0.000 0.481