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 3ad9_1_A DATA FIRST_RESID 1 DATA SEQUENCE SKPQRLSAAQ TAGARINRDE ALTLTVDGQQ LSAFRGDTVA SAMLANGLRS DATA SEQUENCE CGNSMYLDRP RGIFSAGVEE PNALITVGAR HQADINESML PATTVSVTDG DATA SEQUENCE LNATLLSGLG VLDPSEDPAY YDHVHVHTDV LVVGAGPAGL AAAREASRSG DATA SEQUENCE ARVMLLDERP EAGGTLREAS GEQIDGIDAA QWIDAVTEEL AAAEETTHLQ DATA SEQUENCE RTTVFGSYDA NYILAAQRRT VHLDGPSGQG VSRERIWHIR AKQVVLATAA DATA SEQUENCE HERPIVFENN DRPGIMLAGS VRSYLNRFGV RAGSKIAVAT TNDSVYPLVS DATA SEQUENCE ELAASGGVVA VIDARQNISA AAAQAVTDGV TVLTGSVVAN TEADASGELS DATA SEQUENCE AVLVATLDEQ RNLGEAQRFE ADVLAVSGGF NPVVHLHSQR QGKLNWDTSI DATA SEQUENCE HAFVPADAVA NQHLAGALTG LLDTASALST GAATGAAAAS AAGFEKIAEV DATA SEQUENCE PQALAVPAGE TRPVWLVPSL SGDDAVHYKF HFVDLQRDQT VADVLRATGA DATA SEQUENCE GMQSVEHIKR YTSISTANDQ GKTSGVAAIG VIAAVLGIEN PAQIGTTTFR DATA SEQUENCE APYTPVSFAA LAGRTRGELL DPARLTAMHP WHLAHGAKFE DVGQWKRPWY DATA SEQUENCE YPQDGESMDE AVYRECKAVR DSVGMLDAST LGKIEIRGKD AAEFLNRMYT DATA SEQUENCE NGYTKLKVGM GRYGVMCKAD GMIFDDGVTL RLAEDRFLMH TTTGGAADVL DATA SEQUENCE DWLEEWLQTE WPELDVTCTS VTEQLATVAV VGPRSRDVIA KLASSLDVSN DATA SEQUENCE DAFKFMAFQD VTLDSGIEAR ISRISFSGEL AFEIAIPAWH GLQVWEDVYA DATA SEQUENCE AGQEFNITPY GTETMHVLRA EKGFIIVGQD TDGTVTPQDA GMEWVVSKLK DATA SEQUENCE DFVGKRSFSR EDNVREDRKH LVSVLPVDSS LRLAEGAALV AADAVASEGV DATA SEQUENCE TPMEGWVTHA YNSPALGRTF GLALIKNGRN RIGEVLKTPV DGQLVDVQVS DATA SEQUENCE DLVLFDPEGS RRD 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.595 174.600 -0.009 0.000 1.055 1 S CA 0.000 58.199 58.200 -0.002 0.000 1.107 1 S CB 0.000 63.201 63.200 0.001 0.000 0.593 2 K N 2.256 122.649 120.400 -0.012 0.000 2.218 2 K HA 0.431 4.750 4.320 -0.003 0.000 0.276 2 K C -2.327 174.259 176.600 -0.023 0.000 1.022 2 K CA -1.722 54.552 56.287 -0.021 0.000 0.946 2 K CB 0.278 32.765 32.500 -0.021 0.000 1.000 2 K HN 0.285 nan 8.250 nan 0.000 0.468 3 P HA -0.076 nan 4.420 nan 0.000 0.271 3 P C -1.338 175.943 177.300 -0.031 0.000 1.233 3 P CA -0.041 63.032 63.100 -0.044 0.000 0.789 3 P CB 0.568 32.215 31.700 -0.088 0.000 0.951 4 Q N -1.456 118.335 119.800 -0.015 0.000 2.578 4 Q HA 0.544 4.882 4.340 -0.003 0.000 0.284 4 Q C -1.149 174.870 176.000 0.030 0.000 0.960 4 Q CA -1.253 54.553 55.803 0.005 0.000 0.809 4 Q CB 1.206 29.952 28.738 0.013 0.000 1.462 4 Q HN 0.146 nan 8.270 nan 0.000 0.392 5 R N 1.212 121.743 120.500 0.051 0.000 2.390 5 R HA 0.488 4.826 4.340 -0.003 0.000 0.291 5 R C -0.737 175.611 176.300 0.080 0.000 1.070 5 R CA -0.092 56.063 56.100 0.092 0.000 1.014 5 R CB 0.558 30.940 30.300 0.137 0.000 1.007 5 R HN 0.685 nan 8.270 nan 0.000 0.466 6 L N 2.167 123.439 121.223 0.081 0.000 2.469 6 L HA 0.355 4.693 4.340 -0.003 0.000 0.253 6 L C 0.452 177.357 176.870 0.059 0.000 1.143 6 L CA -0.752 54.124 54.840 0.061 0.000 0.804 6 L CB 1.201 43.293 42.059 0.056 0.000 1.214 6 L HN 0.865 nan 8.230 nan 0.000 0.476 7 S N 0.040 115.765 115.700 0.043 0.000 2.579 7 S HA 0.132 4.601 4.470 -0.003 0.000 0.275 7 S C 1.044 175.657 174.600 0.021 0.000 1.345 7 S CA -0.113 58.107 58.200 0.035 0.000 1.031 7 S CB 1.325 64.541 63.200 0.026 0.000 0.892 7 S HN 0.695 nan 8.310 nan 0.000 0.529 8 A N 2.863 125.687 122.820 0.007 0.000 1.927 8 A HA -0.011 4.307 4.320 -0.003 0.000 0.220 8 A C 2.435 180.010 177.584 -0.015 0.000 1.185 8 A CA 2.183 54.206 52.037 -0.023 0.000 0.639 8 A CB -1.715 17.260 19.000 -0.041 0.000 0.820 8 A HN 1.462 nan 8.150 nan 0.000 0.451 9 A N -0.826 121.991 122.820 -0.004 0.000 1.930 9 A HA -0.179 4.139 4.320 -0.003 0.000 0.217 9 A C 2.035 179.620 177.584 0.001 0.000 1.175 9 A CA 1.536 53.571 52.037 -0.003 0.000 0.627 9 A CB -0.475 18.526 19.000 0.001 0.000 0.815 9 A HN 0.691 nan 8.150 nan 0.000 0.443 10 Q N -0.629 119.176 119.800 0.007 0.000 2.451 10 Q HA -0.011 4.327 4.340 -0.003 0.000 0.206 10 Q C 0.774 176.781 176.000 0.012 0.000 0.947 10 Q CA 1.206 57.016 55.803 0.012 0.000 0.937 10 Q CB -0.015 28.734 28.738 0.019 0.000 1.025 10 Q HN 0.759 nan 8.270 nan 0.000 0.511 11 T N -3.208 111.351 114.554 0.007 0.000 3.380 11 T HA 0.581 4.929 4.350 -0.003 0.000 0.289 11 T C 0.208 174.901 174.700 -0.011 0.000 1.012 11 T CA -0.356 61.749 62.100 0.007 0.000 0.944 11 T CB 0.475 69.357 68.868 0.024 0.000 1.172 11 T HN 0.139 nan 8.240 nan 0.000 0.502 12 A N 0.154 122.964 122.820 -0.016 0.000 2.483 12 A HA 0.626 4.944 4.320 -0.003 0.000 0.238 12 A C 1.669 179.238 177.584 -0.024 0.000 1.070 12 A CA 0.530 52.552 52.037 -0.025 0.000 0.770 12 A CB -0.751 18.237 19.000 -0.021 0.000 1.008 12 A HN 1.628 nan 8.150 nan 0.000 0.497 13 G N 0.395 109.177 108.800 -0.030 0.000 2.308 13 G HA2 0.147 4.105 3.960 -0.003 0.000 0.221 13 G HA3 0.147 4.105 3.960 -0.003 0.000 0.221 13 G C 0.777 175.649 174.900 -0.046 0.000 1.032 13 G CA 0.417 45.498 45.100 -0.032 0.000 0.623 13 G HN 2.263 nan 8.290 nan 0.000 0.506 14 A N 0.833 123.628 122.820 -0.043 0.000 2.520 14 A HA 0.535 4.853 4.320 -0.003 0.000 0.235 14 A C 1.023 178.564 177.584 -0.072 0.000 1.065 14 A CA 0.434 52.436 52.037 -0.060 0.000 0.764 14 A CB 0.140 19.138 19.000 -0.004 0.000 1.002 14 A HN 0.425 nan 8.150 nan 0.000 0.502 15 R N 1.472 121.897 120.500 -0.125 0.000 4.680 15 R HA 0.220 4.559 4.340 -0.003 0.000 0.222 15 R C -0.397 175.895 176.300 -0.014 0.000 1.803 15 R CA 0.278 56.321 56.100 -0.096 0.000 1.560 15 R CB -1.315 28.882 30.300 -0.173 0.000 1.412 15 R HN 0.717 nan 8.270 nan 0.000 0.815 16 I N -2.658 117.927 120.570 0.025 0.000 2.828 16 I HA 0.450 4.619 4.170 -0.003 0.000 0.302 16 I C -0.490 175.630 176.117 0.006 0.000 1.101 16 I CA -1.300 60.057 61.300 0.095 0.000 1.031 16 I CB 2.298 40.410 38.000 0.187 0.000 1.231 16 I HN -0.224 nan 8.210 nan 0.000 0.427 17 N N 3.075 121.798 118.700 0.039 0.000 2.546 17 N HA 0.347 5.085 4.740 -0.003 0.000 0.238 17 N C 0.267 175.692 175.510 -0.142 0.000 0.984 17 N CA -0.464 52.571 53.050 -0.026 0.000 0.935 17 N CB 1.047 39.559 38.487 0.042 0.000 1.122 17 N HN 0.634 nan 8.380 nan 0.000 0.510 18 R N 1.262 121.530 120.500 -0.386 0.000 2.328 18 R HA 0.011 4.349 4.340 -0.003 0.000 0.207 18 R C -0.138 176.016 176.300 -0.242 0.000 1.056 18 R CA 0.695 56.322 56.100 -0.789 0.000 1.016 18 R CB 0.360 30.225 30.300 -0.725 0.000 0.872 18 R HN 0.507 nan 8.270 nan 0.000 0.471 19 D N 0.074 120.436 120.400 -0.064 0.000 2.339 19 D HA -0.032 4.606 4.640 -0.003 0.000 0.217 19 D C -0.125 176.234 176.300 0.099 0.000 1.050 19 D CA 0.562 54.578 54.000 0.026 0.000 0.856 19 D CB 0.433 41.237 40.800 0.006 0.000 0.922 19 D HN 0.213 nan 8.370 nan 0.000 0.518 20 E N 0.887 121.189 120.200 0.171 0.000 2.675 20 E HA 0.468 4.817 4.350 -0.003 0.000 0.236 20 E C -1.055 175.721 176.600 0.293 0.000 1.059 20 E CA -0.469 56.044 56.400 0.188 0.000 0.775 20 E CB 0.782 30.559 29.700 0.129 0.000 1.356 20 E HN -0.042 nan 8.360 nan 0.000 0.403 21 A N 4.096 127.062 122.820 0.244 0.000 2.371 21 A HA 0.619 4.937 4.320 -0.003 0.000 0.257 21 A C -0.551 177.037 177.584 0.007 0.000 1.089 21 A CA -0.125 51.968 52.037 0.094 0.000 0.794 21 A CB 0.433 19.456 19.000 0.039 0.000 1.029 21 A HN 0.656 nan 8.150 nan 0.000 0.488 22 L N 0.032 121.205 121.223 -0.083 0.000 2.322 22 L HA 0.732 5.070 4.340 -0.003 0.000 0.252 22 L C 0.005 176.824 176.870 -0.085 0.000 1.055 22 L CA -0.701 54.112 54.840 -0.045 0.000 0.849 22 L CB 2.493 44.544 42.059 -0.013 0.000 1.446 22 L HN 0.726 nan 8.230 nan 0.000 0.416 23 T N 1.270 115.791 114.554 -0.054 0.000 2.909 23 T HA 0.808 5.156 4.350 -0.003 0.000 0.299 23 T C -1.280 173.394 174.700 -0.044 0.000 1.073 23 T CA -0.425 61.639 62.100 -0.060 0.000 0.999 23 T CB 1.361 70.201 68.868 -0.045 0.000 1.098 23 T HN 0.571 nan 8.240 nan 0.000 0.477 24 L N 0.626 121.820 121.223 -0.048 0.000 2.510 24 L HA 0.968 5.306 4.340 -0.003 0.000 0.252 24 L C -1.118 175.729 176.870 -0.038 0.000 1.091 24 L CA -1.062 53.757 54.840 -0.036 0.000 0.888 24 L CB 1.947 43.985 42.059 -0.034 0.000 1.507 24 L HN 0.508 nan 8.230 nan 0.000 0.407 25 T N 0.601 115.136 114.554 -0.033 0.000 2.881 25 T HA 0.678 5.027 4.350 -0.003 0.000 0.290 25 T C -0.953 173.727 174.700 -0.034 0.000 1.000 25 T CA -0.450 61.630 62.100 -0.033 0.000 0.978 25 T CB 1.990 70.842 68.868 -0.027 0.000 0.997 25 T HN 0.468 nan 8.240 nan 0.000 0.443 26 V N 2.942 122.834 119.914 -0.038 0.000 2.444 26 V HA 0.330 4.449 4.120 -0.003 0.000 0.294 26 V C -0.401 175.671 176.094 -0.036 0.000 1.022 26 V CA -0.866 61.411 62.300 -0.038 0.000 0.850 26 V CB 1.444 33.240 31.823 -0.045 0.000 0.992 26 V HN 0.999 nan 8.190 nan 0.000 0.426 27 D N 4.462 124.841 120.400 -0.034 0.000 2.704 27 D HA -0.169 4.470 4.640 -0.003 0.000 0.232 27 D C 1.321 177.604 176.300 -0.029 0.000 1.183 27 D CA 1.892 55.873 54.000 -0.032 0.000 0.647 27 D CB -0.975 39.804 40.800 -0.034 0.000 1.013 27 D HN 1.408 nan 8.370 nan 0.000 0.415 28 G N -0.350 108.434 108.800 -0.027 0.000 2.155 28 G HA2 -0.373 3.586 3.960 -0.003 0.000 0.257 28 G HA3 -0.373 3.586 3.960 -0.003 0.000 0.257 28 G C 0.174 175.058 174.900 -0.026 0.000 0.983 28 G CA 0.675 45.761 45.100 -0.024 0.000 0.676 28 G HN 0.692 nan 8.290 nan 0.000 0.528 29 Q N -0.195 119.587 119.800 -0.029 0.000 2.337 29 Q HA 0.569 4.907 4.340 -0.003 0.000 0.266 29 Q C -0.174 175.805 176.000 -0.035 0.000 1.023 29 Q CA -0.756 55.028 55.803 -0.031 0.000 0.829 29 Q CB 1.084 29.802 28.738 -0.034 0.000 1.306 29 Q HN 0.413 nan 8.270 nan 0.000 0.449 30 Q N 4.318 124.097 119.800 -0.035 0.000 2.243 30 Q HA 0.485 4.824 4.340 -0.003 0.000 0.252 30 Q C -1.440 174.531 176.000 -0.048 0.000 0.909 30 Q CA -0.370 55.410 55.803 -0.039 0.000 0.922 30 Q CB 0.842 29.559 28.738 -0.034 0.000 1.215 30 Q HN 0.632 nan 8.270 nan 0.000 0.427 31 L N 1.889 123.078 121.223 -0.057 0.000 2.354 31 L HA 0.488 4.826 4.340 -0.003 0.000 0.269 31 L C -0.152 176.662 176.870 -0.094 0.000 1.005 31 L CA -0.985 53.812 54.840 -0.072 0.000 0.819 31 L CB 2.161 44.175 42.059 -0.075 0.000 1.311 31 L HN 0.571 nan 8.230 nan 0.000 0.423 32 S N 0.586 116.214 115.700 -0.120 0.000 2.586 32 S HA 0.812 5.281 4.470 -0.003 0.000 0.274 32 S C -0.210 174.239 174.600 -0.251 0.000 1.281 32 S CA -0.210 57.876 58.200 -0.189 0.000 1.035 32 S CB 1.277 64.353 63.200 -0.206 0.000 0.962 32 S HN 0.726 nan 8.310 nan 0.000 0.512 33 A N 2.332 124.938 122.820 -0.357 0.000 2.557 33 A HA 0.848 5.167 4.320 -0.003 0.000 0.292 33 A C -2.006 175.257 177.584 -0.535 0.000 1.139 33 A CA -0.618 51.214 52.037 -0.341 0.000 0.665 33 A CB 0.752 19.674 19.000 -0.128 0.000 1.285 33 A HN 0.605 nan 8.150 nan 0.000 0.433 34 F N -0.326 119.657 119.950 0.055 0.000 2.588 34 F HA 0.722 5.247 4.527 -0.003 0.000 0.314 34 F C 0.413 176.261 175.800 0.079 0.000 1.069 34 F CA -0.670 57.369 58.000 0.064 0.000 0.931 34 F CB 1.790 40.834 39.000 0.073 0.000 1.260 34 F HN 0.660 nan 8.300 nan 0.000 0.465 35 R N 0.799 121.466 120.500 0.279 0.000 2.538 35 R HA 0.425 4.763 4.340 -0.003 0.000 0.282 35 R C 0.887 177.312 176.300 0.209 0.000 1.009 35 R CA 1.412 57.628 56.100 0.194 0.000 1.063 35 R CB -0.231 30.159 30.300 0.150 0.000 0.945 35 R HN 0.916 nan 8.270 nan 0.000 0.414 36 G N 2.825 111.747 108.800 0.203 0.000 2.339 36 G HA2 -0.221 3.737 3.960 -0.003 0.000 0.209 36 G HA3 -0.221 3.737 3.960 -0.003 0.000 0.209 36 G C -0.376 174.737 174.900 0.355 0.000 1.015 36 G CA -0.019 45.219 45.100 0.231 0.000 0.635 36 G HN 0.651 nan 8.290 nan 0.000 0.499 37 D N 2.377 122.965 120.400 0.312 0.000 2.449 37 D HA 0.443 5.081 4.640 -0.003 0.000 0.236 37 D C 1.297 177.669 176.300 0.120 0.000 1.149 37 D CA 1.365 55.495 54.000 0.217 0.000 0.878 37 D CB 1.153 42.016 40.800 0.105 0.000 1.198 37 D HN 0.578 nan 8.370 nan 0.000 0.446 38 T N -2.180 112.344 114.554 -0.051 0.000 2.897 38 T HA 0.292 4.640 4.350 -0.003 0.000 0.278 38 T C 1.508 176.164 174.700 -0.074 0.000 0.981 38 T CA -0.896 61.186 62.100 -0.031 0.000 0.973 38 T CB 0.823 69.662 68.868 -0.048 0.000 1.092 38 T HN 0.036 nan 8.240 nan 0.000 0.543 39 V N 1.141 121.030 119.914 -0.042 0.000 2.343 39 V HA -0.089 4.029 4.120 -0.003 0.000 0.247 39 V C 3.087 179.126 176.094 -0.091 0.000 1.051 39 V CA 2.241 64.508 62.300 -0.054 0.000 1.036 39 V CB -1.645 30.159 31.823 -0.033 0.000 0.654 39 V HN 1.064 nan 8.190 nan 0.000 0.451 40 A N 1.005 123.771 122.820 -0.089 0.000 1.865 40 A HA -0.260 4.058 4.320 -0.003 0.000 0.217 40 A C 2.591 180.029 177.584 -0.243 0.000 1.191 40 A CA 2.700 54.664 52.037 -0.121 0.000 0.623 40 A CB -1.026 17.966 19.000 -0.012 0.000 0.826 40 A HN 0.695 nan 8.150 nan 0.000 0.444 41 S N 0.115 115.634 115.700 -0.300 0.000 2.399 41 S HA 0.012 4.480 4.470 -0.003 0.000 0.231 41 S C 2.037 176.486 174.600 -0.251 0.000 1.022 41 S CA 1.486 59.434 58.200 -0.420 0.000 0.983 41 S CB -0.661 61.946 63.200 -0.988 0.000 0.803 41 S HN 0.962 nan 8.310 nan 0.000 0.480 42 A N 1.813 124.523 122.820 -0.184 0.000 1.929 42 A HA 0.174 4.492 4.320 -0.003 0.000 0.216 42 A C 2.333 179.843 177.584 -0.123 0.000 1.176 42 A CA 1.385 53.351 52.037 -0.118 0.000 0.628 42 A CB -0.717 18.229 19.000 -0.090 0.000 0.816 42 A HN 0.562 nan 8.150 nan 0.000 0.444 43 M N -0.437 119.080 119.600 -0.138 0.000 2.065 43 M HA -0.173 4.305 4.480 -0.003 0.000 0.259 43 M C 2.135 178.347 176.300 -0.146 0.000 1.069 43 M CA 1.712 56.934 55.300 -0.129 0.000 1.110 43 M CB -0.626 31.898 32.600 -0.127 0.000 1.328 43 M HN 0.386 nan 8.290 nan 0.000 0.405 44 L N -0.292 120.802 121.223 -0.215 0.000 2.042 44 L HA -0.200 4.139 4.340 -0.003 0.000 0.210 44 L C 2.724 179.514 176.870 -0.133 0.000 1.076 44 L CA 1.258 55.965 54.840 -0.222 0.000 0.749 44 L CB -1.001 40.819 42.059 -0.399 0.000 0.893 44 L HN 0.341 nan 8.230 nan 0.000 0.432 45 A N -0.622 122.136 122.820 -0.105 0.000 2.125 45 A HA -0.149 4.169 4.320 -0.003 0.000 0.219 45 A C 1.726 179.286 177.584 -0.041 0.000 1.156 45 A CA 1.392 53.407 52.037 -0.037 0.000 0.671 45 A CB -0.434 18.565 19.000 -0.002 0.000 0.794 45 A HN 0.518 nan 8.150 nan 0.000 0.459 46 N N -1.172 117.490 118.700 -0.064 0.000 2.234 46 N HA 0.220 4.958 4.740 -0.003 0.000 0.227 46 N C 0.772 176.250 175.510 -0.053 0.000 1.151 46 N CA 0.670 53.686 53.050 -0.057 0.000 0.865 46 N CB 0.721 39.168 38.487 -0.067 0.000 1.066 46 N HN 0.546 nan 8.380 nan 0.000 0.515 47 G N 1.179 109.945 108.800 -0.057 0.000 2.136 47 G HA2 -0.232 3.727 3.960 -0.003 0.000 0.242 47 G HA3 -0.232 3.727 3.960 -0.003 0.000 0.242 47 G C -0.169 174.696 174.900 -0.057 0.000 0.989 47 G CA -0.214 44.856 45.100 -0.050 0.000 0.682 47 G HN 0.236 nan 8.290 nan 0.000 0.522 48 L N 0.161 121.340 121.223 -0.074 0.000 2.298 48 L HA 0.526 4.864 4.340 -0.003 0.000 0.284 48 L C 1.550 178.364 176.870 -0.092 0.000 1.013 48 L CA -0.652 54.144 54.840 -0.074 0.000 0.824 48 L CB 1.377 43.392 42.059 -0.073 0.000 1.221 48 L HN 0.400 nan 8.230 nan 0.000 0.418 49 R N 0.361 120.814 120.500 -0.078 0.000 2.307 49 R HA 0.258 4.596 4.340 -0.003 0.000 0.200 49 R C 0.275 176.538 176.300 -0.063 0.000 0.893 49 R CA -0.214 55.836 56.100 -0.084 0.000 1.042 49 R CB 0.363 30.620 30.300 -0.071 0.000 1.059 49 R HN 0.415 nan 8.270 nan 0.000 0.530 50 S N 0.887 116.555 115.700 -0.054 0.000 2.610 50 S HA 0.395 4.864 4.470 -0.003 0.000 0.273 50 S C 0.396 174.966 174.600 -0.050 0.000 1.274 50 S CA -0.642 57.530 58.200 -0.046 0.000 1.023 50 S CB 1.357 64.532 63.200 -0.043 0.000 0.962 50 S HN 0.499 nan 8.310 nan 0.000 0.523 51 C N 0.696 119.967 119.300 -0.048 0.000 3.459 51 C HA 0.963 5.421 4.460 -0.003 0.000 0.358 51 C C 0.980 175.938 174.990 -0.054 0.000 2.992 51 C CA -0.892 58.096 59.018 -0.049 0.000 1.568 51 C CB -0.367 27.347 27.740 -0.044 0.000 3.388 51 C HN 0.809 nan 8.230 nan 0.000 0.515 52 G N 1.824 110.589 108.800 -0.058 0.000 2.441 52 G HA2 0.397 4.355 3.960 -0.003 0.000 0.243 52 G HA3 0.397 4.355 3.960 -0.003 0.000 0.243 52 G C -0.267 174.588 174.900 -0.075 0.000 1.281 52 G CA 0.068 45.130 45.100 -0.064 0.000 0.854 52 G HN 0.784 nan 8.290 nan 0.000 0.560 53 N N -0.219 118.438 118.700 -0.072 0.000 2.273 53 N HA 0.080 4.818 4.740 -0.003 0.000 0.227 53 N C 1.102 176.551 175.510 -0.102 0.000 1.292 53 N CA 0.276 53.279 53.050 -0.079 0.000 0.875 53 N CB 0.508 38.958 38.487 -0.062 0.000 1.105 53 N HN 0.674 nan 8.380 nan 0.000 0.434 54 S N -0.160 115.473 115.700 -0.111 0.000 2.593 54 S HA 0.039 4.507 4.470 -0.003 0.000 0.269 54 S C 1.294 175.813 174.600 -0.135 0.000 1.334 54 S CA -0.582 57.538 58.200 -0.133 0.000 1.015 54 S CB 0.512 63.628 63.200 -0.141 0.000 0.912 54 S HN 0.664 nan 8.310 nan 0.000 0.541 55 M N 1.340 120.813 119.600 -0.213 0.000 2.200 55 M HA 0.009 4.487 4.480 -0.003 0.000 0.265 55 M C 0.480 176.525 176.300 -0.425 0.000 1.066 55 M CA 1.595 56.658 55.300 -0.394 0.000 1.127 55 M CB -0.135 32.097 32.600 -0.614 0.000 1.379 55 M HN 0.847 nan 8.290 nan 0.000 0.420 56 Y N -0.931 119.378 120.300 0.013 0.000 2.664 56 Y HA 0.279 4.827 4.550 -0.003 0.000 0.278 56 Y C 1.606 177.532 175.900 0.044 0.000 1.130 56 Y CA 0.258 58.375 58.100 0.027 0.000 1.260 56 Y CB 0.027 38.508 38.460 0.036 0.000 1.369 56 Y HN 0.035 nan 8.280 nan 0.000 0.499 57 L N -0.064 121.292 121.223 0.222 0.000 2.558 57 L HA 0.052 4.390 4.340 -0.003 0.000 0.225 57 L C 0.216 177.148 176.870 0.102 0.000 1.128 57 L CA 0.745 55.693 54.840 0.181 0.000 0.868 57 L CB -0.175 42.040 42.059 0.260 0.000 1.006 57 L HN 0.153 nan 8.230 nan 0.000 0.454 58 D N 1.067 121.495 120.400 0.047 0.000 2.772 58 D HA -0.199 4.440 4.640 -0.003 0.000 0.233 58 D C 0.421 176.716 176.300 -0.007 0.000 1.143 58 D CA 0.607 54.609 54.000 0.004 0.000 0.700 58 D CB -0.302 40.506 40.800 0.014 0.000 1.076 58 D HN 0.285 nan 8.370 nan 0.000 0.430 59 R N 0.023 120.510 120.500 -0.021 0.000 2.528 59 R HA 0.528 4.867 4.340 -0.003 0.000 0.271 59 R C -2.236 174.017 176.300 -0.078 0.000 1.056 59 R CA -1.660 54.412 56.100 -0.046 0.000 1.117 59 R CB 0.485 30.748 30.300 -0.061 0.000 1.085 59 R HN 0.053 nan 8.270 nan 0.000 0.530 60 P HA 0.013 nan 4.420 nan 0.000 0.264 60 P C -0.828 176.414 177.300 -0.097 0.000 1.193 60 P CA 0.470 63.526 63.100 -0.073 0.000 0.763 60 P CB 0.655 32.321 31.700 -0.058 0.000 0.810 61 R N 1.854 122.301 120.500 -0.089 0.000 2.771 61 R HA 0.785 5.123 4.340 -0.003 0.000 0.274 61 R C 0.065 176.332 176.300 -0.054 0.000 0.987 61 R CA -0.742 55.300 56.100 -0.097 0.000 0.908 61 R CB 2.497 32.720 30.300 -0.129 0.000 1.213 61 R HN 0.617 nan 8.270 nan 0.000 0.468 62 G N 0.586 109.374 108.800 -0.019 0.000 2.816 62 G HA2 0.527 4.486 3.960 -0.003 0.000 0.288 62 G HA3 0.527 4.486 3.960 -0.003 0.000 0.288 62 G C -0.408 174.522 174.900 0.049 0.000 1.334 62 G CA -0.889 44.213 45.100 0.003 0.000 0.978 62 G HN 0.403 nan 8.290 nan 0.000 0.493 63 I N 0.319 120.907 120.570 0.029 0.000 2.752 63 I HA -0.012 4.156 4.170 -0.003 0.000 0.289 63 I C 0.639 176.854 176.117 0.162 0.000 1.197 63 I CA 0.417 61.757 61.300 0.066 0.000 1.432 63 I CB 0.506 38.493 38.000 -0.022 0.000 1.359 63 I HN 0.487 nan 8.210 nan 0.000 0.571 64 F N 4.954 124.921 119.950 0.029 0.000 2.680 64 F HA 0.133 4.658 4.527 -0.003 0.000 0.290 64 F C 1.166 177.016 175.800 0.084 0.000 1.114 64 F CA 0.354 58.376 58.000 0.037 0.000 1.333 64 F CB 0.413 39.416 39.000 0.005 0.000 1.091 64 F HN 0.556 nan 8.300 nan 0.000 0.606 65 S N -0.691 115.101 115.700 0.153 0.000 2.840 65 S HA 0.750 5.218 4.470 -0.003 0.000 0.307 65 S C -0.311 174.375 174.600 0.144 0.000 1.180 65 S CA -0.163 58.081 58.200 0.073 0.000 0.846 65 S CB 1.172 64.434 63.200 0.102 0.000 1.233 65 S HN 0.253 nan 8.310 nan 0.000 0.548 66 A N -0.368 122.458 122.820 0.009 0.000 2.643 66 A HA 0.802 5.120 4.320 -0.003 0.000 0.295 66 A C 0.524 178.120 177.584 0.020 0.000 1.065 66 A CA 0.124 52.119 52.037 -0.070 0.000 0.986 66 A CB -0.567 18.160 19.000 -0.456 0.000 1.212 66 A HN 1.574 nan 8.150 nan 0.000 0.516 67 G N -1.816 107.011 108.800 0.045 0.000 2.706 67 G HA2 0.400 4.359 3.960 -0.003 0.000 0.307 67 G HA3 0.400 4.359 3.960 -0.003 0.000 0.307 67 G C 0.315 175.231 174.900 0.027 0.000 1.307 67 G CA 0.300 45.431 45.100 0.051 0.000 0.790 67 G HN 0.188 nan 8.290 nan 0.000 0.503 68 V N 1.293 121.218 119.914 0.020 0.000 3.026 68 V HA -0.044 4.074 4.120 -0.003 0.000 0.265 68 V C 2.501 178.536 176.094 -0.098 0.000 1.121 68 V CA 2.421 64.710 62.300 -0.019 0.000 1.142 68 V CB -0.290 31.552 31.823 0.031 0.000 0.730 68 V HN 0.768 nan 8.190 nan 0.000 0.503 69 E N 0.391 120.491 120.200 -0.167 0.000 2.481 69 E HA -0.120 4.228 4.350 -0.003 0.000 0.195 69 E C 0.884 177.471 176.600 -0.022 0.000 1.047 69 E CA -0.095 56.190 56.400 -0.193 0.000 0.867 69 E CB -0.189 29.269 29.700 -0.404 0.000 0.858 69 E HN 0.593 nan 8.360 nan 0.000 0.513 70 E N 3.234 123.446 120.200 0.020 0.000 2.820 70 E HA -0.083 4.265 4.350 -0.003 0.000 0.251 70 E C -1.654 174.966 176.600 0.035 0.000 0.944 70 E CA -0.692 55.755 56.400 0.078 0.000 0.955 70 E CB 0.990 30.730 29.700 0.067 0.000 0.904 70 E HN 0.041 nan 8.360 nan 0.000 0.513 71 P HA 0.111 nan 4.420 nan 0.000 0.244 71 P C 0.033 177.286 177.300 -0.078 0.000 1.191 71 P CA 0.282 63.345 63.100 -0.062 0.000 0.829 71 P CB 0.672 32.268 31.700 -0.173 0.000 1.008 72 N N 0.805 119.475 118.700 -0.050 0.000 2.420 72 N HA 0.082 4.821 4.740 -0.003 0.000 0.185 72 N C 1.027 176.511 175.510 -0.043 0.000 1.033 72 N CA 0.591 53.599 53.050 -0.070 0.000 0.879 72 N CB -0.703 37.747 38.487 -0.063 0.000 1.071 72 N HN -0.023 nan 8.380 nan 0.000 0.437 73 A N 2.277 125.092 122.820 -0.009 0.000 3.056 73 A HA 0.380 4.698 4.320 -0.003 0.000 0.274 73 A C 0.012 177.585 177.584 -0.018 0.000 1.661 73 A CA -0.213 51.816 52.037 -0.015 0.000 1.363 73 A CB -1.054 17.946 19.000 0.001 0.000 1.139 73 A HN 0.160 nan 8.150 nan 0.000 0.598 74 L N 2.223 123.426 121.223 -0.033 0.000 2.399 74 L HA 0.652 4.990 4.340 -0.003 0.000 0.266 74 L C 0.183 177.032 176.870 -0.036 0.000 1.114 74 L CA -0.477 54.343 54.840 -0.033 0.000 0.804 74 L CB 1.149 43.182 42.059 -0.044 0.000 1.146 74 L HN 0.660 nan 8.230 nan 0.000 0.451 75 I N -2.114 118.437 120.570 -0.031 0.000 2.969 75 I HA 0.490 4.658 4.170 -0.003 0.000 0.307 75 I C -0.573 175.525 176.117 -0.032 0.000 1.149 75 I CA -0.622 60.659 61.300 -0.032 0.000 1.008 75 I CB 2.320 40.304 38.000 -0.027 0.000 1.232 75 I HN 0.292 nan 8.210 nan 0.000 0.435 76 T N 3.466 117.999 114.554 -0.034 0.000 2.771 76 T HA 0.425 4.773 4.350 -0.003 0.000 0.291 76 T C -0.136 174.548 174.700 -0.028 0.000 0.954 76 T CA -0.304 61.776 62.100 -0.032 0.000 1.045 76 T CB 1.277 70.124 68.868 -0.035 0.000 0.917 76 T HN 0.371 nan 8.240 nan 0.000 0.484 77 V N 3.823 123.722 119.914 -0.024 0.000 2.383 77 V HA 0.519 4.637 4.120 -0.003 0.000 0.275 77 V C 1.105 177.181 176.094 -0.029 0.000 1.036 77 V CA -0.730 61.556 62.300 -0.022 0.000 0.889 77 V CB 1.280 33.094 31.823 -0.014 0.000 0.985 77 V HN 1.019 nan 8.190 nan 0.000 0.459 78 G N 3.506 112.288 108.800 -0.031 0.000 2.569 78 G HA2 0.465 4.423 3.960 -0.003 0.000 0.249 78 G HA3 0.465 4.423 3.960 -0.003 0.000 0.249 78 G C 0.413 175.282 174.900 -0.052 0.000 1.216 78 G CA 0.036 45.114 45.100 -0.036 0.000 0.845 78 G HN 1.190 nan 8.290 nan 0.000 0.568 79 A N 1.477 124.260 122.820 -0.061 0.000 2.598 79 A HA 0.130 4.448 4.320 -0.003 0.000 0.239 79 A C 1.587 179.092 177.584 -0.131 0.000 1.032 79 A CA 0.068 52.041 52.037 -0.107 0.000 0.760 79 A CB 0.205 19.154 19.000 -0.085 0.000 0.946 79 A HN 0.708 nan 8.150 nan 0.000 0.512 80 R N 1.395 121.752 120.500 -0.239 0.000 2.299 80 R HA 0.086 4.424 4.340 -0.003 0.000 0.197 80 R C -0.154 176.088 176.300 -0.097 0.000 0.971 80 R CA 1.092 57.094 56.100 -0.163 0.000 1.030 80 R CB -0.539 29.704 30.300 -0.095 0.000 0.932 80 R HN 1.046 nan 8.270 nan 0.000 0.477 81 H N -4.492 114.578 119.070 0.001 0.000 2.894 81 H HA 0.197 4.751 4.556 -0.003 0.000 0.282 81 H C 0.124 175.452 175.328 0.000 0.000 1.448 81 H CA -0.829 55.217 56.048 -0.003 0.000 1.158 81 H CB 0.104 29.861 29.762 -0.008 0.000 1.818 81 H HN -0.396 nan 8.280 nan 0.000 0.493 82 Q N 0.027 119.962 119.800 0.225 0.000 2.439 82 Q HA 0.075 4.413 4.340 -0.003 0.000 0.211 82 Q C 0.854 176.954 176.000 0.167 0.000 0.978 82 Q CA 1.264 57.146 55.803 0.133 0.000 0.897 82 Q CB -0.058 28.727 28.738 0.078 0.000 0.956 82 Q HN 0.656 nan 8.270 nan 0.000 0.483 83 A N 0.636 123.685 122.820 0.381 0.000 2.797 83 A HA 0.206 4.524 4.320 -0.003 0.000 0.287 83 A C -0.498 177.193 177.584 0.179 0.000 1.369 83 A CA -0.238 51.967 52.037 0.279 0.000 0.968 83 A CB 0.066 19.191 19.000 0.209 0.000 1.069 83 A HN 0.005 nan 8.150 nan 0.000 0.571 84 D N -0.605 119.794 120.400 -0.003 0.000 2.583 84 D HA 0.659 5.297 4.640 -0.003 0.000 0.248 84 D C -0.565 175.697 176.300 -0.062 0.000 1.209 84 D CA -0.247 53.669 54.000 -0.140 0.000 0.848 84 D CB 1.787 42.290 40.800 -0.495 0.000 1.431 84 D HN 0.285 nan 8.370 nan 0.000 0.436 85 I N -1.590 118.955 120.570 -0.042 0.000 3.322 85 I HA 0.642 4.810 4.170 -0.003 0.000 0.313 85 I C -0.554 175.542 176.117 -0.035 0.000 1.129 85 I CA -1.097 60.188 61.300 -0.024 0.000 0.963 85 I CB 1.508 39.511 38.000 0.004 0.000 1.273 85 I HN 0.042 nan 8.210 nan 0.000 0.473 86 N N 2.206 120.889 118.700 -0.029 0.000 2.513 86 N HA 0.220 4.958 4.740 -0.003 0.000 0.268 86 N C -0.961 174.532 175.510 -0.027 0.000 1.180 86 N CA 0.026 53.057 53.050 -0.031 0.000 0.948 86 N CB 0.817 39.285 38.487 -0.030 0.000 1.083 86 N HN 0.665 nan 8.380 nan 0.000 0.455 87 E N 0.407 120.591 120.200 -0.026 0.000 2.224 87 E HA 0.342 4.690 4.350 -0.003 0.000 0.265 87 E C -1.172 175.410 176.600 -0.031 0.000 0.878 87 E CA -0.468 55.918 56.400 -0.025 0.000 0.759 87 E CB 1.222 30.919 29.700 -0.006 0.000 1.164 87 E HN 0.404 nan 8.360 nan 0.000 0.414 88 S N 3.397 119.071 115.700 -0.044 0.000 2.745 88 S HA 0.427 4.896 4.470 -0.003 0.000 0.292 88 S C 0.236 174.808 174.600 -0.046 0.000 1.133 88 S CA -0.338 57.834 58.200 -0.046 0.000 0.998 88 S CB 0.638 63.805 63.200 -0.055 0.000 1.087 88 S HN 0.761 nan 8.310 nan 0.000 0.551 89 M N 0.606 120.178 119.600 -0.045 0.000 2.461 89 M HA -0.161 4.318 4.480 -0.003 0.000 0.203 89 M C -1.154 175.125 176.300 -0.034 0.000 0.428 89 M CA 0.680 55.954 55.300 -0.044 0.000 0.509 89 M CB -2.571 29.999 32.600 -0.050 0.000 1.851 89 M HN 0.453 nan 8.290 nan 0.000 0.834 90 L N 0.678 121.886 121.223 -0.026 0.000 2.343 90 L HA 0.537 4.875 4.340 -0.003 0.000 0.275 90 L C -1.775 175.089 176.870 -0.011 0.000 1.056 90 L CA -1.920 52.911 54.840 -0.014 0.000 0.804 90 L CB 1.266 43.322 42.059 -0.004 0.000 1.203 90 L HN -0.094 nan 8.230 nan 0.000 0.440 91 P HA 0.087 nan 4.420 nan 0.000 0.276 91 P C 0.054 177.362 177.300 0.013 0.000 1.243 91 P CA -0.196 62.906 63.100 0.004 0.000 0.768 91 P CB 1.300 33.006 31.700 0.010 0.000 0.856 92 A N 3.514 126.339 122.820 0.008 0.000 2.070 92 A HA -0.140 4.179 4.320 -0.003 0.000 0.220 92 A C 1.780 179.375 177.584 0.019 0.000 1.159 92 A CA 2.085 54.124 52.037 0.003 0.000 0.656 92 A CB -1.498 17.495 19.000 -0.012 0.000 0.800 92 A HN 0.568 nan 8.150 nan 0.000 0.453 93 T N -3.200 111.380 114.554 0.043 0.000 3.085 93 T HA -0.036 4.313 4.350 -0.003 0.000 0.263 93 T C 1.292 176.037 174.700 0.076 0.000 1.127 93 T CA 1.668 63.812 62.100 0.074 0.000 1.103 93 T CB -0.533 68.395 68.868 0.100 0.000 0.921 93 T HN 0.599 nan 8.240 nan 0.000 0.510 94 T N -1.395 113.195 114.554 0.060 0.000 3.091 94 T HA 0.423 4.771 4.350 -0.003 0.000 0.277 94 T C 0.155 174.895 174.700 0.066 0.000 0.996 94 T CA -0.452 61.691 62.100 0.072 0.000 0.897 94 T CB -0.025 68.880 68.868 0.062 0.000 1.109 94 T HN 0.152 nan 8.240 nan 0.000 0.534 95 V N 2.976 122.921 119.914 0.053 0.000 2.385 95 V HA 0.374 4.492 4.120 -0.003 0.000 0.269 95 V C 0.347 176.479 176.094 0.065 0.000 1.043 95 V CA -0.469 61.864 62.300 0.054 0.000 0.906 95 V CB 0.842 32.684 31.823 0.032 0.000 0.995 95 V HN 0.469 nan 8.190 nan 0.000 0.467 96 S N 4.351 120.107 115.700 0.093 0.000 2.531 96 S HA 0.234 4.703 4.470 -0.003 0.000 0.279 96 S C 0.155 174.811 174.600 0.093 0.000 1.305 96 S CA -0.455 57.813 58.200 0.113 0.000 1.058 96 S CB 1.151 64.443 63.200 0.154 0.000 0.899 96 S HN 0.485 nan 8.310 nan 0.000 0.493 97 V N 4.594 124.555 119.914 0.078 0.000 2.585 97 V HA 0.197 4.315 4.120 -0.003 0.000 0.296 97 V C 0.941 177.075 176.094 0.066 0.000 1.035 97 V CA 0.011 62.342 62.300 0.052 0.000 1.084 97 V CB 0.369 32.212 31.823 0.033 0.000 0.953 97 V HN 1.037 nan 8.190 nan 0.000 0.483 98 T N 0.733 115.316 114.554 0.048 0.000 2.932 98 T HA 0.435 4.783 4.350 -0.003 0.000 0.289 98 T C -0.565 174.151 174.700 0.027 0.000 1.039 98 T CA -0.926 61.201 62.100 0.045 0.000 1.024 98 T CB 1.702 70.597 68.868 0.046 0.000 1.090 98 T HN 0.526 nan 8.240 nan 0.000 0.496 99 D N 0.120 120.535 120.400 0.025 0.000 2.417 99 D HA 0.418 5.056 4.640 -0.003 0.000 0.250 99 D C 1.568 177.874 176.300 0.009 0.000 1.166 99 D CA 1.550 55.558 54.000 0.013 0.000 0.881 99 D CB 0.052 40.861 40.800 0.015 0.000 1.164 99 D HN 1.098 nan 8.370 nan 0.000 0.467 100 G N 3.145 111.944 108.800 -0.002 0.000 2.162 100 G HA2 -0.290 3.668 3.960 -0.003 0.000 0.260 100 G HA3 -0.290 3.668 3.960 -0.003 0.000 0.260 100 G C 0.532 175.429 174.900 -0.005 0.000 0.976 100 G CA 0.266 45.364 45.100 -0.003 0.000 0.655 100 G HN 0.620 nan 8.290 nan 0.000 0.533 101 L N 0.422 121.643 121.223 -0.004 0.000 2.559 101 L HA 0.391 4.729 4.340 -0.003 0.000 0.282 101 L C 0.371 177.231 176.870 -0.016 0.000 1.232 101 L CA 0.068 54.903 54.840 -0.008 0.000 0.885 101 L CB 0.430 42.487 42.059 -0.003 0.000 1.131 101 L HN 0.267 nan 8.230 nan 0.000 0.498 102 N N 3.495 122.184 118.700 -0.019 0.000 2.407 102 N HA 0.664 5.402 4.740 -0.003 0.000 0.277 102 N C -1.306 174.190 175.510 -0.024 0.000 0.995 102 N CA -0.212 52.825 53.050 -0.022 0.000 0.903 102 N CB 1.651 40.126 38.487 -0.022 0.000 1.218 102 N HN 0.712 nan 8.380 nan 0.000 0.487 103 A N 2.154 124.958 122.820 -0.026 0.000 2.365 103 A HA 0.708 5.026 4.320 -0.003 0.000 0.318 103 A C -0.697 176.868 177.584 -0.031 0.000 1.091 103 A CA -0.594 51.426 52.037 -0.028 0.000 0.763 103 A CB 1.056 20.039 19.000 -0.028 0.000 1.248 103 A HN 0.532 nan 8.150 nan 0.000 0.442 104 T N 2.706 117.242 114.554 -0.032 0.000 2.779 104 T HA 0.468 4.816 4.350 -0.003 0.000 0.280 104 T C -0.105 174.572 174.700 -0.038 0.000 0.987 104 T CA -0.219 61.861 62.100 -0.034 0.000 0.966 104 T CB 0.563 69.411 68.868 -0.033 0.000 0.933 104 T HN 0.463 nan 8.240 nan 0.000 0.442 105 L N 4.184 125.383 121.223 -0.040 0.000 2.477 105 L HA 0.292 4.631 4.340 -0.003 0.000 0.272 105 L C 0.178 177.019 176.870 -0.049 0.000 1.157 105 L CA -0.246 54.567 54.840 -0.044 0.000 0.889 105 L CB -0.006 42.026 42.059 -0.046 0.000 1.158 105 L HN 0.393 nan 8.230 nan 0.000 0.473 106 L N 2.560 123.751 121.223 -0.053 0.000 2.387 106 L HA 0.391 4.729 4.340 -0.003 0.000 0.266 106 L C 0.507 177.332 176.870 -0.075 0.000 1.059 106 L CA -0.341 54.462 54.840 -0.062 0.000 0.801 106 L CB 1.442 43.464 42.059 -0.061 0.000 1.223 106 L HN 0.530 nan 8.230 nan 0.000 0.456 107 S N 0.453 116.098 115.700 -0.091 0.000 2.272 107 S HA 0.401 4.870 4.470 -0.003 0.000 0.207 107 S C 0.716 175.224 174.600 -0.153 0.000 1.336 107 S CA 0.178 58.307 58.200 -0.118 0.000 1.259 107 S CB 0.817 63.947 63.200 -0.117 0.000 1.130 107 S HN 1.060 nan 8.310 nan 0.000 0.444 108 G N 0.918 109.640 108.800 -0.132 0.000 2.217 108 G HA2 -0.211 3.747 3.960 -0.003 0.000 0.246 108 G HA3 -0.211 3.747 3.960 -0.003 0.000 0.246 108 G C -0.332 174.497 174.900 -0.119 0.000 0.990 108 G CA -0.236 44.779 45.100 -0.141 0.000 0.627 108 G HN 0.496 nan 8.290 nan 0.000 0.522 109 L N 1.781 122.940 121.223 -0.108 0.000 2.349 109 L HA 0.778 5.116 4.340 -0.003 0.000 0.278 109 L C 0.874 177.704 176.870 -0.067 0.000 0.996 109 L CA -0.040 54.750 54.840 -0.083 0.000 0.825 109 L CB 1.352 43.361 42.059 -0.083 0.000 1.243 109 L HN 0.381 nan 8.230 nan 0.000 0.412 110 G N 3.298 112.061 108.800 -0.061 0.000 2.528 110 G HA2 0.549 4.507 3.960 -0.003 0.000 0.289 110 G HA3 0.549 4.507 3.960 -0.003 0.000 0.289 110 G C -1.225 173.641 174.900 -0.056 0.000 1.192 110 G CA -0.406 44.658 45.100 -0.060 0.000 0.921 110 G HN 0.416 nan 8.290 nan 0.000 0.512 111 V N 1.152 121.033 119.914 -0.055 0.000 2.444 111 V HA 0.323 4.441 4.120 -0.003 0.000 0.294 111 V C 0.093 176.153 176.094 -0.057 0.000 1.022 111 V CA -0.586 61.684 62.300 -0.051 0.000 0.850 111 V CB 1.371 33.169 31.823 -0.042 0.000 0.992 111 V HN 0.559 nan 8.190 nan 0.000 0.426 112 L N 3.492 124.677 121.223 -0.063 0.000 2.349 112 L HA 0.385 4.724 4.340 -0.003 0.000 0.275 112 L C 0.465 177.305 176.870 -0.050 0.000 1.115 112 L CA -0.223 54.575 54.840 -0.070 0.000 0.820 112 L CB 0.714 42.721 42.059 -0.086 0.000 1.135 112 L HN 0.594 nan 8.230 nan 0.000 0.445 113 D N 4.685 125.059 120.400 -0.044 0.000 2.371 113 D HA 0.087 4.725 4.640 -0.003 0.000 0.256 113 D C -1.514 174.772 176.300 -0.025 0.000 1.193 113 D CA -1.309 52.673 54.000 -0.030 0.000 0.881 113 D CB 1.680 42.465 40.800 -0.024 0.000 1.143 113 D HN 0.285 nan 8.370 nan 0.000 0.473 114 P HA 0.011 nan 4.420 nan 0.000 0.233 114 P C 0.049 177.347 177.300 -0.003 0.000 1.167 114 P CA 0.074 63.167 63.100 -0.012 0.000 0.770 114 P CB 0.260 31.954 31.700 -0.009 0.000 0.837 115 S N 0.889 116.588 115.700 -0.001 0.000 2.560 115 S HA 0.032 4.500 4.470 -0.003 0.000 0.284 115 S C 0.411 175.020 174.600 0.015 0.000 1.327 115 S CA -0.213 57.992 58.200 0.008 0.000 1.055 115 S CB 0.164 63.368 63.200 0.008 0.000 0.868 115 S HN 0.186 nan 8.310 nan 0.000 0.506 116 E N 1.618 121.832 120.200 0.024 0.000 2.384 116 E HA -0.007 4.341 4.350 -0.003 0.000 0.266 116 E C -0.477 176.154 176.600 0.051 0.000 1.012 116 E CA -0.234 56.188 56.400 0.036 0.000 0.901 116 E CB 0.444 30.168 29.700 0.039 0.000 0.967 116 E HN 0.417 nan 8.360 nan 0.000 0.435 117 D N 4.014 124.458 120.400 0.073 0.000 2.338 117 D HA 0.035 4.673 4.640 -0.003 0.000 0.255 117 D C -1.517 174.854 176.300 0.119 0.000 1.237 117 D CA -1.833 52.233 54.000 0.109 0.000 0.883 117 D CB 0.863 41.766 40.800 0.170 0.000 1.087 117 D HN 0.180 nan 8.370 nan 0.000 0.485 118 P HA 0.180 nan 4.420 nan 0.000 0.253 118 P C -0.081 177.269 177.300 0.083 0.000 1.260 118 P CA -0.230 62.922 63.100 0.088 0.000 0.800 118 P CB 0.167 31.911 31.700 0.072 0.000 1.162 119 A N 0.336 123.194 122.820 0.063 0.000 2.366 119 A HA 0.230 4.549 4.320 -0.003 0.000 0.249 119 A C -0.732 176.742 177.584 -0.184 0.000 1.084 119 A CA -0.281 51.699 52.037 -0.095 0.000 0.794 119 A CB -0.172 18.668 19.000 -0.266 0.000 1.034 119 A HN 0.221 nan 8.150 nan 0.000 0.491 120 Y N 0.633 120.713 120.300 -0.366 0.000 2.330 120 Y HA 0.560 5.108 4.550 -0.003 0.000 0.336 120 Y C -1.325 174.317 175.900 -0.430 0.000 1.036 120 Y CA -0.102 57.848 58.100 -0.250 0.000 1.125 120 Y CB 0.864 39.253 38.460 -0.117 0.000 1.194 120 Y HN 0.557 nan 8.280 nan 0.000 0.469 121 Y N 4.654 124.835 120.300 -0.199 0.000 2.409 121 Y HA 0.413 4.961 4.550 -0.003 0.000 0.343 121 Y C -0.617 175.196 175.900 -0.144 0.000 0.973 121 Y CA -0.953 57.119 58.100 -0.046 0.000 1.064 121 Y CB 1.620 40.091 38.460 0.018 0.000 1.207 121 Y HN 0.692 nan 8.280 nan 0.000 0.452 122 D N -0.988 119.528 120.400 0.194 0.000 2.652 122 D HA 0.451 5.089 4.640 -0.003 0.000 0.285 122 D C -1.430 175.095 176.300 0.376 0.000 1.173 122 D CA -0.682 53.424 54.000 0.177 0.000 0.981 122 D CB 1.240 42.102 40.800 0.103 0.000 1.440 122 D HN 0.421 nan 8.370 nan 0.000 0.485 123 H N -1.967 117.107 119.070 0.007 0.000 2.797 123 H HA 0.842 5.397 4.556 -0.003 0.000 0.372 123 H C -0.859 174.388 175.328 -0.135 0.000 1.168 123 H CA -0.890 55.147 56.048 -0.020 0.000 1.163 123 H CB 1.977 31.793 29.762 0.090 0.000 1.778 123 H HN 0.247 nan 8.280 nan 0.000 0.551 124 V N 1.570 121.359 119.914 -0.207 0.000 2.841 124 V HA 0.284 4.402 4.120 -0.003 0.000 0.310 124 V C -1.127 174.778 176.094 -0.316 0.000 1.090 124 V CA -0.689 61.416 62.300 -0.325 0.000 0.930 124 V CB 2.054 33.358 31.823 -0.865 0.000 1.014 124 V HN 0.819 nan 8.190 nan 0.000 0.425 125 H N 2.279 121.321 119.070 -0.046 0.000 2.727 125 H HA 0.724 5.278 4.556 -0.003 0.000 0.330 125 H C -0.405 174.994 175.328 0.118 0.000 0.986 125 H CA -0.441 55.642 56.048 0.058 0.000 1.251 125 H CB 1.810 31.585 29.762 0.022 0.000 1.493 125 H HN 0.598 nan 8.280 nan 0.000 0.515 126 V N 0.081 120.147 119.914 0.255 0.000 3.141 126 V HA 0.642 4.761 4.120 -0.003 0.000 0.312 126 V C -0.635 175.625 176.094 0.277 0.000 1.157 126 V CA -0.929 61.551 62.300 0.301 0.000 1.041 126 V CB 2.320 34.336 31.823 0.321 0.000 1.071 126 V HN 0.671 nan 8.190 nan 0.000 0.441 127 H N -0.222 118.930 119.070 0.137 0.000 2.616 127 H HA 0.900 5.454 4.556 -0.003 0.000 0.353 127 H C -0.170 175.211 175.328 0.088 0.000 1.170 127 H CA 0.137 56.253 56.048 0.113 0.000 1.212 127 H CB 1.990 31.816 29.762 0.106 0.000 1.653 127 H HN 1.071 nan 8.280 nan 0.000 0.537 128 T N -0.243 114.412 114.554 0.168 0.000 2.853 128 T HA 0.163 4.511 4.350 -0.003 0.000 0.311 128 T C 0.050 174.801 174.700 0.085 0.000 1.307 128 T CA -0.619 61.540 62.100 0.098 0.000 1.019 128 T CB 1.118 70.011 68.868 0.041 0.000 1.264 128 T HN 0.555 nan 8.240 nan 0.000 0.497 129 D N 0.702 121.132 120.400 0.050 0.000 2.120 129 D HA 0.112 4.750 4.640 -0.003 0.000 0.202 129 D C 0.487 176.805 176.300 0.031 0.000 0.972 129 D CA 1.255 55.292 54.000 0.062 0.000 0.837 129 D CB 0.288 41.107 40.800 0.032 0.000 0.989 129 D HN 0.276 nan 8.370 nan 0.000 0.469 130 V N 1.994 121.896 119.914 -0.020 0.000 2.447 130 V HA 0.225 4.343 4.120 -0.003 0.000 0.292 130 V C -0.693 175.371 176.094 -0.051 0.000 1.021 130 V CA -0.909 61.369 62.300 -0.036 0.000 0.850 130 V CB 2.232 34.013 31.823 -0.071 0.000 1.005 130 V HN -0.029 nan 8.190 nan 0.000 0.426 131 L N 7.155 128.352 121.223 -0.042 0.000 2.264 131 L HA 0.667 5.005 4.340 -0.003 0.000 0.289 131 L C -0.365 176.464 176.870 -0.069 0.000 1.044 131 L CA 0.204 55.004 54.840 -0.066 0.000 0.807 131 L CB 1.520 43.538 42.059 -0.069 0.000 1.192 131 L HN 0.432 nan 8.230 nan 0.000 0.425 132 V N 6.143 126.004 119.914 -0.088 0.000 2.394 132 V HA 0.433 4.551 4.120 -0.003 0.000 0.282 132 V C -0.248 175.789 176.094 -0.095 0.000 1.031 132 V CA -0.660 61.588 62.300 -0.087 0.000 0.881 132 V CB 1.569 33.334 31.823 -0.096 0.000 0.982 132 V HN 0.533 nan 8.190 nan 0.000 0.451 133 V N 3.989 123.849 119.914 -0.090 0.000 2.334 133 V HA 0.904 5.022 4.120 -0.003 0.000 0.281 133 V C 0.514 176.550 176.094 -0.097 0.000 1.016 133 V CA 0.122 62.360 62.300 -0.103 0.000 0.832 133 V CB 0.671 32.422 31.823 -0.120 0.000 0.999 133 V HN 1.293 nan 8.190 nan 0.000 0.439 134 G N 3.948 112.698 108.800 -0.083 0.000 3.069 134 G HA2 0.351 4.309 3.960 -0.003 0.000 0.686 134 G HA3 0.351 4.309 3.960 -0.003 0.000 0.686 134 G C -0.256 174.612 174.900 -0.053 0.000 1.161 134 G CA -0.242 44.819 45.100 -0.065 0.000 0.804 134 G HN 1.539 nan 8.290 nan 0.000 0.608 135 A N 1.590 124.393 122.820 -0.029 0.000 2.911 135 A HA 0.802 5.120 4.320 -0.003 0.000 0.304 135 A C 1.287 178.872 177.584 0.002 0.000 1.144 135 A CA 1.077 53.097 52.037 -0.029 0.000 0.988 135 A CB -0.145 18.846 19.000 -0.016 0.000 1.141 135 A HN 2.133 nan 8.150 nan 0.000 0.552 136 G N 0.248 109.047 108.800 -0.002 0.000 2.508 136 G HA2 0.436 4.394 3.960 -0.003 0.000 0.278 136 G HA3 0.436 4.394 3.960 -0.003 0.000 0.278 136 G C -0.827 174.094 174.900 0.035 0.000 1.389 136 G CA -0.768 44.338 45.100 0.010 0.000 1.050 136 G HN 0.112 nan 8.290 nan 0.000 0.522 137 P HA -0.177 nan 4.420 nan 0.000 0.216 137 P C 1.950 179.266 177.300 0.026 0.000 1.153 137 P CA 2.292 65.406 63.100 0.023 0.000 0.858 137 P CB -0.060 31.574 31.700 -0.110 0.000 0.789 138 A N 0.466 123.275 122.820 -0.019 0.000 1.865 138 A HA -0.089 4.229 4.320 -0.003 0.000 0.217 138 A C 2.677 180.257 177.584 -0.006 0.000 1.191 138 A CA 2.312 54.336 52.037 -0.022 0.000 0.623 138 A CB -1.949 17.023 19.000 -0.046 0.000 0.826 138 A HN 0.306 nan 8.150 nan 0.000 0.444 139 G N -0.633 108.157 108.800 -0.018 0.000 2.422 139 G HA2 -0.070 3.888 3.960 -0.003 0.000 0.218 139 G HA3 -0.070 3.888 3.960 -0.003 0.000 0.218 139 G C 1.559 176.437 174.900 -0.036 0.000 1.140 139 G CA 0.892 45.969 45.100 -0.038 0.000 0.775 139 G HN 0.410 nan 8.290 nan 0.000 0.545 140 L N 0.614 121.844 121.223 0.012 0.000 2.017 140 L HA -0.085 4.253 4.340 -0.003 0.000 0.208 140 L C 3.420 180.321 176.870 0.052 0.000 1.073 140 L CA 1.195 56.043 54.840 0.013 0.000 0.745 140 L CB -0.391 41.746 42.059 0.130 0.000 0.894 140 L HN 0.300 nan 8.230 nan 0.000 0.432 141 A N -0.174 122.756 122.820 0.183 0.000 1.902 141 A HA -0.205 4.113 4.320 -0.003 0.000 0.217 141 A C 2.507 180.113 177.584 0.036 0.000 1.181 141 A CA 1.827 53.963 52.037 0.164 0.000 0.623 141 A CB -0.804 18.285 19.000 0.149 0.000 0.818 141 A HN 0.429 nan 8.150 nan 0.000 0.443 142 A N -0.197 122.621 122.820 -0.003 0.000 1.883 142 A HA 0.123 4.441 4.320 -0.003 0.000 0.217 142 A C 2.511 180.054 177.584 -0.069 0.000 1.186 142 A CA 2.297 54.307 52.037 -0.044 0.000 0.624 142 A CB -1.018 17.948 19.000 -0.058 0.000 0.822 142 A HN 1.080 nan 8.150 nan 0.000 0.444 143 A N -0.686 122.083 122.820 -0.086 0.000 1.897 143 A HA -0.095 4.224 4.320 -0.003 0.000 0.215 143 A C 2.234 179.746 177.584 -0.119 0.000 1.181 143 A CA 1.508 53.473 52.037 -0.120 0.000 0.620 143 A CB -0.504 18.396 19.000 -0.166 0.000 0.821 143 A HN 0.542 nan 8.150 nan 0.000 0.443 144 R N -0.249 120.183 120.500 -0.114 0.000 2.094 144 R HA -0.188 4.151 4.340 -0.003 0.000 0.239 144 R C 1.969 178.223 176.300 -0.076 0.000 1.137 144 R CA 1.904 57.938 56.100 -0.109 0.000 0.943 144 R CB -0.260 29.976 30.300 -0.106 0.000 0.850 144 R HN 0.481 nan 8.270 nan 0.000 0.433 145 E N 0.072 120.241 120.200 -0.052 0.000 2.077 145 E HA -0.163 4.185 4.350 -0.003 0.000 0.193 145 E C 1.856 178.422 176.600 -0.057 0.000 0.989 145 E CA 1.363 57.738 56.400 -0.042 0.000 0.800 145 E CB -0.284 29.399 29.700 -0.029 0.000 0.746 145 E HN 0.487 nan 8.360 nan 0.000 0.452 146 A N 0.850 123.624 122.820 -0.077 0.000 1.968 146 A HA -0.115 4.203 4.320 -0.003 0.000 0.217 146 A C 2.390 179.907 177.584 -0.112 0.000 1.169 146 A CA 1.674 53.657 52.037 -0.091 0.000 0.638 146 A CB -0.433 18.504 19.000 -0.105 0.000 0.812 146 A HN 0.234 nan 8.150 nan 0.000 0.446 147 S N -0.352 115.282 115.700 -0.110 0.000 2.368 147 S HA -0.152 4.317 4.470 -0.003 0.000 0.224 147 S C 2.103 176.642 174.600 -0.102 0.000 1.029 147 S CA 1.280 59.410 58.200 -0.118 0.000 0.988 147 S CB -0.317 62.816 63.200 -0.112 0.000 0.838 147 S HN 0.622 nan 8.310 nan 0.000 0.462 148 R N 0.969 121.423 120.500 -0.076 0.000 2.237 148 R HA -0.013 4.325 4.340 -0.003 0.000 0.219 148 R C 2.465 178.744 176.300 -0.035 0.000 1.080 148 R CA 1.272 57.341 56.100 -0.052 0.000 0.995 148 R CB -0.346 29.930 30.300 -0.039 0.000 0.875 148 R HN 0.613 nan 8.270 nan 0.000 0.462 149 S N -0.837 114.839 115.700 -0.040 0.000 2.515 149 S HA 0.038 4.506 4.470 -0.003 0.000 0.231 149 S C 1.541 176.151 174.600 0.017 0.000 0.987 149 S CA 0.656 58.865 58.200 0.015 0.000 0.936 149 S CB 0.366 63.592 63.200 0.042 0.000 0.766 149 S HN 0.496 nan 8.310 nan 0.000 0.528 150 G N 0.586 109.320 108.800 -0.109 0.000 2.195 150 G HA2 -0.105 3.853 3.960 -0.003 0.000 0.246 150 G HA3 -0.105 3.853 3.960 -0.003 0.000 0.246 150 G C 0.311 174.823 174.900 -0.646 0.000 0.984 150 G CA -0.001 44.999 45.100 -0.165 0.000 0.633 150 G HN 1.282 nan 8.290 nan 0.000 0.525 151 A N 0.301 122.559 122.820 -0.937 0.000 2.406 151 A HA 0.651 4.969 4.320 -0.003 0.000 0.243 151 A C 0.863 178.084 177.584 -0.604 0.000 1.082 151 A CA 0.056 51.289 52.037 -1.340 0.000 0.786 151 A CB 0.232 18.788 19.000 -0.739 0.000 1.029 151 A HN 0.497 nan 8.150 nan 0.000 0.495 152 R N 0.226 120.468 120.500 -0.431 0.000 2.449 152 R HA 0.353 4.691 4.340 -0.003 0.000 0.296 152 R C -1.091 175.122 176.300 -0.145 0.000 1.047 152 R CA 0.039 56.025 56.100 -0.190 0.000 1.018 152 R CB 0.350 30.604 30.300 -0.078 0.000 0.962 152 R HN 0.419 nan 8.270 nan 0.000 0.428 153 V N 5.369 125.212 119.914 -0.118 0.000 2.656 153 V HA 0.427 4.545 4.120 -0.003 0.000 0.307 153 V C -0.085 175.957 176.094 -0.087 0.000 1.051 153 V CA -0.740 61.496 62.300 -0.107 0.000 0.893 153 V CB 2.088 33.836 31.823 -0.126 0.000 0.999 153 V HN 0.710 nan 8.190 nan 0.000 0.426 154 M N 5.276 124.820 119.600 -0.092 0.000 2.253 154 M HA 0.568 5.046 4.480 -0.003 0.000 0.314 154 M C -1.446 174.781 176.300 -0.122 0.000 1.019 154 M CA -0.672 54.559 55.300 -0.114 0.000 0.932 154 M CB 2.191 34.709 32.600 -0.137 0.000 1.606 154 M HN 0.491 nan 8.290 nan 0.000 0.430 155 L N 5.079 126.233 121.223 -0.116 0.000 2.319 155 L HA 0.675 5.013 4.340 -0.003 0.000 0.281 155 L C -1.942 174.890 176.870 -0.062 0.000 1.005 155 L CA -0.379 54.392 54.840 -0.115 0.000 0.828 155 L CB 1.027 42.965 42.059 -0.201 0.000 1.227 155 L HN 0.566 nan 8.230 nan 0.000 0.415 156 L N 4.732 125.899 121.223 -0.094 0.000 2.346 156 L HA 0.693 5.031 4.340 -0.003 0.000 0.276 156 L C -0.804 176.034 176.870 -0.053 0.000 1.006 156 L CA -0.235 54.547 54.840 -0.097 0.000 0.817 156 L CB 1.914 43.869 42.059 -0.174 0.000 1.272 156 L HN 0.676 nan 8.230 nan 0.000 0.421 157 D N -0.601 119.786 120.400 -0.020 0.000 2.859 157 D HA 0.271 4.909 4.640 -0.003 0.000 0.223 157 D C 0.191 176.495 176.300 0.008 0.000 1.218 157 D CA -0.348 53.653 54.000 0.001 0.000 0.850 157 D CB 1.649 42.470 40.800 0.034 0.000 1.656 157 D HN 0.662 nan 8.370 nan 0.000 0.484 158 E N 2.045 122.264 120.200 0.032 0.000 2.442 158 E HA 0.094 4.442 4.350 -0.003 0.000 0.195 158 E C 0.180 176.807 176.600 0.045 0.000 1.030 158 E CA 0.065 56.498 56.400 0.056 0.000 0.869 158 E CB 0.485 30.253 29.700 0.113 0.000 0.857 158 E HN 0.243 nan 8.360 nan 0.000 0.505 159 R N 0.789 121.311 120.500 0.036 0.000 2.541 159 R HA 0.194 4.532 4.340 -0.003 0.000 0.263 159 R C -1.691 174.605 176.300 -0.006 0.000 1.112 159 R CA -1.768 54.349 56.100 0.029 0.000 1.170 159 R CB -0.064 30.256 30.300 0.033 0.000 1.167 159 R HN -0.110 nan 8.270 nan 0.000 0.582 160 P HA -0.146 nan 4.420 nan 0.000 0.219 160 P C -0.598 176.667 177.300 -0.058 0.000 1.150 160 P CA 1.398 64.465 63.100 -0.055 0.000 0.814 160 P CB 0.281 31.969 31.700 -0.021 0.000 0.787 161 E N -2.114 118.071 120.200 -0.025 0.000 2.429 161 E HA 0.646 4.994 4.350 -0.003 0.000 0.276 161 E C -1.126 175.490 176.600 0.026 0.000 0.953 161 E CA -1.399 54.994 56.400 -0.011 0.000 0.787 161 E CB 1.215 30.907 29.700 -0.013 0.000 1.307 161 E HN -0.176 nan 8.360 nan 0.000 0.458 162 A N 0.012 122.876 122.820 0.074 0.000 2.448 162 A HA 0.512 4.830 4.320 -0.003 0.000 0.239 162 A C 1.100 178.711 177.584 0.044 0.000 1.080 162 A CA 0.831 52.921 52.037 0.087 0.000 0.779 162 A CB -0.387 18.681 19.000 0.113 0.000 1.026 162 A HN 1.349 nan 8.150 nan 0.000 0.499 163 G N -0.625 108.200 108.800 0.041 0.000 2.421 163 G HA2 0.312 4.270 3.960 -0.003 0.000 0.188 163 G HA3 0.312 4.270 3.960 -0.003 0.000 0.188 163 G C 1.674 176.588 174.900 0.024 0.000 1.001 163 G CA 0.765 45.893 45.100 0.046 0.000 0.693 163 G HN 2.716 nan 8.290 nan 0.000 0.479 164 G N -0.004 108.805 108.800 0.014 0.000 2.651 164 G HA2 -0.288 3.670 3.960 -0.003 0.000 0.315 164 G HA3 -0.288 3.670 3.960 -0.003 0.000 0.315 164 G C 1.193 176.090 174.900 -0.005 0.000 1.258 164 G CA 1.851 46.956 45.100 0.008 0.000 1.002 164 G HN 1.294 nan 8.290 nan 0.000 0.551 165 T N 1.555 116.104 114.554 -0.008 0.000 3.007 165 T HA 0.090 4.438 4.350 -0.003 0.000 0.270 165 T C 2.493 177.173 174.700 -0.032 0.000 1.107 165 T CA 1.402 63.492 62.100 -0.017 0.000 1.118 165 T CB -0.167 68.689 68.868 -0.020 0.000 0.889 165 T HN 0.401 nan 8.240 nan 0.000 0.506 166 L N 0.539 121.745 121.223 -0.028 0.000 2.079 166 L HA -0.109 4.229 4.340 -0.003 0.000 0.210 166 L C 2.764 179.612 176.870 -0.036 0.000 1.081 166 L CA 1.027 55.849 54.840 -0.030 0.000 0.752 166 L CB -0.413 41.642 42.059 -0.005 0.000 0.896 166 L HN 0.084 nan 8.230 nan 0.000 0.433 167 R N 0.417 120.890 120.500 -0.045 0.000 2.189 167 R HA -0.119 4.220 4.340 -0.003 0.000 0.223 167 R C 1.675 177.909 176.300 -0.110 0.000 1.092 167 R CA 0.913 56.965 56.100 -0.080 0.000 0.989 167 R CB -0.509 29.729 30.300 -0.103 0.000 0.876 167 R HN 0.544 nan 8.270 nan 0.000 0.457 168 E N 0.129 120.277 120.200 -0.088 0.000 2.478 168 E HA 0.150 4.498 4.350 -0.003 0.000 0.194 168 E C 0.328 176.896 176.600 -0.053 0.000 1.045 168 E CA 0.088 56.438 56.400 -0.084 0.000 0.868 168 E CB 0.435 30.098 29.700 -0.061 0.000 0.885 168 E HN 0.202 nan 8.360 nan 0.000 0.505 169 A N 0.894 123.686 122.820 -0.047 0.000 2.347 169 A HA 0.744 5.062 4.320 -0.003 0.000 0.301 169 A C -0.193 177.371 177.584 -0.032 0.000 1.163 169 A CA -0.292 51.724 52.037 -0.035 0.000 0.860 169 A CB 1.658 20.634 19.000 -0.039 0.000 1.367 169 A HN 0.081 nan 8.150 nan 0.000 0.461 170 S N -2.673 113.011 115.700 -0.026 0.000 2.636 170 S HA 0.564 5.032 4.470 -0.003 0.000 0.268 170 S C 0.569 175.156 174.600 -0.022 0.000 1.159 170 S CA 0.496 58.682 58.200 -0.023 0.000 0.815 170 S CB 0.567 63.757 63.200 -0.017 0.000 1.130 170 S HN 2.743 nan 8.310 nan 0.000 0.471 171 G N 0.239 109.028 108.800 -0.020 0.000 2.196 171 G HA2 -0.259 3.699 3.960 -0.003 0.000 0.268 171 G HA3 -0.259 3.699 3.960 -0.003 0.000 0.268 171 G C -0.100 174.782 174.900 -0.031 0.000 0.975 171 G CA 0.858 45.946 45.100 -0.021 0.000 0.648 171 G HN 1.048 nan 8.290 nan 0.000 0.538 172 E N 0.628 120.804 120.200 -0.041 0.000 2.133 172 E HA 0.471 4.819 4.350 -0.003 0.000 0.274 172 E C 0.354 176.912 176.600 -0.070 0.000 0.930 172 E CA -0.544 55.819 56.400 -0.061 0.000 0.770 172 E CB 0.481 30.136 29.700 -0.076 0.000 1.104 172 E HN 0.484 nan 8.360 nan 0.000 0.403 173 Q N 3.145 122.900 119.800 -0.076 0.000 2.230 173 Q HA 0.372 4.710 4.340 -0.003 0.000 0.248 173 Q C -0.440 175.465 176.000 -0.158 0.000 0.915 173 Q CA -0.805 54.948 55.803 -0.084 0.000 0.900 173 Q CB 1.543 30.248 28.738 -0.054 0.000 1.229 173 Q HN 0.461 nan 8.270 nan 0.000 0.439 174 I N 1.748 122.194 120.570 -0.207 0.000 2.509 174 I HA 0.134 4.302 4.170 -0.003 0.000 0.293 174 I C -0.235 175.739 176.117 -0.238 0.000 1.020 174 I CA -0.708 60.346 61.300 -0.410 0.000 1.088 174 I CB 1.446 38.833 38.000 -1.021 0.000 1.267 174 I HN 0.658 nan 8.210 nan 0.000 0.430 175 D N 4.826 125.116 120.400 -0.184 0.000 2.737 175 D HA -0.197 4.441 4.640 -0.003 0.000 0.233 175 D C 1.323 177.635 176.300 0.020 0.000 1.155 175 D CA 1.591 55.583 54.000 -0.014 0.000 0.667 175 D CB -0.858 40.028 40.800 0.145 0.000 1.060 175 D HN 1.171 nan 8.370 nan 0.000 0.427 176 G N -0.609 108.180 108.800 -0.017 0.000 2.184 176 G HA2 -0.318 3.640 3.960 -0.003 0.000 0.264 176 G HA3 -0.318 3.640 3.960 -0.003 0.000 0.264 176 G C 0.505 175.413 174.900 0.014 0.000 0.975 176 G CA 0.730 45.827 45.100 -0.004 0.000 0.642 176 G HN 0.807 nan 8.290 nan 0.000 0.536 177 I N -3.307 117.283 120.570 0.034 0.000 3.002 177 I HA 0.715 4.884 4.170 -0.003 0.000 0.310 177 I C -0.647 175.497 176.117 0.046 0.000 1.087 177 I CA -1.493 59.837 61.300 0.051 0.000 1.017 177 I CB 1.540 39.593 38.000 0.089 0.000 1.226 177 I HN -0.199 nan 8.210 nan 0.000 0.443 178 D N 2.729 123.154 120.400 0.042 0.000 2.472 178 D HA 0.136 4.774 4.640 -0.003 0.000 0.237 178 D C 1.154 177.494 176.300 0.066 0.000 1.141 178 D CA 0.498 54.517 54.000 0.031 0.000 0.875 178 D CB 1.690 42.505 40.800 0.023 0.000 1.192 178 D HN 0.745 nan 8.370 nan 0.000 0.450 179 A N 2.875 125.718 122.820 0.037 0.000 1.948 179 A HA -0.209 4.110 4.320 -0.003 0.000 0.220 179 A C 2.086 179.753 177.584 0.138 0.000 1.177 179 A CA 2.342 54.421 52.037 0.070 0.000 0.636 179 A CB -0.613 18.387 19.000 0.000 0.000 0.815 179 A HN 0.639 nan 8.150 nan 0.000 0.449 180 A N -0.643 122.223 122.820 0.077 0.000 1.883 180 A HA -0.243 4.075 4.320 -0.003 0.000 0.217 180 A C 2.120 179.745 177.584 0.068 0.000 1.186 180 A CA 1.739 53.812 52.037 0.059 0.000 0.624 180 A CB -0.638 18.374 19.000 0.021 0.000 0.822 180 A HN 0.685 nan 8.150 nan 0.000 0.444 181 Q N -2.220 117.623 119.800 0.073 0.000 2.124 181 Q HA -0.233 4.105 4.340 -0.003 0.000 0.202 181 Q C 1.949 178.004 176.000 0.092 0.000 0.977 181 Q CA 1.622 57.461 55.803 0.061 0.000 0.850 181 Q CB -0.289 28.485 28.738 0.059 0.000 0.901 181 Q HN 0.875 nan 8.270 nan 0.000 0.429 182 W N 1.384 122.666 121.300 -0.029 0.000 2.358 182 W HA -0.139 4.519 4.660 -0.003 0.000 0.303 182 W C 1.642 178.141 176.519 -0.035 0.000 1.208 182 W CA 1.248 58.574 57.345 -0.032 0.000 1.274 182 W CB -0.089 29.350 29.460 -0.035 0.000 1.138 182 W HN 0.005 nan 8.180 nan 0.000 0.515 183 I N 0.441 121.108 120.570 0.163 0.000 2.226 183 I HA -0.324 3.844 4.170 -0.003 0.000 0.245 183 I C 2.070 178.109 176.117 -0.130 0.000 1.100 183 I CA 1.754 63.056 61.300 0.004 0.000 1.374 183 I CB -0.636 37.421 38.000 0.094 0.000 1.057 183 I HN -0.113 nan 8.210 nan 0.000 0.413 184 D N 0.952 121.306 120.400 -0.077 0.000 2.117 184 D HA -0.134 4.505 4.640 -0.003 0.000 0.197 184 D C 2.295 178.514 176.300 -0.135 0.000 0.987 184 D CA 1.577 55.530 54.000 -0.078 0.000 0.829 184 D CB -0.217 40.557 40.800 -0.043 0.000 0.961 184 D HN 0.343 nan 8.370 nan 0.000 0.460 185 A N 0.584 123.291 122.820 -0.189 0.000 1.877 185 A HA -0.151 4.168 4.320 -0.003 0.000 0.216 185 A C 2.538 179.924 177.584 -0.329 0.000 1.186 185 A CA 1.418 53.312 52.037 -0.239 0.000 0.620 185 A CB -0.771 18.074 19.000 -0.258 0.000 0.822 185 A HN 0.151 nan 8.150 nan 0.000 0.443 186 V N 0.603 120.206 119.914 -0.518 0.000 2.295 186 V HA -0.238 3.880 4.120 -0.003 0.000 0.246 186 V C 2.995 178.912 176.094 -0.296 0.000 1.049 186 V CA 2.473 64.470 62.300 -0.505 0.000 1.024 186 V CB -1.522 29.836 31.823 -0.774 0.000 0.648 186 V HN 0.837 nan 8.190 nan 0.000 0.447 187 T N -1.907 112.517 114.554 -0.217 0.000 2.904 187 T HA -0.174 4.174 4.350 -0.003 0.000 0.267 187 T C 1.644 176.313 174.700 -0.052 0.000 1.059 187 T CA 1.478 63.520 62.100 -0.096 0.000 1.137 187 T CB -0.354 68.527 68.868 0.022 0.000 0.879 187 T HN 0.550 nan 8.240 nan 0.000 0.467 188 E N 1.273 121.425 120.200 -0.079 0.000 2.058 188 E HA -0.192 4.157 4.350 -0.003 0.000 0.194 188 E C 2.301 178.856 176.600 -0.075 0.000 0.997 188 E CA 1.499 57.860 56.400 -0.065 0.000 0.801 188 E CB -0.188 29.470 29.700 -0.071 0.000 0.746 188 E HN 0.744 nan 8.360 nan 0.000 0.450 189 E N 0.819 120.952 120.200 -0.112 0.000 2.085 189 E HA -0.213 4.135 4.350 -0.003 0.000 0.194 189 E C 2.099 178.644 176.600 -0.092 0.000 0.994 189 E CA 0.850 57.187 56.400 -0.105 0.000 0.801 189 E CB -0.032 29.587 29.700 -0.135 0.000 0.743 189 E HN 0.230 nan 8.360 nan 0.000 0.453 190 L N 0.286 121.447 121.223 -0.103 0.000 2.093 190 L HA -0.122 4.216 4.340 -0.003 0.000 0.208 190 L C 2.702 179.554 176.870 -0.030 0.000 1.085 190 L CA 0.923 55.714 54.840 -0.082 0.000 0.755 190 L CB -0.514 41.472 42.059 -0.121 0.000 0.904 190 L HN 0.207 nan 8.230 nan 0.000 0.435 191 A N 0.204 123.018 122.820 -0.010 0.000 1.930 191 A HA -0.073 4.245 4.320 -0.003 0.000 0.217 191 A C 2.383 179.961 177.584 -0.010 0.000 1.175 191 A CA 1.596 53.636 52.037 0.005 0.000 0.627 191 A CB -0.501 18.502 19.000 0.005 0.000 0.815 191 A HN 0.385 nan 8.150 nan 0.000 0.443 192 A N -0.996 121.810 122.820 -0.024 0.000 2.238 192 A HA 0.581 4.900 4.320 -0.003 0.000 0.208 192 A C 1.175 178.743 177.584 -0.027 0.000 1.177 192 A CA 0.694 52.716 52.037 -0.025 0.000 0.804 192 A CB -0.570 18.411 19.000 -0.031 0.000 0.823 192 A HN 0.912 nan 8.150 nan 0.000 0.482 193 A N -0.033 122.767 122.820 -0.033 0.000 2.276 193 A HA 0.498 4.816 4.320 -0.003 0.000 0.300 193 A C 0.655 178.221 177.584 -0.031 0.000 1.235 193 A CA -0.162 51.851 52.037 -0.039 0.000 0.867 193 A CB 0.317 19.283 19.000 -0.057 0.000 1.137 193 A HN 0.435 nan 8.150 nan 0.000 0.527 194 E N 1.469 121.653 120.200 -0.026 0.000 2.268 194 E HA -0.122 4.226 4.350 -0.003 0.000 0.195 194 E C 0.591 177.180 176.600 -0.018 0.000 0.995 194 E CA 1.137 57.528 56.400 -0.015 0.000 0.836 194 E CB 0.256 29.950 29.700 -0.009 0.000 0.763 194 E HN 0.706 nan 8.360 nan 0.000 0.491 195 E N -0.023 120.153 120.200 -0.040 0.000 2.499 195 E HA 0.100 4.448 4.350 -0.003 0.000 0.199 195 E C -0.597 175.965 176.600 -0.062 0.000 1.016 195 E CA 0.126 56.495 56.400 -0.052 0.000 0.933 195 E CB 1.277 30.925 29.700 -0.088 0.000 1.050 195 E HN -0.017 nan 8.360 nan 0.000 0.462 196 T N 1.013 115.536 114.554 -0.051 0.000 2.797 196 T HA 0.397 4.746 4.350 -0.003 0.000 0.279 196 T C -0.119 174.568 174.700 -0.021 0.000 0.991 196 T CA -0.287 61.781 62.100 -0.053 0.000 0.979 196 T CB 1.798 70.627 68.868 -0.065 0.000 0.943 196 T HN -0.191 nan 8.240 nan 0.000 0.444 197 T N 2.945 117.484 114.554 -0.025 0.000 2.791 197 T HA 0.303 4.652 4.350 -0.003 0.000 0.288 197 T C -0.677 174.017 174.700 -0.009 0.000 0.999 197 T CA -0.566 61.525 62.100 -0.015 0.000 0.952 197 T CB 0.459 69.306 68.868 -0.035 0.000 0.938 197 T HN 0.674 nan 8.240 nan 0.000 0.444 198 H N 4.402 123.406 119.070 -0.110 0.000 2.623 198 H HA 0.491 5.045 4.556 -0.003 0.000 0.299 198 H C -0.976 174.275 175.328 -0.129 0.000 1.052 198 H CA -0.941 55.035 56.048 -0.120 0.000 1.231 198 H CB 0.412 30.118 29.762 -0.093 0.000 1.389 198 H HN 0.417 nan 8.280 nan 0.000 0.469 199 L N 5.546 126.718 121.223 -0.086 0.000 2.276 199 L HA 0.267 4.606 4.340 -0.003 0.000 0.286 199 L C -0.026 176.747 176.870 -0.162 0.000 1.024 199 L CA -0.770 53.944 54.840 -0.210 0.000 0.826 199 L CB 1.446 43.300 42.059 -0.342 0.000 1.211 199 L HN 0.561 nan 8.230 nan 0.000 0.422 200 Q N 2.578 122.241 119.800 -0.228 0.000 2.237 200 Q HA 0.348 4.686 4.340 -0.003 0.000 0.219 200 Q C 0.255 176.200 176.000 -0.092 0.000 0.999 200 Q CA -0.598 55.122 55.803 -0.138 0.000 0.959 200 Q CB 0.888 29.520 28.738 -0.177 0.000 1.173 200 Q HN 0.413 nan 8.270 nan 0.000 0.527 201 R N -0.935 119.529 120.500 -0.061 0.000 3.502 201 R HA -0.136 4.203 4.340 -0.003 0.000 0.266 201 R C -0.631 175.672 176.300 0.005 0.000 1.077 201 R CA 0.701 56.783 56.100 -0.030 0.000 0.718 201 R CB -2.349 27.911 30.300 -0.067 0.000 1.120 201 R HN 0.431 nan 8.270 nan 0.000 0.457 202 T N 0.218 114.767 114.554 -0.008 0.000 2.848 202 T HA 0.350 4.698 4.350 -0.003 0.000 0.285 202 T C -0.048 174.666 174.700 0.024 0.000 0.995 202 T CA -0.481 61.617 62.100 -0.003 0.000 0.970 202 T CB 2.220 71.022 68.868 -0.111 0.000 0.976 202 T HN -0.002 nan 8.240 nan 0.000 0.441 203 T N 2.643 117.255 114.554 0.097 0.000 2.758 203 T HA 0.388 4.736 4.350 -0.003 0.000 0.285 203 T C 0.220 175.012 174.700 0.153 0.000 0.981 203 T CA -0.511 61.681 62.100 0.154 0.000 0.965 203 T CB 0.991 70.007 68.868 0.247 0.000 0.927 203 T HN 0.349 nan 8.240 nan 0.000 0.448 204 V N 5.993 125.931 119.914 0.040 0.000 2.387 204 V HA 0.152 4.270 4.120 -0.003 0.000 0.260 204 V C 0.653 176.775 176.094 0.045 0.000 1.054 204 V CA 0.030 62.296 62.300 -0.057 0.000 0.967 204 V CB -0.731 31.011 31.823 -0.136 0.000 1.036 204 V HN 0.960 nan 8.190 nan 0.000 0.481 205 F N 2.415 122.389 119.950 0.041 0.000 2.717 205 F HA 0.710 5.235 4.527 -0.003 0.000 0.297 205 F C 0.870 176.718 175.800 0.079 0.000 1.113 205 F CA -0.199 57.871 58.000 0.116 0.000 1.319 205 F CB 0.199 39.279 39.000 0.135 0.000 1.097 205 F HN 0.397 nan 8.300 nan 0.000 0.595 206 G N 0.162 108.755 108.800 -0.344 0.000 2.701 206 G HA2 0.460 4.418 3.960 -0.003 0.000 0.300 206 G HA3 0.460 4.418 3.960 -0.003 0.000 0.300 206 G C -1.778 172.809 174.900 -0.522 0.000 1.410 206 G CA -0.744 44.153 45.100 -0.338 0.000 1.014 206 G HN 0.152 nan 8.290 nan 0.000 0.509 207 S N 1.014 116.267 115.700 -0.745 0.000 2.707 207 S HA 0.769 5.237 4.470 -0.003 0.000 0.303 207 S C -1.186 173.051 174.600 -0.606 0.000 1.132 207 S CA -0.604 57.312 58.200 -0.473 0.000 1.046 207 S CB 0.311 63.354 63.200 -0.262 0.000 1.004 207 S HN 0.448 nan 8.310 nan 0.000 0.483 208 Y N 1.305 121.630 120.300 0.042 0.000 2.686 208 Y HA 0.445 4.993 4.550 -0.003 0.000 0.330 208 Y C 0.263 176.202 175.900 0.065 0.000 1.082 208 Y CA -1.312 56.831 58.100 0.071 0.000 1.158 208 Y CB 0.366 38.904 38.460 0.131 0.000 1.333 208 Y HN 0.491 nan 8.280 nan 0.000 0.519 209 D N 0.629 121.153 120.400 0.207 0.000 2.571 209 D HA 0.286 4.925 4.640 -0.003 0.000 0.231 209 D C 0.254 176.616 176.300 0.103 0.000 1.133 209 D CA 1.781 55.844 54.000 0.104 0.000 0.862 209 D CB 0.163 41.003 40.800 0.066 0.000 1.179 209 D HN 0.858 nan 8.370 nan 0.000 0.474 210 A N 3.354 126.214 122.820 0.066 0.000 2.687 210 A HA -0.315 4.003 4.320 -0.003 0.000 0.299 210 A C 0.522 178.164 177.584 0.096 0.000 1.497 210 A CA 0.592 52.668 52.037 0.065 0.000 0.751 210 A CB -1.857 17.175 19.000 0.053 0.000 1.048 210 A HN 0.716 nan 8.150 nan 0.000 0.464 211 N N -3.123 115.631 118.700 0.090 0.000 2.758 211 N HA -0.219 4.519 4.740 -0.003 0.000 0.248 211 N C -0.516 175.073 175.510 0.132 0.000 1.076 211 N CA 1.773 54.871 53.050 0.080 0.000 0.696 211 N CB -1.834 36.686 38.487 0.055 0.000 0.979 211 N HN 1.026 nan 8.380 nan 0.000 0.550 212 Y N 0.460 120.786 120.300 0.043 0.000 2.404 212 Y HA 0.527 5.076 4.550 -0.003 0.000 0.344 212 Y C 0.007 175.966 175.900 0.099 0.000 0.970 212 Y CA -0.793 57.345 58.100 0.064 0.000 1.180 212 Y CB 0.450 38.968 38.460 0.097 0.000 1.138 212 Y HN 0.097 nan 8.280 nan 0.000 0.510 213 I N 6.356 126.795 120.570 -0.219 0.000 2.412 213 I HA 0.318 4.487 4.170 -0.003 0.000 0.296 213 I C -1.053 174.808 176.117 -0.425 0.000 0.987 213 I CA -0.586 60.573 61.300 -0.235 0.000 1.180 213 I CB 1.587 39.463 38.000 -0.207 0.000 1.340 213 I HN 0.496 nan 8.210 nan 0.000 0.455 214 L N 6.144 127.096 121.223 -0.452 0.000 2.287 214 L HA 0.795 5.133 4.340 -0.003 0.000 0.287 214 L C -0.241 176.091 176.870 -0.896 0.000 1.022 214 L CA 0.020 54.396 54.840 -0.773 0.000 0.814 214 L CB 1.284 42.781 42.059 -0.936 0.000 1.217 214 L HN 0.730 nan 8.230 nan 0.000 0.420 215 A N 3.141 125.700 122.820 -0.434 0.000 2.454 215 A HA 0.940 5.258 4.320 -0.003 0.000 0.302 215 A C -1.006 176.746 177.584 0.279 0.000 1.079 215 A CA -0.527 51.466 52.037 -0.074 0.000 0.731 215 A CB 1.708 20.652 19.000 -0.093 0.000 1.299 215 A HN 0.672 nan 8.150 nan 0.000 0.413 216 A N 1.194 124.259 122.820 0.408 0.000 2.273 216 A HA 0.620 4.938 4.320 -0.003 0.000 0.315 216 A C -0.298 177.428 177.584 0.237 0.000 1.256 216 A CA -0.422 51.810 52.037 0.325 0.000 0.851 216 A CB 0.474 19.614 19.000 0.233 0.000 1.172 216 A HN 0.850 nan 8.150 nan 0.000 0.508 217 Q N 2.009 121.979 119.800 0.284 0.000 2.274 217 Q HA 0.428 4.766 4.340 -0.003 0.000 0.256 217 Q C -0.813 175.314 176.000 0.211 0.000 0.927 217 Q CA -0.767 55.170 55.803 0.224 0.000 0.939 217 Q CB 0.662 29.619 28.738 0.366 0.000 1.201 217 Q HN 0.582 nan 8.270 nan 0.000 0.426 218 R N 3.147 123.740 120.500 0.155 0.000 2.205 218 R HA 0.215 4.553 4.340 -0.003 0.000 0.342 218 R C 0.505 176.911 176.300 0.177 0.000 1.058 218 R CA 0.042 56.241 56.100 0.165 0.000 0.904 218 R CB 0.428 30.807 30.300 0.133 0.000 1.089 218 R HN 0.701 nan 8.270 nan 0.000 0.471 219 R N 0.241 120.863 120.500 0.204 0.000 2.090 219 R HA 0.015 4.354 4.340 -0.003 0.000 0.219 219 R C 0.746 177.204 176.300 0.264 0.000 1.100 219 R CA 1.500 57.726 56.100 0.211 0.000 0.991 219 R CB 0.399 30.808 30.300 0.183 0.000 0.893 219 R HN 0.615 nan 8.270 nan 0.000 0.443 220 T N -2.957 111.722 114.554 0.208 0.000 3.170 220 T HA 0.187 4.535 4.350 -0.003 0.000 0.288 220 T C 1.400 176.166 174.700 0.109 0.000 0.992 220 T CA -0.272 61.895 62.100 0.111 0.000 0.909 220 T CB 0.466 69.363 68.868 0.048 0.000 1.133 220 T HN -0.140 nan 8.240 nan 0.000 0.530 221 V N 2.744 122.793 119.914 0.224 0.000 2.515 221 V HA -0.121 3.998 4.120 -0.003 0.000 0.250 221 V C 2.575 178.779 176.094 0.183 0.000 1.058 221 V CA 1.883 64.292 62.300 0.182 0.000 1.064 221 V CB -0.896 31.033 31.823 0.177 0.000 0.675 221 V HN 0.829 nan 8.190 nan 0.000 0.461 222 H N -0.909 118.205 119.070 0.072 0.000 2.533 222 H HA 0.264 4.819 4.556 -0.003 0.000 0.271 222 H C 0.470 175.839 175.328 0.068 0.000 1.000 222 H CA -0.289 55.799 56.048 0.067 0.000 1.149 222 H CB -0.520 29.281 29.762 0.065 0.000 1.375 222 H HN 0.337 nan 8.280 nan 0.000 0.582 223 L N 1.333 122.377 121.223 -0.298 0.000 2.334 223 L HA 0.107 4.445 4.340 -0.003 0.000 0.277 223 L C 0.942 177.789 176.870 -0.037 0.000 1.075 223 L CA -0.640 54.055 54.840 -0.241 0.000 0.804 223 L CB 1.351 43.261 42.059 -0.248 0.000 1.174 223 L HN -0.023 nan 8.230 nan 0.000 0.438 224 D N 2.050 122.437 120.400 -0.021 0.000 2.117 224 D HA -0.040 4.599 4.640 -0.003 0.000 0.197 224 D C 0.916 177.256 176.300 0.066 0.000 0.987 224 D CA 1.206 55.226 54.000 0.033 0.000 0.829 224 D CB 0.195 41.004 40.800 0.016 0.000 0.961 224 D HN 0.688 nan 8.370 nan 0.000 0.460 225 G N 1.148 109.932 108.800 -0.027 0.000 2.770 225 G HA2 0.406 4.365 3.960 -0.003 0.000 0.298 225 G HA3 0.406 4.365 3.960 -0.003 0.000 0.298 225 G C -2.919 171.871 174.900 -0.184 0.000 1.534 225 G CA -0.871 44.139 45.100 -0.150 0.000 1.046 225 G HN -0.144 nan 8.290 nan 0.000 0.548 226 P HA 0.250 nan 4.420 nan 0.000 0.282 226 P C 1.060 178.252 177.300 -0.180 0.000 1.274 226 P CA -0.163 62.845 63.100 -0.154 0.000 0.770 226 P CB 1.516 33.162 31.700 -0.090 0.000 0.867 227 S N 2.905 118.527 115.700 -0.130 0.000 3.701 227 S HA 0.015 4.483 4.470 -0.003 0.000 0.285 227 S C 0.975 175.509 174.600 -0.110 0.000 1.635 227 S CA 0.401 58.535 58.200 -0.111 0.000 1.364 227 S CB -1.796 61.355 63.200 -0.082 0.000 0.569 227 S HN 0.871 nan 8.310 nan 0.000 0.345 228 G N 0.720 109.462 108.800 -0.098 0.000 2.776 228 G HA2 -0.214 3.744 3.960 -0.003 0.000 0.343 228 G HA3 -0.214 3.744 3.960 -0.003 0.000 0.343 228 G C -0.328 174.481 174.900 -0.152 0.000 0.103 228 G CA 0.530 45.562 45.100 -0.114 0.000 1.240 228 G HN 0.870 nan 8.290 nan 0.000 0.553 229 Q N 1.311 121.018 119.800 -0.155 0.000 2.332 229 Q HA 0.448 4.786 4.340 -0.003 0.000 0.263 229 Q C 1.525 177.314 176.000 -0.351 0.000 0.979 229 Q CA 0.826 56.507 55.803 -0.205 0.000 0.885 229 Q CB 0.315 28.972 28.738 -0.134 0.000 1.218 229 Q HN 2.025 nan 8.270 nan 0.000 0.405 230 G N 2.094 110.480 108.800 -0.690 0.000 2.162 230 G HA2 -0.235 3.723 3.960 -0.003 0.000 0.260 230 G HA3 -0.235 3.723 3.960 -0.003 0.000 0.260 230 G C -0.251 174.122 174.900 -0.878 0.000 0.976 230 G CA 0.190 44.555 45.100 -1.226 0.000 0.655 230 G HN 0.524 nan 8.290 nan 0.000 0.533 231 V N 2.268 121.895 119.914 -0.479 0.000 2.350 231 V HA 0.584 4.702 4.120 -0.003 0.000 0.276 231 V C 0.927 177.009 176.094 -0.021 0.000 1.028 231 V CA -0.172 62.027 62.300 -0.167 0.000 0.860 231 V CB 1.332 33.094 31.823 -0.103 0.000 0.990 231 V HN 0.795 nan 8.190 nan 0.000 0.453 232 S N 4.871 120.666 115.700 0.158 0.000 2.564 232 S HA 0.281 4.749 4.470 -0.003 0.000 0.278 232 S C 1.041 175.699 174.600 0.096 0.000 1.333 232 S CA -0.490 57.861 58.200 0.251 0.000 1.048 232 S CB 1.317 64.682 63.200 0.275 0.000 0.900 232 S HN 0.737 nan 8.310 nan 0.000 0.505 233 R N 1.338 121.822 120.500 -0.026 0.000 2.075 233 R HA 0.004 4.342 4.340 -0.003 0.000 0.232 233 R C 0.052 176.434 176.300 0.136 0.000 1.126 233 R CA 1.226 57.328 56.100 0.004 0.000 0.963 233 R CB 0.089 30.300 30.300 -0.148 0.000 0.858 233 R HN 0.848 nan 8.270 nan 0.000 0.435 234 E N -0.587 119.737 120.200 0.207 0.000 2.340 234 E HA 0.267 4.615 4.350 -0.003 0.000 0.273 234 E C -1.403 175.379 176.600 0.303 0.000 0.891 234 E CA -0.865 55.711 56.400 0.293 0.000 0.757 234 E CB 2.538 32.461 29.700 0.371 0.000 1.231 234 E HN 0.052 nan 8.360 nan 0.000 0.439 235 R N 3.008 123.666 120.500 0.263 0.000 2.575 235 R HA 0.374 4.712 4.340 -0.003 0.000 0.293 235 R C -1.181 175.224 176.300 0.174 0.000 0.983 235 R CA -0.606 55.611 56.100 0.195 0.000 0.887 235 R CB 0.868 31.256 30.300 0.148 0.000 1.184 235 R HN 0.394 nan 8.270 nan 0.000 0.445 236 I N 4.577 125.124 120.570 -0.038 0.000 2.301 236 I HA 0.196 4.365 4.170 -0.003 0.000 0.292 236 I C -0.513 175.480 176.117 -0.207 0.000 1.046 236 I CA -0.620 60.571 61.300 -0.181 0.000 1.282 236 I CB 0.144 37.740 38.000 -0.674 0.000 1.409 236 I HN 0.574 nan 8.210 nan 0.000 0.484 237 W N 5.498 126.675 121.300 -0.206 0.000 2.365 237 W HA 0.325 4.983 4.660 -0.003 0.000 0.316 237 W C 0.160 176.432 176.519 -0.412 0.000 1.164 237 W CA -0.094 57.135 57.345 -0.193 0.000 1.204 237 W CB 0.319 29.701 29.460 -0.130 0.000 1.213 237 W HN 0.379 nan 8.180 nan 0.000 0.539 238 H N 3.522 122.444 119.070 -0.247 0.000 2.551 238 H HA 0.514 5.068 4.556 -0.003 0.000 0.321 238 H C -0.469 174.661 175.328 -0.330 0.000 1.028 238 H CA -0.575 55.201 56.048 -0.453 0.000 1.215 238 H CB 0.666 30.146 29.762 -0.470 0.000 1.414 238 H HN 0.192 nan 8.280 nan 0.000 0.480 239 I N 2.814 123.186 120.570 -0.330 0.000 2.439 239 I HA 0.292 4.460 4.170 -0.003 0.000 0.285 239 I C -0.218 175.766 176.117 -0.222 0.000 1.021 239 I CA -0.851 60.352 61.300 -0.161 0.000 1.091 239 I CB 1.511 39.458 38.000 -0.089 0.000 1.242 239 I HN 0.295 nan 8.210 nan 0.000 0.439 240 R N 5.799 126.188 120.500 -0.185 0.000 2.215 240 R HA 0.705 5.043 4.340 -0.003 0.000 0.337 240 R C -0.916 175.341 176.300 -0.071 0.000 1.010 240 R CA -0.196 55.830 56.100 -0.123 0.000 0.871 240 R CB 0.882 30.991 30.300 -0.318 0.000 1.134 240 R HN 0.707 nan 8.270 nan 0.000 0.477 241 A N 4.007 126.826 122.820 -0.001 0.000 2.324 241 A HA 0.370 4.688 4.320 -0.003 0.000 0.330 241 A C 0.246 177.867 177.584 0.063 0.000 1.165 241 A CA -0.729 51.326 52.037 0.030 0.000 0.813 241 A CB 1.074 20.078 19.000 0.007 0.000 1.197 241 A HN 0.871 nan 8.150 nan 0.000 0.484 242 K N 0.176 120.628 120.400 0.086 0.000 2.025 242 K HA -0.053 4.266 4.320 -0.003 0.000 0.207 242 K C 0.030 176.686 176.600 0.093 0.000 1.049 242 K CA 1.134 57.480 56.287 0.099 0.000 0.933 242 K CB 0.004 32.576 32.500 0.119 0.000 0.714 242 K HN 0.667 nan 8.250 nan 0.000 0.438 243 Q N 0.206 120.059 119.800 0.089 0.000 2.372 243 Q HA 0.375 4.713 4.340 -0.003 0.000 0.273 243 Q C -1.259 174.794 176.000 0.088 0.000 1.078 243 Q CA -0.547 55.330 55.803 0.123 0.000 0.806 243 Q CB 2.667 31.487 28.738 0.136 0.000 1.332 243 Q HN -0.140 nan 8.270 nan 0.000 0.435 244 V N 1.731 121.716 119.914 0.118 0.000 2.540 244 V HA 0.499 4.617 4.120 -0.003 0.000 0.302 244 V C -0.378 175.786 176.094 0.117 0.000 1.035 244 V CA -0.778 61.562 62.300 0.066 0.000 0.873 244 V CB 2.188 34.026 31.823 0.025 0.000 0.992 244 V HN 0.512 nan 8.190 nan 0.000 0.428 245 V N 6.232 126.171 119.914 0.041 0.000 2.370 245 V HA 0.456 4.574 4.120 -0.003 0.000 0.283 245 V C -0.156 175.931 176.094 -0.011 0.000 1.023 245 V CA -0.471 61.850 62.300 0.034 0.000 0.857 245 V CB 1.547 33.354 31.823 -0.027 0.000 0.985 245 V HN 0.610 nan 8.190 nan 0.000 0.443 246 L N 4.465 125.683 121.223 -0.008 0.000 2.275 246 L HA 0.743 5.082 4.340 -0.003 0.000 0.288 246 L C 0.438 177.272 176.870 -0.060 0.000 1.046 246 L CA -0.295 54.515 54.840 -0.050 0.000 0.805 246 L CB 1.562 43.592 42.059 -0.048 0.000 1.193 246 L HN 0.757 nan 8.230 nan 0.000 0.426 247 A N 0.977 123.750 122.820 -0.078 0.000 3.365 247 A HA 0.275 4.594 4.320 -0.003 0.000 0.258 247 A C 0.702 178.233 177.584 -0.088 0.000 0.964 247 A CA -0.240 51.752 52.037 -0.074 0.000 0.988 247 A CB -0.079 18.885 19.000 -0.060 0.000 1.193 247 A HN 0.732 nan 8.150 nan 0.000 0.508 248 T N -2.476 112.011 114.554 -0.112 0.000 3.107 248 T HA 0.524 4.872 4.350 -0.003 0.000 0.249 248 T C 1.108 175.729 174.700 -0.132 0.000 1.096 248 T CA 1.147 63.159 62.100 -0.146 0.000 1.012 248 T CB -0.353 68.387 68.868 -0.213 0.000 0.977 248 T HN 2.234 nan 8.240 nan 0.000 0.527 249 A N 0.927 123.686 122.820 -0.101 0.000 6.215 249 A HA 0.323 4.641 4.320 -0.003 0.000 0.239 249 A C 0.222 177.757 177.584 -0.083 0.000 2.274 249 A CA -0.271 51.716 52.037 -0.084 0.000 0.700 249 A CB -1.507 17.457 19.000 -0.060 0.000 0.946 249 A HN 1.944 nan 8.150 nan 0.000 0.354 250 A N -0.904 121.898 122.820 -0.030 0.000 2.374 250 A HA 0.705 5.023 4.320 -0.003 0.000 0.305 250 A C -0.498 177.207 177.584 0.201 0.000 1.053 250 A CA 0.040 52.113 52.037 0.061 0.000 0.726 250 A CB 0.640 19.717 19.000 0.128 0.000 1.229 250 A HN 1.210 nan 8.150 nan 0.000 0.431 251 H N 0.970 120.205 119.070 0.275 0.000 2.683 251 H HA 0.226 4.781 4.556 -0.003 0.000 0.339 251 H C 0.380 175.862 175.328 0.257 0.000 1.081 251 H CA -0.012 56.191 56.048 0.259 0.000 1.432 251 H CB 0.984 30.884 29.762 0.230 0.000 1.462 251 H HN 0.834 nan 8.280 nan 0.000 0.557 252 E N 2.369 122.745 120.200 0.294 0.000 2.422 252 E HA -0.003 4.345 4.350 -0.003 0.000 0.260 252 E C -0.109 176.475 176.600 -0.026 0.000 1.108 252 E CA -0.369 55.949 56.400 -0.137 0.000 0.943 252 E CB 0.625 30.226 29.700 -0.165 0.000 0.961 252 E HN 0.630 nan 8.360 nan 0.000 0.443 253 R N 2.780 123.194 120.500 -0.144 0.000 2.795 253 R HA 0.571 4.909 4.340 -0.003 0.000 0.275 253 R C -2.763 173.574 176.300 0.061 0.000 0.981 253 R CA -2.016 54.115 56.100 0.051 0.000 0.917 253 R CB 1.774 32.154 30.300 0.133 0.000 1.202 253 R HN 0.271 nan 8.270 nan 0.000 0.469 254 P HA 0.256 nan 4.420 nan 0.000 0.277 254 P C -0.503 176.925 177.300 0.213 0.000 1.271 254 P CA -0.491 62.755 63.100 0.243 0.000 0.795 254 P CB 0.933 32.842 31.700 0.347 0.000 1.101 255 I N -0.285 120.447 120.570 0.270 0.000 2.441 255 I HA 0.221 4.389 4.170 -0.003 0.000 0.295 255 I C -0.016 176.294 176.117 0.323 0.000 0.994 255 I CA -1.288 60.199 61.300 0.310 0.000 1.144 255 I CB 2.062 40.275 38.000 0.355 0.000 1.314 255 I HN -0.047 nan 8.210 nan 0.000 0.445 256 V N 7.243 127.333 119.914 0.293 0.000 2.356 256 V HA 0.277 4.395 4.120 -0.003 0.000 0.258 256 V C -0.359 175.924 176.094 0.316 0.000 1.065 256 V CA -0.042 62.399 62.300 0.235 0.000 0.935 256 V CB -0.689 31.299 31.823 0.275 0.000 1.061 256 V HN 0.556 nan 8.190 nan 0.000 0.484 257 F N 1.332 121.290 119.950 0.012 0.000 2.685 257 F HA 0.677 5.202 4.527 -0.003 0.000 0.315 257 F C -0.298 175.154 175.800 -0.579 0.000 1.126 257 F CA -1.659 56.192 58.000 -0.248 0.000 0.950 257 F CB 1.421 40.385 39.000 -0.060 0.000 1.360 257 F HN 0.298 nan 8.300 nan 0.000 0.469 258 E N 1.404 121.280 120.200 -0.541 0.000 2.415 258 E HA 0.106 4.455 4.350 -0.003 0.000 0.263 258 E C -0.255 176.363 176.600 0.029 0.000 0.995 258 E CA 0.327 56.544 56.400 -0.305 0.000 0.915 258 E CB 0.061 29.760 29.700 -0.002 0.000 0.951 258 E HN 0.703 nan 8.360 nan 0.000 0.449 259 N N 3.053 121.812 118.700 0.099 0.000 2.727 259 N HA -0.221 4.517 4.740 -0.003 0.000 0.249 259 N C -0.458 175.053 175.510 0.002 0.000 1.048 259 N CA 1.016 54.144 53.050 0.129 0.000 0.714 259 N CB -1.430 37.123 38.487 0.110 0.000 0.959 259 N HN 0.623 nan 8.380 nan 0.000 0.544 260 N N 0.061 118.584 118.700 -0.295 0.000 2.362 260 N HA -0.048 4.690 4.740 -0.003 0.000 0.204 260 N C 0.439 175.841 175.510 -0.180 0.000 1.166 260 N CA 0.298 52.972 53.050 -0.627 0.000 0.831 260 N CB 0.123 37.750 38.487 -1.433 0.000 1.008 260 N HN 0.391 nan 8.380 nan 0.000 0.472 261 D N -0.714 119.624 120.400 -0.102 0.000 2.398 261 D HA 0.023 4.661 4.640 -0.003 0.000 0.210 261 D C 0.038 176.257 176.300 -0.136 0.000 1.094 261 D CA -0.332 53.527 54.000 -0.236 0.000 0.839 261 D CB 0.111 40.507 40.800 -0.673 0.000 0.963 261 D HN 0.053 nan 8.370 nan 0.000 0.506 262 R N 1.403 121.883 120.500 -0.033 0.000 2.543 262 R HA 0.274 4.612 4.340 -0.003 0.000 0.277 262 R C -2.356 173.956 176.300 0.020 0.000 1.074 262 R CA -1.458 54.634 56.100 -0.013 0.000 1.076 262 R CB -0.118 30.194 30.300 0.019 0.000 0.993 262 R HN 0.017 nan 8.270 nan 0.000 0.459 263 P HA -0.089 nan 4.420 nan 0.000 0.261 263 P C 0.645 177.960 177.300 0.025 0.000 1.183 263 P CA 1.082 64.188 63.100 0.011 0.000 0.761 263 P CB 0.518 32.209 31.700 -0.015 0.000 0.785 264 G N 3.076 111.897 108.800 0.035 0.000 2.284 264 G HA2 -0.200 3.758 3.960 -0.003 0.000 0.216 264 G HA3 -0.200 3.758 3.960 -0.003 0.000 0.216 264 G C 0.128 175.059 174.900 0.050 0.000 1.009 264 G CA -0.463 44.655 45.100 0.029 0.000 0.625 264 G HN 0.493 nan 8.290 nan 0.000 0.501 265 I N 2.390 123.017 120.570 0.096 0.000 2.452 265 I HA 0.513 4.682 4.170 -0.003 0.000 0.287 265 I C 0.576 176.741 176.117 0.080 0.000 1.079 265 I CA 0.533 61.912 61.300 0.132 0.000 1.387 265 I CB 0.644 38.773 38.000 0.215 0.000 1.404 265 I HN 0.180 nan 8.210 nan 0.000 0.522 266 M N 6.425 125.956 119.600 -0.114 0.000 2.531 266 M HA 0.429 4.908 4.480 -0.003 0.000 0.286 266 M C -0.814 175.195 176.300 -0.485 0.000 1.232 266 M CA -0.820 54.220 55.300 -0.434 0.000 0.877 266 M CB 2.431 34.925 32.600 -0.176 0.000 1.726 266 M HN 0.262 nan 8.290 nan 0.000 0.463 267 L N 1.702 122.471 121.223 -0.756 0.000 2.578 267 L HA -0.005 4.334 4.340 -0.003 0.000 0.279 267 L C 1.362 178.119 176.870 -0.189 0.000 1.227 267 L CA -0.071 54.530 54.840 -0.398 0.000 0.900 267 L CB 0.325 42.183 42.059 -0.334 0.000 1.144 267 L HN 1.054 nan 8.230 nan 0.000 0.496 268 A N 3.729 126.477 122.820 -0.121 0.000 1.930 268 A HA -0.071 4.247 4.320 -0.003 0.000 0.217 268 A C 2.151 179.722 177.584 -0.022 0.000 1.175 268 A CA 1.471 53.469 52.037 -0.064 0.000 0.627 268 A CB -0.755 18.207 19.000 -0.064 0.000 0.815 268 A HN 0.951 nan 8.150 nan 0.000 0.443 269 G N -0.779 108.026 108.800 0.009 0.000 2.470 269 G HA2 -0.098 3.861 3.960 -0.003 0.000 0.220 269 G HA3 -0.098 3.861 3.960 -0.003 0.000 0.220 269 G C 1.665 176.564 174.900 -0.002 0.000 1.121 269 G CA 1.271 46.398 45.100 0.046 0.000 0.766 269 G HN 0.491 nan 8.290 nan 0.000 0.553 270 S N -0.194 115.485 115.700 -0.034 0.000 2.395 270 S HA -0.040 4.428 4.470 -0.003 0.000 0.225 270 S C 2.486 177.093 174.600 0.011 0.000 1.027 270 S CA 0.756 58.911 58.200 -0.075 0.000 0.965 270 S CB -0.023 63.151 63.200 -0.044 0.000 0.812 270 S HN 0.197 nan 8.310 nan 0.000 0.482 271 V N 2.107 122.066 119.914 0.076 0.000 2.332 271 V HA -0.186 3.933 4.120 -0.003 0.000 0.248 271 V C 2.522 178.684 176.094 0.113 0.000 1.055 271 V CA 1.782 64.168 62.300 0.144 0.000 1.038 271 V CB -0.593 31.266 31.823 0.061 0.000 0.651 271 V HN 0.385 nan 8.190 nan 0.000 0.450 272 R N -0.239 120.286 120.500 0.042 0.000 2.075 272 R HA -0.151 4.187 4.340 -0.003 0.000 0.232 272 R C 2.686 178.991 176.300 0.009 0.000 1.126 272 R CA 1.609 57.725 56.100 0.027 0.000 0.963 272 R CB -0.415 29.891 30.300 0.009 0.000 0.858 272 R HN 0.497 nan 8.270 nan 0.000 0.435 273 S N -0.328 115.342 115.700 -0.050 0.000 2.365 273 S HA -0.199 4.269 4.470 -0.003 0.000 0.225 273 S C 1.783 176.363 174.600 -0.033 0.000 1.039 273 S CA 1.365 59.496 58.200 -0.116 0.000 1.033 273 S CB -0.355 62.716 63.200 -0.216 0.000 0.887 273 S HN 0.444 nan 8.310 nan 0.000 0.447 274 Y N 1.102 121.534 120.300 0.221 0.000 2.224 274 Y HA -0.023 4.525 4.550 -0.003 0.000 0.289 274 Y C 2.225 178.248 175.900 0.206 0.000 1.146 274 Y CA 1.052 59.337 58.100 0.310 0.000 1.182 274 Y CB -0.851 37.705 38.460 0.159 0.000 0.983 274 Y HN 0.296 nan 8.280 nan 0.000 0.524 275 L N 0.241 121.608 121.223 0.240 0.000 1.976 275 L HA -0.222 4.116 4.340 -0.003 0.000 0.209 275 L C 1.890 178.815 176.870 0.092 0.000 1.071 275 L CA 2.009 56.937 54.840 0.146 0.000 0.746 275 L CB -0.670 41.445 42.059 0.094 0.000 0.890 275 L HN 0.122 nan 8.230 nan 0.000 0.432 276 N N -0.980 117.741 118.700 0.034 0.000 2.336 276 N HA -0.070 4.668 4.740 -0.003 0.000 0.177 276 N C 1.953 177.412 175.510 -0.085 0.000 1.018 276 N CA 0.923 53.962 53.050 -0.019 0.000 0.878 276 N CB -0.154 38.314 38.487 -0.033 0.000 0.997 276 N HN 0.344 nan 8.380 nan 0.000 0.433 277 R N -0.541 119.855 120.500 -0.174 0.000 2.140 277 R HA 0.114 4.453 4.340 -0.003 0.000 0.213 277 R C 0.527 176.501 176.300 -0.543 0.000 1.059 277 R CA 0.866 56.697 56.100 -0.448 0.000 1.000 277 R CB 0.133 30.008 30.300 -0.708 0.000 0.910 277 R HN 0.056 nan 8.270 nan 0.000 0.455 278 F N -1.146 118.851 119.950 0.079 0.000 2.706 278 F HA 0.395 4.920 4.527 -0.003 0.000 0.313 278 F C 1.147 177.022 175.800 0.124 0.000 1.096 278 F CA 0.226 58.303 58.000 0.130 0.000 1.219 278 F CB 1.247 40.381 39.000 0.223 0.000 1.051 278 F HN 0.153 nan 8.300 nan 0.000 0.568 279 G N 1.510 110.443 108.800 0.221 0.000 2.225 279 G HA2 -0.245 3.713 3.960 -0.003 0.000 0.267 279 G HA3 -0.245 3.713 3.960 -0.003 0.000 0.267 279 G C -0.253 174.752 174.900 0.176 0.000 1.024 279 G CA 0.323 45.519 45.100 0.160 0.000 0.784 279 G HN 0.200 nan 8.290 nan 0.000 0.507 280 V N 0.278 120.327 119.914 0.225 0.000 2.417 280 V HA 0.515 4.634 4.120 -0.003 0.000 0.291 280 V C 0.754 176.933 176.094 0.142 0.000 1.024 280 V CA -0.951 61.451 62.300 0.170 0.000 0.861 280 V CB 1.783 33.707 31.823 0.168 0.000 0.985 280 V HN 0.387 nan 8.190 nan 0.000 0.436 281 R N 3.118 123.667 120.500 0.082 0.000 2.202 281 R HA 0.485 4.823 4.340 -0.003 0.000 0.334 281 R C 1.131 177.448 176.300 0.028 0.000 1.036 281 R CA 0.133 56.270 56.100 0.062 0.000 0.878 281 R CB 1.321 31.647 30.300 0.044 0.000 1.067 281 R HN 0.899 nan 8.270 nan 0.000 0.457 282 A N 3.301 126.140 122.820 0.032 0.000 2.121 282 A HA 0.110 4.428 4.320 -0.003 0.000 0.218 282 A C 0.820 178.393 177.584 -0.019 0.000 1.154 282 A CA 1.389 53.416 52.037 -0.016 0.000 0.679 282 A CB 0.054 19.062 19.000 0.013 0.000 0.795 282 A HN 0.814 nan 8.150 nan 0.000 0.458 283 G N -3.520 105.280 108.800 0.000 0.000 2.451 283 G HA2 0.398 4.356 3.960 -0.003 0.000 0.292 283 G HA3 0.398 4.356 3.960 -0.003 0.000 0.292 283 G C 0.016 174.921 174.900 0.008 0.000 1.427 283 G CA 0.423 45.523 45.100 -0.001 0.000 0.792 283 G HN 0.005 nan 8.290 nan 0.000 0.498 284 S N -0.889 114.816 115.700 0.009 0.000 2.523 284 S HA 0.255 4.723 4.470 -0.003 0.000 0.217 284 S C 0.620 175.230 174.600 0.016 0.000 0.996 284 S CA 0.321 58.528 58.200 0.013 0.000 0.921 284 S CB 0.034 63.241 63.200 0.011 0.000 0.829 284 S HN 0.351 nan 8.310 nan 0.000 0.495 285 K N 2.160 122.570 120.400 0.017 0.000 2.687 285 K HA 0.319 4.637 4.320 -0.003 0.000 0.197 285 K C -1.490 175.121 176.600 0.018 0.000 1.049 285 K CA -0.297 56.003 56.287 0.022 0.000 1.030 285 K CB 0.901 33.419 32.500 0.031 0.000 1.261 285 K HN 0.072 nan 8.250 nan 0.000 0.565 286 I N 2.368 122.943 120.570 0.009 0.000 2.312 286 I HA 0.262 4.431 4.170 -0.003 0.000 0.291 286 I C 0.735 176.840 176.117 -0.020 0.000 1.031 286 I CA -0.696 60.602 61.300 -0.003 0.000 1.293 286 I CB 0.487 38.483 38.000 -0.006 0.000 1.403 286 I HN 0.415 nan 8.210 nan 0.000 0.484 287 A N 6.924 129.727 122.820 -0.028 0.000 2.293 287 A HA 0.740 5.059 4.320 -0.003 0.000 0.302 287 A C -0.285 177.249 177.584 -0.083 0.000 1.119 287 A CA -0.441 51.553 52.037 -0.073 0.000 0.823 287 A CB 0.980 19.931 19.000 -0.081 0.000 1.097 287 A HN 0.455 nan 8.150 nan 0.000 0.491 288 V N 0.778 120.618 119.914 -0.123 0.000 2.495 288 V HA 0.688 4.806 4.120 -0.003 0.000 0.298 288 V C 0.245 176.249 176.094 -0.150 0.000 1.031 288 V CA -0.233 61.988 62.300 -0.131 0.000 0.871 288 V CB 1.437 33.162 31.823 -0.164 0.000 0.988 288 V HN 1.218 nan 8.190 nan 0.000 0.432 289 A N 2.993 125.737 122.820 -0.128 0.000 2.319 289 A HA 0.852 5.170 4.320 -0.003 0.000 0.310 289 A C -0.339 177.181 177.584 -0.108 0.000 1.152 289 A CA -0.490 51.467 52.037 -0.133 0.000 0.783 289 A CB 1.740 20.648 19.000 -0.152 0.000 1.184 289 A HN 0.752 nan 8.150 nan 0.000 0.474 290 T N 0.170 114.663 114.554 -0.102 0.000 2.900 290 T HA 0.556 4.904 4.350 -0.003 0.000 0.303 290 T C 0.766 175.439 174.700 -0.045 0.000 1.142 290 T CA 0.416 62.471 62.100 -0.075 0.000 1.007 290 T CB 1.467 70.274 68.868 -0.101 0.000 1.156 290 T HN 1.083 nan 8.240 nan 0.000 0.490 291 T N 0.443 114.978 114.554 -0.031 0.000 3.054 291 T HA 0.337 4.685 4.350 -0.003 0.000 0.255 291 T C 0.408 175.128 174.700 0.032 0.000 1.035 291 T CA -0.364 61.721 62.100 -0.025 0.000 0.941 291 T CB -0.386 68.440 68.868 -0.070 0.000 1.026 291 T HN 0.745 nan 8.240 nan 0.000 0.533 292 N N -0.428 118.317 118.700 0.075 0.000 3.179 292 N HA 0.147 4.885 4.740 -0.003 0.000 0.250 292 N C -1.144 174.479 175.510 0.188 0.000 1.507 292 N CA -0.525 52.603 53.050 0.131 0.000 0.883 292 N CB 0.730 39.319 38.487 0.169 0.000 1.435 292 N HN -0.240 nan 8.380 nan 0.000 0.532 293 D N 0.164 120.684 120.400 0.200 0.000 2.348 293 D HA -0.066 4.572 4.640 -0.003 0.000 0.216 293 D C 1.693 178.144 176.300 0.251 0.000 0.970 293 D CA 1.011 55.184 54.000 0.288 0.000 0.889 293 D CB -0.149 40.747 40.800 0.160 0.000 0.912 293 D HN 0.606 nan 8.370 nan 0.000 0.524 294 S N 0.087 115.895 115.700 0.180 0.000 2.442 294 S HA -0.145 4.324 4.470 -0.003 0.000 0.236 294 S C 2.090 176.737 174.600 0.077 0.000 1.007 294 S CA 1.071 59.358 58.200 0.145 0.000 0.965 294 S CB -0.596 62.789 63.200 0.308 0.000 0.773 294 S HN 0.231 nan 8.310 nan 0.000 0.504 295 V N -2.305 117.584 119.914 -0.041 0.000 3.217 295 V HA 0.128 4.246 4.120 -0.003 0.000 0.264 295 V C 1.913 177.854 176.094 -0.255 0.000 1.135 295 V CA 0.566 62.755 62.300 -0.185 0.000 1.142 295 V CB -1.570 30.059 31.823 -0.323 0.000 0.754 295 V HN 0.399 nan 8.190 nan 0.000 0.484 296 Y N 1.240 121.546 120.300 0.010 0.000 2.293 296 Y HA 0.111 4.659 4.550 -0.003 0.000 0.291 296 Y C 0.285 176.182 175.900 -0.004 0.000 1.137 296 Y CA 1.440 59.539 58.100 -0.002 0.000 1.202 296 Y CB -1.974 36.481 38.460 -0.007 0.000 0.990 296 Y HN 0.398 nan 8.280 nan 0.000 0.537 297 P HA -0.181 nan 4.420 nan 0.000 0.215 297 P C 1.813 179.127 177.300 0.022 0.000 1.157 297 P CA 1.065 64.195 63.100 0.049 0.000 0.863 297 P CB -0.050 31.667 31.700 0.028 0.000 0.787 298 L N -0.062 121.162 121.223 0.001 0.000 1.997 298 L HA -0.205 4.133 4.340 -0.003 0.000 0.216 298 L C 2.163 179.027 176.870 -0.011 0.000 1.074 298 L CA 2.080 56.914 54.840 -0.010 0.000 0.763 298 L CB -1.358 40.685 42.059 -0.027 0.000 0.890 298 L HN -0.175 nan 8.230 nan 0.000 0.434 299 V N -0.932 118.965 119.914 -0.029 0.000 2.287 299 V HA -0.317 3.802 4.120 -0.003 0.000 0.248 299 V C 2.795 178.902 176.094 0.023 0.000 1.053 299 V CA 1.996 64.287 62.300 -0.015 0.000 1.027 299 V CB -0.929 30.883 31.823 -0.018 0.000 0.646 299 V HN 0.709 nan 8.190 nan 0.000 0.447 300 S N -0.466 115.260 115.700 0.043 0.000 2.368 300 S HA -0.236 4.232 4.470 -0.003 0.000 0.224 300 S C 1.922 176.536 174.600 0.023 0.000 1.029 300 S CA 1.884 60.106 58.200 0.038 0.000 0.988 300 S CB -0.302 62.925 63.200 0.044 0.000 0.838 300 S HN 0.728 nan 8.310 nan 0.000 0.462 301 E N 0.458 120.669 120.200 0.019 0.000 2.204 301 E HA -0.044 4.304 4.350 -0.003 0.000 0.195 301 E C 1.856 178.466 176.600 0.018 0.000 0.990 301 E CA 1.010 57.419 56.400 0.016 0.000 0.821 301 E CB -0.183 29.525 29.700 0.014 0.000 0.750 301 E HN 0.504 nan 8.360 nan 0.000 0.477 302 L N 0.115 121.348 121.223 0.017 0.000 2.395 302 L HA 0.009 4.347 4.340 -0.003 0.000 0.218 302 L C 2.355 179.235 176.870 0.017 0.000 1.130 302 L CA 0.177 55.027 54.840 0.017 0.000 0.826 302 L CB -0.216 41.850 42.059 0.012 0.000 0.941 302 L HN 0.148 nan 8.230 nan 0.000 0.451 303 A N 0.544 123.375 122.820 0.017 0.000 1.883 303 A HA -0.230 4.089 4.320 -0.003 0.000 0.217 303 A C 2.540 180.133 177.584 0.016 0.000 1.186 303 A CA 1.858 53.905 52.037 0.017 0.000 0.624 303 A CB -0.607 18.404 19.000 0.018 0.000 0.822 303 A HN 0.387 nan 8.150 nan 0.000 0.444 304 A N 0.026 122.855 122.820 0.016 0.000 1.972 304 A HA -0.025 4.293 4.320 -0.003 0.000 0.219 304 A C 2.194 179.788 177.584 0.016 0.000 1.169 304 A CA 2.012 54.057 52.037 0.015 0.000 0.635 304 A CB -0.699 18.309 19.000 0.014 0.000 0.810 304 A HN 1.061 nan 8.150 nan 0.000 0.446 305 S N -2.482 113.229 115.700 0.019 0.000 2.614 305 S HA 0.463 4.932 4.470 -0.003 0.000 0.230 305 S C 1.028 175.640 174.600 0.019 0.000 0.952 305 S CA 0.764 58.976 58.200 0.020 0.000 0.949 305 S CB 0.051 63.266 63.200 0.025 0.000 0.786 305 S HN 1.704 nan 8.310 nan 0.000 0.478 306 G N -0.429 108.382 108.800 0.018 0.000 2.273 306 G HA2 0.337 4.295 3.960 -0.003 0.000 0.162 306 G HA3 0.337 4.295 3.960 -0.003 0.000 0.162 306 G C 0.814 175.724 174.900 0.017 0.000 1.006 306 G CA 0.019 45.130 45.100 0.017 0.000 0.704 306 G HN 1.665 nan 8.290 nan 0.000 0.487 307 G N -1.468 107.341 108.800 0.016 0.000 2.598 307 G HA2 0.297 4.255 3.960 -0.003 0.000 0.244 307 G HA3 0.297 4.255 3.960 -0.003 0.000 0.244 307 G C 0.407 175.313 174.900 0.009 0.000 1.302 307 G CA 1.247 46.355 45.100 0.014 0.000 0.903 307 G HN 2.081 nan 8.290 nan 0.000 0.575 308 V N -3.284 116.632 119.914 0.004 0.000 3.040 308 V HA 0.782 4.900 4.120 -0.003 0.000 0.312 308 V C 1.268 177.358 176.094 -0.005 0.000 1.115 308 V CA 0.070 62.365 62.300 -0.009 0.000 0.998 308 V CB 1.228 33.033 31.823 -0.030 0.000 1.042 308 V HN 1.389 nan 8.190 nan 0.000 0.433 309 V N 1.267 121.175 119.914 -0.010 0.000 2.307 309 V HA 0.341 4.459 4.120 -0.003 0.000 0.245 309 V C 1.127 177.193 176.094 -0.046 0.000 1.045 309 V CA 2.336 64.643 62.300 0.012 0.000 1.024 309 V CB -0.363 31.481 31.823 0.035 0.000 0.651 309 V HN 1.563 nan 8.190 nan 0.000 0.449 310 A N -1.678 121.060 122.820 -0.136 0.000 2.583 310 A HA 0.605 4.923 4.320 -0.003 0.000 0.292 310 A C -1.448 176.020 177.584 -0.193 0.000 1.045 310 A CA -0.439 51.472 52.037 -0.209 0.000 0.672 310 A CB 1.206 19.901 19.000 -0.508 0.000 1.283 310 A HN -0.027 nan 8.150 nan 0.000 0.419 311 V N 2.423 122.249 119.914 -0.146 0.000 2.370 311 V HA 0.431 4.549 4.120 -0.003 0.000 0.283 311 V C -0.534 175.477 176.094 -0.139 0.000 1.023 311 V CA -0.487 61.733 62.300 -0.133 0.000 0.857 311 V CB 1.274 33.062 31.823 -0.059 0.000 0.985 311 V HN 0.605 nan 8.190 nan 0.000 0.443 312 I N 4.043 124.513 120.570 -0.166 0.000 2.307 312 I HA 0.377 4.545 4.170 -0.003 0.000 0.287 312 I C -0.072 175.987 176.117 -0.097 0.000 1.054 312 I CA -0.250 60.956 61.300 -0.156 0.000 1.218 312 I CB 0.878 38.758 38.000 -0.201 0.000 1.398 312 I HN 0.565 nan 8.210 nan 0.000 0.475 313 D N 4.907 125.282 120.400 -0.043 0.000 2.280 313 D HA 0.433 5.071 4.640 -0.003 0.000 0.236 313 D C 0.823 177.113 176.300 -0.018 0.000 1.082 313 D CA -0.312 53.688 54.000 0.001 0.000 0.834 313 D CB 2.316 43.167 40.800 0.084 0.000 1.100 313 D HN 0.562 nan 8.370 nan 0.000 0.486 314 A N 4.924 127.726 122.820 -0.030 0.000 2.066 314 A HA -0.049 4.269 4.320 -0.003 0.000 0.218 314 A C 1.229 178.797 177.584 -0.025 0.000 1.157 314 A CA 0.599 52.612 52.037 -0.040 0.000 0.670 314 A CB -0.009 18.954 19.000 -0.062 0.000 0.804 314 A HN 0.547 nan 8.150 nan 0.000 0.453 315 R N 0.137 120.633 120.500 -0.008 0.000 2.594 315 R HA 0.142 4.480 4.340 -0.003 0.000 0.272 315 R C 0.793 177.093 176.300 -0.001 0.000 1.074 315 R CA -0.324 55.775 56.100 -0.001 0.000 1.105 315 R CB 0.378 30.688 30.300 0.016 0.000 1.008 315 R HN 0.360 nan 8.270 nan 0.000 0.472 316 Q N 1.352 121.151 119.800 -0.002 0.000 2.172 316 Q HA -0.047 4.291 4.340 -0.003 0.000 0.200 316 Q C -0.103 175.895 176.000 -0.002 0.000 0.964 316 Q CA 1.392 57.194 55.803 -0.002 0.000 0.855 316 Q CB -0.001 28.737 28.738 -0.000 0.000 0.918 316 Q HN 0.565 nan 8.270 nan 0.000 0.444 317 N N -0.588 118.111 118.700 -0.003 0.000 2.328 317 N HA 0.419 5.157 4.740 -0.003 0.000 0.299 317 N C -0.908 174.592 175.510 -0.016 0.000 1.179 317 N CA -0.619 52.425 53.050 -0.009 0.000 0.793 317 N CB 2.019 40.501 38.487 -0.009 0.000 1.366 317 N HN -0.089 nan 8.380 nan 0.000 0.493 318 I N 1.664 122.217 120.570 -0.029 0.000 2.517 318 I HA 0.027 4.195 4.170 -0.003 0.000 0.285 318 I C 0.898 176.974 176.117 -0.067 0.000 1.106 318 I CA 0.027 61.295 61.300 -0.054 0.000 1.402 318 I CB 0.322 38.286 38.000 -0.060 0.000 1.399 318 I HN 0.585 nan 8.210 nan 0.000 0.535 319 S N 5.298 120.944 115.700 -0.090 0.000 2.634 319 S HA 0.404 4.872 4.470 -0.003 0.000 0.261 319 S C 1.263 175.787 174.600 -0.128 0.000 1.271 319 S CA -0.169 57.978 58.200 -0.090 0.000 0.985 319 S CB 1.551 64.705 63.200 -0.075 0.000 0.968 319 S HN 0.693 nan 8.310 nan 0.000 0.568 320 A N 1.386 124.145 122.820 -0.101 0.000 1.883 320 A HA 0.121 4.439 4.320 -0.003 0.000 0.217 320 A C 2.440 179.933 177.584 -0.151 0.000 1.186 320 A CA 1.999 53.974 52.037 -0.104 0.000 0.624 320 A CB -1.790 17.167 19.000 -0.071 0.000 0.822 320 A HN 1.382 nan 8.150 nan 0.000 0.444 321 A N -0.191 122.525 122.820 -0.173 0.000 1.902 321 A HA 0.155 4.473 4.320 -0.003 0.000 0.217 321 A C 2.498 179.753 177.584 -0.549 0.000 1.181 321 A CA 2.116 54.011 52.037 -0.237 0.000 0.623 321 A CB -1.051 17.878 19.000 -0.118 0.000 0.818 321 A HN 1.143 nan 8.150 nan 0.000 0.443 322 A N -0.215 122.140 122.820 -0.775 0.000 2.019 322 A HA 0.160 4.478 4.320 -0.003 0.000 0.219 322 A C 2.408 179.723 177.584 -0.449 0.000 1.164 322 A CA 1.907 53.302 52.037 -1.069 0.000 0.644 322 A CB -0.856 17.736 19.000 -0.680 0.000 0.805 322 A HN 1.072 nan 8.150 nan 0.000 0.449 323 A N -1.047 121.609 122.820 -0.273 0.000 1.972 323 A HA -0.171 4.147 4.320 -0.003 0.000 0.219 323 A C 2.092 179.606 177.584 -0.116 0.000 1.169 323 A CA 1.611 53.559 52.037 -0.148 0.000 0.635 323 A CB -0.372 18.563 19.000 -0.108 0.000 0.810 323 A HN 0.498 nan 8.150 nan 0.000 0.446 324 Q N -0.320 119.400 119.800 -0.133 0.000 2.050 324 Q HA -0.106 4.232 4.340 -0.003 0.000 0.202 324 Q C 2.472 178.447 176.000 -0.042 0.000 0.980 324 Q CA 1.639 57.397 55.803 -0.075 0.000 0.840 324 Q CB -0.939 27.761 28.738 -0.063 0.000 0.898 324 Q HN 0.643 nan 8.270 nan 0.000 0.424 325 A N 0.618 123.410 122.820 -0.047 0.000 1.883 325 A HA -0.168 4.151 4.320 -0.003 0.000 0.217 325 A C 2.482 180.075 177.584 0.014 0.000 1.186 325 A CA 1.925 53.985 52.037 0.039 0.000 0.624 325 A CB -0.896 18.208 19.000 0.173 0.000 0.822 325 A HN 0.212 nan 8.150 nan 0.000 0.444 326 V N 0.649 120.549 119.914 -0.023 0.000 2.287 326 V HA -0.266 3.853 4.120 -0.003 0.000 0.248 326 V C 2.859 178.947 176.094 -0.010 0.000 1.053 326 V CA 2.507 64.799 62.300 -0.014 0.000 1.027 326 V CB -1.541 30.264 31.823 -0.030 0.000 0.646 326 V HN 0.813 nan 8.190 nan 0.000 0.447 327 T N -2.334 112.209 114.554 -0.019 0.000 2.995 327 T HA -0.123 4.225 4.350 -0.003 0.000 0.269 327 T C 1.291 175.990 174.700 -0.003 0.000 1.091 327 T CA 1.123 63.216 62.100 -0.012 0.000 1.128 327 T CB -0.353 68.505 68.868 -0.017 0.000 0.891 327 T HN 0.395 nan 8.240 nan 0.000 0.492 328 D N 1.473 121.875 120.400 0.003 0.000 2.363 328 D HA 0.208 4.846 4.640 -0.003 0.000 0.220 328 D C 1.715 178.023 176.300 0.014 0.000 0.994 328 D CA 0.919 54.926 54.000 0.011 0.000 0.890 328 D CB -0.376 40.436 40.800 0.019 0.000 0.906 328 D HN 0.631 nan 8.370 nan 0.000 0.530 329 G N -0.120 108.688 108.800 0.014 0.000 2.141 329 G HA2 -0.256 3.702 3.960 -0.003 0.000 0.231 329 G HA3 -0.256 3.702 3.960 -0.003 0.000 0.231 329 G C 0.334 175.247 174.900 0.023 0.000 0.984 329 G CA 0.100 45.210 45.100 0.016 0.000 0.660 329 G HN 0.267 nan 8.290 nan 0.000 0.525 330 V N 1.223 121.154 119.914 0.029 0.000 2.775 330 V HA 0.452 4.570 4.120 -0.003 0.000 0.299 330 V C 1.167 177.279 176.094 0.030 0.000 1.062 330 V CA 0.510 62.830 62.300 0.034 0.000 1.063 330 V CB 1.475 33.331 31.823 0.055 0.000 0.994 330 V HN 0.317 nan 8.190 nan 0.000 0.483 331 T N 4.444 119.010 114.554 0.021 0.000 2.727 331 T HA 0.362 4.711 4.350 -0.003 0.000 0.295 331 T C -0.217 174.479 174.700 -0.005 0.000 0.915 331 T CA -0.106 62.003 62.100 0.016 0.000 1.066 331 T CB 0.451 69.333 68.868 0.023 0.000 0.891 331 T HN 0.389 nan 8.240 nan 0.000 0.516 332 V N 5.523 125.444 119.914 0.011 0.000 2.417 332 V HA 0.404 4.522 4.120 -0.003 0.000 0.291 332 V C -0.553 175.539 176.094 -0.004 0.000 1.024 332 V CA -0.987 61.323 62.300 0.016 0.000 0.861 332 V CB 1.480 33.339 31.823 0.059 0.000 0.985 332 V HN 0.575 nan 8.190 nan 0.000 0.436 333 L N 5.298 126.500 121.223 -0.035 0.000 2.280 333 L HA 0.580 4.918 4.340 -0.003 0.000 0.287 333 L C 0.690 177.549 176.870 -0.018 0.000 1.023 333 L CA 0.154 54.977 54.840 -0.029 0.000 0.819 333 L CB 1.569 43.591 42.059 -0.062 0.000 1.212 333 L HN 0.879 nan 8.230 nan 0.000 0.420 334 T N -1.381 113.171 114.554 -0.003 0.000 2.902 334 T HA 0.592 4.940 4.350 -0.003 0.000 0.280 334 T C 1.033 175.730 174.700 -0.005 0.000 0.992 334 T CA -0.165 61.935 62.100 -0.001 0.000 1.015 334 T CB 1.485 70.354 68.868 0.002 0.000 1.044 334 T HN 0.982 nan 8.240 nan 0.000 0.520 335 G N 0.666 109.461 108.800 -0.007 0.000 2.203 335 G HA2 -0.195 3.764 3.960 -0.003 0.000 0.263 335 G HA3 -0.195 3.764 3.960 -0.003 0.000 0.263 335 G C 0.124 175.015 174.900 -0.015 0.000 1.012 335 G CA 0.324 45.419 45.100 -0.009 0.000 0.749 335 G HN 1.032 nan 8.290 nan 0.000 0.512 336 S N -1.626 114.058 115.700 -0.027 0.000 2.599 336 S HA 0.852 5.320 4.470 -0.003 0.000 0.294 336 S C -0.037 174.524 174.600 -0.066 0.000 1.094 336 S CA -0.158 58.020 58.200 -0.037 0.000 0.931 336 S CB 2.949 66.128 63.200 -0.035 0.000 1.093 336 S HN 1.534 nan 8.310 nan 0.000 0.488 337 V N -1.219 118.648 119.914 -0.079 0.000 3.078 337 V HA 0.742 4.860 4.120 -0.003 0.000 0.311 337 V C -0.676 175.300 176.094 -0.197 0.000 1.138 337 V CA -0.997 61.219 62.300 -0.139 0.000 1.007 337 V CB 1.420 33.175 31.823 -0.113 0.000 1.045 337 V HN 0.559 nan 8.190 nan 0.000 0.432 338 V N 2.600 122.298 119.914 -0.360 0.000 2.439 338 V HA 0.491 4.609 4.120 -0.003 0.000 0.271 338 V C 1.292 177.092 176.094 -0.489 0.000 1.040 338 V CA 0.890 62.912 62.300 -0.464 0.000 1.002 338 V CB 0.488 31.883 31.823 -0.714 0.000 1.000 338 V HN 1.280 nan 8.190 nan 0.000 0.477 339 A N 4.476 127.187 122.820 -0.182 0.000 2.252 339 A HA 0.347 4.666 4.320 -0.003 0.000 0.213 339 A C 0.764 178.402 177.584 0.090 0.000 1.188 339 A CA 0.287 52.310 52.037 -0.023 0.000 0.863 339 A CB 0.008 19.023 19.000 0.025 0.000 0.893 339 A HN 0.703 nan 8.150 nan 0.000 0.495 340 N N -1.576 117.176 118.700 0.087 0.000 3.185 340 N HA 0.377 5.115 4.740 -0.003 0.000 0.238 340 N C -1.304 174.302 175.510 0.161 0.000 1.451 340 N CA 0.593 53.746 53.050 0.171 0.000 0.888 340 N CB 1.322 39.875 38.487 0.111 0.000 1.413 340 N HN 0.232 nan 8.380 nan 0.000 0.511 341 T N -2.222 112.433 114.554 0.168 0.000 2.843 341 T HA 0.717 5.065 4.350 -0.003 0.000 0.302 341 T C -1.082 173.668 174.700 0.084 0.000 1.232 341 T CA -0.696 61.486 62.100 0.136 0.000 1.009 341 T CB 2.095 71.078 68.868 0.191 0.000 1.254 341 T HN 0.390 nan 8.240 nan 0.000 0.504 342 E N -0.199 120.037 120.200 0.061 0.000 2.299 342 E HA 0.698 5.046 4.350 -0.003 0.000 0.265 342 E C -0.808 175.806 176.600 0.023 0.000 0.911 342 E CA -1.407 55.012 56.400 0.031 0.000 0.789 342 E CB 2.311 32.026 29.700 0.024 0.000 1.246 342 E HN 0.948 nan 8.360 nan 0.000 0.427 343 A N 1.581 124.403 122.820 0.004 0.000 2.337 343 A HA 0.481 4.800 4.320 -0.003 0.000 0.331 343 A C -0.707 176.874 177.584 -0.005 0.000 1.137 343 A CA -0.805 51.230 52.037 -0.003 0.000 0.807 343 A CB 0.756 19.744 19.000 -0.020 0.000 1.250 343 A HN 0.694 nan 8.150 nan 0.000 0.468 344 D N 0.702 121.099 120.400 -0.005 0.000 2.440 344 D HA 0.451 5.089 4.640 -0.003 0.000 0.269 344 D C 1.112 177.405 176.300 -0.012 0.000 1.249 344 D CA 0.154 54.150 54.000 -0.006 0.000 1.055 344 D CB 0.383 41.181 40.800 -0.004 0.000 1.104 344 D HN 0.431 nan 8.370 nan 0.000 0.561 345 A N -0.508 122.305 122.820 -0.012 0.000 2.015 345 A HA -0.067 4.251 4.320 -0.003 0.000 0.219 345 A C 1.947 179.521 177.584 -0.016 0.000 1.163 345 A CA 1.646 53.675 52.037 -0.014 0.000 0.646 345 A CB -1.060 17.933 19.000 -0.012 0.000 0.806 345 A HN 0.590 nan 8.150 nan 0.000 0.448 346 S N -1.777 113.914 115.700 -0.016 0.000 2.607 346 S HA 0.352 4.821 4.470 -0.003 0.000 0.224 346 S C 1.391 175.977 174.600 -0.023 0.000 0.969 346 S CA 1.067 59.255 58.200 -0.019 0.000 0.927 346 S CB -0.389 62.800 63.200 -0.019 0.000 0.772 346 S HN 1.871 nan 8.310 nan 0.000 0.533 347 G N 0.299 109.085 108.800 -0.023 0.000 2.175 347 G HA2 -0.220 3.738 3.960 -0.003 0.000 0.244 347 G HA3 -0.220 3.738 3.960 -0.003 0.000 0.244 347 G C -0.256 174.629 174.900 -0.025 0.000 0.982 347 G CA 0.080 45.163 45.100 -0.028 0.000 0.641 347 G HN 0.607 nan 8.290 nan 0.000 0.527 348 E N -0.282 119.908 120.200 -0.017 0.000 2.283 348 E HA 0.537 4.885 4.350 -0.003 0.000 0.271 348 E C 0.377 176.978 176.600 0.002 0.000 1.031 348 E CA -1.117 55.277 56.400 -0.010 0.000 0.868 348 E CB 1.651 31.344 29.700 -0.012 0.000 1.094 348 E HN 0.209 nan 8.360 nan 0.000 0.401 349 L N 2.503 123.735 121.223 0.014 0.000 2.678 349 L HA -0.155 4.183 4.340 -0.003 0.000 0.285 349 L C 0.711 177.596 176.870 0.026 0.000 1.233 349 L CA 1.126 55.985 54.840 0.031 0.000 0.920 349 L CB 0.344 42.430 42.059 0.046 0.000 1.176 349 L HN 0.644 nan 8.230 nan 0.000 0.495 350 S N 2.561 118.279 115.700 0.030 0.000 2.631 350 S HA 0.742 5.210 4.470 -0.003 0.000 0.246 350 S C 0.291 174.915 174.600 0.040 0.000 1.068 350 S CA 0.119 58.335 58.200 0.027 0.000 0.995 350 S CB 0.357 63.567 63.200 0.016 0.000 0.944 350 S HN 1.085 nan 8.310 nan 0.000 0.529 351 A N 0.974 123.825 122.820 0.052 0.000 2.608 351 A HA 0.700 5.018 4.320 -0.003 0.000 0.292 351 A C -1.187 176.448 177.584 0.085 0.000 1.066 351 A CA -0.367 51.712 52.037 0.070 0.000 0.676 351 A CB 1.105 20.137 19.000 0.054 0.000 1.277 351 A HN 1.147 nan 8.150 nan 0.000 0.413 352 V N -1.095 118.885 119.914 0.110 0.000 2.680 352 V HA 0.864 4.982 4.120 -0.003 0.000 0.309 352 V C -1.179 174.990 176.094 0.125 0.000 1.052 352 V CA -0.895 61.464 62.300 0.099 0.000 0.908 352 V CB 1.343 33.198 31.823 0.052 0.000 1.001 352 V HN 0.727 nan 8.190 nan 0.000 0.431 353 L N 4.955 126.228 121.223 0.082 0.000 2.262 353 L HA 0.603 4.941 4.340 -0.003 0.000 0.288 353 L C -0.014 176.889 176.870 0.055 0.000 1.035 353 L CA -0.006 54.882 54.840 0.080 0.000 0.820 353 L CB 1.403 43.496 42.059 0.057 0.000 1.204 353 L HN 0.663 nan 8.230 nan 0.000 0.424 354 V N 3.176 123.160 119.914 0.117 0.000 2.435 354 V HA 0.907 5.025 4.120 -0.003 0.000 0.290 354 V C 0.142 176.276 176.094 0.068 0.000 1.030 354 V CA -0.515 61.827 62.300 0.071 0.000 0.881 354 V CB 1.455 33.356 31.823 0.131 0.000 0.983 354 V HN 0.850 nan 8.190 nan 0.000 0.445 355 A N 2.830 125.662 122.820 0.020 0.000 2.539 355 A HA 0.816 5.135 4.320 -0.003 0.000 0.296 355 A C -0.026 177.562 177.584 0.007 0.000 1.073 355 A CA -0.419 51.631 52.037 0.023 0.000 0.700 355 A CB 1.685 20.698 19.000 0.022 0.000 1.296 355 A HN 0.914 nan 8.150 nan 0.000 0.405 356 T N -0.685 113.877 114.554 0.014 0.000 2.932 356 T HA 0.435 4.783 4.350 -0.003 0.000 0.312 356 T C -0.319 174.385 174.700 0.007 0.000 1.071 356 T CA 0.085 62.189 62.100 0.007 0.000 1.128 356 T CB 0.506 69.382 68.868 0.012 0.000 0.984 356 T HN 1.309 nan 8.240 nan 0.000 0.549 357 L N 3.081 124.305 121.223 0.002 0.000 2.457 357 L HA 0.434 4.772 4.340 -0.003 0.000 0.266 357 L C -0.692 176.180 176.870 0.004 0.000 0.979 357 L CA -0.504 54.340 54.840 0.007 0.000 0.857 357 L CB 1.387 43.447 42.059 0.002 0.000 1.213 357 L HN 0.969 nan 8.230 nan 0.000 0.418 358 D N 2.017 122.423 120.400 0.010 0.000 2.433 358 D HA 0.083 4.721 4.640 -0.003 0.000 0.255 358 D C 0.509 176.813 176.300 0.007 0.000 1.226 358 D CA -0.151 53.854 54.000 0.008 0.000 1.015 358 D CB 0.613 41.419 40.800 0.011 0.000 1.091 358 D HN 0.600 nan 8.370 nan 0.000 0.527 359 E N -1.249 118.955 120.200 0.007 0.000 2.401 359 E HA -0.135 4.213 4.350 -0.003 0.000 0.199 359 E C 1.096 177.705 176.600 0.015 0.000 1.023 359 E CA 0.643 57.048 56.400 0.008 0.000 0.859 359 E CB 0.013 29.719 29.700 0.010 0.000 0.780 359 E HN 0.386 nan 8.360 nan 0.000 0.523 360 Q N -0.029 119.781 119.800 0.017 0.000 2.319 360 Q HA 0.154 4.492 4.340 -0.003 0.000 0.202 360 Q C -0.026 175.990 176.000 0.026 0.000 0.896 360 Q CA -0.036 55.780 55.803 0.021 0.000 0.942 360 Q CB 0.553 29.302 28.738 0.019 0.000 1.083 360 Q HN 0.194 nan 8.270 nan 0.000 0.510 361 R N 0.599 121.115 120.500 0.026 0.000 3.527 361 R HA -0.133 4.205 4.340 -0.003 0.000 0.288 361 R C -0.957 175.368 176.300 0.042 0.000 1.146 361 R CA 0.297 56.419 56.100 0.037 0.000 0.778 361 R CB -2.423 27.905 30.300 0.047 0.000 1.289 361 R HN 0.381 nan 8.270 nan 0.000 0.454 362 N N 0.749 119.468 118.700 0.032 0.000 2.434 362 N HA 0.339 5.078 4.740 -0.003 0.000 0.272 362 N C -0.124 175.405 175.510 0.032 0.000 1.040 362 N CA -0.467 52.602 53.050 0.032 0.000 0.956 362 N CB 1.060 39.562 38.487 0.024 0.000 1.108 362 N HN 0.064 nan 8.380 nan 0.000 0.481 363 L N 1.596 122.842 121.223 0.039 0.000 2.349 363 L HA 0.378 4.716 4.340 -0.003 0.000 0.275 363 L C 1.375 178.261 176.870 0.026 0.000 1.115 363 L CA -0.442 54.420 54.840 0.036 0.000 0.820 363 L CB 0.798 42.885 42.059 0.047 0.000 1.135 363 L HN 0.649 nan 8.230 nan 0.000 0.445 364 G N 2.170 110.984 108.800 0.022 0.000 2.553 364 G HA2 0.164 4.123 3.960 -0.003 0.000 0.278 364 G HA3 0.164 4.123 3.960 -0.003 0.000 0.278 364 G C -0.277 174.635 174.900 0.019 0.000 1.349 364 G CA -0.538 44.573 45.100 0.019 0.000 1.037 364 G HN 0.512 nan 8.290 nan 0.000 0.508 365 E N -0.359 119.852 120.200 0.017 0.000 2.383 365 E HA 0.415 4.763 4.350 -0.003 0.000 0.264 365 E C 0.471 177.084 176.600 0.021 0.000 1.050 365 E CA -0.161 56.248 56.400 0.015 0.000 0.896 365 E CB 1.405 31.110 29.700 0.010 0.000 0.982 365 E HN 0.527 nan 8.360 nan 0.000 0.424 366 A N 2.847 125.680 122.820 0.021 0.000 2.316 366 A HA 0.273 4.591 4.320 -0.003 0.000 0.284 366 A C 0.007 177.606 177.584 0.025 0.000 1.115 366 A CA -0.335 51.721 52.037 0.031 0.000 0.812 366 A CB 0.655 19.674 19.000 0.030 0.000 1.064 366 A HN 0.571 nan 8.150 nan 0.000 0.489 367 Q N 0.898 120.728 119.800 0.049 0.000 2.353 367 Q HA 0.465 4.803 4.340 -0.003 0.000 0.268 367 Q C -0.592 175.414 176.000 0.010 0.000 1.045 367 Q CA -0.734 55.070 55.803 0.000 0.000 0.811 367 Q CB 1.466 30.222 28.738 0.030 0.000 1.305 367 Q HN 0.802 nan 8.270 nan 0.000 0.447 368 R N 3.238 123.668 120.500 -0.116 0.000 2.297 368 R HA 0.401 4.739 4.340 -0.003 0.000 0.308 368 R C -1.522 174.619 176.300 -0.266 0.000 1.029 368 R CA -0.078 55.975 56.100 -0.077 0.000 0.929 368 R CB 0.562 30.821 30.300 -0.069 0.000 1.046 368 R HN 0.471 nan 8.270 nan 0.000 0.461 369 F N 2.089 122.034 119.950 -0.008 0.000 2.507 369 F HA 0.282 4.807 4.527 -0.003 0.000 0.325 369 F C 0.113 175.911 175.800 -0.003 0.000 1.116 369 F CA -0.767 57.229 58.000 -0.007 0.000 0.930 369 F CB 2.056 41.049 39.000 -0.012 0.000 1.146 369 F HN 0.429 nan 8.300 nan 0.000 0.447 370 E N 2.207 122.489 120.200 0.137 0.000 2.360 370 E HA 0.554 4.902 4.350 -0.003 0.000 0.269 370 E C -0.663 175.999 176.600 0.103 0.000 1.022 370 E CA -0.216 56.238 56.400 0.090 0.000 0.887 370 E CB 1.033 30.762 29.700 0.050 0.000 0.990 370 E HN 0.624 nan 8.360 nan 0.000 0.426 371 A N 2.587 125.452 122.820 0.074 0.000 2.547 371 A HA 0.257 4.575 4.320 -0.003 0.000 0.297 371 A C -0.494 177.114 177.584 0.040 0.000 1.056 371 A CA -0.822 51.249 52.037 0.057 0.000 0.688 371 A CB 1.152 20.185 19.000 0.056 0.000 1.282 371 A HN 0.694 nan 8.150 nan 0.000 0.400 372 D N 0.410 120.827 120.400 0.028 0.000 2.366 372 D HA 0.208 4.846 4.640 -0.003 0.000 0.205 372 D C 0.150 176.461 176.300 0.018 0.000 1.022 372 D CA 0.504 54.516 54.000 0.020 0.000 0.868 372 D CB 0.286 41.092 40.800 0.011 0.000 0.953 372 D HN 0.256 nan 8.370 nan 0.000 0.514 373 V N 0.821 120.747 119.914 0.019 0.000 2.709 373 V HA 0.371 4.489 4.120 -0.003 0.000 0.308 373 V C -1.324 174.781 176.094 0.019 0.000 1.062 373 V CA -1.076 61.234 62.300 0.017 0.000 0.901 373 V CB 2.514 34.342 31.823 0.008 0.000 1.003 373 V HN 0.064 nan 8.190 nan 0.000 0.425 374 L N 4.466 125.708 121.223 0.031 0.000 2.295 374 L HA 0.814 5.152 4.340 -0.003 0.000 0.281 374 L C 0.385 177.259 176.870 0.007 0.000 1.018 374 L CA -0.318 54.538 54.840 0.028 0.000 0.841 374 L CB 0.981 43.092 42.059 0.087 0.000 1.218 374 L HN 0.775 nan 8.230 nan 0.000 0.424 375 A N 5.626 128.431 122.820 -0.026 0.000 2.376 375 A HA 0.584 4.902 4.320 -0.003 0.000 0.298 375 A C -0.498 177.051 177.584 -0.057 0.000 1.271 375 A CA -0.353 51.654 52.037 -0.049 0.000 0.926 375 A CB -0.120 18.850 19.000 -0.051 0.000 1.141 375 A HN 0.489 nan 8.150 nan 0.000 0.539 376 V N 2.655 122.537 119.914 -0.054 0.000 2.394 376 V HA 0.515 4.633 4.120 -0.003 0.000 0.282 376 V C 0.523 176.576 176.094 -0.068 0.000 1.031 376 V CA -0.256 62.030 62.300 -0.023 0.000 0.881 376 V CB 1.631 33.502 31.823 0.079 0.000 0.982 376 V HN 0.812 nan 8.190 nan 0.000 0.451 377 S N 3.146 118.802 115.700 -0.074 0.000 2.669 377 S HA 0.526 4.995 4.470 -0.003 0.000 0.315 377 S C 0.789 175.321 174.600 -0.113 0.000 1.106 377 S CA -0.025 58.097 58.200 -0.130 0.000 1.107 377 S CB 0.898 64.037 63.200 -0.100 0.000 0.990 377 S HN 0.994 nan 8.310 nan 0.000 0.471 378 G N 2.346 111.075 108.800 -0.119 0.000 3.371 378 G HA2 0.537 4.495 3.960 -0.003 0.000 0.248 378 G HA3 0.537 4.495 3.960 -0.003 0.000 0.248 378 G C 0.792 175.624 174.900 -0.113 0.000 1.161 378 G CA 0.140 45.195 45.100 -0.074 0.000 0.796 378 G HN 1.361 nan 8.290 nan 0.000 0.539 379 G N -0.722 107.941 108.800 -0.229 0.000 2.409 379 G HA2 0.153 4.111 3.960 -0.003 0.000 0.421 379 G HA3 0.153 4.111 3.960 -0.003 0.000 0.421 379 G C -1.105 173.455 174.900 -0.567 0.000 1.259 379 G CA -1.060 43.952 45.100 -0.147 0.000 1.011 379 G HN 0.384 nan 8.290 nan 0.000 0.497 380 F N 0.403 120.419 119.950 0.111 0.000 2.591 380 F HA 0.574 5.099 4.527 -0.003 0.000 0.309 380 F C -0.165 175.722 175.800 0.144 0.000 1.098 380 F CA -1.007 57.066 58.000 0.122 0.000 0.937 380 F CB 2.587 41.629 39.000 0.069 0.000 1.250 380 F HN 0.331 nan 8.300 nan 0.000 0.447 381 N N 3.152 122.052 118.700 0.334 0.000 2.476 381 N HA 0.343 5.082 4.740 -0.003 0.000 0.257 381 N C -2.861 172.795 175.510 0.243 0.000 0.970 381 N CA -1.645 51.588 53.050 0.305 0.000 0.938 381 N CB 1.673 40.374 38.487 0.358 0.000 1.144 381 N HN 0.103 nan 8.380 nan 0.000 0.500 382 P HA -0.074 nan 4.420 nan 0.000 0.264 382 P C -0.054 177.298 177.300 0.086 0.000 1.179 382 P CA 0.101 63.248 63.100 0.078 0.000 0.763 382 P CB 0.748 32.468 31.700 0.033 0.000 0.806 383 V N 4.665 124.578 119.914 -0.001 0.000 2.222 383 V HA -0.013 4.105 4.120 -0.003 0.000 0.253 383 V C 1.569 177.706 176.094 0.073 0.000 1.210 383 V CA 0.193 62.520 62.300 0.045 0.000 1.079 383 V CB -0.045 31.632 31.823 -0.244 0.000 1.265 383 V HN 0.460 nan 8.190 nan 0.000 0.494 384 V N 0.112 120.066 119.914 0.066 0.000 3.573 384 V HA -0.048 4.070 4.120 -0.003 0.000 0.270 384 V C 1.991 177.932 176.094 -0.255 0.000 1.221 384 V CA 0.808 63.018 62.300 -0.151 0.000 1.163 384 V CB -1.295 30.362 31.823 -0.276 0.000 0.847 384 V HN 0.753 nan 8.190 nan 0.000 0.468 385 H N 1.653 120.503 119.070 -0.366 0.000 2.292 385 H HA -0.177 4.377 4.556 -0.003 0.000 0.292 385 H C 2.056 177.288 175.328 -0.161 0.000 1.100 385 H CA 2.581 58.478 56.048 -0.251 0.000 1.238 385 H CB -0.810 29.090 29.762 0.231 0.000 1.355 385 H HN 0.419 nan 8.280 nan 0.000 0.484 386 L N -0.636 120.580 121.223 -0.010 0.000 2.141 386 L HA -0.168 4.170 4.340 -0.003 0.000 0.209 386 L C 2.631 179.457 176.870 -0.073 0.000 1.094 386 L CA 1.374 56.173 54.840 -0.068 0.000 0.763 386 L CB -0.562 41.425 42.059 -0.120 0.000 0.908 386 L HN 0.482 nan 8.230 nan 0.000 0.437 387 H N 0.175 119.153 119.070 -0.153 0.000 2.293 387 H HA -0.137 4.418 4.556 -0.003 0.000 0.300 387 H C 2.226 177.466 175.328 -0.146 0.000 1.082 387 H CA 1.952 57.915 56.048 -0.142 0.000 1.308 387 H CB 0.323 29.999 29.762 -0.143 0.000 1.375 387 H HN 0.218 nan 8.280 nan 0.000 0.495 388 S N 0.786 116.353 115.700 -0.221 0.000 2.423 388 S HA -0.115 4.353 4.470 -0.003 0.000 0.231 388 S C 2.074 176.606 174.600 -0.113 0.000 1.014 388 S CA 0.813 58.880 58.200 -0.222 0.000 0.965 388 S CB -0.139 62.882 63.200 -0.297 0.000 0.785 388 S HN 0.519 nan 8.310 nan 0.000 0.495 389 Q N 0.355 120.105 119.800 -0.082 0.000 2.234 389 Q HA 0.002 4.341 4.340 -0.003 0.000 0.206 389 Q C 1.204 177.138 176.000 -0.110 0.000 0.980 389 Q CA 0.739 56.507 55.803 -0.058 0.000 0.869 389 Q CB -0.010 28.670 28.738 -0.097 0.000 0.912 389 Q HN 0.205 nan 8.270 nan 0.000 0.436 390 R N 0.499 120.904 120.500 -0.159 0.000 2.480 390 R HA 0.055 4.393 4.340 -0.003 0.000 0.277 390 R C -0.148 176.060 176.300 -0.154 0.000 1.008 390 R CA 0.075 56.088 56.100 -0.145 0.000 1.090 390 R CB 0.389 30.598 30.300 -0.152 0.000 1.234 390 R HN 0.212 nan 8.270 nan 0.000 0.549 391 Q N -1.528 118.185 119.800 -0.145 0.000 2.481 391 Q HA -0.149 4.189 4.340 -0.003 0.000 0.258 391 Q C 0.385 176.264 176.000 -0.202 0.000 0.961 391 Q CA 1.133 56.862 55.803 -0.123 0.000 1.121 391 Q CB -2.167 26.532 28.738 -0.066 0.000 1.503 391 Q HN 0.530 nan 8.270 nan 0.000 0.544 392 G N 0.552 109.090 108.800 -0.437 0.000 2.414 392 G HA2 0.229 4.187 3.960 -0.003 0.000 0.236 392 G HA3 0.229 4.187 3.960 -0.003 0.000 0.236 392 G C -0.043 174.724 174.900 -0.221 0.000 1.293 392 G CA -0.336 44.340 45.100 -0.707 0.000 0.869 392 G HN 0.108 nan 8.290 nan 0.000 0.556 393 K N 0.547 120.979 120.400 0.054 0.000 2.090 393 K HA 0.546 4.864 4.320 -0.003 0.000 0.249 393 K C -0.080 176.666 176.600 0.243 0.000 0.995 393 K CA -0.451 55.912 56.287 0.128 0.000 0.914 393 K CB 1.333 33.890 32.500 0.095 0.000 1.057 393 K HN 0.291 nan 8.250 nan 0.000 0.462 394 L N 1.593 122.932 121.223 0.193 0.000 2.342 394 L HA 0.415 4.754 4.340 -0.003 0.000 0.271 394 L C -0.398 176.632 176.870 0.265 0.000 1.008 394 L CA -1.153 53.825 54.840 0.230 0.000 0.818 394 L CB 1.674 43.891 42.059 0.265 0.000 1.296 394 L HN 0.537 nan 8.230 nan 0.000 0.427 395 N N 0.574 119.418 118.700 0.240 0.000 2.370 395 N HA 0.290 5.028 4.740 -0.003 0.000 0.303 395 N C -1.384 174.280 175.510 0.257 0.000 1.103 395 N CA -0.485 52.692 53.050 0.212 0.000 0.848 395 N CB 2.474 41.019 38.487 0.097 0.000 1.235 395 N HN 0.570 nan 8.380 nan 0.000 0.496 396 W N 2.227 123.527 121.300 -0.001 0.000 2.322 396 W HA 0.169 4.827 4.660 -0.003 0.000 0.307 396 W C -0.696 175.758 176.519 -0.109 0.000 1.220 396 W CA -0.204 57.024 57.345 -0.195 0.000 1.210 396 W CB 0.752 30.041 29.460 -0.285 0.000 1.223 396 W HN 0.402 nan 8.180 nan 0.000 0.511 397 D N 4.515 124.490 120.400 -0.708 0.000 2.373 397 D HA 0.030 4.668 4.640 -0.003 0.000 0.227 397 D C 1.139 177.000 176.300 -0.731 0.000 1.091 397 D CA -0.032 53.651 54.000 -0.527 0.000 0.840 397 D CB 1.399 41.951 40.800 -0.414 0.000 1.060 397 D HN 0.444 nan 8.370 nan 0.000 0.502 398 T N -0.067 114.245 114.554 -0.403 0.000 3.148 398 T HA -0.046 4.302 4.350 -0.003 0.000 0.253 398 T C 1.512 175.858 174.700 -0.591 0.000 1.134 398 T CA 0.418 62.314 62.100 -0.340 0.000 1.051 398 T CB 0.195 69.070 68.868 0.013 0.000 0.959 398 T HN 0.212 nan 8.240 nan 0.000 0.525 399 S N 1.561 116.965 115.700 -0.493 0.000 2.456 399 S HA 0.149 4.617 4.470 -0.003 0.000 0.224 399 S C 1.740 176.094 174.600 -0.411 0.000 1.035 399 S CA 0.210 58.180 58.200 -0.383 0.000 0.940 399 S CB -0.346 62.731 63.200 -0.206 0.000 0.799 399 S HN 0.749 nan 8.310 nan 0.000 0.508 400 I N -2.743 117.576 120.570 -0.417 0.000 4.139 400 I HA 0.431 4.599 4.170 -0.003 0.000 0.335 400 I C -0.531 175.487 176.117 -0.165 0.000 1.327 400 I CA -0.382 60.803 61.300 -0.193 0.000 1.112 400 I CB -0.336 37.608 38.000 -0.093 0.000 1.058 400 I HN 0.120 nan 8.210 nan 0.000 0.396 401 H N 1.790 120.693 119.070 -0.278 0.000 2.702 401 H HA -0.032 4.522 4.556 -0.003 0.000 0.328 401 H C -0.037 174.893 175.328 -0.664 0.000 1.111 401 H CA 0.666 56.484 56.048 -0.384 0.000 1.109 401 H CB -1.304 28.597 29.762 0.230 0.000 1.606 401 H HN 0.751 nan 8.280 nan 0.000 0.399 402 A N 1.221 123.282 122.820 -1.264 0.000 2.608 402 A HA 0.609 4.927 4.320 -0.003 0.000 0.292 402 A C -0.805 176.352 177.584 -0.711 0.000 1.066 402 A CA -0.888 50.753 52.037 -0.661 0.000 0.676 402 A CB 1.093 20.007 19.000 -0.143 0.000 1.277 402 A HN 0.085 nan 8.150 nan 0.000 0.413 403 F N 0.841 120.797 119.950 0.010 0.000 2.456 403 F HA 0.461 4.986 4.527 -0.003 0.000 0.358 403 F C 0.894 176.697 175.800 0.005 0.000 1.095 403 F CA 0.387 58.458 58.000 0.118 0.000 1.216 403 F CB 1.451 40.605 39.000 0.257 0.000 1.125 403 F HN 0.546 nan 8.300 nan 0.000 0.549 404 V N 1.140 121.135 119.914 0.134 0.000 3.074 404 V HA 0.717 4.836 4.120 -0.003 0.000 0.314 404 V C -2.894 173.195 176.094 -0.008 0.000 1.117 404 V CA -3.254 59.054 62.300 0.013 0.000 1.014 404 V CB 1.867 33.653 31.823 -0.062 0.000 1.057 404 V HN 0.402 nan 8.190 nan 0.000 0.438 405 P HA 0.429 nan 4.420 nan 0.000 0.271 405 P C 0.038 177.252 177.300 -0.144 0.000 1.216 405 P CA 0.342 63.241 63.100 -0.335 0.000 0.776 405 P CB 1.017 32.243 31.700 -0.791 0.000 0.881 406 A N 3.169 125.983 122.820 -0.011 0.000 3.364 406 A HA 0.177 4.496 4.320 -0.003 0.000 0.157 406 A C 0.141 177.747 177.584 0.036 0.000 1.964 406 A CA 0.098 52.158 52.037 0.037 0.000 1.162 406 A CB -0.817 18.237 19.000 0.090 0.000 1.836 406 A HN 0.439 nan 8.150 nan 0.000 0.802 407 D N 0.686 121.128 120.400 0.069 0.000 2.414 407 D HA 0.424 5.063 4.640 -0.003 0.000 0.242 407 D C 0.459 176.832 176.300 0.121 0.000 1.129 407 D CA 0.893 54.924 54.000 0.052 0.000 0.885 407 D CB 0.776 41.596 40.800 0.033 0.000 1.198 407 D HN 0.643 nan 8.370 nan 0.000 0.437 408 A N 2.170 125.023 122.820 0.056 0.000 2.555 408 A HA 0.124 4.442 4.320 -0.003 0.000 0.233 408 A C 0.527 178.136 177.584 0.042 0.000 1.060 408 A CA -0.339 51.738 52.037 0.067 0.000 0.759 408 A CB 0.280 19.244 19.000 -0.059 0.000 0.995 408 A HN 0.399 nan 8.150 nan 0.000 0.506 409 V N 1.629 121.561 119.914 0.030 0.000 2.963 409 V HA 0.296 4.414 4.120 -0.003 0.000 0.306 409 V C 1.338 177.399 176.094 -0.054 0.000 1.077 409 V CA 0.154 62.426 62.300 -0.046 0.000 1.124 409 V CB 0.588 32.359 31.823 -0.086 0.000 0.987 409 V HN 1.259 nan 8.190 nan 0.000 0.487 410 A N 4.264 127.055 122.820 -0.047 0.000 2.584 410 A HA 0.118 4.437 4.320 -0.003 0.000 0.239 410 A C 1.104 178.660 177.584 -0.047 0.000 1.043 410 A CA 0.408 52.418 52.037 -0.044 0.000 0.756 410 A CB -0.595 18.392 19.000 -0.022 0.000 0.963 410 A HN 1.146 nan 8.150 nan 0.000 0.511 411 N N -0.039 118.620 118.700 -0.068 0.000 2.782 411 N HA -0.147 4.592 4.740 -0.003 0.000 0.251 411 N C -0.248 175.239 175.510 -0.038 0.000 1.101 411 N CA 1.783 54.817 53.050 -0.028 0.000 0.764 411 N CB -1.174 37.331 38.487 0.029 0.000 1.122 411 N HN 0.899 nan 8.380 nan 0.000 0.561 412 Q N -0.638 119.065 119.800 -0.162 0.000 2.416 412 Q HA 0.611 4.950 4.340 -0.003 0.000 0.279 412 Q C -0.902 174.871 176.000 -0.378 0.000 1.101 412 Q CA -0.574 55.166 55.803 -0.105 0.000 0.830 412 Q CB 1.803 30.526 28.738 -0.025 0.000 1.402 412 Q HN 0.313 nan 8.270 nan 0.000 0.445 413 H N -0.555 118.513 119.070 -0.002 0.000 2.895 413 H HA 0.578 5.132 4.556 -0.003 0.000 0.373 413 H C -1.221 174.089 175.328 -0.030 0.000 1.174 413 H CA -0.560 55.481 56.048 -0.013 0.000 1.144 413 H CB 1.459 31.211 29.762 -0.016 0.000 1.793 413 H HN 0.293 nan 8.280 nan 0.000 0.551 414 L N 1.477 122.733 121.223 0.054 0.000 2.362 414 L HA 0.874 5.212 4.340 -0.003 0.000 0.275 414 L C -0.528 176.330 176.870 -0.021 0.000 0.998 414 L CA -0.827 54.001 54.840 -0.019 0.000 0.820 414 L CB 1.804 43.814 42.059 -0.082 0.000 1.270 414 L HN 0.741 nan 8.230 nan 0.000 0.415 415 A N 1.888 124.685 122.820 -0.039 0.000 2.539 415 A HA 0.952 5.270 4.320 -0.003 0.000 0.296 415 A C -0.012 177.535 177.584 -0.061 0.000 1.073 415 A CA -0.003 52.009 52.037 -0.043 0.000 0.700 415 A CB 1.641 20.622 19.000 -0.032 0.000 1.296 415 A HN 1.078 nan 8.150 nan 0.000 0.405 416 G N -0.230 108.530 108.800 -0.066 0.000 2.642 416 G HA2 0.258 4.216 3.960 -0.003 0.000 0.231 416 G HA3 0.258 4.216 3.960 -0.003 0.000 0.231 416 G C 1.165 176.012 174.900 -0.088 0.000 1.338 416 G CA 0.816 45.869 45.100 -0.078 0.000 0.883 416 G HN 2.264 nan 8.290 nan 0.000 0.570 417 A N -1.168 121.594 122.820 -0.097 0.000 2.032 417 A HA 0.069 4.388 4.320 -0.003 0.000 0.221 417 A C 2.597 180.132 177.584 -0.082 0.000 1.165 417 A CA 2.784 54.759 52.037 -0.104 0.000 0.645 417 A CB -0.368 18.560 19.000 -0.120 0.000 0.807 417 A HN 1.940 nan 8.150 nan 0.000 0.453 418 L N 0.682 121.856 121.223 -0.082 0.000 2.089 418 L HA -0.182 4.157 4.340 -0.003 0.000 0.213 418 L C 2.514 179.327 176.870 -0.094 0.000 1.079 418 L CA 2.909 57.698 54.840 -0.085 0.000 0.758 418 L CB -0.927 41.072 42.059 -0.100 0.000 0.891 418 L HN 0.580 nan 8.230 nan 0.000 0.433 419 T N -4.238 110.259 114.554 -0.094 0.000 3.113 419 T HA 0.348 4.696 4.350 -0.003 0.000 0.256 419 T C 1.450 176.095 174.700 -0.092 0.000 1.131 419 T CA 0.436 62.477 62.100 -0.097 0.000 1.074 419 T CB -0.085 68.731 68.868 -0.085 0.000 0.944 419 T HN 0.687 nan 8.240 nan 0.000 0.516 420 G N 0.993 109.740 108.800 -0.088 0.000 2.179 420 G HA2 -0.164 3.794 3.960 -0.003 0.000 0.220 420 G HA3 -0.164 3.794 3.960 -0.003 0.000 0.220 420 G C -0.126 174.714 174.900 -0.101 0.000 0.990 420 G CA -0.134 44.910 45.100 -0.093 0.000 0.646 420 G HN 0.600 nan 8.290 nan 0.000 0.517 421 L N 0.991 122.155 121.223 -0.100 0.000 2.276 421 L HA 0.562 4.901 4.340 -0.003 0.000 0.286 421 L C 1.345 178.140 176.870 -0.125 0.000 1.061 421 L CA -0.622 54.156 54.840 -0.104 0.000 0.807 421 L CB 1.260 43.264 42.059 -0.092 0.000 1.177 421 L HN 0.040 nan 8.230 nan 0.000 0.429 422 L N 2.291 123.428 121.223 -0.143 0.000 2.808 422 L HA 0.180 4.518 4.340 -0.003 0.000 0.246 422 L C 0.125 176.882 176.870 -0.187 0.000 1.153 422 L CA -0.113 54.606 54.840 -0.202 0.000 0.956 422 L CB 0.068 41.966 42.059 -0.268 0.000 1.270 422 L HN 0.690 nan 8.230 nan 0.000 0.528 423 D N -1.853 118.462 120.400 -0.142 0.000 2.268 423 D HA 0.138 4.776 4.640 -0.003 0.000 0.249 423 D C 0.520 176.744 176.300 -0.128 0.000 1.008 423 D CA -0.393 53.531 54.000 -0.127 0.000 0.939 423 D CB 1.769 42.507 40.800 -0.103 0.000 1.170 423 D HN -0.246 nan 8.370 nan 0.000 0.468 424 T N 0.595 115.071 114.554 -0.130 0.000 2.857 424 T HA -0.035 4.314 4.350 -0.003 0.000 0.266 424 T C 1.880 176.487 174.700 -0.155 0.000 1.048 424 T CA 1.462 63.473 62.100 -0.149 0.000 1.139 424 T CB -0.234 68.536 68.868 -0.163 0.000 0.874 424 T HN 0.631 nan 8.240 nan 0.000 0.455 425 A N 1.614 124.352 122.820 -0.136 0.000 1.902 425 A HA -0.096 4.222 4.320 -0.003 0.000 0.217 425 A C 2.566 180.084 177.584 -0.111 0.000 1.181 425 A CA 1.922 53.882 52.037 -0.128 0.000 0.623 425 A CB -0.766 18.172 19.000 -0.105 0.000 0.818 425 A HN 0.466 nan 8.150 nan 0.000 0.443 426 S N 0.096 115.736 115.700 -0.100 0.000 2.406 426 S HA 0.060 4.528 4.470 -0.003 0.000 0.228 426 S C 2.268 176.815 174.600 -0.088 0.000 1.020 426 S CA 0.934 59.082 58.200 -0.087 0.000 0.965 426 S CB -0.459 62.690 63.200 -0.084 0.000 0.798 426 S HN 0.794 nan 8.310 nan 0.000 0.488 427 A N 1.971 124.730 122.820 -0.103 0.000 1.883 427 A HA -0.072 4.246 4.320 -0.003 0.000 0.217 427 A C 2.113 179.643 177.584 -0.090 0.000 1.186 427 A CA 1.365 53.344 52.037 -0.097 0.000 0.624 427 A CB -0.843 18.092 19.000 -0.108 0.000 0.822 427 A HN 0.460 nan 8.150 nan 0.000 0.444 428 L N -0.799 120.352 121.223 -0.120 0.000 2.141 428 L HA -0.116 4.222 4.340 -0.003 0.000 0.209 428 L C 2.888 179.717 176.870 -0.069 0.000 1.094 428 L CA 1.374 56.142 54.840 -0.119 0.000 0.763 428 L CB -0.328 41.605 42.059 -0.211 0.000 0.908 428 L HN 0.526 nan 8.230 nan 0.000 0.437 429 S N -0.517 115.141 115.700 -0.070 0.000 2.348 429 S HA -0.154 4.314 4.470 -0.003 0.000 0.219 429 S C 2.173 176.751 174.600 -0.037 0.000 1.033 429 S CA 1.620 59.791 58.200 -0.049 0.000 0.974 429 S CB -0.291 62.877 63.200 -0.054 0.000 0.868 429 S HN 0.578 nan 8.310 nan 0.000 0.459 430 T N -0.917 113.612 114.554 -0.042 0.000 2.867 430 T HA 0.083 4.431 4.350 -0.003 0.000 0.268 430 T C 1.969 176.652 174.700 -0.028 0.000 1.057 430 T CA 1.407 63.488 62.100 -0.033 0.000 1.136 430 T CB -1.309 67.535 68.868 -0.039 0.000 0.874 430 T HN 0.403 nan 8.240 nan 0.000 0.466 431 G N 1.748 110.529 108.800 -0.031 0.000 2.480 431 G HA2 -0.021 3.937 3.960 -0.003 0.000 0.216 431 G HA3 -0.021 3.937 3.960 -0.003 0.000 0.216 431 G C 1.971 176.860 174.900 -0.018 0.000 1.200 431 G CA 1.212 46.299 45.100 -0.022 0.000 0.782 431 G HN 0.743 nan 8.290 nan 0.000 0.554 432 A N 1.221 124.037 122.820 -0.006 0.000 1.873 432 A HA 0.089 4.408 4.320 -0.003 0.000 0.218 432 A C 2.861 180.432 177.584 -0.021 0.000 1.193 432 A CA 2.993 55.028 52.037 -0.004 0.000 0.629 432 A CB -1.049 17.956 19.000 0.008 0.000 0.826 432 A HN 0.990 nan 8.150 nan 0.000 0.447 433 A N -0.644 122.164 122.820 -0.020 0.000 1.898 433 A HA -0.084 4.235 4.320 -0.003 0.000 0.216 433 A C 2.458 180.021 177.584 -0.034 0.000 1.181 433 A CA 2.656 54.682 52.037 -0.019 0.000 0.620 433 A CB -1.460 17.534 19.000 -0.010 0.000 0.819 433 A HN 0.824 nan 8.150 nan 0.000 0.442 434 T N -2.562 111.970 114.554 -0.037 0.000 2.821 434 T HA 0.020 4.368 4.350 -0.003 0.000 0.267 434 T C 1.916 176.499 174.700 -0.196 0.000 1.046 434 T CA 1.560 63.614 62.100 -0.077 0.000 1.139 434 T CB -0.952 67.912 68.868 -0.008 0.000 0.871 434 T HN 0.416 nan 8.240 nan 0.000 0.454 435 G N 1.334 110.059 108.800 -0.124 0.000 2.418 435 G HA2 0.058 4.016 3.960 -0.003 0.000 0.217 435 G HA3 0.058 4.016 3.960 -0.003 0.000 0.217 435 G C 1.906 176.731 174.900 -0.126 0.000 1.158 435 G CA 0.804 45.825 45.100 -0.131 0.000 0.771 435 G HN 0.742 nan 8.290 nan 0.000 0.545 436 A N 0.951 123.719 122.820 -0.087 0.000 1.930 436 A HA 0.378 4.697 4.320 -0.003 0.000 0.217 436 A C 2.739 180.283 177.584 -0.068 0.000 1.175 436 A CA 2.018 54.021 52.037 -0.056 0.000 0.627 436 A CB -0.572 18.411 19.000 -0.027 0.000 0.815 436 A HN 0.713 nan 8.150 nan 0.000 0.443 437 A N -0.338 122.417 122.820 -0.108 0.000 1.968 437 A HA 0.311 4.629 4.320 -0.003 0.000 0.217 437 A C 2.408 179.881 177.584 -0.185 0.000 1.169 437 A CA 1.618 53.603 52.037 -0.087 0.000 0.638 437 A CB -0.743 18.252 19.000 -0.008 0.000 0.812 437 A HN 0.871 nan 8.150 nan 0.000 0.446 438 A N 0.162 122.714 122.820 -0.446 0.000 1.855 438 A HA 0.213 4.531 4.320 -0.003 0.000 0.215 438 A C 2.526 180.054 177.584 -0.093 0.000 1.191 438 A CA 1.934 53.725 52.037 -0.410 0.000 0.613 438 A CB -1.163 17.557 19.000 -0.466 0.000 0.829 438 A HN 1.010 nan 8.150 nan 0.000 0.442 439 A N -0.118 122.661 122.820 -0.068 0.000 1.873 439 A HA -0.172 4.147 4.320 -0.003 0.000 0.218 439 A C 2.462 180.113 177.584 0.111 0.000 1.193 439 A CA 2.490 54.550 52.037 0.038 0.000 0.629 439 A CB -1.146 17.863 19.000 0.014 0.000 0.826 439 A HN 0.500 nan 8.150 nan 0.000 0.447 440 S N -0.008 115.726 115.700 0.057 0.000 2.370 440 S HA -0.086 4.382 4.470 -0.003 0.000 0.226 440 S C 2.258 176.898 174.600 0.066 0.000 1.033 440 S CA 1.311 59.548 58.200 0.062 0.000 1.011 440 S CB -0.591 62.630 63.200 0.035 0.000 0.852 440 S HN 0.870 nan 8.310 nan 0.000 0.457 441 A N 1.107 123.971 122.820 0.073 0.000 2.019 441 A HA 0.199 4.517 4.320 -0.003 0.000 0.219 441 A C 2.095 179.737 177.584 0.096 0.000 1.164 441 A CA 1.480 53.572 52.037 0.091 0.000 0.644 441 A CB -0.656 18.432 19.000 0.147 0.000 0.805 441 A HN 0.527 nan 8.150 nan 0.000 0.449 442 A N -2.123 120.774 122.820 0.130 0.000 2.251 442 A HA 0.445 4.763 4.320 -0.003 0.000 0.209 442 A C 1.572 179.257 177.584 0.170 0.000 1.187 442 A CA 1.107 53.249 52.037 0.175 0.000 0.823 442 A CB -0.591 18.542 19.000 0.222 0.000 0.846 442 A HN 1.781 nan 8.150 nan 0.000 0.486 443 G N -2.016 106.823 108.800 0.064 0.000 2.154 443 G HA2 -0.175 3.783 3.960 -0.003 0.000 0.186 443 G HA3 -0.175 3.783 3.960 -0.003 0.000 0.186 443 G C -0.176 174.482 174.900 -0.403 0.000 1.000 443 G CA -0.147 44.850 45.100 -0.172 0.000 0.664 443 G HN 0.381 nan 8.290 nan 0.000 0.513 444 F N 1.862 121.812 119.950 -0.000 0.000 2.443 444 F HA 0.454 4.980 4.527 -0.003 0.000 0.369 444 F C 0.583 176.376 175.800 -0.010 0.000 1.090 444 F CA -1.007 56.990 58.000 -0.005 0.000 1.129 444 F CB 1.290 40.286 39.000 -0.008 0.000 1.367 444 F HN 0.018 nan 8.300 nan 0.000 0.465 445 E N 3.355 123.610 120.200 0.092 0.000 2.502 445 E HA 0.025 4.373 4.350 -0.003 0.000 0.261 445 E C -0.533 176.106 176.600 0.066 0.000 0.974 445 E CA 0.496 56.929 56.400 0.056 0.000 0.936 445 E CB 0.870 30.582 29.700 0.020 0.000 0.926 445 E HN 0.419 nan 8.360 nan 0.000 0.459 446 K N 3.990 124.416 120.400 0.043 0.000 2.523 446 K HA 0.318 4.636 4.320 -0.003 0.000 0.257 446 K C -1.524 175.085 176.600 0.014 0.000 0.932 446 K CA -0.650 55.654 56.287 0.028 0.000 0.812 446 K CB 0.869 33.381 32.500 0.021 0.000 1.326 446 K HN 0.240 nan 8.250 nan 0.000 0.433 447 I N 3.256 123.832 120.570 0.010 0.000 2.321 447 I HA 0.433 4.601 4.170 -0.003 0.000 0.291 447 I C 0.318 176.436 176.117 0.002 0.000 0.998 447 I CA -1.053 60.250 61.300 0.005 0.000 1.227 447 I CB 0.657 38.660 38.000 0.005 0.000 1.368 447 I HN 0.791 nan 8.210 nan 0.000 0.466 448 A N 5.996 128.815 122.820 -0.001 0.000 2.520 448 A HA 0.160 4.479 4.320 -0.003 0.000 0.245 448 A C 0.407 177.992 177.584 0.002 0.000 1.072 448 A CA -0.075 51.961 52.037 -0.003 0.000 0.761 448 A CB 0.006 19.002 19.000 -0.007 0.000 1.004 448 A HN 0.785 nan 8.150 nan 0.000 0.499 449 E N 2.451 122.655 120.200 0.008 0.000 2.158 449 E HA 0.512 4.860 4.350 -0.003 0.000 0.271 449 E C -1.522 175.092 176.600 0.024 0.000 0.911 449 E CA -0.598 55.810 56.400 0.015 0.000 0.767 449 E CB 1.380 31.091 29.700 0.019 0.000 1.120 449 E HN 0.369 nan 8.360 nan 0.000 0.405 450 V N 6.627 126.550 119.914 0.016 0.000 2.350 450 V HA 0.318 4.436 4.120 -0.003 0.000 0.276 450 V C -2.129 173.970 176.094 0.007 0.000 1.028 450 V CA -1.836 60.468 62.300 0.006 0.000 0.860 450 V CB 1.049 32.863 31.823 -0.015 0.000 0.990 450 V HN 0.745 nan 8.190 nan 0.000 0.453 451 P HA 0.189 nan 4.420 nan 0.000 0.268 451 P C -0.681 176.546 177.300 -0.121 0.000 1.205 451 P CA -0.199 62.888 63.100 -0.022 0.000 0.771 451 P CB 0.442 32.113 31.700 -0.049 0.000 0.858 452 Q N 1.108 120.830 119.800 -0.129 0.000 2.256 452 Q HA 0.717 5.055 4.340 -0.003 0.000 0.257 452 Q C -0.589 175.307 176.000 -0.174 0.000 0.936 452 Q CA -0.537 55.193 55.803 -0.123 0.000 0.903 452 Q CB 2.445 31.139 28.738 -0.074 0.000 1.263 452 Q HN 0.486 nan 8.270 nan 0.000 0.440 453 A N 2.671 125.399 122.820 -0.152 0.000 2.449 453 A HA 0.593 4.911 4.320 -0.003 0.000 0.302 453 A C -0.510 177.009 177.584 -0.108 0.000 1.048 453 A CA -0.744 51.201 52.037 -0.154 0.000 0.708 453 A CB 0.958 19.845 19.000 -0.189 0.000 1.274 453 A HN 0.697 nan 8.150 nan 0.000 0.410 454 L N 1.477 122.645 121.223 -0.093 0.000 2.529 454 L HA 0.223 4.562 4.340 -0.003 0.000 0.287 454 L C 1.228 178.054 176.870 -0.074 0.000 1.241 454 L CA -0.013 54.784 54.840 -0.072 0.000 0.857 454 L CB 0.273 42.295 42.059 -0.062 0.000 1.113 454 L HN 0.859 nan 8.230 nan 0.000 0.504 455 A N 3.293 126.075 122.820 -0.063 0.000 2.477 455 A HA 0.432 4.750 4.320 -0.003 0.000 0.246 455 A C -0.150 177.398 177.584 -0.059 0.000 1.078 455 A CA -0.254 51.746 52.037 -0.061 0.000 0.770 455 A CB 0.281 19.250 19.000 -0.052 0.000 1.011 455 A HN 0.454 nan 8.150 nan 0.000 0.494 456 V N 5.833 125.710 119.914 -0.063 0.000 2.320 456 V HA 0.233 4.351 4.120 -0.003 0.000 0.268 456 V C -2.278 173.783 176.094 -0.055 0.000 1.021 456 V CA -1.100 61.166 62.300 -0.056 0.000 0.813 456 V CB 0.703 32.490 31.823 -0.059 0.000 1.054 456 V HN 0.859 nan 8.190 nan 0.000 0.444 457 P HA 0.300 nan 4.420 nan 0.000 0.269 457 P C 0.169 177.443 177.300 -0.044 0.000 1.209 457 P CA 0.144 63.216 63.100 -0.047 0.000 0.776 457 P CB 0.648 32.323 31.700 -0.042 0.000 0.876 458 A N 2.116 124.909 122.820 -0.045 0.000 2.425 458 A HA 0.534 4.853 4.320 -0.003 0.000 0.242 458 A C 0.734 178.302 177.584 -0.026 0.000 1.077 458 A CA 0.608 52.622 52.037 -0.039 0.000 0.781 458 A CB -0.270 18.702 19.000 -0.047 0.000 1.020 458 A HN 0.632 nan 8.150 nan 0.000 0.494 459 G N -0.348 108.446 108.800 -0.011 0.000 2.685 459 G HA2 0.520 4.478 3.960 -0.003 0.000 0.298 459 G HA3 0.520 4.478 3.960 -0.003 0.000 0.298 459 G C -0.416 174.492 174.900 0.013 0.000 1.277 459 G CA -0.540 44.559 45.100 -0.002 0.000 0.986 459 G HN 0.921 nan 8.290 nan 0.000 0.487 460 E N -0.734 119.478 120.200 0.020 0.000 2.467 460 E HA 0.172 4.521 4.350 -0.003 0.000 0.264 460 E C -0.608 176.032 176.600 0.066 0.000 1.020 460 E CA 0.512 56.938 56.400 0.042 0.000 0.945 460 E CB 0.351 30.075 29.700 0.039 0.000 0.942 460 E HN 0.195 nan 8.360 nan 0.000 0.449 461 T N 4.970 119.586 114.554 0.103 0.000 2.809 461 T HA 0.253 4.601 4.350 -0.003 0.000 0.284 461 T C -0.360 174.427 174.700 0.145 0.000 0.992 461 T CA -0.578 61.601 62.100 0.132 0.000 0.957 461 T CB 0.919 69.892 68.868 0.176 0.000 0.942 461 T HN 0.410 nan 8.240 nan 0.000 0.439 462 R N 4.504 125.012 120.500 0.014 0.000 2.308 462 R HA 0.346 4.684 4.340 -0.003 0.000 0.305 462 R C -2.513 173.605 176.300 -0.304 0.000 1.053 462 R CA -1.877 54.159 56.100 -0.107 0.000 0.957 462 R CB 0.578 30.824 30.300 -0.090 0.000 1.022 462 R HN 0.273 nan 8.270 nan 0.000 0.461 463 P HA 0.071 nan 4.420 nan 0.000 0.276 463 P C -1.056 175.753 177.300 -0.818 0.000 1.253 463 P CA -0.143 62.427 63.100 -0.884 0.000 0.766 463 P CB 1.189 32.405 31.700 -0.806 0.000 0.845 464 V N 4.931 124.288 119.914 -0.929 0.000 2.380 464 V HA 0.184 4.303 4.120 -0.003 0.000 0.272 464 V C 0.370 176.209 176.094 -0.425 0.000 1.011 464 V CA -0.266 61.726 62.300 -0.513 0.000 0.826 464 V CB 0.646 32.326 31.823 -0.239 0.000 1.040 464 V HN 0.594 nan 8.190 nan 0.000 0.441 465 W N 3.522 124.869 121.300 0.079 0.000 2.737 465 W HA 0.379 5.037 4.660 -0.003 0.000 0.262 465 W C 0.308 176.895 176.519 0.115 0.000 1.282 465 W CA -0.181 57.221 57.345 0.094 0.000 1.386 465 W CB 0.652 30.148 29.460 0.059 0.000 1.099 465 W HN 0.435 nan 8.180 nan 0.000 0.621 466 L N 0.449 121.851 121.223 0.298 0.000 2.811 466 L HA 0.327 4.666 4.340 -0.003 0.000 0.251 466 L C -0.822 176.208 176.870 0.267 0.000 0.971 466 L CA -0.991 54.018 54.840 0.281 0.000 0.990 466 L CB 0.360 42.535 42.059 0.193 0.000 1.320 466 L HN -0.300 nan 8.230 nan 0.000 0.473 467 V N 6.688 126.801 119.914 0.332 0.000 2.521 467 V HA 0.310 4.429 4.120 -0.003 0.000 0.286 467 V C -1.716 174.659 176.094 0.469 0.000 1.034 467 V CA -0.975 61.509 62.300 0.308 0.000 1.045 467 V CB 0.681 32.666 31.823 0.271 0.000 0.974 467 V HN 0.625 nan 8.190 nan 0.000 0.480 468 P HA 0.053 nan 4.420 nan 0.000 0.271 468 P C -0.130 177.406 177.300 0.394 0.000 1.233 468 P CA 0.014 63.376 63.100 0.438 0.000 0.789 468 P CB 0.426 32.275 31.700 0.247 0.000 0.951 469 S N 0.763 116.587 115.700 0.207 0.000 2.549 469 S HA 0.113 4.581 4.470 -0.003 0.000 0.279 469 S C 1.349 175.958 174.600 0.015 0.000 1.321 469 S CA -0.417 57.785 58.200 0.005 0.000 1.054 469 S CB -0.520 62.449 63.200 -0.385 0.000 0.899 469 S HN 0.295 nan 8.310 nan 0.000 0.497 470 L N 4.212 125.451 121.223 0.027 0.000 2.450 470 L HA -0.030 4.308 4.340 -0.003 0.000 0.224 470 L C 2.056 178.889 176.870 -0.062 0.000 1.149 470 L CA 0.674 55.515 54.840 0.001 0.000 0.816 470 L CB -0.261 41.810 42.059 0.020 0.000 0.932 470 L HN 0.583 nan 8.230 nan 0.000 0.449 471 S N -1.018 114.600 115.700 -0.137 0.000 2.535 471 S HA 0.395 4.864 4.470 -0.003 0.000 0.214 471 S C 0.683 174.921 174.600 -0.603 0.000 0.980 471 S CA 0.487 58.517 58.200 -0.282 0.000 0.907 471 S CB 0.702 63.772 63.200 -0.216 0.000 0.790 471 S HN 0.594 nan 8.310 nan 0.000 0.510 472 G N 0.649 109.175 108.800 -0.458 0.000 2.368 472 G HA2 0.117 4.075 3.960 -0.003 0.000 0.302 472 G HA3 0.117 4.075 3.960 -0.003 0.000 0.302 472 G C -1.246 173.658 174.900 0.006 0.000 1.329 472 G CA -0.510 44.381 45.100 -0.349 0.000 0.935 472 G HN -0.004 nan 8.290 nan 0.000 0.590 473 D N -0.523 119.968 120.400 0.152 0.000 2.389 473 D HA 0.177 4.815 4.640 -0.003 0.000 0.206 473 D C 0.632 177.119 176.300 0.313 0.000 1.055 473 D CA 0.615 54.763 54.000 0.248 0.000 0.856 473 D CB 0.409 41.276 40.800 0.112 0.000 0.957 473 D HN 0.541 nan 8.370 nan 0.000 0.509 474 D N -0.644 119.983 120.400 0.378 0.000 2.313 474 D HA 0.321 4.959 4.640 -0.003 0.000 0.247 474 D C 1.359 177.818 176.300 0.266 0.000 1.094 474 D CA -0.276 53.879 54.000 0.259 0.000 0.925 474 D CB 1.431 42.374 40.800 0.239 0.000 1.188 474 D HN -0.095 nan 8.370 nan 0.000 0.430 475 A N 2.610 125.486 122.820 0.092 0.000 1.917 475 A HA -0.181 4.137 4.320 -0.003 0.000 0.219 475 A C 2.271 179.863 177.584 0.012 0.000 1.182 475 A CA 1.720 53.791 52.037 0.058 0.000 0.633 475 A CB -1.115 17.863 19.000 -0.036 0.000 0.819 475 A HN 0.561 nan 8.150 nan 0.000 0.448 476 V N 0.214 120.037 119.914 -0.152 0.000 2.660 476 V HA -0.241 3.877 4.120 -0.003 0.000 0.257 476 V C 1.945 177.827 176.094 -0.352 0.000 1.088 476 V CA 2.234 64.361 62.300 -0.289 0.000 1.106 476 V CB -1.038 30.571 31.823 -0.357 0.000 0.686 476 V HN 0.725 nan 8.190 nan 0.000 0.481 477 H N -2.190 116.824 119.070 -0.095 0.000 2.547 477 H HA 0.070 4.624 4.556 -0.003 0.000 0.266 477 H C 0.743 175.708 175.328 -0.605 0.000 0.988 477 H CA 0.642 56.516 56.048 -0.290 0.000 1.147 477 H CB 0.039 29.616 29.762 -0.309 0.000 1.365 477 H HN 0.600 nan 8.280 nan 0.000 0.589 478 Y N 0.146 120.353 120.300 -0.155 0.000 2.681 478 Y HA 0.204 4.752 4.550 -0.003 0.000 0.267 478 Y C 1.605 177.335 175.900 -0.284 0.000 1.166 478 Y CA -0.305 57.630 58.100 -0.274 0.000 1.209 478 Y CB 0.528 38.747 38.460 -0.402 0.000 1.161 478 Y HN -0.073 nan 8.280 nan 0.000 0.534 479 K N -0.254 119.894 120.400 -0.420 0.000 2.459 479 K HA 0.072 4.390 4.320 -0.003 0.000 0.193 479 K C -0.266 175.696 176.600 -1.063 0.000 1.030 479 K CA 0.806 56.642 56.287 -0.750 0.000 1.026 479 K CB 0.095 32.005 32.500 -0.983 0.000 0.809 479 K HN 0.281 nan 8.250 nan 0.000 0.504 480 F N -0.745 119.108 119.950 -0.162 0.000 2.735 480 F HA 0.185 4.710 4.527 -0.003 0.000 0.304 480 F C -0.161 175.481 175.800 -0.263 0.000 1.119 480 F CA -0.762 57.074 58.000 -0.273 0.000 1.280 480 F CB -0.119 38.904 39.000 0.039 0.000 0.994 480 F HN -0.113 nan 8.300 nan 0.000 0.520 481 H N 0.477 119.385 119.070 -0.270 0.000 2.914 481 H HA 0.257 4.811 4.556 -0.003 0.000 0.264 481 H C -0.490 174.705 175.328 -0.221 0.000 1.433 481 H CA -0.817 55.170 56.048 -0.101 0.000 1.342 481 H CB -0.442 29.375 29.762 0.091 0.000 1.582 481 H HN -0.049 nan 8.280 nan 0.000 0.525 482 F N 1.721 121.690 119.950 0.032 0.000 2.495 482 F HA 0.023 4.548 4.527 -0.003 0.000 0.365 482 F C 1.193 176.999 175.800 0.010 0.000 1.090 482 F CA -0.054 57.951 58.000 0.009 0.000 1.235 482 F CB 0.776 39.745 39.000 -0.050 0.000 1.119 482 F HN 0.279 nan 8.300 nan 0.000 0.562 483 V N 0.427 120.445 119.914 0.173 0.000 2.806 483 V HA 0.014 4.132 4.120 -0.003 0.000 0.239 483 V C 0.182 176.345 176.094 0.116 0.000 1.113 483 V CA 0.815 63.194 62.300 0.132 0.000 1.137 483 V CB 0.066 31.947 31.823 0.097 0.000 0.865 483 V HN 0.651 nan 8.190 nan 0.000 0.482 484 D N 0.120 120.597 120.400 0.127 0.000 2.461 484 D HA 0.304 4.943 4.640 -0.003 0.000 0.240 484 D C 0.816 177.166 176.300 0.083 0.000 1.094 484 D CA -0.133 53.918 54.000 0.084 0.000 0.868 484 D CB 1.613 42.461 40.800 0.080 0.000 1.062 484 D HN 0.067 nan 8.370 nan 0.000 0.530 485 L N 2.575 123.774 121.223 -0.039 0.000 2.012 485 L HA -0.197 4.141 4.340 -0.003 0.000 0.210 485 L C 2.548 179.349 176.870 -0.115 0.000 1.073 485 L CA 1.296 56.040 54.840 -0.160 0.000 0.748 485 L CB -0.199 41.631 42.059 -0.383 0.000 0.891 485 L HN 0.474 nan 8.230 nan 0.000 0.431 486 Q N -0.262 119.485 119.800 -0.088 0.000 2.079 486 Q HA -0.163 4.175 4.340 -0.003 0.000 0.200 486 Q C 1.991 177.990 176.000 -0.002 0.000 0.974 486 Q CA 1.135 56.898 55.803 -0.068 0.000 0.840 486 Q CB 0.188 28.892 28.738 -0.055 0.000 0.898 486 Q HN 0.271 nan 8.270 nan 0.000 0.430 487 R N 0.835 121.377 120.500 0.070 0.000 2.323 487 R HA -0.014 4.324 4.340 -0.003 0.000 0.198 487 R C -0.243 176.223 176.300 0.277 0.000 0.988 487 R CA 0.423 56.631 56.100 0.180 0.000 1.041 487 R CB -0.286 30.103 30.300 0.148 0.000 0.926 487 R HN 0.307 nan 8.270 nan 0.000 0.476 488 D N 1.486 122.026 120.400 0.233 0.000 2.751 488 D HA -0.149 4.489 4.640 -0.003 0.000 0.233 488 D C -0.560 175.959 176.300 0.365 0.000 1.149 488 D CA 1.106 55.327 54.000 0.369 0.000 0.682 488 D CB -0.375 40.662 40.800 0.395 0.000 1.068 488 D HN 0.158 nan 8.370 nan 0.000 0.429 489 Q N -0.260 119.708 119.800 0.280 0.000 2.282 489 Q HA 0.585 4.923 4.340 -0.003 0.000 0.260 489 Q C 0.824 176.868 176.000 0.073 0.000 0.964 489 Q CA -0.277 55.607 55.803 0.136 0.000 0.880 489 Q CB 2.012 30.811 28.738 0.101 0.000 1.286 489 Q HN 0.367 nan 8.270 nan 0.000 0.445 490 T N -3.367 111.144 114.554 -0.071 0.000 2.858 490 T HA 0.433 4.781 4.350 -0.003 0.000 0.285 490 T C 1.163 175.818 174.700 -0.075 0.000 1.052 490 T CA -0.688 61.301 62.100 -0.185 0.000 1.009 490 T CB 0.562 69.184 68.868 -0.411 0.000 1.241 490 T HN 0.125 nan 8.240 nan 0.000 0.542 491 V N 1.158 121.053 119.914 -0.032 0.000 2.392 491 V HA -0.131 3.988 4.120 -0.003 0.000 0.249 491 V C 3.116 179.163 176.094 -0.079 0.000 1.059 491 V CA 2.505 64.784 62.300 -0.034 0.000 1.051 491 V CB -1.570 30.240 31.823 -0.022 0.000 0.658 491 V HN 1.047 nan 8.190 nan 0.000 0.455 492 A N -0.277 122.496 122.820 -0.079 0.000 1.933 492 A HA -0.239 4.079 4.320 -0.003 0.000 0.218 492 A C 2.014 179.550 177.584 -0.080 0.000 1.175 492 A CA 1.901 53.884 52.037 -0.090 0.000 0.628 492 A CB -0.486 18.436 19.000 -0.130 0.000 0.814 492 A HN 0.592 nan 8.150 nan 0.000 0.444 493 D N -0.114 120.246 120.400 -0.067 0.000 2.144 493 D HA -0.086 4.552 4.640 -0.003 0.000 0.200 493 D C 2.096 178.388 176.300 -0.014 0.000 0.978 493 D CA 1.407 55.398 54.000 -0.015 0.000 0.833 493 D CB -0.345 40.456 40.800 0.001 0.000 0.961 493 D HN 0.257 nan 8.370 nan 0.000 0.470 494 V N 1.723 121.613 119.914 -0.040 0.000 2.287 494 V HA -0.242 3.876 4.120 -0.003 0.000 0.248 494 V C 2.720 178.745 176.094 -0.115 0.000 1.053 494 V CA 1.252 63.513 62.300 -0.066 0.000 1.027 494 V CB -0.598 31.188 31.823 -0.062 0.000 0.646 494 V HN 0.172 nan 8.190 nan 0.000 0.447 495 L N -0.406 120.746 121.223 -0.117 0.000 2.127 495 L HA -0.197 4.142 4.340 -0.003 0.000 0.211 495 L C 2.711 179.497 176.870 -0.141 0.000 1.089 495 L CA 1.756 56.517 54.840 -0.132 0.000 0.757 495 L CB -0.560 41.423 42.059 -0.128 0.000 0.899 495 L HN 0.283 nan 8.230 nan 0.000 0.434 496 R N 0.124 120.551 120.500 -0.122 0.000 2.090 496 R HA -0.112 4.226 4.340 -0.003 0.000 0.228 496 R C 2.328 178.421 176.300 -0.346 0.000 1.110 496 R CA 1.159 57.184 56.100 -0.125 0.000 0.973 496 R CB -0.122 30.185 30.300 0.011 0.000 0.869 496 R HN 0.319 nan 8.270 nan 0.000 0.440 497 A N 0.315 122.826 122.820 -0.514 0.000 1.873 497 A HA -0.140 4.178 4.320 -0.003 0.000 0.215 497 A C 2.181 179.464 177.584 -0.502 0.000 1.186 497 A CA 1.934 53.406 52.037 -0.942 0.000 0.616 497 A CB -0.936 17.681 19.000 -0.637 0.000 0.823 497 A HN 0.600 nan 8.150 nan 0.000 0.442 498 T N -2.724 111.653 114.554 -0.295 0.000 2.867 498 T HA 0.053 4.401 4.350 -0.003 0.000 0.268 498 T C 1.846 176.441 174.700 -0.175 0.000 1.057 498 T CA 1.389 63.370 62.100 -0.199 0.000 1.136 498 T CB -0.741 68.039 68.868 -0.146 0.000 0.874 498 T HN 0.403 nan 8.240 nan 0.000 0.466 499 G N 1.136 109.829 108.800 -0.178 0.000 2.443 499 G HA2 0.133 4.091 3.960 -0.003 0.000 0.219 499 G HA3 0.133 4.091 3.960 -0.003 0.000 0.219 499 G C 1.664 176.481 174.900 -0.138 0.000 1.131 499 G CA 0.471 45.490 45.100 -0.135 0.000 0.775 499 G HN 0.737 nan 8.290 nan 0.000 0.547 500 A N -0.581 122.117 122.820 -0.204 0.000 2.238 500 A HA 0.482 4.800 4.320 -0.003 0.000 0.208 500 A C 1.928 179.424 177.584 -0.146 0.000 1.177 500 A CA 1.353 53.288 52.037 -0.171 0.000 0.804 500 A CB -0.292 18.573 19.000 -0.225 0.000 0.823 500 A HN 1.500 nan 8.150 nan 0.000 0.482 501 G N -2.159 106.553 108.800 -0.147 0.000 2.211 501 G HA2 -0.177 3.781 3.960 -0.003 0.000 0.201 501 G HA3 -0.177 3.781 3.960 -0.003 0.000 0.201 501 G C 0.127 174.958 174.900 -0.115 0.000 0.997 501 G CA 0.054 45.086 45.100 -0.113 0.000 0.652 501 G HN 0.320 nan 8.290 nan 0.000 0.500 502 M N 0.205 119.710 119.600 -0.157 0.000 2.314 502 M HA 0.598 5.076 4.480 -0.003 0.000 0.342 502 M C 1.159 177.429 176.300 -0.050 0.000 1.171 502 M CA 0.204 55.446 55.300 -0.098 0.000 1.098 502 M CB 1.616 34.124 32.600 -0.154 0.000 1.559 502 M HN 0.172 nan 8.290 nan 0.000 0.459 503 Q N -0.062 119.751 119.800 0.021 0.000 2.360 503 Q HA 0.150 4.488 4.340 -0.003 0.000 0.261 503 Q C 0.279 176.273 176.000 -0.011 0.000 0.802 503 Q CA -0.137 55.657 55.803 -0.014 0.000 0.983 503 Q CB 1.044 29.768 28.738 -0.024 0.000 1.211 503 Q HN 0.771 nan 8.270 nan 0.000 0.523 504 S N 0.218 115.929 115.700 0.019 0.000 2.560 504 S HA 0.025 4.493 4.470 -0.003 0.000 0.284 504 S C 1.259 175.829 174.600 -0.050 0.000 1.327 504 S CA -0.291 57.874 58.200 -0.059 0.000 1.055 504 S CB 1.271 64.361 63.200 -0.184 0.000 0.868 504 S HN 0.210 nan 8.310 nan 0.000 0.506 505 V N 4.402 124.272 119.914 -0.073 0.000 2.568 505 V HA -0.086 4.032 4.120 -0.003 0.000 0.253 505 V C 2.177 178.235 176.094 -0.059 0.000 1.072 505 V CA 2.203 64.463 62.300 -0.067 0.000 1.084 505 V CB -0.700 31.072 31.823 -0.086 0.000 0.676 505 V HN 0.914 nan 8.190 nan 0.000 0.469 506 E N -0.797 119.348 120.200 -0.092 0.000 2.107 506 E HA -0.167 4.182 4.350 -0.003 0.000 0.191 506 E C 1.943 178.538 176.600 -0.008 0.000 0.982 506 E CA 1.490 57.835 56.400 -0.091 0.000 0.809 506 E CB -0.335 29.271 29.700 -0.157 0.000 0.756 506 E HN 0.813 nan 8.360 nan 0.000 0.459 507 H N 0.397 119.454 119.070 -0.022 0.000 2.299 507 H HA -0.067 4.487 4.556 -0.003 0.000 0.302 507 H C 2.109 177.446 175.328 0.015 0.000 1.078 507 H CA 0.835 56.881 56.048 -0.003 0.000 1.323 507 H CB 0.193 29.942 29.762 -0.022 0.000 1.381 507 H HN 0.045 nan 8.280 nan 0.000 0.498 508 I N 1.488 122.125 120.570 0.112 0.000 2.264 508 I HA -0.279 3.889 4.170 -0.003 0.000 0.248 508 I C 2.346 178.508 176.117 0.075 0.000 1.111 508 I CA 1.378 62.709 61.300 0.052 0.000 1.382 508 I CB -1.045 36.952 38.000 -0.004 0.000 1.060 508 I HN 0.297 nan 8.210 nan 0.000 0.418 509 K N 1.328 121.757 120.400 0.048 0.000 2.009 509 K HA -0.187 4.132 4.320 -0.003 0.000 0.210 509 K C 2.334 178.969 176.600 0.057 0.000 1.049 509 K CA 1.700 58.005 56.287 0.031 0.000 0.929 509 K CB -0.056 32.439 32.500 -0.009 0.000 0.714 509 K HN 0.184 nan 8.250 nan 0.000 0.440 510 R N -1.153 119.396 120.500 0.081 0.000 2.119 510 R HA -0.069 4.269 4.340 -0.003 0.000 0.222 510 R C 2.267 178.619 176.300 0.087 0.000 1.088 510 R CA 1.156 57.300 56.100 0.074 0.000 0.984 510 R CB -0.266 30.085 30.300 0.086 0.000 0.884 510 R HN 0.325 nan 8.270 nan 0.000 0.447 511 Y N 1.134 121.431 120.300 -0.004 0.000 2.163 511 Y HA -0.222 4.326 4.550 -0.003 0.000 0.288 511 Y C 2.538 178.417 175.900 -0.036 0.000 1.136 511 Y CA 1.989 60.072 58.100 -0.029 0.000 1.147 511 Y CB 0.024 38.461 38.460 -0.038 0.000 0.987 511 Y HN 0.084 nan 8.280 nan 0.000 0.509 512 T N -3.401 111.279 114.554 0.209 0.000 3.009 512 T HA 0.023 4.372 4.350 -0.003 0.000 0.258 512 T C 1.265 175.985 174.700 0.034 0.000 1.063 512 T CA 0.888 63.059 62.100 0.118 0.000 1.139 512 T CB -0.470 68.463 68.868 0.108 0.000 0.890 512 T HN 0.639 nan 8.240 nan 0.000 0.471 513 S N -0.110 115.611 115.700 0.035 0.000 2.827 513 S HA -0.148 4.321 4.470 -0.003 0.000 0.269 513 S C 0.035 174.659 174.600 0.041 0.000 1.323 513 S CA 0.186 58.402 58.200 0.027 0.000 1.176 513 S CB -2.937 60.273 63.200 0.017 0.000 1.436 513 S HN 0.687 nan 8.310 nan 0.000 0.673 514 I N 2.957 123.553 120.570 0.043 0.000 2.683 514 I HA 0.243 4.411 4.170 -0.003 0.000 0.286 514 I C 1.491 177.622 176.117 0.024 0.000 1.175 514 I CA 1.428 62.753 61.300 0.042 0.000 1.429 514 I CB 0.739 38.764 38.000 0.042 0.000 1.371 514 I HN 1.239 nan 8.210 nan 0.000 0.569 515 S N 2.640 118.356 115.700 0.027 0.000 3.091 515 S HA -0.189 4.280 4.470 -0.003 0.000 0.275 515 S C 0.807 175.412 174.600 0.008 0.000 1.306 515 S CA 1.023 59.231 58.200 0.013 0.000 1.083 515 S CB -2.072 61.120 63.200 -0.013 0.000 1.313 515 S HN 0.944 nan 8.310 nan 0.000 0.673 516 T N -1.370 113.196 114.554 0.019 0.000 3.092 516 T HA 0.745 5.093 4.350 -0.003 0.000 0.258 516 T C 0.936 175.651 174.700 0.026 0.000 1.031 516 T CA 0.645 62.757 62.100 0.019 0.000 0.925 516 T CB 0.506 69.388 68.868 0.023 0.000 1.036 516 T HN 1.427 nan 8.240 nan 0.000 0.544 517 A N 2.669 125.505 122.820 0.025 0.000 2.262 517 A HA 0.406 4.725 4.320 -0.003 0.000 0.273 517 A C 1.415 179.002 177.584 0.004 0.000 1.202 517 A CA -0.023 52.024 52.037 0.016 0.000 0.811 517 A CB -0.192 18.815 19.000 0.010 0.000 1.159 517 A HN 0.632 nan 8.150 nan 0.000 0.505 518 N N -1.338 117.356 118.700 -0.010 0.000 2.571 518 N HA -0.111 4.628 4.740 -0.003 0.000 0.189 518 N C 0.266 175.759 175.510 -0.027 0.000 1.154 518 N CA 1.095 54.135 53.050 -0.018 0.000 0.907 518 N CB -0.022 38.449 38.487 -0.026 0.000 0.977 518 N HN 0.612 nan 8.380 nan 0.000 0.449 519 D N -0.726 119.662 120.400 -0.020 0.000 2.369 519 D HA -0.075 4.564 4.640 -0.003 0.000 0.211 519 D C -0.085 176.219 176.300 0.008 0.000 1.077 519 D CA -0.011 53.974 54.000 -0.024 0.000 0.842 519 D CB -0.281 40.508 40.800 -0.020 0.000 0.947 519 D HN 0.050 nan 8.370 nan 0.000 0.509 520 Q N 0.271 120.083 119.800 0.019 0.000 2.423 520 Q HA -0.188 4.150 4.340 -0.003 0.000 0.332 520 Q C 1.105 177.151 176.000 0.076 0.000 1.355 520 Q CA 1.186 57.015 55.803 0.043 0.000 0.947 520 Q CB -2.261 26.515 28.738 0.063 0.000 1.189 520 Q HN 0.768 nan 8.270 nan 0.000 0.418 521 G N -0.716 108.123 108.800 0.065 0.000 2.159 521 G HA2 -0.382 3.576 3.960 -0.003 0.000 0.256 521 G HA3 -0.382 3.576 3.960 -0.003 0.000 0.256 521 G C 0.920 175.919 174.900 0.164 0.000 0.977 521 G CA 0.705 45.853 45.100 0.080 0.000 0.652 521 G HN 0.449 nan 8.290 nan 0.000 0.531 522 K N -0.306 120.207 120.400 0.189 0.000 2.097 522 K HA -0.067 4.251 4.320 -0.003 0.000 0.206 522 K C 2.688 179.437 176.600 0.249 0.000 1.049 522 K CA 2.028 58.481 56.287 0.276 0.000 0.933 522 K CB -0.156 32.427 32.500 0.138 0.000 0.717 522 K HN 0.645 nan 8.250 nan 0.000 0.442 523 T N -3.145 111.510 114.554 0.169 0.000 2.990 523 T HA 0.027 4.375 4.350 -0.003 0.000 0.249 523 T C 1.784 176.586 174.700 0.171 0.000 1.039 523 T CA 0.463 62.676 62.100 0.187 0.000 1.036 523 T CB 0.309 69.293 68.868 0.193 0.000 0.994 523 T HN 0.112 nan 8.240 nan 0.000 0.489 524 S N 0.573 116.352 115.700 0.131 0.000 2.517 524 S HA 0.361 4.829 4.470 -0.003 0.000 0.214 524 S C 2.161 176.831 174.600 0.117 0.000 0.991 524 S CA 0.396 58.664 58.200 0.114 0.000 0.906 524 S CB -0.471 62.773 63.200 0.074 0.000 0.789 524 S HN 0.510 nan 8.310 nan 0.000 0.513 525 G N 2.033 110.907 108.800 0.123 0.000 2.434 525 G HA2 -0.076 3.882 3.960 -0.003 0.000 0.214 525 G HA3 -0.076 3.882 3.960 -0.003 0.000 0.214 525 G C 1.338 176.311 174.900 0.122 0.000 1.202 525 G CA 1.124 46.273 45.100 0.081 0.000 0.788 525 G HN 0.434 nan 8.290 nan 0.000 0.539 526 V N 1.558 121.604 119.914 0.219 0.000 2.591 526 V HA 0.004 4.122 4.120 -0.003 0.000 0.249 526 V C 3.289 179.530 176.094 0.244 0.000 1.053 526 V CA 1.563 64.035 62.300 0.286 0.000 1.068 526 V CB -0.610 31.478 31.823 0.443 0.000 0.689 526 V HN 0.468 nan 8.190 nan 0.000 0.462 527 A N 0.486 123.467 122.820 0.270 0.000 1.927 527 A HA -0.243 4.075 4.320 -0.003 0.000 0.220 527 A C 2.420 180.108 177.584 0.175 0.000 1.185 527 A CA 2.467 54.670 52.037 0.276 0.000 0.639 527 A CB -0.754 18.388 19.000 0.236 0.000 0.820 527 A HN 0.583 nan 8.150 nan 0.000 0.451 528 A N -0.310 122.576 122.820 0.109 0.000 1.898 528 A HA -0.017 4.301 4.320 -0.003 0.000 0.216 528 A C 2.101 179.680 177.584 -0.008 0.000 1.181 528 A CA 1.365 53.432 52.037 0.050 0.000 0.620 528 A CB -0.598 18.422 19.000 0.034 0.000 0.819 528 A HN 0.491 nan 8.150 nan 0.000 0.442 529 I N -0.050 120.505 120.570 -0.026 0.000 2.194 529 I HA -0.270 3.898 4.170 -0.003 0.000 0.246 529 I C 2.630 178.587 176.117 -0.267 0.000 1.093 529 I CA 1.320 62.551 61.300 -0.114 0.000 1.355 529 I CB -0.497 37.478 38.000 -0.042 0.000 1.046 529 I HN 0.407 nan 8.210 nan 0.000 0.413 530 G N -0.000 108.612 108.800 -0.312 0.000 2.394 530 G HA2 -0.140 3.819 3.960 -0.003 0.000 0.215 530 G HA3 -0.140 3.819 3.960 -0.003 0.000 0.215 530 G C 1.699 176.513 174.900 -0.144 0.000 1.165 530 G CA 0.659 45.428 45.100 -0.552 0.000 0.784 530 G HN 0.241 nan 8.290 nan 0.000 0.535 531 V N 1.236 121.149 119.914 -0.001 0.000 2.358 531 V HA -0.116 4.002 4.120 -0.003 0.000 0.246 531 V C 2.785 178.844 176.094 -0.059 0.000 1.047 531 V CA 1.340 63.651 62.300 0.018 0.000 1.035 531 V CB -0.338 31.509 31.823 0.040 0.000 0.658 531 V HN 0.387 nan 8.190 nan 0.000 0.452 532 I N 0.497 121.014 120.570 -0.088 0.000 2.208 532 I HA -0.261 3.907 4.170 -0.003 0.000 0.245 532 I C 2.684 178.725 176.117 -0.127 0.000 1.097 532 I CA 1.545 62.782 61.300 -0.104 0.000 1.363 532 I CB -0.645 37.294 38.000 -0.102 0.000 1.051 532 I HN 0.302 nan 8.210 nan 0.000 0.413 533 A N 0.860 123.572 122.820 -0.180 0.000 1.877 533 A HA -0.179 4.139 4.320 -0.003 0.000 0.216 533 A C 2.567 180.080 177.584 -0.118 0.000 1.186 533 A CA 1.981 53.902 52.037 -0.194 0.000 0.620 533 A CB -0.870 17.933 19.000 -0.329 0.000 0.822 533 A HN 0.437 nan 8.150 nan 0.000 0.443 534 A N -0.884 121.888 122.820 -0.080 0.000 1.877 534 A HA -0.012 4.306 4.320 -0.003 0.000 0.216 534 A C 2.238 179.786 177.584 -0.059 0.000 1.186 534 A CA 1.817 53.841 52.037 -0.021 0.000 0.620 534 A CB -0.920 18.104 19.000 0.041 0.000 0.822 534 A HN 0.415 nan 8.150 nan 0.000 0.443 535 V N -0.333 119.529 119.914 -0.087 0.000 2.548 535 V HA -0.098 4.021 4.120 -0.003 0.000 0.249 535 V C 2.071 178.109 176.094 -0.093 0.000 1.055 535 V CA 1.587 63.822 62.300 -0.109 0.000 1.065 535 V CB -0.324 31.423 31.823 -0.125 0.000 0.681 535 V HN 0.549 nan 8.190 nan 0.000 0.462 536 L N -0.099 121.072 121.223 -0.087 0.000 2.607 536 L HA 0.364 4.702 4.340 -0.003 0.000 0.228 536 L C 1.523 178.353 176.870 -0.066 0.000 1.123 536 L CA 0.657 55.451 54.840 -0.077 0.000 0.890 536 L CB -0.237 41.774 42.059 -0.081 0.000 1.103 536 L HN 0.468 nan 8.230 nan 0.000 0.468 537 G N 1.542 110.305 108.800 -0.062 0.000 2.295 537 G HA2 -0.251 3.707 3.960 -0.003 0.000 0.287 537 G HA3 -0.251 3.707 3.960 -0.003 0.000 0.287 537 G C 0.011 174.879 174.900 -0.053 0.000 1.055 537 G CA -0.136 44.936 45.100 -0.047 0.000 0.922 537 G HN 0.136 nan 8.290 nan 0.000 0.503 538 I N 0.187 120.711 120.570 -0.077 0.000 2.440 538 I HA 0.312 4.480 4.170 -0.003 0.000 0.294 538 I C 1.252 177.310 176.117 -0.098 0.000 0.995 538 I CA -1.103 60.141 61.300 -0.093 0.000 1.306 538 I CB 1.331 39.256 38.000 -0.125 0.000 1.407 538 I HN 0.140 nan 8.210 nan 0.000 0.501 539 E N 3.272 123.422 120.200 -0.084 0.000 2.102 539 E HA -0.025 4.323 4.350 -0.003 0.000 0.190 539 E C 0.588 177.112 176.600 -0.126 0.000 0.971 539 E CA 0.551 56.912 56.400 -0.064 0.000 0.821 539 E CB 0.201 29.886 29.700 -0.025 0.000 0.777 539 E HN 0.570 nan 8.360 nan 0.000 0.460 540 N N 1.715 120.311 118.700 -0.174 0.000 2.527 540 N HA 0.085 4.823 4.740 -0.003 0.000 0.236 540 N C -2.172 173.065 175.510 -0.455 0.000 0.999 540 N CA -1.782 51.097 53.050 -0.285 0.000 0.935 540 N CB 1.467 39.861 38.487 -0.156 0.000 1.132 540 N HN -0.286 nan 8.380 nan 0.000 0.511 541 P HA -0.204 nan 4.420 nan 0.000 0.218 541 P C 0.920 177.897 177.300 -0.539 0.000 1.150 541 P CA 1.152 63.711 63.100 -0.903 0.000 0.841 541 P CB 0.215 30.826 31.700 -1.816 0.000 0.784 542 A N -0.805 121.699 122.820 -0.527 0.000 2.076 542 A HA -0.262 4.056 4.320 -0.003 0.000 0.220 542 A C 2.176 179.759 177.584 -0.001 0.000 1.160 542 A CA 1.462 53.480 52.037 -0.032 0.000 0.653 542 A CB -1.031 18.003 19.000 0.057 0.000 0.801 542 A HN 0.265 nan 8.150 nan 0.000 0.455 543 Q N -0.807 118.932 119.800 -0.102 0.000 2.123 543 Q HA -0.082 4.256 4.340 -0.003 0.000 0.199 543 Q C 1.811 177.774 176.000 -0.062 0.000 0.966 543 Q CA 0.983 56.746 55.803 -0.068 0.000 0.845 543 Q CB -0.152 28.532 28.738 -0.089 0.000 0.907 543 Q HN 0.614 nan 8.270 nan 0.000 0.439 544 I N -0.126 120.389 120.570 -0.091 0.000 2.202 544 I HA -0.061 4.107 4.170 -0.003 0.000 0.242 544 I C 1.454 177.544 176.117 -0.044 0.000 1.091 544 I CA 1.673 62.924 61.300 -0.082 0.000 1.368 544 I CB -1.762 36.166 38.000 -0.119 0.000 1.058 544 I HN 0.284 nan 8.210 nan 0.000 0.410 545 G N 0.949 109.765 108.800 0.025 0.000 2.796 545 G HA2 -0.188 3.770 3.960 -0.003 0.000 0.226 545 G HA3 -0.188 3.770 3.960 -0.003 0.000 0.226 545 G C 0.133 174.939 174.900 -0.158 0.000 1.381 545 G CA 0.002 45.093 45.100 -0.015 0.000 0.867 545 G HN 0.610 nan 8.290 nan 0.000 0.552 546 T N -2.481 111.892 114.554 -0.301 0.000 2.952 546 T HA 0.804 5.152 4.350 -0.003 0.000 0.286 546 T C 0.874 175.421 174.700 -0.254 0.000 1.024 546 T CA 0.573 62.476 62.100 -0.329 0.000 1.029 546 T CB 1.499 70.128 68.868 -0.399 0.000 1.094 546 T HN 2.003 nan 8.240 nan 0.000 0.515 547 T N -0.113 114.256 114.554 -0.307 0.000 2.828 547 T HA 0.366 4.714 4.350 -0.003 0.000 0.290 547 T C 0.360 174.837 174.700 -0.371 0.000 1.019 547 T CA -0.763 61.168 62.100 -0.281 0.000 1.031 547 T CB -0.163 68.557 68.868 -0.248 0.000 1.001 547 T HN 0.750 nan 8.240 nan 0.000 0.531 548 T N 2.202 116.624 114.554 -0.220 0.000 2.934 548 T HA 0.175 4.523 4.350 -0.003 0.000 0.306 548 T C -0.245 174.312 174.700 -0.238 0.000 1.042 548 T CA 0.150 62.167 62.100 -0.138 0.000 1.145 548 T CB -0.469 68.368 68.868 -0.051 0.000 0.982 548 T HN 0.432 nan 8.240 nan 0.000 0.544 549 F N 3.055 122.975 119.950 -0.050 0.000 2.411 549 F HA 0.460 4.985 4.527 -0.003 0.000 0.350 549 F C 1.164 176.978 175.800 0.025 0.000 1.114 549 F CA -0.674 57.312 58.000 -0.024 0.000 1.135 549 F CB 0.823 39.791 39.000 -0.053 0.000 1.120 549 F HN 0.150 nan 8.300 nan 0.000 0.495 550 R N 1.915 122.545 120.500 0.216 0.000 2.750 550 R HA 0.671 5.009 4.340 -0.003 0.000 0.281 550 R C -0.584 175.844 176.300 0.213 0.000 0.972 550 R CA -1.225 54.976 56.100 0.169 0.000 0.912 550 R CB 1.867 32.236 30.300 0.114 0.000 1.187 550 R HN 0.699 nan 8.270 nan 0.000 0.464 551 A N 4.124 127.063 122.820 0.199 0.000 2.445 551 A HA 0.427 4.745 4.320 -0.003 0.000 0.242 551 A C -1.750 175.986 177.584 0.253 0.000 1.075 551 A CA -0.749 51.449 52.037 0.267 0.000 0.777 551 A CB -0.371 18.806 19.000 0.295 0.000 1.013 551 A HN 0.441 nan 8.150 nan 0.000 0.493 552 P HA 0.170 nan 4.420 nan 0.000 0.284 552 P C 0.107 177.588 177.300 0.301 0.000 1.258 552 P CA -0.365 62.940 63.100 0.343 0.000 0.824 552 P CB 0.722 32.445 31.700 0.037 0.000 1.038 553 Y N 2.401 122.853 120.300 0.254 0.000 2.114 553 Y HA -0.158 4.391 4.550 -0.003 0.000 0.282 553 Y C 0.882 176.861 175.900 0.132 0.000 1.165 553 Y CA 2.252 60.463 58.100 0.184 0.000 1.148 553 Y CB -0.434 38.106 38.460 0.133 0.000 0.972 553 Y HN 0.484 nan 8.280 nan 0.000 0.504 554 T N -2.314 112.197 114.554 -0.072 0.000 2.896 554 T HA 0.553 4.901 4.350 -0.003 0.000 0.297 554 T C -2.898 171.762 174.700 -0.067 0.000 1.108 554 T CA -2.201 59.803 62.100 -0.159 0.000 1.004 554 T CB 2.198 70.965 68.868 -0.168 0.000 1.159 554 T HN -0.203 nan 8.240 nan 0.000 0.499 555 P HA 0.455 nan 4.420 nan 0.000 0.272 555 P C -1.102 176.124 177.300 -0.124 0.000 1.223 555 P CA -0.542 62.512 63.100 -0.078 0.000 0.784 555 P CB 0.541 32.215 31.700 -0.043 0.000 0.923 556 V N 1.236 121.050 119.914 -0.167 0.000 2.577 556 V HA 0.280 4.398 4.120 -0.003 0.000 0.303 556 V C 0.189 176.241 176.094 -0.070 0.000 1.042 556 V CA -0.769 61.408 62.300 -0.205 0.000 0.872 556 V CB 1.676 33.189 31.823 -0.517 0.000 0.998 556 V HN 0.691 nan 8.190 nan 0.000 0.423 557 S N 4.153 119.825 115.700 -0.047 0.000 2.558 557 S HA 0.175 4.643 4.470 -0.003 0.000 0.288 557 S C 0.971 175.608 174.600 0.061 0.000 1.318 557 S CA -0.039 58.153 58.200 -0.013 0.000 1.056 557 S CB 0.186 63.336 63.200 -0.084 0.000 0.853 557 S HN 0.422 nan 8.310 nan 0.000 0.505 558 F N 2.377 122.235 119.950 -0.153 0.000 2.091 558 F HA -0.083 4.442 4.527 -0.003 0.000 0.299 558 F C 2.757 178.442 175.800 -0.192 0.000 1.103 558 F CA 1.174 59.095 58.000 -0.132 0.000 1.228 558 F CB -1.597 37.346 39.000 -0.094 0.000 0.984 558 F HN 0.815 nan 8.300 nan 0.000 0.477 559 A N -0.297 122.460 122.820 -0.106 0.000 1.930 559 A HA 0.027 4.346 4.320 -0.003 0.000 0.217 559 A C 2.454 179.662 177.584 -0.627 0.000 1.175 559 A CA 1.612 53.431 52.037 -0.362 0.000 0.627 559 A CB -1.223 17.492 19.000 -0.475 0.000 0.815 559 A HN 0.296 nan 8.150 nan 0.000 0.443 560 A N 0.016 122.385 122.820 -0.752 0.000 1.908 560 A HA -0.088 4.230 4.320 -0.003 0.000 0.218 560 A C 2.115 179.736 177.584 0.063 0.000 1.181 560 A CA 1.567 53.422 52.037 -0.302 0.000 0.627 560 A CB -0.638 18.308 19.000 -0.090 0.000 0.818 560 A HN 0.487 nan 8.150 nan 0.000 0.445 561 L N -0.989 120.249 121.223 0.025 0.000 2.201 561 L HA -0.143 4.195 4.340 -0.003 0.000 0.212 561 L C 2.904 179.899 176.870 0.208 0.000 1.105 561 L CA 0.866 55.803 54.840 0.161 0.000 0.775 561 L CB -0.451 41.633 42.059 0.041 0.000 0.913 561 L HN 0.433 nan 8.230 nan 0.000 0.440 562 A N -0.214 122.635 122.820 0.048 0.000 2.067 562 A HA 0.230 4.548 4.320 -0.003 0.000 0.217 562 A C 1.776 179.298 177.584 -0.104 0.000 1.156 562 A CA 0.931 52.955 52.037 -0.023 0.000 0.683 562 A CB -0.622 18.358 19.000 -0.035 0.000 0.808 562 A HN 0.475 nan 8.150 nan 0.000 0.455 563 G N -0.201 108.585 108.800 -0.022 0.000 2.611 563 G HA2 -0.341 3.617 3.960 -0.003 0.000 0.301 563 G HA3 -0.341 3.617 3.960 -0.003 0.000 0.301 563 G C 0.639 175.462 174.900 -0.128 0.000 1.233 563 G CA 0.450 45.489 45.100 -0.102 0.000 0.993 563 G HN 0.409 nan 8.290 nan 0.000 0.553 564 R N 1.007 121.386 120.500 -0.201 0.000 2.388 564 R HA 0.226 4.564 4.340 -0.003 0.000 0.247 564 R C 0.949 177.174 176.300 -0.126 0.000 0.931 564 R CA 0.656 56.648 56.100 -0.179 0.000 1.082 564 R CB -0.482 29.711 30.300 -0.177 0.000 1.135 564 R HN 0.405 nan 8.270 nan 0.000 0.525 565 T N 2.573 117.050 114.554 -0.129 0.000 4.098 565 T HA 0.259 4.607 4.350 -0.003 0.000 0.291 565 T C 0.214 174.875 174.700 -0.065 0.000 1.440 565 T CA -0.059 61.983 62.100 -0.096 0.000 1.164 565 T CB 0.082 68.886 68.868 -0.107 0.000 1.313 565 T HN -0.177 nan 8.240 nan 0.000 0.951 566 R N 0.345 120.814 120.500 -0.052 0.000 2.774 566 R HA 0.697 5.035 4.340 -0.003 0.000 0.272 566 R C 0.952 177.240 176.300 -0.020 0.000 1.000 566 R CA -0.222 55.861 56.100 -0.028 0.000 0.906 566 R CB 1.253 31.541 30.300 -0.021 0.000 1.227 566 R HN 0.520 nan 8.270 nan 0.000 0.468 567 G N 1.832 110.628 108.800 -0.007 0.000 2.651 567 G HA2 -0.372 3.586 3.960 -0.003 0.000 0.315 567 G HA3 -0.372 3.586 3.960 -0.003 0.000 0.315 567 G C 0.627 175.518 174.900 -0.014 0.000 1.258 567 G CA 0.642 45.740 45.100 -0.003 0.000 1.002 567 G HN 0.554 nan 8.290 nan 0.000 0.551 568 E N 0.578 120.769 120.200 -0.015 0.000 2.285 568 E HA 0.107 4.456 4.350 -0.003 0.000 0.194 568 E C 2.657 179.233 176.600 -0.039 0.000 0.997 568 E CA 0.583 56.967 56.400 -0.027 0.000 0.845 568 E CB -0.129 29.555 29.700 -0.026 0.000 0.782 568 E HN 0.548 nan 8.360 nan 0.000 0.491 569 L N 0.988 122.189 121.223 -0.037 0.000 2.650 569 L HA -0.030 4.308 4.340 -0.003 0.000 0.235 569 L C 2.096 178.934 176.870 -0.054 0.000 1.149 569 L CA -0.153 54.658 54.840 -0.048 0.000 0.887 569 L CB -0.302 41.729 42.059 -0.046 0.000 1.021 569 L HN 0.086 nan 8.230 nan 0.000 0.441 570 L N -0.359 120.836 121.223 -0.047 0.000 2.083 570 L HA 0.017 4.356 4.340 -0.003 0.000 0.209 570 L C 0.162 176.999 176.870 -0.055 0.000 1.083 570 L CA 1.799 56.611 54.840 -0.047 0.000 0.752 570 L CB -0.005 42.032 42.059 -0.035 0.000 0.899 570 L HN 0.171 nan 8.230 nan 0.000 0.433 571 D N -1.218 119.147 120.400 -0.060 0.000 2.886 571 D HA 0.318 4.956 4.640 -0.003 0.000 0.216 571 D C -2.732 173.517 176.300 -0.086 0.000 1.256 571 D CA -1.257 52.701 54.000 -0.070 0.000 0.844 571 D CB 1.612 42.374 40.800 -0.062 0.000 1.669 571 D HN -0.103 nan 8.370 nan 0.000 0.513 572 P HA 0.326 nan 4.420 nan 0.000 0.267 572 P C -1.145 176.067 177.300 -0.146 0.000 1.200 572 P CA -0.462 62.561 63.100 -0.129 0.000 0.772 572 P CB 0.672 32.279 31.700 -0.154 0.000 0.855 573 A N 4.158 126.888 122.820 -0.150 0.000 2.256 573 A HA 0.389 4.707 4.320 -0.003 0.000 0.317 573 A C 0.316 177.771 177.584 -0.213 0.000 1.318 573 A CA -0.771 51.168 52.037 -0.164 0.000 0.894 573 A CB 0.230 19.138 19.000 -0.153 0.000 1.165 573 A HN 0.440 nan 8.150 nan 0.000 0.525 574 R N 2.080 122.425 120.500 -0.260 0.000 2.308 574 R HA 0.539 4.877 4.340 -0.003 0.000 0.305 574 R C -0.992 175.265 176.300 -0.070 0.000 1.053 574 R CA -0.152 55.739 56.100 -0.348 0.000 0.957 574 R CB 0.903 30.633 30.300 -0.950 0.000 1.022 574 R HN 0.641 nan 8.270 nan 0.000 0.461 575 L N 2.573 123.765 121.223 -0.053 0.000 2.322 575 L HA 0.374 4.712 4.340 -0.003 0.000 0.281 575 L C 0.916 177.942 176.870 0.260 0.000 1.014 575 L CA -0.918 53.901 54.840 -0.035 0.000 0.815 575 L CB 1.808 43.711 42.059 -0.260 0.000 1.247 575 L HN 0.746 nan 8.230 nan 0.000 0.421 576 T N -0.663 114.086 114.554 0.325 0.000 2.754 576 T HA 0.301 4.649 4.350 -0.003 0.000 0.286 576 T C 1.234 176.046 174.700 0.188 0.000 0.997 576 T CA 0.059 62.310 62.100 0.251 0.000 0.982 576 T CB 1.363 70.303 68.868 0.119 0.000 1.027 576 T HN 0.643 nan 8.240 nan 0.000 0.529 577 A N 1.088 123.987 122.820 0.131 0.000 2.121 577 A HA 0.067 4.385 4.320 -0.003 0.000 0.218 577 A C 2.109 179.722 177.584 0.048 0.000 1.154 577 A CA 0.975 53.077 52.037 0.109 0.000 0.679 577 A CB -0.714 18.356 19.000 0.117 0.000 0.795 577 A HN 0.832 nan 8.150 nan 0.000 0.458 578 M N -1.779 117.797 119.600 -0.041 0.000 2.431 578 M HA 0.198 4.676 4.480 -0.003 0.000 0.237 578 M C 1.126 177.228 176.300 -0.330 0.000 1.130 578 M CA 0.490 55.599 55.300 -0.319 0.000 1.002 578 M CB -1.834 30.275 32.600 -0.818 0.000 1.524 578 M HN 0.452 nan 8.290 nan 0.000 0.482 579 H N 2.919 121.981 119.070 -0.012 0.000 2.353 579 H HA -0.076 4.479 4.556 -0.003 0.000 0.298 579 H C -0.900 174.498 175.328 0.117 0.000 1.103 579 H CA 2.850 58.992 56.048 0.157 0.000 1.293 579 H CB -1.117 28.711 29.762 0.110 0.000 1.372 579 H HN 0.191 nan 8.280 nan 0.000 0.501 580 P HA -0.144 nan 4.420 nan 0.000 0.218 580 P C 1.018 178.367 177.300 0.081 0.000 1.149 580 P CA 1.445 64.594 63.100 0.080 0.000 0.817 580 P CB -0.285 31.481 31.700 0.109 0.000 0.785 581 W N -0.164 121.039 121.300 -0.161 0.000 2.418 581 W HA -0.117 4.541 4.660 -0.003 0.000 0.292 581 W C 2.218 178.712 176.519 -0.041 0.000 1.213 581 W CA 1.430 58.711 57.345 -0.108 0.000 1.283 581 W CB -0.719 28.573 29.460 -0.280 0.000 1.119 581 W HN 0.090 nan 8.180 nan 0.000 0.542 582 H N -0.288 118.979 119.070 0.328 0.000 2.387 582 H HA -0.196 4.358 4.556 -0.003 0.000 0.299 582 H C 2.259 177.653 175.328 0.110 0.000 1.090 582 H CA 1.946 58.153 56.048 0.264 0.000 1.332 582 H CB -0.455 29.407 29.762 0.166 0.000 1.386 582 H HN 0.153 nan 8.280 nan 0.000 0.516 583 L N 0.155 121.482 121.223 0.173 0.000 1.976 583 L HA -0.154 4.185 4.340 -0.003 0.000 0.209 583 L C 2.723 179.614 176.870 0.035 0.000 1.071 583 L CA 0.921 55.837 54.840 0.126 0.000 0.746 583 L CB -0.504 41.582 42.059 0.044 0.000 0.890 583 L HN 0.346 nan 8.230 nan 0.000 0.432 584 A N -1.804 121.004 122.820 -0.020 0.000 2.178 584 A HA -0.185 4.133 4.320 -0.003 0.000 0.218 584 A C 1.600 178.991 177.584 -0.322 0.000 1.157 584 A CA 1.158 53.114 52.037 -0.135 0.000 0.689 584 A CB -0.657 18.263 19.000 -0.133 0.000 0.787 584 A HN 0.519 nan 8.150 nan 0.000 0.465 585 H N -1.570 117.313 119.070 -0.312 0.000 2.528 585 H HA 0.280 4.835 4.556 -0.003 0.000 0.282 585 H C 1.365 176.651 175.328 -0.071 0.000 1.097 585 H CA 0.272 56.126 56.048 -0.322 0.000 1.121 585 H CB 0.175 29.469 29.762 -0.780 0.000 1.590 585 H HN 0.593 nan 8.280 nan 0.000 0.553 586 G N 1.570 110.359 108.800 -0.019 0.000 2.198 586 G HA2 -0.295 3.663 3.960 -0.003 0.000 0.260 586 G HA3 -0.295 3.663 3.960 -0.003 0.000 0.260 586 G C 0.538 175.346 174.900 -0.154 0.000 1.025 586 G CA 0.261 45.335 45.100 -0.044 0.000 0.769 586 G HN 0.616 nan 8.290 nan 0.000 0.507 587 A N -0.232 122.400 122.820 -0.315 0.000 2.498 587 A HA 0.537 4.856 4.320 -0.003 0.000 0.239 587 A C 0.755 177.785 177.584 -0.924 0.000 1.068 587 A CA 0.332 51.843 52.037 -0.875 0.000 0.766 587 A CB 0.447 18.665 19.000 -1.303 0.000 1.003 587 A HN 0.264 nan 8.150 nan 0.000 0.497 588 K N 1.487 121.313 120.400 -0.956 0.000 2.172 588 K HA 0.502 4.820 4.320 -0.003 0.000 0.276 588 K C -1.028 175.146 176.600 -0.711 0.000 1.013 588 K CA 0.108 55.960 56.287 -0.726 0.000 0.913 588 K CB 0.742 32.720 32.500 -0.869 0.000 1.055 588 K HN 0.512 nan 8.250 nan 0.000 0.461 589 F N 0.715 120.646 119.950 -0.031 0.000 2.483 589 F HA 0.286 4.811 4.527 -0.003 0.000 0.329 589 F C 0.908 176.736 175.800 0.048 0.000 1.064 589 F CA -0.866 57.143 58.000 0.015 0.000 0.986 589 F CB 1.333 40.349 39.000 0.026 0.000 1.218 589 F HN 0.464 nan 8.300 nan 0.000 0.484 590 E N -0.400 119.874 120.200 0.124 0.000 2.277 590 E HA 0.357 4.705 4.350 -0.003 0.000 0.266 590 E C -1.764 174.823 176.600 -0.022 0.000 0.901 590 E CA -1.066 55.246 56.400 -0.147 0.000 0.782 590 E CB 1.483 30.806 29.700 -0.628 0.000 1.228 590 E HN 0.336 nan 8.360 nan 0.000 0.424 591 D N 2.103 122.469 120.400 -0.057 0.000 2.346 591 D HA 0.127 4.765 4.640 -0.003 0.000 0.260 591 D C -0.600 175.701 176.300 0.002 0.000 1.252 591 D CA -0.000 53.996 54.000 -0.007 0.000 0.895 591 D CB 1.355 42.142 40.800 -0.021 0.000 1.097 591 D HN 0.179 nan 8.370 nan 0.000 0.489 592 V N 3.009 122.972 119.914 0.080 0.000 2.284 592 V HA 0.425 4.543 4.120 -0.003 0.000 0.274 592 V C 1.266 177.467 176.094 0.178 0.000 1.023 592 V CA -0.243 62.125 62.300 0.113 0.000 0.808 592 V CB 0.693 32.587 31.823 0.118 0.000 1.035 592 V HN 0.854 nan 8.190 nan 0.000 0.445 593 G N 4.923 113.786 108.800 0.106 0.000 2.685 593 G HA2 -0.369 3.589 3.960 -0.003 0.000 0.329 593 G HA3 -0.369 3.589 3.960 -0.003 0.000 0.329 593 G C 0.692 175.612 174.900 0.035 0.000 1.271 593 G CA 1.072 46.215 45.100 0.072 0.000 1.003 593 G HN 0.623 nan 8.290 nan 0.000 0.549 594 Q N -0.337 119.446 119.800 -0.028 0.000 2.403 594 Q HA 0.199 4.537 4.340 -0.003 0.000 0.203 594 Q C 0.288 176.226 176.000 -0.103 0.000 0.932 594 Q CA -0.011 55.724 55.803 -0.112 0.000 0.945 594 Q CB 0.360 28.970 28.738 -0.213 0.000 1.045 594 Q HN 0.500 nan 8.270 nan 0.000 0.511 595 W N 1.688 122.964 121.300 -0.039 0.000 2.365 595 W HA 0.232 4.891 4.660 -0.003 0.000 0.316 595 W C 0.218 176.713 176.519 -0.040 0.000 1.164 595 W CA -0.854 56.466 57.345 -0.042 0.000 1.204 595 W CB 0.863 30.316 29.460 -0.011 0.000 1.213 595 W HN -0.343 nan 8.180 nan 0.000 0.539 596 K N 4.583 125.120 120.400 0.228 0.000 2.285 596 K HA 0.358 4.676 4.320 -0.003 0.000 0.286 596 K C -0.097 176.663 176.600 0.267 0.000 1.072 596 K CA -0.389 55.982 56.287 0.141 0.000 0.913 596 K CB 0.907 33.342 32.500 -0.108 0.000 1.067 596 K HN 0.476 nan 8.250 nan 0.000 0.479 597 R N 2.879 123.540 120.500 0.268 0.000 2.711 597 R HA 0.380 4.718 4.340 -0.003 0.000 0.284 597 R C -2.495 173.922 176.300 0.195 0.000 0.968 597 R CA -2.190 54.015 56.100 0.175 0.000 0.924 597 R CB 1.431 31.760 30.300 0.048 0.000 1.162 597 R HN 0.238 nan 8.270 nan 0.000 0.465 598 P HA -0.095 nan 4.420 nan 0.000 0.264 598 P C -0.410 176.822 177.300 -0.112 0.000 1.193 598 P CA 0.093 62.941 63.100 -0.421 0.000 0.763 598 P CB 0.407 31.716 31.700 -0.652 0.000 0.810 599 W N 6.403 127.482 121.300 -0.368 0.000 2.574 599 W HA 0.111 4.769 4.660 -0.003 0.000 0.282 599 W C -0.257 176.292 176.519 0.051 0.000 1.197 599 W CA 1.046 58.316 57.345 -0.124 0.000 1.376 599 W CB -0.097 29.312 29.460 -0.086 0.000 1.091 599 W HN 0.445 nan 8.180 nan 0.000 0.569 600 Y N -3.608 116.612 120.300 -0.134 0.000 2.702 600 Y HA 0.398 4.946 4.550 -0.003 0.000 0.336 600 Y C -2.209 173.582 175.900 -0.182 0.000 1.203 600 Y CA -2.335 55.714 58.100 -0.085 0.000 1.072 600 Y CB -0.154 38.198 38.460 -0.180 0.000 1.327 600 Y HN -0.157 nan 8.280 nan 0.000 0.456 601 Y N 2.752 123.136 120.300 0.139 0.000 2.712 601 Y HA 0.517 5.065 4.550 -0.003 0.000 0.328 601 Y C -2.627 173.366 175.900 0.155 0.000 0.995 601 Y CA -2.893 55.247 58.100 0.066 0.000 1.283 601 Y CB 0.999 39.548 38.460 0.149 0.000 1.092 601 Y HN 0.308 nan 8.280 nan 0.000 0.519 602 P HA 0.155 nan 4.420 nan 0.000 0.275 602 P C -0.846 176.548 177.300 0.158 0.000 1.227 602 P CA -0.258 62.983 63.100 0.236 0.000 0.781 602 P CB 1.403 33.247 31.700 0.239 0.000 0.906 603 Q N 0.418 120.298 119.800 0.134 0.000 2.387 603 Q HA 0.298 4.637 4.340 -0.003 0.000 0.273 603 Q C -0.564 175.479 176.000 0.071 0.000 1.089 603 Q CA -0.723 55.139 55.803 0.099 0.000 0.824 603 Q CB 1.229 30.029 28.738 0.104 0.000 1.367 603 Q HN 0.388 nan 8.270 nan 0.000 0.443 604 D N 0.843 121.273 120.400 0.051 0.000 2.697 604 D HA -0.183 4.455 4.640 -0.003 0.000 0.238 604 D C 0.592 176.913 176.300 0.034 0.000 1.152 604 D CA 1.407 55.430 54.000 0.038 0.000 0.666 604 D CB -1.452 39.370 40.800 0.037 0.000 1.037 604 D HN 1.073 nan 8.370 nan 0.000 0.423 605 G N 0.033 108.854 108.800 0.034 0.000 2.212 605 G HA2 -0.404 3.554 3.960 -0.003 0.000 0.267 605 G HA3 -0.404 3.554 3.960 -0.003 0.000 0.267 605 G C 0.246 175.163 174.900 0.029 0.000 1.002 605 G CA 0.893 46.011 45.100 0.030 0.000 0.729 605 G HN 0.603 nan 8.290 nan 0.000 0.517 606 E N 1.014 121.237 120.200 0.038 0.000 2.502 606 E HA 0.324 4.672 4.350 -0.003 0.000 0.261 606 E C 1.328 177.937 176.600 0.015 0.000 0.974 606 E CA 0.485 56.900 56.400 0.026 0.000 0.936 606 E CB 0.434 30.161 29.700 0.046 0.000 0.926 606 E HN 0.609 nan 8.360 nan 0.000 0.459 607 S N 3.040 118.723 115.700 -0.027 0.000 2.608 607 S HA -0.014 4.454 4.470 -0.003 0.000 0.261 607 S C 1.199 175.698 174.600 -0.168 0.000 1.314 607 S CA -0.589 57.571 58.200 -0.066 0.000 0.992 607 S CB 0.964 64.118 63.200 -0.076 0.000 0.935 607 S HN 0.755 nan 8.310 nan 0.000 0.564 608 M N 0.668 120.076 119.600 -0.319 0.000 2.088 608 M HA -0.231 4.247 4.480 -0.003 0.000 0.256 608 M C 1.188 177.150 176.300 -0.563 0.000 1.071 608 M CA 2.455 57.256 55.300 -0.832 0.000 1.097 608 M CB -0.789 31.249 32.600 -0.936 0.000 1.315 608 M HN 0.773 nan 8.290 nan 0.000 0.406 609 D N 0.293 120.505 120.400 -0.313 0.000 2.133 609 D HA -0.200 4.438 4.640 -0.003 0.000 0.195 609 D C 1.852 178.090 176.300 -0.103 0.000 0.997 609 D CA 1.879 55.774 54.000 -0.175 0.000 0.840 609 D CB -0.481 40.251 40.800 -0.113 0.000 0.947 609 D HN 0.597 nan 8.370 nan 0.000 0.452 610 E N 0.381 120.520 120.200 -0.102 0.000 2.106 610 E HA -0.082 4.266 4.350 -0.003 0.000 0.192 610 E C 2.087 178.693 176.600 0.011 0.000 0.984 610 E CA 0.999 57.375 56.400 -0.040 0.000 0.806 610 E CB -0.023 29.653 29.700 -0.041 0.000 0.750 610 E HN 0.224 nan 8.360 nan 0.000 0.458 611 A N 0.636 123.431 122.820 -0.042 0.000 1.897 611 A HA -0.093 4.226 4.320 -0.003 0.000 0.215 611 A C 2.438 180.044 177.584 0.036 0.000 1.181 611 A CA 0.855 52.912 52.037 0.033 0.000 0.620 611 A CB -0.414 18.651 19.000 0.108 0.000 0.821 611 A HN 0.108 nan 8.150 nan 0.000 0.443 612 V N -1.502 118.372 119.914 -0.065 0.000 2.358 612 V HA -0.248 3.871 4.120 -0.003 0.000 0.246 612 V C 2.283 178.400 176.094 0.039 0.000 1.047 612 V CA 1.958 64.244 62.300 -0.024 0.000 1.035 612 V CB -0.992 30.765 31.823 -0.109 0.000 0.658 612 V HN 0.687 nan 8.190 nan 0.000 0.452 613 Y N 1.337 121.603 120.300 -0.057 0.000 2.081 613 Y HA -0.332 4.216 4.550 -0.003 0.000 0.280 613 Y C 2.867 178.745 175.900 -0.037 0.000 1.163 613 Y CA 2.556 60.631 58.100 -0.042 0.000 1.135 613 Y CB -0.257 38.181 38.460 -0.037 0.000 0.970 613 Y HN 0.076 nan 8.280 nan 0.000 0.498 614 R N 0.426 121.038 120.500 0.187 0.000 2.127 614 R HA -0.224 4.114 4.340 -0.003 0.000 0.238 614 R C 1.989 178.294 176.300 0.008 0.000 1.134 614 R CA 2.143 58.300 56.100 0.096 0.000 0.975 614 R CB -0.310 30.059 30.300 0.115 0.000 0.865 614 R HN 0.522 nan 8.270 nan 0.000 0.447 615 E N -0.371 119.839 120.200 0.016 0.000 2.072 615 E HA -0.156 4.192 4.350 -0.003 0.000 0.190 615 E C 2.190 178.702 176.600 -0.148 0.000 0.982 615 E CA 1.533 57.928 56.400 -0.007 0.000 0.803 615 E CB 0.016 29.773 29.700 0.097 0.000 0.755 615 E HN 0.499 nan 8.360 nan 0.000 0.453 616 C N 1.050 120.234 119.300 -0.192 0.000 2.446 616 C HA -0.064 4.394 4.460 -0.003 0.000 0.277 616 C C 2.486 177.298 174.990 -0.297 0.000 1.275 616 C CA 0.272 59.121 59.018 -0.282 0.000 1.727 616 C CB -0.768 26.795 27.740 -0.295 0.000 2.010 616 C HN 0.379 nan 8.230 nan 0.000 0.486 617 K N 1.701 121.916 120.400 -0.310 0.000 2.001 617 K HA -0.218 4.100 4.320 -0.003 0.000 0.214 617 K C 2.246 178.747 176.600 -0.165 0.000 1.050 617 K CA 2.000 58.129 56.287 -0.264 0.000 0.934 617 K CB -0.445 31.909 32.500 -0.244 0.000 0.718 617 K HN 0.424 nan 8.250 nan 0.000 0.443 618 A N 0.592 123.341 122.820 -0.119 0.000 1.940 618 A HA -0.152 4.166 4.320 -0.003 0.000 0.219 618 A C 2.253 179.780 177.584 -0.095 0.000 1.176 618 A CA 1.995 53.989 52.037 -0.071 0.000 0.631 618 A CB -0.880 18.105 19.000 -0.024 0.000 0.814 618 A HN 0.384 nan 8.150 nan 0.000 0.446 619 V N -1.155 118.659 119.914 -0.167 0.000 2.591 619 V HA -0.117 4.001 4.120 -0.003 0.000 0.249 619 V C 2.144 178.158 176.094 -0.134 0.000 1.053 619 V CA 1.914 64.109 62.300 -0.176 0.000 1.068 619 V CB -0.704 30.915 31.823 -0.339 0.000 0.689 619 V HN 0.551 nan 8.190 nan 0.000 0.462 620 R N 0.019 120.426 120.500 -0.155 0.000 2.090 620 R HA -0.056 4.282 4.340 -0.003 0.000 0.228 620 R C 2.097 178.354 176.300 -0.071 0.000 1.110 620 R CA 1.616 57.648 56.100 -0.112 0.000 0.973 620 R CB -0.505 29.698 30.300 -0.161 0.000 0.869 620 R HN 0.502 nan 8.270 nan 0.000 0.440 621 D N -0.227 120.128 120.400 -0.075 0.000 2.144 621 D HA -0.102 4.536 4.640 -0.003 0.000 0.199 621 D C 1.525 177.806 176.300 -0.031 0.000 0.984 621 D CA 1.402 55.375 54.000 -0.045 0.000 0.834 621 D CB 0.177 40.953 40.800 -0.039 0.000 0.955 621 D HN 0.098 nan 8.370 nan 0.000 0.465 622 S N -2.107 113.572 115.700 -0.035 0.000 5.292 622 S HA 0.321 4.790 4.470 -0.003 0.000 0.140 622 S C -0.834 173.739 174.600 -0.045 0.000 1.134 622 S CA -0.087 58.098 58.200 -0.025 0.000 1.221 622 S CB 0.343 63.564 63.200 0.035 0.000 2.080 622 S HN -0.055 nan 8.310 nan 0.000 0.736 623 V N 0.539 120.447 119.914 -0.010 0.000 3.120 623 V HA 0.796 4.914 4.120 -0.003 0.000 0.303 623 V C -0.696 175.415 176.094 0.028 0.000 1.238 623 V CA 0.406 62.703 62.300 -0.005 0.000 1.008 623 V CB 1.491 33.301 31.823 -0.022 0.000 1.064 623 V HN 1.035 nan 8.190 nan 0.000 0.434 624 G N 4.405 113.243 108.800 0.064 0.000 2.660 624 G HA2 0.764 4.722 3.960 -0.003 0.000 0.294 624 G HA3 0.764 4.722 3.960 -0.003 0.000 0.294 624 G C -1.218 173.825 174.900 0.238 0.000 1.369 624 G CA -0.727 44.476 45.100 0.172 0.000 0.912 624 G HN 1.141 nan 8.290 nan 0.000 0.479 625 M N 0.144 119.870 119.600 0.211 0.000 2.518 625 M HA 0.875 5.353 4.480 -0.003 0.000 0.300 625 M C -1.894 174.367 176.300 -0.066 0.000 1.175 625 M CA -1.147 54.141 55.300 -0.021 0.000 0.890 625 M CB 2.607 34.942 32.600 -0.442 0.000 1.710 625 M HN 0.506 nan 8.290 nan 0.000 0.453 626 L N 1.944 123.139 121.223 -0.046 0.000 2.436 626 L HA 0.534 4.872 4.340 -0.003 0.000 0.268 626 L C -1.438 175.586 176.870 0.257 0.000 0.974 626 L CA 0.013 54.770 54.840 -0.139 0.000 0.826 626 L CB 2.069 43.774 42.059 -0.590 0.000 1.291 626 L HN 0.816 nan 8.230 nan 0.000 0.406 627 D N 4.175 124.720 120.400 0.242 0.000 2.383 627 D HA 0.345 4.984 4.640 -0.003 0.000 0.245 627 D C 0.421 176.714 176.300 -0.012 0.000 1.263 627 D CA 0.431 54.480 54.000 0.082 0.000 0.936 627 D CB 1.319 42.029 40.800 -0.151 0.000 1.053 627 D HN 0.693 nan 8.370 nan 0.000 0.507 628 A N 2.834 125.663 122.820 0.015 0.000 2.462 628 A HA 0.104 4.423 4.320 -0.003 0.000 0.261 628 A C 1.788 179.318 177.584 -0.090 0.000 1.323 628 A CA -0.273 51.739 52.037 -0.042 0.000 0.913 628 A CB -0.033 18.963 19.000 -0.007 0.000 1.028 628 A HN 0.438 nan 8.150 nan 0.000 0.511 629 S N 0.052 115.684 115.700 -0.115 0.000 2.500 629 S HA -0.127 4.341 4.470 -0.003 0.000 0.239 629 S C 1.955 176.380 174.600 -0.292 0.000 0.989 629 S CA 1.657 59.777 58.200 -0.132 0.000 0.951 629 S CB -0.446 62.699 63.200 -0.092 0.000 0.759 629 S HN 0.883 nan 8.310 nan 0.000 0.523 630 T N 0.152 114.395 114.554 -0.518 0.000 3.088 630 T HA 0.240 4.588 4.350 -0.003 0.000 0.259 630 T C 0.581 175.060 174.700 -0.368 0.000 1.122 630 T CA -0.137 61.419 62.100 -0.907 0.000 1.095 630 T CB -0.612 67.418 68.868 -1.397 0.000 0.930 630 T HN 0.203 nan 8.240 nan 0.000 0.508 631 L N 2.144 123.264 121.223 -0.172 0.000 2.514 631 L HA 0.360 4.698 4.340 -0.003 0.000 0.280 631 L C 1.361 178.249 176.870 0.029 0.000 1.223 631 L CA -0.314 54.503 54.840 -0.038 0.000 0.864 631 L CB -0.072 42.000 42.059 0.021 0.000 1.118 631 L HN 0.311 nan 8.230 nan 0.000 0.494 632 G N 2.698 111.528 108.800 0.050 0.000 2.483 632 G HA2 0.388 4.346 3.960 -0.003 0.000 0.248 632 G HA3 0.388 4.346 3.960 -0.003 0.000 0.248 632 G C -0.561 174.344 174.900 0.009 0.000 1.248 632 G CA -0.464 44.669 45.100 0.055 0.000 0.838 632 G HN 0.646 nan 8.290 nan 0.000 0.566 633 K N 1.033 121.420 120.400 -0.023 0.000 2.553 633 K HA 0.450 4.768 4.320 -0.003 0.000 0.250 633 K C -1.216 175.334 176.600 -0.082 0.000 0.953 633 K CA -0.509 55.705 56.287 -0.121 0.000 0.800 633 K CB 2.555 34.985 32.500 -0.116 0.000 1.243 633 K HN 0.363 nan 8.250 nan 0.000 0.435 634 I N 1.903 122.413 120.570 -0.101 0.000 2.512 634 I HA 0.214 4.382 4.170 -0.003 0.000 0.287 634 I C -0.731 175.367 176.117 -0.031 0.000 1.069 634 I CA -0.663 60.616 61.300 -0.036 0.000 1.056 634 I CB 2.249 40.251 38.000 0.003 0.000 1.229 634 I HN 0.590 nan 8.210 nan 0.000 0.429 635 E N 6.664 126.857 120.200 -0.012 0.000 2.197 635 E HA 0.587 4.935 4.350 -0.003 0.000 0.281 635 E C -1.229 175.405 176.600 0.055 0.000 0.995 635 E CA -0.471 55.935 56.400 0.011 0.000 0.808 635 E CB 1.337 31.033 29.700 -0.007 0.000 1.093 635 E HN 0.448 nan 8.360 nan 0.000 0.394 636 I N 4.590 125.225 120.570 0.108 0.000 2.418 636 I HA 0.426 4.594 4.170 -0.003 0.000 0.287 636 I C -0.268 175.951 176.117 0.169 0.000 1.008 636 I CA -0.660 60.729 61.300 0.148 0.000 1.104 636 I CB 1.698 39.813 38.000 0.192 0.000 1.264 636 I HN 0.385 nan 8.210 nan 0.000 0.438 637 R N 4.573 125.144 120.500 0.119 0.000 2.575 637 R HA 0.835 5.173 4.340 -0.003 0.000 0.293 637 R C -0.888 175.464 176.300 0.088 0.000 0.983 637 R CA -0.492 55.671 56.100 0.105 0.000 0.887 637 R CB 2.220 32.556 30.300 0.060 0.000 1.184 637 R HN 0.878 nan 8.270 nan 0.000 0.445 638 G N 2.002 110.863 108.800 0.102 0.000 2.347 638 G HA2 0.007 3.965 3.960 -0.003 0.000 0.303 638 G HA3 0.007 3.965 3.960 -0.003 0.000 0.303 638 G C -0.574 174.379 174.900 0.088 0.000 1.481 638 G CA -0.809 44.334 45.100 0.071 0.000 0.914 638 G HN 0.545 nan 8.290 nan 0.000 0.638 639 K N -0.536 119.900 120.400 0.061 0.000 2.160 639 K HA -0.058 4.260 4.320 -0.003 0.000 0.206 639 K C 1.115 177.762 176.600 0.079 0.000 1.047 639 K CA 1.805 58.130 56.287 0.063 0.000 0.930 639 K CB 0.121 32.645 32.500 0.039 0.000 0.720 639 K HN 0.412 nan 8.250 nan 0.000 0.450 640 D N -0.442 120.000 120.400 0.070 0.000 2.342 640 D HA 0.109 4.747 4.640 -0.003 0.000 0.221 640 D C 1.264 177.640 176.300 0.126 0.000 1.101 640 D CA 0.213 54.255 54.000 0.071 0.000 0.837 640 D CB 0.485 41.301 40.800 0.026 0.000 0.938 640 D HN 0.154 nan 8.370 nan 0.000 0.508 641 A N 1.377 124.301 122.820 0.174 0.000 1.865 641 A HA -0.151 4.167 4.320 -0.003 0.000 0.217 641 A C 2.334 179.986 177.584 0.113 0.000 1.191 641 A CA 2.075 54.250 52.037 0.229 0.000 0.623 641 A CB -0.508 18.722 19.000 0.383 0.000 0.826 641 A HN 0.268 nan 8.150 nan 0.000 0.444 642 A N -0.523 122.401 122.820 0.173 0.000 1.898 642 A HA -0.101 4.217 4.320 -0.003 0.000 0.216 642 A C 1.995 179.584 177.584 0.008 0.000 1.181 642 A CA 2.153 54.221 52.037 0.051 0.000 0.620 642 A CB -0.443 18.733 19.000 0.293 0.000 0.819 642 A HN 0.589 nan 8.150 nan 0.000 0.442 643 E N -0.614 119.618 120.200 0.054 0.000 2.047 643 E HA -0.166 4.182 4.350 -0.003 0.000 0.191 643 E C 1.668 178.263 176.600 -0.008 0.000 0.987 643 E CA 1.356 57.765 56.400 0.014 0.000 0.799 643 E CB -0.618 29.086 29.700 0.007 0.000 0.752 643 E HN 0.435 nan 8.360 nan 0.000 0.449 644 F N 0.642 120.513 119.950 -0.131 0.000 2.087 644 F HA -0.209 4.316 4.527 -0.003 0.000 0.299 644 F C 1.792 177.499 175.800 -0.155 0.000 1.100 644 F CA 1.337 59.251 58.000 -0.143 0.000 1.226 644 F CB -0.646 38.314 39.000 -0.067 0.000 0.983 644 F HN 0.162 nan 8.300 nan 0.000 0.479 645 L N 0.643 121.675 121.223 -0.319 0.000 2.131 645 L HA -0.224 4.114 4.340 -0.003 0.000 0.210 645 L C 2.101 178.827 176.870 -0.240 0.000 1.092 645 L CA 1.512 56.083 54.840 -0.448 0.000 0.759 645 L CB -1.579 40.134 42.059 -0.577 0.000 0.903 645 L HN 0.145 nan 8.230 nan 0.000 0.435 646 N N -0.508 118.126 118.700 -0.109 0.000 2.309 646 N HA -0.117 4.621 4.740 -0.003 0.000 0.182 646 N C 1.874 177.361 175.510 -0.039 0.000 1.018 646 N CA 0.838 53.886 53.050 -0.002 0.000 0.876 646 N CB -0.079 38.420 38.487 0.019 0.000 0.972 646 N HN 0.339 nan 8.380 nan 0.000 0.434 647 R N -0.712 119.685 120.500 -0.172 0.000 2.119 647 R HA 0.155 4.493 4.340 -0.003 0.000 0.222 647 R C 1.438 177.628 176.300 -0.184 0.000 1.088 647 R CA 0.719 56.708 56.100 -0.185 0.000 0.984 647 R CB 0.048 30.122 30.300 -0.378 0.000 0.884 647 R HN 0.183 nan 8.270 nan 0.000 0.447 648 M N -0.776 118.603 119.600 -0.368 0.000 2.429 648 M HA 0.089 4.567 4.480 -0.003 0.000 0.265 648 M C 0.301 176.406 176.300 -0.325 0.000 1.120 648 M CA 0.917 55.955 55.300 -0.436 0.000 1.173 648 M CB -0.226 31.915 32.600 -0.765 0.000 1.343 648 M HN -0.116 nan 8.290 nan 0.000 0.464 649 Y N 0.740 120.862 120.300 -0.298 0.000 2.354 649 Y HA 0.118 4.667 4.550 -0.003 0.000 0.322 649 Y C 2.040 177.652 175.900 -0.481 0.000 1.253 649 Y CA -0.030 57.892 58.100 -0.297 0.000 1.272 649 Y CB 0.640 38.956 38.460 -0.241 0.000 1.255 649 Y HN 0.264 nan 8.280 nan 0.000 0.500 650 T N -2.206 112.059 114.554 -0.482 0.000 2.904 650 T HA -0.069 4.279 4.350 -0.003 0.000 0.267 650 T C 0.439 174.699 174.700 -0.733 0.000 1.059 650 T CA 0.776 62.084 62.100 -1.320 0.000 1.137 650 T CB -0.429 67.998 68.868 -0.735 0.000 0.879 650 T HN 0.618 nan 8.240 nan 0.000 0.467 651 N N 1.439 119.982 118.700 -0.261 0.000 2.485 651 N HA 0.503 5.242 4.740 -0.003 0.000 0.280 651 N C 0.039 175.531 175.510 -0.031 0.000 1.205 651 N CA -0.686 52.293 53.050 -0.118 0.000 0.959 651 N CB 0.737 39.151 38.487 -0.122 0.000 1.206 651 N HN 0.281 nan 8.380 nan 0.000 0.545 652 G N -1.510 107.230 108.800 -0.100 0.000 2.448 652 G HA2 0.416 4.374 3.960 -0.003 0.000 0.285 652 G HA3 0.416 4.374 3.960 -0.003 0.000 0.285 652 G C -0.937 173.797 174.900 -0.277 0.000 1.176 652 G CA -0.384 44.683 45.100 -0.055 0.000 0.852 652 G HN 0.627 nan 8.290 nan 0.000 0.530 653 Y N -0.518 119.752 120.300 -0.050 0.000 2.540 653 Y HA 0.080 4.629 4.550 -0.003 0.000 0.257 653 Y C 2.722 178.659 175.900 0.061 0.000 1.090 653 Y CA 0.469 58.545 58.100 -0.039 0.000 1.242 653 Y CB 0.811 39.159 38.460 -0.187 0.000 1.325 653 Y HN 0.648 nan 8.280 nan 0.000 0.544 654 T N -2.060 112.577 114.554 0.138 0.000 2.904 654 T HA -0.076 4.272 4.350 -0.003 0.000 0.267 654 T C 1.488 176.257 174.700 0.115 0.000 1.059 654 T CA 0.989 63.173 62.100 0.140 0.000 1.137 654 T CB 0.019 68.942 68.868 0.092 0.000 0.879 654 T HN 0.019 nan 8.240 nan 0.000 0.467 655 K N 0.688 121.128 120.400 0.066 0.000 2.404 655 K HA 0.321 4.639 4.320 -0.003 0.000 0.194 655 K C 0.548 177.172 176.600 0.039 0.000 1.023 655 K CA -0.305 56.007 56.287 0.042 0.000 1.094 655 K CB -0.230 32.278 32.500 0.013 0.000 0.841 655 K HN 0.347 nan 8.250 nan 0.000 0.523 656 L N 2.609 123.871 121.223 0.064 0.000 2.540 656 L HA -0.029 4.310 4.340 -0.003 0.000 0.276 656 L C -0.191 176.724 176.870 0.074 0.000 1.212 656 L CA 0.492 55.373 54.840 0.069 0.000 0.893 656 L CB 0.199 42.344 42.059 0.143 0.000 1.138 656 L HN -0.068 nan 8.230 nan 0.000 0.491 657 K N 4.000 124.418 120.400 0.030 0.000 2.298 657 K HA 0.258 4.576 4.320 -0.003 0.000 0.280 657 K C -0.532 176.063 176.600 -0.008 0.000 1.032 657 K CA -0.733 55.554 56.287 -0.000 0.000 0.958 657 K CB 0.905 33.388 32.500 -0.029 0.000 0.978 657 K HN 0.478 nan 8.250 nan 0.000 0.472 658 V N 2.738 122.632 119.914 -0.034 0.000 2.681 658 V HA -0.065 4.053 4.120 -0.003 0.000 0.306 658 V C 1.447 177.463 176.094 -0.131 0.000 1.077 658 V CA 1.849 64.117 62.300 -0.052 0.000 1.224 658 V CB 0.088 31.873 31.823 -0.064 0.000 0.879 658 V HN 1.162 nan 8.190 nan 0.000 0.494 659 G N 3.994 112.671 108.800 -0.206 0.000 2.176 659 G HA2 -0.174 3.784 3.960 -0.003 0.000 0.232 659 G HA3 -0.174 3.784 3.960 -0.003 0.000 0.232 659 G C -0.139 174.480 174.900 -0.468 0.000 0.986 659 G CA 0.081 44.707 45.100 -0.790 0.000 0.643 659 G HN 0.458 nan 8.290 nan 0.000 0.522 660 M N 0.075 119.659 119.600 -0.026 0.000 2.716 660 M HA 0.701 5.180 4.480 -0.003 0.000 0.307 660 M C 0.551 176.999 176.300 0.246 0.000 1.223 660 M CA -0.188 55.156 55.300 0.074 0.000 0.871 660 M CB 1.593 34.193 32.600 0.001 0.000 1.739 660 M HN 0.409 nan 8.290 nan 0.000 0.475 661 G N 0.647 109.543 108.800 0.160 0.000 2.537 661 G HA2 0.814 4.772 3.960 -0.003 0.000 0.308 661 G HA3 0.814 4.772 3.960 -0.003 0.000 0.308 661 G C -1.463 173.470 174.900 0.055 0.000 1.237 661 G CA -0.606 44.583 45.100 0.148 0.000 0.968 661 G HN 0.669 nan 8.290 nan 0.000 0.481 662 R N 0.002 120.554 120.500 0.087 0.000 2.522 662 R HA 0.340 4.678 4.340 -0.003 0.000 0.283 662 R C -1.751 174.591 176.300 0.070 0.000 1.074 662 R CA -0.843 55.269 56.100 0.020 0.000 0.925 662 R CB 1.625 31.826 30.300 -0.166 0.000 1.205 662 R HN 0.620 nan 8.270 nan 0.000 0.436 663 Y N 3.008 123.292 120.300 -0.027 0.000 2.442 663 Y HA 0.484 5.032 4.550 -0.003 0.000 0.330 663 Y C -0.149 175.738 175.900 -0.021 0.000 1.129 663 Y CA 1.075 59.171 58.100 -0.007 0.000 1.365 663 Y CB 1.064 39.548 38.460 0.041 0.000 1.233 663 Y HN 0.723 nan 8.280 nan 0.000 0.529 664 G N 3.886 112.163 108.800 -0.871 0.000 2.680 664 G HA2 0.608 4.566 3.960 -0.003 0.000 0.290 664 G HA3 0.608 4.566 3.960 -0.003 0.000 0.290 664 G C -2.176 172.321 174.900 -0.671 0.000 1.355 664 G CA -0.901 43.753 45.100 -0.744 0.000 0.903 664 G HN 0.623 nan 8.290 nan 0.000 0.474 665 V N 0.844 120.635 119.914 -0.206 0.000 2.588 665 V HA 0.528 4.646 4.120 -0.003 0.000 0.304 665 V C -0.162 175.940 176.094 0.013 0.000 1.042 665 V CA -0.484 61.750 62.300 -0.110 0.000 0.877 665 V CB 1.676 33.426 31.823 -0.122 0.000 0.996 665 V HN 0.724 nan 8.190 nan 0.000 0.425 666 M N 3.979 123.530 119.600 -0.082 0.000 2.238 666 M HA 0.493 4.971 4.480 -0.003 0.000 0.350 666 M C -0.745 175.584 176.300 0.047 0.000 1.138 666 M CA -0.090 55.155 55.300 -0.091 0.000 1.040 666 M CB 1.466 33.949 32.600 -0.194 0.000 1.639 666 M HN 0.542 nan 8.290 nan 0.000 0.451 667 C N 2.287 121.657 119.300 0.116 0.000 2.358 667 C HA 0.555 5.014 4.460 -0.003 0.000 0.354 667 C C 0.659 175.726 174.990 0.129 0.000 1.183 667 C CA -1.148 57.964 59.018 0.156 0.000 2.150 667 C CB 1.283 29.142 27.740 0.198 0.000 2.361 667 C HN 0.696 nan 8.230 nan 0.000 0.535 668 K N 0.943 121.345 120.400 0.003 0.000 2.117 668 K HA 0.322 4.640 4.320 -0.003 0.000 0.240 668 K C 1.108 177.813 176.600 0.175 0.000 1.031 668 K CA -0.092 56.161 56.287 -0.056 0.000 0.909 668 K CB 0.296 32.648 32.500 -0.246 0.000 1.097 668 K HN 0.757 nan 8.250 nan 0.000 0.492 669 A N 1.152 124.160 122.820 0.313 0.000 2.076 669 A HA -0.190 4.129 4.320 -0.003 0.000 0.220 669 A C 1.149 178.781 177.584 0.079 0.000 1.160 669 A CA 2.155 54.326 52.037 0.222 0.000 0.653 669 A CB -0.598 18.580 19.000 0.296 0.000 0.801 669 A HN 0.754 nan 8.150 nan 0.000 0.455 670 D N -2.049 118.392 120.400 0.068 0.000 2.363 670 D HA 0.247 4.885 4.640 -0.003 0.000 0.226 670 D C 1.191 177.516 176.300 0.042 0.000 1.020 670 D CA 0.883 54.909 54.000 0.043 0.000 0.892 670 D CB -0.756 40.072 40.800 0.047 0.000 0.900 670 D HN 0.760 nan 8.370 nan 0.000 0.531 671 G N -0.292 108.513 108.800 0.008 0.000 2.179 671 G HA2 -0.274 3.684 3.960 -0.003 0.000 0.260 671 G HA3 -0.274 3.684 3.960 -0.003 0.000 0.260 671 G C 0.159 175.210 174.900 0.251 0.000 0.977 671 G CA 0.413 45.527 45.100 0.024 0.000 0.641 671 G HN 0.257 nan 8.290 nan 0.000 0.533 672 M N 0.823 120.521 119.600 0.165 0.000 2.216 672 M HA 0.439 4.917 4.480 -0.003 0.000 0.356 672 M C 1.169 177.566 176.300 0.160 0.000 1.205 672 M CA -1.197 54.204 55.300 0.167 0.000 1.122 672 M CB 0.647 33.317 32.600 0.117 0.000 1.571 672 M HN 0.121 nan 8.290 nan 0.000 0.464 673 I N 3.312 123.980 120.570 0.163 0.000 2.828 673 I HA -0.212 3.956 4.170 -0.003 0.000 0.292 673 I C 0.917 177.124 176.117 0.149 0.000 1.206 673 I CA 0.376 61.757 61.300 0.135 0.000 1.420 673 I CB 0.006 38.073 38.000 0.112 0.000 1.368 673 I HN 0.666 nan 8.210 nan 0.000 0.556 674 F N 5.865 125.769 119.950 -0.076 0.000 2.514 674 F HA 0.303 4.828 4.527 -0.003 0.000 0.281 674 F C 0.431 176.163 175.800 -0.112 0.000 1.060 674 F CA 0.334 58.246 58.000 -0.146 0.000 1.397 674 F CB 0.367 39.175 39.000 -0.320 0.000 1.129 674 F HN 0.500 nan 8.300 nan 0.000 0.620 675 D N -0.879 119.238 120.400 -0.471 0.000 2.692 675 D HA 0.330 4.968 4.640 -0.003 0.000 0.290 675 D C -2.022 174.129 176.300 -0.248 0.000 1.281 675 D CA -0.350 53.359 54.000 -0.485 0.000 0.804 675 D CB 1.744 42.035 40.800 -0.849 0.000 1.331 675 D HN 0.177 nan 8.370 nan 0.000 0.432 676 D N -0.183 120.117 120.400 -0.166 0.000 2.692 676 D HA 0.688 5.327 4.640 -0.003 0.000 0.303 676 D C -0.090 176.163 176.300 -0.077 0.000 1.278 676 D CA -0.302 53.627 54.000 -0.120 0.000 0.852 676 D CB 0.999 41.772 40.800 -0.045 0.000 1.375 676 D HN 0.761 nan 8.370 nan 0.000 0.453 677 G N -1.647 107.081 108.800 -0.120 0.000 2.350 677 G HA2 0.436 4.394 3.960 -0.003 0.000 0.282 677 G HA3 0.436 4.394 3.960 -0.003 0.000 0.282 677 G C -1.950 172.945 174.900 -0.009 0.000 1.314 677 G CA -0.262 44.836 45.100 -0.003 0.000 0.915 677 G HN 0.793 nan 8.290 nan 0.000 0.499 678 V N 0.572 120.531 119.914 0.074 0.000 2.459 678 V HA 0.714 4.832 4.120 -0.003 0.000 0.295 678 V C 0.081 176.290 176.094 0.191 0.000 1.029 678 V CA -0.405 61.948 62.300 0.088 0.000 0.874 678 V CB 1.632 33.474 31.823 0.031 0.000 0.985 678 V HN 0.876 nan 8.190 nan 0.000 0.438 679 T N 6.406 121.046 114.554 0.143 0.000 2.797 679 T HA 0.628 4.976 4.350 -0.003 0.000 0.279 679 T C -0.314 174.538 174.700 0.253 0.000 0.991 679 T CA -0.324 61.885 62.100 0.182 0.000 0.979 679 T CB 0.905 69.801 68.868 0.046 0.000 0.943 679 T HN 0.347 nan 8.240 nan 0.000 0.444 680 L N 2.809 124.153 121.223 0.201 0.000 2.325 680 L HA 0.569 4.907 4.340 -0.003 0.000 0.279 680 L C 0.724 177.699 176.870 0.175 0.000 1.054 680 L CA -0.941 53.979 54.840 0.133 0.000 0.804 680 L CB 1.042 42.947 42.059 -0.258 0.000 1.200 680 L HN 0.412 nan 8.230 nan 0.000 0.436 681 R N 2.706 123.331 120.500 0.208 0.000 2.204 681 R HA 0.308 4.646 4.340 -0.003 0.000 0.341 681 R C 0.548 176.855 176.300 0.012 0.000 1.035 681 R CA -0.341 55.661 56.100 -0.163 0.000 0.887 681 R CB 0.557 30.748 30.300 -0.182 0.000 1.114 681 R HN 0.763 nan 8.270 nan 0.000 0.473 682 L N 2.765 123.906 121.223 -0.137 0.000 2.240 682 L HA 0.217 4.555 4.340 -0.003 0.000 0.211 682 L C 0.770 177.655 176.870 0.025 0.000 1.106 682 L CA 0.692 55.559 54.840 0.046 0.000 0.793 682 L CB -0.122 41.899 42.059 -0.063 0.000 0.927 682 L HN 0.722 nan 8.230 nan 0.000 0.446 683 A N -1.377 121.365 122.820 -0.129 0.000 2.515 683 A HA 0.199 4.518 4.320 -0.003 0.000 0.292 683 A C 0.441 177.916 177.584 -0.182 0.000 1.065 683 A CA -0.545 51.429 52.037 -0.105 0.000 0.641 683 A CB 0.564 19.528 19.000 -0.060 0.000 1.306 683 A HN -0.063 nan 8.150 nan 0.000 0.441 684 E N -0.592 119.551 120.200 -0.095 0.000 2.153 684 E HA -0.163 4.185 4.350 -0.003 0.000 0.194 684 E C -0.264 176.312 176.600 -0.040 0.000 0.988 684 E CA 1.491 57.853 56.400 -0.063 0.000 0.811 684 E CB 0.134 29.829 29.700 -0.008 0.000 0.746 684 E HN 0.524 nan 8.360 nan 0.000 0.466 685 D N -0.337 120.042 120.400 -0.034 0.000 2.538 685 D HA 0.170 4.808 4.640 -0.003 0.000 0.231 685 D C -0.493 175.836 176.300 0.048 0.000 1.229 685 D CA 0.047 54.078 54.000 0.053 0.000 0.828 685 D CB 0.429 41.264 40.800 0.059 0.000 1.035 685 D HN -0.025 nan 8.370 nan 0.000 0.495 686 R N 0.248 120.677 120.500 -0.117 0.000 2.522 686 R HA 0.479 4.817 4.340 -0.003 0.000 0.283 686 R C -1.155 174.998 176.300 -0.244 0.000 1.074 686 R CA -0.588 55.479 56.100 -0.055 0.000 0.925 686 R CB 1.630 31.902 30.300 -0.046 0.000 1.205 686 R HN -0.163 nan 8.270 nan 0.000 0.436 687 F N 1.736 121.703 119.950 0.028 0.000 2.577 687 F HA 0.490 5.015 4.527 -0.003 0.000 0.318 687 F C -0.507 175.270 175.800 -0.039 0.000 1.065 687 F CA -1.165 56.842 58.000 0.012 0.000 0.929 687 F CB 1.879 40.896 39.000 0.029 0.000 1.237 687 F HN 0.202 nan 8.300 nan 0.000 0.468 688 L N 4.129 125.414 121.223 0.103 0.000 2.316 688 L HA 0.553 4.891 4.340 -0.003 0.000 0.280 688 L C -0.810 176.016 176.870 -0.074 0.000 1.006 688 L CA -0.540 54.266 54.840 -0.056 0.000 0.836 688 L CB 1.200 43.155 42.059 -0.173 0.000 1.221 688 L HN 0.702 nan 8.230 nan 0.000 0.418 689 M N 4.129 123.670 119.600 -0.098 0.000 2.209 689 M HA 0.435 4.914 4.480 -0.003 0.000 0.355 689 M C -1.296 174.872 176.300 -0.220 0.000 1.171 689 M CA -0.140 55.127 55.300 -0.055 0.000 1.069 689 M CB 0.697 33.296 32.600 -0.002 0.000 1.622 689 M HN 0.688 nan 8.290 nan 0.000 0.459 690 H N 1.975 121.050 119.070 0.008 0.000 2.457 690 H HA 0.535 5.090 4.556 -0.003 0.000 0.335 690 H C 0.033 175.343 175.328 -0.030 0.000 1.115 690 H CA -0.290 55.748 56.048 -0.017 0.000 1.219 690 H CB 1.539 31.282 29.762 -0.033 0.000 1.471 690 H HN 0.748 nan 8.280 nan 0.000 0.491 691 T N -1.010 113.573 114.554 0.049 0.000 2.841 691 T HA 0.414 4.762 4.350 -0.003 0.000 0.276 691 T C 0.400 175.085 174.700 -0.024 0.000 1.003 691 T CA -0.766 61.322 62.100 -0.020 0.000 0.995 691 T CB 0.901 69.734 68.868 -0.059 0.000 1.260 691 T HN 0.636 nan 8.240 nan 0.000 0.581 692 T N -1.231 113.287 114.554 -0.060 0.000 2.856 692 T HA 0.179 4.527 4.350 -0.003 0.000 0.306 692 T C 1.546 176.247 174.700 0.001 0.000 1.062 692 T CA 0.302 62.379 62.100 -0.039 0.000 1.083 692 T CB 0.392 69.237 68.868 -0.039 0.000 0.984 692 T HN 0.960 nan 8.240 nan 0.000 0.542 693 T N -0.133 114.428 114.554 0.013 0.000 2.915 693 T HA 0.059 4.407 4.350 -0.003 0.000 0.269 693 T C 2.005 176.791 174.700 0.144 0.000 1.071 693 T CA 1.297 63.426 62.100 0.049 0.000 1.132 693 T CB -1.127 67.690 68.868 -0.085 0.000 0.878 693 T HN 0.856 nan 8.240 nan 0.000 0.479 694 G N -0.594 108.266 108.800 0.099 0.000 2.956 694 G HA2 0.371 4.330 3.960 -0.003 0.000 0.207 694 G HA3 0.371 4.330 3.960 -0.003 0.000 0.207 694 G C 1.078 176.011 174.900 0.055 0.000 1.162 694 G CA 0.364 45.521 45.100 0.094 0.000 0.796 694 G HN 0.652 nan 8.290 nan 0.000 0.527 695 G N -1.105 107.711 108.800 0.027 0.000 3.581 695 G HA2 0.385 4.343 3.960 -0.003 0.000 0.248 695 G HA3 0.385 4.343 3.960 -0.003 0.000 0.248 695 G C 1.436 176.339 174.900 0.005 0.000 1.037 695 G CA 1.034 46.117 45.100 -0.028 0.000 0.902 695 G HN 0.370 nan 8.290 nan 0.000 0.512 696 A N 1.719 124.566 122.820 0.046 0.000 1.863 696 A HA 0.076 4.394 4.320 -0.003 0.000 0.218 696 A C 2.711 180.335 177.584 0.067 0.000 1.233 696 A CA 2.975 55.047 52.037 0.059 0.000 0.655 696 A CB -0.975 18.087 19.000 0.104 0.000 0.839 696 A HN 1.051 nan 8.150 nan 0.000 0.454 697 A N -1.206 121.658 122.820 0.074 0.000 2.016 697 A HA -0.042 4.276 4.320 -0.003 0.000 0.217 697 A C 1.691 179.344 177.584 0.114 0.000 1.162 697 A CA 1.638 53.722 52.037 0.077 0.000 0.662 697 A CB -0.497 18.533 19.000 0.051 0.000 0.812 697 A HN 0.504 nan 8.150 nan 0.000 0.450 698 D N -0.034 120.446 120.400 0.133 0.000 2.117 698 D HA -0.108 4.531 4.640 -0.003 0.000 0.197 698 D C 2.052 178.559 176.300 0.345 0.000 0.987 698 D CA 1.396 55.529 54.000 0.221 0.000 0.829 698 D CB -0.410 40.549 40.800 0.264 0.000 0.961 698 D HN 0.213 nan 8.370 nan 0.000 0.460 699 V N 1.083 121.148 119.914 0.252 0.000 2.295 699 V HA -0.204 3.915 4.120 -0.003 0.000 0.246 699 V C 2.451 178.731 176.094 0.309 0.000 1.049 699 V CA 1.036 63.499 62.300 0.271 0.000 1.024 699 V CB -0.446 31.389 31.823 0.021 0.000 0.648 699 V HN 0.138 nan 8.190 nan 0.000 0.447 700 L N 0.495 121.836 121.223 0.197 0.000 2.042 700 L HA -0.188 4.151 4.340 -0.003 0.000 0.210 700 L C 2.079 179.070 176.870 0.200 0.000 1.076 700 L CA 2.101 57.045 54.840 0.173 0.000 0.749 700 L CB -1.039 41.085 42.059 0.107 0.000 0.893 700 L HN 0.306 nan 8.230 nan 0.000 0.432 701 D N -1.133 119.389 120.400 0.203 0.000 2.123 701 D HA -0.281 4.357 4.640 -0.003 0.000 0.196 701 D C 1.866 178.319 176.300 0.255 0.000 0.992 701 D CA 1.509 55.616 54.000 0.178 0.000 0.833 701 D CB -0.494 40.397 40.800 0.151 0.000 0.954 701 D HN 0.616 nan 8.370 nan 0.000 0.455 702 W N 1.611 122.994 121.300 0.140 0.000 2.332 702 W HA -0.200 4.458 4.660 -0.003 0.000 0.321 702 W C 1.917 178.643 176.519 0.345 0.000 1.219 702 W CA 0.845 58.315 57.345 0.207 0.000 1.277 702 W CB -0.431 29.192 29.460 0.272 0.000 1.161 702 W HN -0.026 nan 8.180 nan 0.000 0.476 703 L N 0.554 122.014 121.223 0.396 0.000 1.990 703 L HA -0.293 4.045 4.340 -0.003 0.000 0.213 703 L C 2.513 179.542 176.870 0.265 0.000 1.072 703 L CA 2.064 57.133 54.840 0.382 0.000 0.755 703 L CB -1.286 41.016 42.059 0.406 0.000 0.889 703 L HN -0.017 nan 8.230 nan 0.000 0.432 704 E N 0.201 120.495 120.200 0.156 0.000 2.153 704 E HA -0.243 4.105 4.350 -0.003 0.000 0.194 704 E C 1.991 178.575 176.600 -0.026 0.000 0.988 704 E CA 1.235 57.663 56.400 0.046 0.000 0.811 704 E CB -0.002 29.727 29.700 0.049 0.000 0.746 704 E HN 0.447 nan 8.360 nan 0.000 0.466 705 E N -1.118 119.053 120.200 -0.049 0.000 2.047 705 E HA -0.184 4.164 4.350 -0.003 0.000 0.191 705 E C 1.717 178.085 176.600 -0.387 0.000 0.987 705 E CA 1.274 57.537 56.400 -0.229 0.000 0.799 705 E CB -0.294 29.231 29.700 -0.292 0.000 0.752 705 E HN 0.356 nan 8.360 nan 0.000 0.449 706 W N 0.936 121.988 121.300 -0.414 0.000 2.355 706 W HA -0.107 4.551 4.660 -0.003 0.000 0.309 706 W C 2.296 178.568 176.519 -0.412 0.000 1.206 706 W CA 0.750 57.750 57.345 -0.575 0.000 1.284 706 W CB -0.391 28.712 29.460 -0.596 0.000 1.145 706 W HN 0.125 nan 8.180 nan 0.000 0.502 707 L N -0.276 120.935 121.223 -0.020 0.000 2.046 707 L HA -0.253 4.085 4.340 -0.003 0.000 0.208 707 L C 2.426 179.239 176.870 -0.094 0.000 1.077 707 L CA 1.436 56.221 54.840 -0.093 0.000 0.747 707 L CB -0.914 41.014 42.059 -0.218 0.000 0.896 707 L HN 0.101 nan 8.230 nan 0.000 0.432 708 Q N -1.067 118.658 119.800 -0.124 0.000 2.212 708 Q HA -0.098 4.240 4.340 -0.003 0.000 0.199 708 Q C 2.104 178.019 176.000 -0.141 0.000 0.950 708 Q CA 1.769 57.504 55.803 -0.114 0.000 0.863 708 Q CB 0.155 28.831 28.738 -0.103 0.000 0.944 708 Q HN 0.621 nan 8.270 nan 0.000 0.465 709 T N -2.979 111.441 114.554 -0.224 0.000 2.990 709 T HA 0.143 4.491 4.350 -0.003 0.000 0.250 709 T C 1.362 175.880 174.700 -0.303 0.000 1.041 709 T CA 0.031 61.976 62.100 -0.258 0.000 1.010 709 T CB 0.435 69.114 68.868 -0.315 0.000 1.003 709 T HN -0.049 nan 8.240 nan 0.000 0.499 710 E N -0.123 119.843 120.200 -0.391 0.000 2.354 710 E HA 0.187 4.536 4.350 -0.003 0.000 0.203 710 E C -0.059 176.399 176.600 -0.237 0.000 0.841 710 E CA 0.360 56.469 56.400 -0.486 0.000 1.046 710 E CB 0.451 29.567 29.700 -0.974 0.000 1.040 710 E HN 0.570 nan 8.360 nan 0.000 0.504 711 W N 3.067 124.384 121.300 0.028 0.000 1.505 711 W HA 0.324 4.982 4.660 -0.003 0.000 0.300 711 W C -1.939 174.550 176.519 -0.049 0.000 0.826 711 W CA -2.116 55.233 57.345 0.008 0.000 2.485 711 W CB 0.327 29.812 29.460 0.042 0.000 2.163 711 W HN 0.017 nan 8.180 nan 0.000 0.518 712 P HA -0.181 nan 4.420 nan 0.000 0.230 712 P C 1.309 178.628 177.300 0.032 0.000 1.158 712 P CA 1.654 64.773 63.100 0.031 0.000 0.769 712 P CB 0.211 31.912 31.700 0.001 0.000 0.807 713 E N 0.217 120.454 120.200 0.062 0.000 2.435 713 E HA -0.025 4.324 4.350 -0.003 0.000 0.195 713 E C 0.714 177.326 176.600 0.019 0.000 1.029 713 E CA 0.024 56.445 56.400 0.036 0.000 0.865 713 E CB -0.772 28.952 29.700 0.041 0.000 0.833 713 E HN 0.300 nan 8.360 nan 0.000 0.510 714 L N 2.486 123.724 121.223 0.024 0.000 2.416 714 L HA 0.065 4.403 4.340 -0.003 0.000 0.272 714 L C 0.310 177.158 176.870 -0.038 0.000 1.161 714 L CA -0.230 54.601 54.840 -0.016 0.000 0.845 714 L CB 0.382 42.417 42.059 -0.039 0.000 1.119 714 L HN -0.059 nan 8.230 nan 0.000 0.464 715 D N 3.551 123.936 120.400 -0.024 0.000 2.483 715 D HA 0.323 4.961 4.640 -0.003 0.000 0.220 715 D C -1.015 175.270 176.300 -0.025 0.000 1.173 715 D CA -0.081 53.907 54.000 -0.019 0.000 0.964 715 D CB 0.387 41.188 40.800 0.002 0.000 1.046 715 D HN 0.067 nan 8.370 nan 0.000 0.517 716 V N 3.028 122.898 119.914 -0.073 0.000 2.623 716 V HA 0.461 4.579 4.120 -0.003 0.000 0.304 716 V C 0.037 176.086 176.094 -0.074 0.000 1.054 716 V CA -0.818 61.433 62.300 -0.082 0.000 0.882 716 V CB 2.125 33.798 31.823 -0.249 0.000 1.002 716 V HN 0.420 nan 8.190 nan 0.000 0.424 717 T N 3.312 117.857 114.554 -0.015 0.000 2.824 717 T HA 0.540 4.888 4.350 -0.003 0.000 0.282 717 T C -0.515 174.197 174.700 0.021 0.000 0.993 717 T CA -0.334 61.762 62.100 -0.006 0.000 0.967 717 T CB 1.292 70.162 68.868 0.002 0.000 0.960 717 T HN 0.719 nan 8.240 nan 0.000 0.441 718 C N 2.480 121.792 119.300 0.019 0.000 2.493 718 C HA 0.895 5.353 4.460 -0.003 0.000 0.326 718 C C 0.277 175.284 174.990 0.028 0.000 1.200 718 C CA -0.598 58.444 59.018 0.041 0.000 1.739 718 C CB 1.431 29.209 27.740 0.063 0.000 2.300 718 C HN 0.925 nan 8.230 nan 0.000 0.500 719 T N 1.109 115.679 114.554 0.027 0.000 2.971 719 T HA 0.281 4.629 4.350 -0.003 0.000 0.304 719 T C -0.493 174.213 174.700 0.010 0.000 1.038 719 T CA -0.239 61.870 62.100 0.014 0.000 1.007 719 T CB 1.643 70.514 68.868 0.005 0.000 1.055 719 T HN 0.698 nan 8.240 nan 0.000 0.451 720 S N 1.704 117.410 115.700 0.010 0.000 2.516 720 S HA 0.248 4.716 4.470 -0.003 0.000 0.282 720 S C 1.075 175.672 174.600 -0.006 0.000 1.286 720 S CA -0.446 57.759 58.200 0.007 0.000 1.066 720 S CB -0.094 63.115 63.200 0.015 0.000 0.884 720 S HN 0.702 nan 8.310 nan 0.000 0.491 721 V N 2.864 122.769 119.914 -0.015 0.000 3.253 721 V HA 0.227 4.346 4.120 -0.003 0.000 0.320 721 V C 1.565 177.652 176.094 -0.012 0.000 1.442 721 V CA 0.203 62.487 62.300 -0.026 0.000 1.097 721 V CB -0.796 31.001 31.823 -0.042 0.000 1.008 721 V HN 0.750 nan 8.190 nan 0.000 0.463 722 T N 1.475 116.038 114.554 0.014 0.000 2.624 722 T HA -0.254 4.094 4.350 -0.003 0.000 0.266 722 T C 1.603 176.352 174.700 0.082 0.000 1.050 722 T CA 2.708 64.844 62.100 0.060 0.000 1.163 722 T CB -0.226 68.707 68.868 0.109 0.000 0.861 722 T HN 0.664 nan 8.240 nan 0.000 0.443 723 E N 0.089 120.330 120.200 0.068 0.000 2.474 723 E HA 0.013 4.362 4.350 -0.003 0.000 0.194 723 E C 2.204 178.799 176.600 -0.008 0.000 1.041 723 E CA 0.151 56.596 56.400 0.074 0.000 0.874 723 E CB 0.015 29.747 29.700 0.053 0.000 0.914 723 E HN 0.390 nan 8.360 nan 0.000 0.498 724 Q N 0.656 120.430 119.800 -0.043 0.000 2.172 724 Q HA 0.006 4.344 4.340 -0.003 0.000 0.200 724 Q C 0.409 176.347 176.000 -0.104 0.000 0.964 724 Q CA 0.830 56.565 55.803 -0.113 0.000 0.855 724 Q CB 0.220 28.897 28.738 -0.101 0.000 0.918 724 Q HN 0.134 nan 8.270 nan 0.000 0.444 725 L N 1.116 122.317 121.223 -0.037 0.000 2.296 725 L HA 0.697 5.036 4.340 -0.003 0.000 0.286 725 L C -0.296 176.590 176.870 0.026 0.000 1.023 725 L CA -0.930 53.908 54.840 -0.002 0.000 0.812 725 L CB 1.604 43.673 42.059 0.017 0.000 1.223 725 L HN 0.074 nan 8.230 nan 0.000 0.421 726 A N 2.390 125.237 122.820 0.046 0.000 2.252 726 A HA 0.887 5.205 4.320 -0.003 0.000 0.305 726 A C -0.249 177.379 177.584 0.074 0.000 1.097 726 A CA -0.302 51.771 52.037 0.060 0.000 0.849 726 A CB 1.076 20.128 19.000 0.087 0.000 1.142 726 A HN 0.643 nan 8.150 nan 0.000 0.499 727 T N 0.188 114.786 114.554 0.074 0.000 3.172 727 T HA 0.454 4.802 4.350 -0.003 0.000 0.320 727 T C -1.287 173.490 174.700 0.129 0.000 1.085 727 T CA -0.357 61.797 62.100 0.091 0.000 1.052 727 T CB 1.272 70.178 68.868 0.064 0.000 1.107 727 T HN 0.572 nan 8.240 nan 0.000 0.458 728 V N 2.503 122.513 119.914 0.159 0.000 2.334 728 V HA 0.711 4.829 4.120 -0.003 0.000 0.281 728 V C 0.481 176.653 176.094 0.131 0.000 1.016 728 V CA -0.972 61.450 62.300 0.203 0.000 0.832 728 V CB 1.083 33.019 31.823 0.187 0.000 0.999 728 V HN 1.103 nan 8.190 nan 0.000 0.439 729 A N 5.270 128.165 122.820 0.125 0.000 2.354 729 A HA 0.631 4.950 4.320 -0.003 0.000 0.281 729 A C -0.205 177.452 177.584 0.121 0.000 1.174 729 A CA -0.229 51.880 52.037 0.119 0.000 0.828 729 A CB 0.353 19.427 19.000 0.123 0.000 1.099 729 A HN 0.719 nan 8.150 nan 0.000 0.516 730 V N 4.354 124.345 119.914 0.130 0.000 2.328 730 V HA 0.454 4.572 4.120 -0.003 0.000 0.278 730 V C -0.268 175.924 176.094 0.164 0.000 1.021 730 V CA -0.356 62.009 62.300 0.109 0.000 0.838 730 V CB 0.966 32.817 31.823 0.047 0.000 0.999 730 V HN 0.611 nan 8.190 nan 0.000 0.447 731 V N 3.552 123.563 119.914 0.161 0.000 2.709 731 V HA 1.030 5.148 4.120 -0.003 0.000 0.308 731 V C 0.358 176.494 176.094 0.069 0.000 1.062 731 V CA 0.185 62.574 62.300 0.149 0.000 0.901 731 V CB 1.408 33.366 31.823 0.225 0.000 1.003 731 V HN 1.282 nan 8.190 nan 0.000 0.425 732 G N 5.494 114.318 108.800 0.040 0.000 2.392 732 G HA2 0.060 4.019 3.960 -0.003 0.000 0.677 732 G HA3 0.060 4.019 3.960 -0.003 0.000 0.677 732 G C -2.502 172.385 174.900 -0.021 0.000 1.334 732 G CA -0.141 44.954 45.100 -0.008 0.000 0.961 732 G HN 0.477 nan 8.290 nan 0.000 0.616 733 P HA -0.096 nan 4.420 nan 0.000 0.218 733 P C 1.324 178.548 177.300 -0.126 0.000 1.148 733 P CA 0.989 64.049 63.100 -0.066 0.000 0.822 733 P CB 0.117 31.778 31.700 -0.066 0.000 0.784 734 R N 0.133 120.514 120.500 -0.199 0.000 2.335 734 R HA 0.123 4.462 4.340 -0.003 0.000 0.223 734 R C 1.970 178.057 176.300 -0.355 0.000 0.940 734 R CA 0.359 56.210 56.100 -0.416 0.000 1.086 734 R CB -1.114 28.794 30.300 -0.652 0.000 1.073 734 R HN 0.342 nan 8.270 nan 0.000 0.504 735 S N -0.439 115.174 115.700 -0.145 0.000 2.406 735 S HA -0.083 4.385 4.470 -0.003 0.000 0.228 735 S C 2.009 176.475 174.600 -0.223 0.000 1.020 735 S CA 0.265 58.422 58.200 -0.072 0.000 0.965 735 S CB -0.051 63.239 63.200 0.150 0.000 0.798 735 S HN 0.230 nan 8.310 nan 0.000 0.488 736 R N 1.579 121.975 120.500 -0.173 0.000 2.096 736 R HA -0.178 4.160 4.340 -0.003 0.000 0.240 736 R C 1.560 177.661 176.300 -0.332 0.000 1.139 736 R CA 2.283 58.192 56.100 -0.318 0.000 0.952 736 R CB -0.601 29.645 30.300 -0.090 0.000 0.854 736 R HN 0.492 nan 8.270 nan 0.000 0.436 737 D N -0.646 119.574 120.400 -0.300 0.000 2.144 737 D HA -0.134 4.504 4.640 -0.003 0.000 0.199 737 D C 1.875 178.104 176.300 -0.118 0.000 0.984 737 D CA 1.260 55.120 54.000 -0.234 0.000 0.834 737 D CB 0.045 40.581 40.800 -0.440 0.000 0.955 737 D HN 0.059 nan 8.370 nan 0.000 0.465 738 V N 1.173 120.992 119.914 -0.157 0.000 2.261 738 V HA -0.219 3.899 4.120 -0.003 0.000 0.246 738 V C 2.321 178.333 176.094 -0.136 0.000 1.047 738 V CA 1.061 63.324 62.300 -0.061 0.000 1.015 738 V CB -0.424 31.360 31.823 -0.064 0.000 0.642 738 V HN 0.229 nan 8.190 nan 0.000 0.446 739 I N 0.930 121.333 120.570 -0.279 0.000 2.208 739 I HA -0.257 3.911 4.170 -0.003 0.000 0.245 739 I C 2.792 178.783 176.117 -0.209 0.000 1.097 739 I CA 1.999 63.102 61.300 -0.328 0.000 1.363 739 I CB -1.743 35.819 38.000 -0.729 0.000 1.051 739 I HN 0.329 nan 8.210 nan 0.000 0.413 740 A N 1.035 123.737 122.820 -0.196 0.000 1.917 740 A HA -0.244 4.074 4.320 -0.003 0.000 0.219 740 A C 2.298 179.850 177.584 -0.053 0.000 1.182 740 A CA 1.824 53.800 52.037 -0.100 0.000 0.633 740 A CB -0.576 18.378 19.000 -0.075 0.000 0.819 740 A HN 0.438 nan 8.150 nan 0.000 0.448 741 K N -1.205 119.170 120.400 -0.042 0.000 2.366 741 K HA 0.049 4.367 4.320 -0.003 0.000 0.198 741 K C 1.224 177.810 176.600 -0.024 0.000 1.044 741 K CA 0.652 56.929 56.287 -0.018 0.000 0.973 741 K CB -0.117 32.384 32.500 0.002 0.000 0.767 741 K HN 0.323 nan 8.250 nan 0.000 0.475 742 L N -0.076 121.124 121.223 -0.038 0.000 2.307 742 L HA 0.115 4.453 4.340 -0.003 0.000 0.211 742 L C 0.563 177.424 176.870 -0.014 0.000 1.099 742 L CA 0.610 55.434 54.840 -0.027 0.000 0.816 742 L CB 0.207 42.244 42.059 -0.036 0.000 0.952 742 L HN -0.061 nan 8.230 nan 0.000 0.455 743 A N -1.568 121.243 122.820 -0.016 0.000 2.605 743 A HA 0.478 4.796 4.320 -0.003 0.000 0.293 743 A C 1.083 178.668 177.584 0.002 0.000 1.216 743 A CA 0.193 52.232 52.037 0.003 0.000 0.742 743 A CB 0.576 19.589 19.000 0.021 0.000 1.170 743 A HN 0.175 nan 8.150 nan 0.000 0.443 744 S N 1.534 117.236 115.700 0.003 0.000 2.359 744 S HA -0.176 4.292 4.470 -0.003 0.000 0.224 744 S C 1.657 176.262 174.600 0.007 0.000 1.035 744 S CA 2.019 60.220 58.200 0.002 0.000 1.018 744 S CB -0.562 62.640 63.200 0.003 0.000 0.876 744 S HN 1.602 nan 8.310 nan 0.000 0.448 745 S N 1.031 116.739 115.700 0.012 0.000 2.660 745 S HA 0.356 4.825 4.470 -0.003 0.000 0.227 745 S C 0.386 175.001 174.600 0.025 0.000 0.948 745 S CA -0.669 57.540 58.200 0.015 0.000 0.948 745 S CB -0.468 62.739 63.200 0.013 0.000 0.779 745 S HN 0.498 nan 8.310 nan 0.000 0.487 746 L N 2.932 124.174 121.223 0.033 0.000 2.281 746 L HA 0.430 4.768 4.340 -0.003 0.000 0.285 746 L C -0.618 176.295 176.870 0.072 0.000 1.074 746 L CA 0.089 54.966 54.840 0.061 0.000 0.817 746 L CB 0.990 43.101 42.059 0.086 0.000 1.168 746 L HN 0.186 nan 8.230 nan 0.000 0.434 747 D N 4.107 124.560 120.400 0.087 0.000 2.336 747 D HA 0.100 4.738 4.640 -0.003 0.000 0.249 747 D C 0.816 177.230 176.300 0.189 0.000 1.213 747 D CA -0.214 53.844 54.000 0.097 0.000 0.870 747 D CB 1.156 41.998 40.800 0.069 0.000 1.076 747 D HN 0.419 nan 8.370 nan 0.000 0.483 748 V N 1.680 121.678 119.914 0.141 0.000 3.542 748 V HA 0.186 4.305 4.120 -0.003 0.000 0.296 748 V C 0.780 176.968 176.094 0.157 0.000 1.364 748 V CA 0.015 62.408 62.300 0.155 0.000 1.118 748 V CB -0.951 30.822 31.823 -0.082 0.000 0.972 748 V HN 0.474 nan 8.190 nan 0.000 0.430 749 S N 0.524 116.304 115.700 0.133 0.000 2.566 749 S HA -0.003 4.465 4.470 -0.003 0.000 0.280 749 S C 1.210 175.899 174.600 0.148 0.000 1.343 749 S CA 0.623 58.886 58.200 0.106 0.000 1.036 749 S CB 0.300 63.544 63.200 0.073 0.000 0.866 749 S HN 0.605 nan 8.310 nan 0.000 0.526 750 N N 1.867 120.631 118.700 0.106 0.000 2.069 750 N HA -0.259 4.479 4.740 -0.003 0.000 0.191 750 N C 1.363 176.938 175.510 0.108 0.000 1.031 750 N CA 2.168 55.281 53.050 0.106 0.000 0.852 750 N CB -0.541 37.980 38.487 0.056 0.000 1.018 750 N HN 0.946 nan 8.380 nan 0.000 0.423 751 D N -0.104 120.342 120.400 0.076 0.000 2.178 751 D HA -0.081 4.558 4.640 -0.003 0.000 0.201 751 D C 1.705 178.046 176.300 0.068 0.000 0.980 751 D CA 1.444 55.479 54.000 0.059 0.000 0.842 751 D CB -0.262 40.557 40.800 0.032 0.000 0.948 751 D HN 0.288 nan 8.370 nan 0.000 0.472 752 A N -1.090 121.787 122.820 0.095 0.000 2.072 752 A HA 0.193 4.511 4.320 -0.003 0.000 0.216 752 A C 0.673 178.332 177.584 0.125 0.000 1.156 752 A CA 0.048 52.136 52.037 0.085 0.000 0.701 752 A CB -0.330 18.721 19.000 0.084 0.000 0.816 752 A HN 0.375 nan 8.150 nan 0.000 0.458 753 F N 1.081 121.062 119.950 0.051 0.000 2.824 753 F HA 0.321 4.846 4.527 -0.003 0.000 0.375 753 F C -0.141 175.694 175.800 0.058 0.000 1.190 753 F CA -0.949 57.095 58.000 0.073 0.000 1.180 753 F CB 0.754 39.853 39.000 0.166 0.000 1.477 753 F HN -0.094 nan 8.300 nan 0.000 0.542 754 K N 2.956 123.558 120.400 0.337 0.000 2.098 754 K HA 0.196 4.514 4.320 -0.003 0.000 0.244 754 K C -0.398 176.341 176.600 0.232 0.000 1.014 754 K CA -0.803 55.616 56.287 0.219 0.000 0.917 754 K CB 1.165 33.737 32.500 0.121 0.000 1.072 754 K HN 0.408 nan 8.250 nan 0.000 0.477 755 F N 2.509 122.471 119.950 0.020 0.000 2.623 755 F HA -0.147 4.379 4.527 -0.003 0.000 0.383 755 F C 0.904 176.714 175.800 0.017 0.000 1.077 755 F CA 0.833 58.822 58.000 -0.019 0.000 1.268 755 F CB -0.033 38.943 39.000 -0.040 0.000 1.053 755 F HN 0.544 nan 8.300 nan 0.000 0.571 756 M N 2.760 121.990 119.600 -0.617 0.000 2.908 756 M HA -0.245 4.233 4.480 -0.003 0.000 0.191 756 M C 0.029 176.265 176.300 -0.106 0.000 0.619 756 M CA 1.115 56.127 55.300 -0.480 0.000 0.709 756 M CB -2.617 29.591 32.600 -0.653 0.000 2.554 756 M HN 0.701 nan 8.290 nan 0.000 0.356 757 A N 0.590 123.419 122.820 0.015 0.000 2.264 757 A HA 0.841 5.159 4.320 -0.003 0.000 0.304 757 A C -0.190 177.520 177.584 0.210 0.000 1.100 757 A CA -0.363 51.687 52.037 0.022 0.000 0.839 757 A CB 0.623 19.574 19.000 -0.083 0.000 1.121 757 A HN 0.550 nan 8.150 nan 0.000 0.496 758 F N -1.501 118.457 119.950 0.013 0.000 2.603 758 F HA 0.767 5.293 4.527 -0.003 0.000 0.317 758 F C -0.546 175.180 175.800 -0.123 0.000 1.066 758 F CA -0.874 57.166 58.000 0.067 0.000 0.941 758 F CB 1.545 40.593 39.000 0.081 0.000 1.291 758 F HN 0.559 nan 8.300 nan 0.000 0.472 759 Q N 1.161 121.013 119.800 0.086 0.000 2.359 759 Q HA 0.300 4.638 4.340 -0.003 0.000 0.274 759 Q C -1.882 174.232 176.000 0.191 0.000 1.074 759 Q CA -1.097 54.680 55.803 -0.043 0.000 0.810 759 Q CB 2.942 31.509 28.738 -0.285 0.000 1.342 759 Q HN 0.566 nan 8.270 nan 0.000 0.427 760 D N 2.448 122.944 120.400 0.161 0.000 2.339 760 D HA 0.214 4.852 4.640 -0.003 0.000 0.256 760 D C -0.423 175.933 176.300 0.093 0.000 1.214 760 D CA 0.130 54.219 54.000 0.148 0.000 0.877 760 D CB 1.377 42.255 40.800 0.130 0.000 1.111 760 D HN 0.314 nan 8.370 nan 0.000 0.478 761 V N 0.537 120.515 119.914 0.106 0.000 2.735 761 V HA 0.554 4.672 4.120 -0.003 0.000 0.310 761 V C -0.144 175.990 176.094 0.067 0.000 1.061 761 V CA -0.632 61.717 62.300 0.083 0.000 0.913 761 V CB 2.138 34.025 31.823 0.107 0.000 1.005 761 V HN 0.358 nan 8.190 nan 0.000 0.428 762 T N 7.003 121.585 114.554 0.047 0.000 2.780 762 T HA 0.538 4.886 4.350 -0.003 0.000 0.294 762 T C 0.116 174.831 174.700 0.025 0.000 0.949 762 T CA -0.130 61.990 62.100 0.032 0.000 1.074 762 T CB 0.574 69.457 68.868 0.025 0.000 0.910 762 T HN 0.659 nan 8.240 nan 0.000 0.501 763 L N 2.682 123.914 121.223 0.015 0.000 2.436 763 L HA 0.207 4.545 4.340 -0.003 0.000 0.265 763 L C 1.453 178.323 176.870 -0.001 0.000 1.168 763 L CA -0.776 54.069 54.840 0.008 0.000 0.815 763 L CB 0.416 42.475 42.059 -0.000 0.000 1.109 763 L HN 0.567 nan 8.230 nan 0.000 0.462 764 D N 0.070 120.470 120.400 0.000 0.000 2.158 764 D HA -0.183 4.455 4.640 -0.003 0.000 0.197 764 D C 2.163 178.462 176.300 -0.003 0.000 0.995 764 D CA 1.789 55.789 54.000 0.000 0.000 0.846 764 D CB -0.049 40.751 40.800 -0.000 0.000 0.941 764 D HN 0.700 nan 8.370 nan 0.000 0.456 765 S N -0.944 114.752 115.700 -0.008 0.000 2.419 765 S HA -0.060 4.409 4.470 -0.003 0.000 0.235 765 S C 1.901 176.488 174.600 -0.022 0.000 1.019 765 S CA 1.539 59.731 58.200 -0.012 0.000 0.982 765 S CB -0.228 62.962 63.200 -0.018 0.000 0.789 765 S HN 0.421 nan 8.310 nan 0.000 0.490 766 G N 0.447 109.230 108.800 -0.028 0.000 2.184 766 G HA2 -0.166 3.792 3.960 -0.003 0.000 0.206 766 G HA3 -0.166 3.792 3.960 -0.003 0.000 0.206 766 G C -0.021 174.841 174.900 -0.063 0.000 0.995 766 G CA -0.137 44.947 45.100 -0.027 0.000 0.651 766 G HN 0.555 nan 8.290 nan 0.000 0.511 767 I N 1.686 122.184 120.570 -0.120 0.000 2.471 767 I HA 0.312 4.480 4.170 -0.003 0.000 0.286 767 I C 0.723 176.798 176.117 -0.070 0.000 1.079 767 I CA -0.454 60.714 61.300 -0.220 0.000 1.398 767 I CB 1.133 38.930 38.000 -0.338 0.000 1.403 767 I HN 0.172 nan 8.210 nan 0.000 0.530 768 E N 6.309 126.497 120.200 -0.019 0.000 2.290 768 E HA 0.487 4.835 4.350 -0.003 0.000 0.277 768 E C -0.856 175.781 176.600 0.061 0.000 1.035 768 E CA -0.175 56.248 56.400 0.039 0.000 0.873 768 E CB 0.881 30.619 29.700 0.064 0.000 1.029 768 E HN 0.619 nan 8.360 nan 0.000 0.419 769 A N 4.719 127.581 122.820 0.071 0.000 2.430 769 A HA 0.786 5.104 4.320 -0.003 0.000 0.300 769 A C -0.920 176.734 177.584 0.115 0.000 1.124 769 A CA -0.870 51.223 52.037 0.093 0.000 0.766 769 A CB 1.318 20.374 19.000 0.093 0.000 1.328 769 A HN 0.649 nan 8.150 nan 0.000 0.424 770 R N 0.934 121.512 120.500 0.130 0.000 2.439 770 R HA 0.673 5.011 4.340 -0.003 0.000 0.310 770 R C -1.805 174.625 176.300 0.217 0.000 0.955 770 R CA -0.355 55.848 56.100 0.172 0.000 0.853 770 R CB 0.833 31.198 30.300 0.108 0.000 1.171 770 R HN 0.641 nan 8.270 nan 0.000 0.449 771 I N 3.272 124.033 120.570 0.319 0.000 2.339 771 I HA 0.324 4.492 4.170 -0.003 0.000 0.290 771 I C -0.461 175.971 176.117 0.524 0.000 0.994 771 I CA -0.629 60.907 61.300 0.394 0.000 1.191 771 I CB 2.115 40.389 38.000 0.456 0.000 1.343 771 I HN 0.586 nan 8.210 nan 0.000 0.458 772 S N 5.393 121.309 115.700 0.359 0.000 2.513 772 S HA 0.467 4.935 4.470 -0.003 0.000 0.299 772 S C -0.033 174.635 174.600 0.112 0.000 1.087 772 S CA -0.864 57.527 58.200 0.317 0.000 1.012 772 S CB 1.893 65.198 63.200 0.175 0.000 1.044 772 S HN 0.500 nan 8.310 nan 0.000 0.485 773 R N 2.187 122.720 120.500 0.055 0.000 3.701 773 R HA 0.334 4.672 4.340 -0.003 0.000 0.210 773 R C -0.803 175.393 176.300 -0.173 0.000 1.598 773 R CA 0.103 56.059 56.100 -0.240 0.000 1.427 773 R CB -0.477 29.645 30.300 -0.298 0.000 1.339 773 R HN 0.516 nan 8.270 nan 0.000 0.720 774 I N 0.161 120.664 120.570 -0.111 0.000 2.441 774 I HA 0.223 4.391 4.170 -0.003 0.000 0.295 774 I C 0.109 176.236 176.117 0.017 0.000 0.994 774 I CA -0.456 60.794 61.300 -0.084 0.000 1.144 774 I CB 2.061 39.996 38.000 -0.107 0.000 1.314 774 I HN 0.194 nan 8.210 nan 0.000 0.445 775 S N 4.892 120.662 115.700 0.117 0.000 2.547 775 S HA 0.482 4.950 4.470 -0.003 0.000 0.281 775 S C -0.614 174.145 174.600 0.264 0.000 1.118 775 S CA -0.355 57.966 58.200 0.200 0.000 0.947 775 S CB 1.071 64.409 63.200 0.229 0.000 1.053 775 S HN 0.476 nan 8.310 nan 0.000 0.482 776 F N 4.177 124.191 119.950 0.106 0.000 2.772 776 F HA 0.374 4.900 4.527 -0.003 0.000 0.302 776 F C 1.317 177.380 175.800 0.439 0.000 1.136 776 F CA -0.072 58.011 58.000 0.139 0.000 1.322 776 F CB 0.205 39.261 39.000 0.093 0.000 0.967 776 F HN 0.642 nan 8.300 nan 0.000 0.513 777 S N -2.666 113.278 115.700 0.405 0.000 2.653 777 S HA 0.407 4.875 4.470 -0.003 0.000 0.259 777 S C 1.575 176.237 174.600 0.103 0.000 1.076 777 S CA 0.378 58.678 58.200 0.167 0.000 1.051 777 S CB 0.500 63.765 63.200 0.109 0.000 0.994 777 S HN 0.572 nan 8.310 nan 0.000 0.552 778 G N 1.255 110.168 108.800 0.189 0.000 2.195 778 G HA2 -0.189 3.770 3.960 -0.003 0.000 0.246 778 G HA3 -0.189 3.770 3.960 -0.003 0.000 0.246 778 G C -0.161 174.757 174.900 0.029 0.000 0.984 778 G CA 0.238 45.384 45.100 0.077 0.000 0.633 778 G HN 0.508 nan 8.290 nan 0.000 0.525 779 E N -0.090 120.140 120.200 0.050 0.000 2.280 779 E HA 0.528 4.876 4.350 -0.003 0.000 0.264 779 E C 0.604 177.207 176.600 0.005 0.000 1.064 779 E CA -1.078 55.333 56.400 0.018 0.000 0.900 779 E CB 1.319 31.030 29.700 0.017 0.000 1.123 779 E HN 0.331 nan 8.360 nan 0.000 0.418 780 L N 1.359 122.570 121.223 -0.020 0.000 2.593 780 L HA 0.170 4.509 4.340 -0.003 0.000 0.287 780 L C -0.541 176.329 176.870 -0.000 0.000 1.243 780 L CA 0.657 55.478 54.840 -0.032 0.000 0.890 780 L CB -0.252 41.806 42.059 -0.001 0.000 1.134 780 L HN 0.564 nan 8.230 nan 0.000 0.502 781 A N 4.676 127.436 122.820 -0.101 0.000 2.589 781 A HA 0.728 5.046 4.320 -0.003 0.000 0.296 781 A C -1.571 175.833 177.584 -0.300 0.000 1.062 781 A CA -0.531 51.489 52.037 -0.029 0.000 0.686 781 A CB 0.701 19.736 19.000 0.060 0.000 1.282 781 A HN 0.513 nan 8.150 nan 0.000 0.404 782 F N 0.714 120.644 119.950 -0.034 0.000 2.529 782 F HA 0.481 5.007 4.527 -0.003 0.000 0.320 782 F C 0.347 176.146 175.800 -0.002 0.000 1.118 782 F CA -0.217 57.746 58.000 -0.061 0.000 0.915 782 F CB 2.444 41.362 39.000 -0.136 0.000 1.161 782 F HN 0.578 nan 8.300 nan 0.000 0.445 783 E N 4.144 124.434 120.200 0.149 0.000 2.156 783 E HA 0.493 4.841 4.350 -0.003 0.000 0.279 783 E C -0.886 175.803 176.600 0.148 0.000 0.965 783 E CA -0.512 55.958 56.400 0.118 0.000 0.789 783 E CB 2.127 31.852 29.700 0.041 0.000 1.098 783 E HN 0.461 nan 8.360 nan 0.000 0.397 784 I N 2.458 123.108 120.570 0.133 0.000 2.330 784 I HA 0.391 4.559 4.170 -0.003 0.000 0.289 784 I C -0.295 175.894 176.117 0.119 0.000 1.001 784 I CA -0.607 60.772 61.300 0.130 0.000 1.193 784 I CB 1.443 39.505 38.000 0.104 0.000 1.345 784 I HN 0.450 nan 8.210 nan 0.000 0.461 785 A N 8.837 131.729 122.820 0.119 0.000 2.304 785 A HA 0.839 5.157 4.320 -0.003 0.000 0.314 785 A C -0.492 177.155 177.584 0.104 0.000 1.187 785 A CA -0.477 51.624 52.037 0.107 0.000 0.810 785 A CB 0.902 19.966 19.000 0.106 0.000 1.183 785 A HN 0.659 nan 8.150 nan 0.000 0.487 786 I N -0.345 120.292 120.570 0.111 0.000 3.042 786 I HA 0.691 4.860 4.170 -0.003 0.000 0.310 786 I C -3.165 173.025 176.117 0.121 0.000 1.117 786 I CA -3.045 58.336 61.300 0.135 0.000 1.003 786 I CB 1.300 39.407 38.000 0.178 0.000 1.228 786 I HN 0.178 nan 8.210 nan 0.000 0.443 787 P HA 0.072 nan 4.420 nan 0.000 0.264 787 P C 0.651 177.932 177.300 -0.032 0.000 1.183 787 P CA 0.464 63.545 63.100 -0.031 0.000 0.763 787 P CB 0.669 32.347 31.700 -0.037 0.000 0.807 788 A N 4.624 127.361 122.820 -0.138 0.000 1.948 788 A HA -0.180 4.138 4.320 -0.003 0.000 0.220 788 A C 1.399 179.040 177.584 0.096 0.000 1.177 788 A CA 1.689 53.718 52.037 -0.014 0.000 0.636 788 A CB -1.524 17.463 19.000 -0.022 0.000 0.815 788 A HN 0.791 nan 8.150 nan 0.000 0.449 789 W N -1.089 120.184 121.300 -0.044 0.000 2.961 789 W HA 0.091 4.749 4.660 -0.003 0.000 0.240 789 W C 0.774 177.198 176.519 -0.159 0.000 1.305 789 W CA 0.380 57.664 57.345 -0.102 0.000 1.465 789 W CB -1.303 28.072 29.460 -0.141 0.000 1.135 789 W HN 0.448 nan 8.180 nan 0.000 0.688 790 H N -0.047 119.308 119.070 0.474 0.000 2.551 790 H HA 0.275 4.829 4.556 -0.003 0.000 0.271 790 H C 2.095 177.538 175.328 0.192 0.000 0.984 790 H CA 0.601 56.821 56.048 0.287 0.000 1.164 790 H CB -0.315 29.603 29.762 0.260 0.000 1.437 790 H HN 0.352 nan 8.280 nan 0.000 0.550 791 G N 1.184 110.139 108.800 0.258 0.000 2.446 791 G HA2 -0.210 3.748 3.960 -0.003 0.000 0.217 791 G HA3 -0.210 3.748 3.960 -0.003 0.000 0.217 791 G C 1.746 176.746 174.900 0.167 0.000 1.168 791 G CA 0.170 45.382 45.100 0.186 0.000 0.771 791 G HN 0.313 nan 8.290 nan 0.000 0.551 792 L N -0.155 121.153 121.223 0.142 0.000 2.005 792 L HA -0.110 4.228 4.340 -0.003 0.000 0.207 792 L C 3.019 179.991 176.870 0.170 0.000 1.072 792 L CA 2.160 57.075 54.840 0.126 0.000 0.744 792 L CB -0.423 41.709 42.059 0.123 0.000 0.895 792 L HN 0.328 nan 8.230 nan 0.000 0.433 793 Q N -0.219 119.686 119.800 0.176 0.000 2.062 793 Q HA -0.230 4.109 4.340 -0.003 0.000 0.209 793 Q C 1.877 177.957 176.000 0.133 0.000 0.996 793 Q CA 2.756 58.655 55.803 0.160 0.000 0.859 793 Q CB -0.579 28.269 28.738 0.183 0.000 0.920 793 Q HN 0.395 nan 8.270 nan 0.000 0.415 794 V N -0.160 119.845 119.914 0.152 0.000 2.453 794 V HA -0.177 3.941 4.120 -0.003 0.000 0.247 794 V C 1.922 178.068 176.094 0.086 0.000 1.048 794 V CA 1.619 63.985 62.300 0.110 0.000 1.049 794 V CB -0.857 31.044 31.823 0.130 0.000 0.672 794 V HN 0.603 nan 8.190 nan 0.000 0.457 795 W N 1.463 122.703 121.300 -0.100 0.000 2.335 795 W HA -0.183 4.476 4.660 -0.003 0.000 0.311 795 W C 2.189 178.525 176.519 -0.305 0.000 1.213 795 W CA 2.124 59.319 57.345 -0.250 0.000 1.274 795 W CB -0.083 29.152 29.460 -0.375 0.000 1.148 795 W HN 0.377 nan 8.180 nan 0.000 0.498 796 E N 0.066 120.237 120.200 -0.048 0.000 2.072 796 E HA -0.218 4.130 4.350 -0.003 0.000 0.191 796 E C 1.659 178.268 176.600 0.014 0.000 0.985 796 E CA 1.544 57.937 56.400 -0.011 0.000 0.801 796 E CB -0.330 29.463 29.700 0.155 0.000 0.750 796 E HN 0.154 nan 8.360 nan 0.000 0.452 797 D N 0.506 120.910 120.400 0.007 0.000 2.097 797 D HA -0.133 4.506 4.640 -0.003 0.000 0.195 797 D C 2.120 178.383 176.300 -0.061 0.000 0.989 797 D CA 0.843 54.839 54.000 -0.007 0.000 0.827 797 D CB -0.310 40.492 40.800 0.004 0.000 0.966 797 D HN 0.018 nan 8.370 nan 0.000 0.456 798 V N 0.665 120.503 119.914 -0.127 0.000 2.392 798 V HA -0.270 3.849 4.120 -0.003 0.000 0.249 798 V C 2.198 178.174 176.094 -0.196 0.000 1.059 798 V CA 1.340 63.530 62.300 -0.184 0.000 1.051 798 V CB -0.627 31.026 31.823 -0.284 0.000 0.658 798 V HN 0.165 nan 8.190 nan 0.000 0.455 799 Y N 1.310 121.354 120.300 -0.427 0.000 2.163 799 Y HA -0.151 4.397 4.550 -0.003 0.000 0.288 799 Y C 2.412 178.229 175.900 -0.139 0.000 1.136 799 Y CA 1.260 59.147 58.100 -0.356 0.000 1.147 799 Y CB -0.788 37.439 38.460 -0.388 0.000 0.987 799 Y HN 0.141 nan 8.280 nan 0.000 0.509 800 A N 0.680 123.467 122.820 -0.055 0.000 1.859 800 A HA -0.224 4.095 4.320 -0.003 0.000 0.217 800 A C 2.454 179.961 177.584 -0.128 0.000 1.198 800 A CA 2.556 54.538 52.037 -0.092 0.000 0.629 800 A CB -1.666 17.332 19.000 -0.002 0.000 0.830 800 A HN 0.610 nan 8.150 nan 0.000 0.446 801 A N -1.128 121.640 122.820 -0.086 0.000 2.024 801 A HA 0.138 4.457 4.320 -0.003 0.000 0.220 801 A C 2.139 179.702 177.584 -0.035 0.000 1.164 801 A CA 1.858 53.861 52.037 -0.057 0.000 0.643 801 A CB -0.955 18.026 19.000 -0.031 0.000 0.806 801 A HN 0.889 nan 8.150 nan 0.000 0.451 802 G N -1.903 106.855 108.800 -0.070 0.000 3.088 802 G HA2 0.116 4.075 3.960 -0.003 0.000 0.217 802 G HA3 0.116 4.075 3.960 -0.003 0.000 0.217 802 G C 1.222 176.047 174.900 -0.125 0.000 1.159 802 G CA 0.220 45.330 45.100 0.016 0.000 0.760 802 G HN 0.379 nan 8.290 nan 0.000 0.550 803 Q N 1.378 121.021 119.800 -0.262 0.000 2.133 803 Q HA -0.206 4.132 4.340 -0.003 0.000 0.208 803 Q C 2.272 178.108 176.000 -0.273 0.000 0.991 803 Q CA 1.822 57.449 55.803 -0.295 0.000 0.867 803 Q CB -0.410 28.155 28.738 -0.288 0.000 0.911 803 Q HN 0.909 nan 8.270 nan 0.000 0.417 804 E N -0.491 119.458 120.200 -0.419 0.000 2.472 804 E HA -0.113 4.235 4.350 -0.003 0.000 0.200 804 E C 0.388 176.592 176.600 -0.660 0.000 1.046 804 E CA 0.524 56.584 56.400 -0.567 0.000 0.871 804 E CB -0.124 29.163 29.700 -0.689 0.000 0.806 804 E HN 0.280 nan 8.360 nan 0.000 0.533 805 F N 0.521 120.427 119.950 -0.074 0.000 2.698 805 F HA 0.309 4.835 4.527 -0.003 0.000 0.304 805 F C 0.095 175.862 175.800 -0.054 0.000 1.108 805 F CA -0.711 57.254 58.000 -0.058 0.000 1.263 805 F CB -0.046 38.920 39.000 -0.057 0.000 1.013 805 F HN -0.092 nan 8.300 nan 0.000 0.532 806 N N 1.792 120.511 118.700 0.032 0.000 2.783 806 N HA -0.257 4.481 4.740 -0.003 0.000 0.247 806 N C -0.190 175.343 175.510 0.038 0.000 1.089 806 N CA 0.122 53.184 53.050 0.021 0.000 0.690 806 N CB -1.358 37.152 38.487 0.039 0.000 0.991 806 N HN 0.506 nan 8.380 nan 0.000 0.552 807 I N 0.695 121.271 120.570 0.010 0.000 2.662 807 I HA 0.009 4.177 4.170 -0.003 0.000 0.285 807 I C -0.098 176.067 176.117 0.080 0.000 1.161 807 I CA 0.560 61.878 61.300 0.031 0.000 1.415 807 I CB 0.273 38.263 38.000 -0.017 0.000 1.385 807 I HN 0.254 nan 8.210 nan 0.000 0.552 808 T N 9.541 124.152 114.554 0.095 0.000 2.801 808 T HA 0.357 4.705 4.350 -0.003 0.000 0.306 808 T C -2.388 172.402 174.700 0.149 0.000 1.020 808 T CA -1.091 61.087 62.100 0.129 0.000 0.948 808 T CB 0.879 69.807 68.868 0.100 0.000 0.962 808 T HN 0.462 nan 8.240 nan 0.000 0.465 809 P HA 0.116 nan 4.420 nan 0.000 0.266 809 P C -1.135 176.185 177.300 0.032 0.000 1.195 809 P CA -0.062 62.974 63.100 -0.107 0.000 0.768 809 P CB 0.268 31.697 31.700 -0.453 0.000 0.838 810 Y N -0.354 120.009 120.300 0.105 0.000 2.625 810 Y HA 0.803 5.351 4.550 -0.003 0.000 0.338 810 Y C -0.235 175.963 175.900 0.497 0.000 1.123 810 Y CA -1.118 57.186 58.100 0.341 0.000 1.046 810 Y CB 0.777 39.363 38.460 0.210 0.000 1.299 810 Y HN 0.571 nan 8.280 nan 0.000 0.464 811 G N -0.288 108.805 108.800 0.489 0.000 3.262 811 G HA2 0.383 4.342 3.960 -0.003 0.000 0.229 811 G HA3 0.383 4.342 3.960 -0.003 0.000 0.229 811 G C 0.457 175.529 174.900 0.287 0.000 1.280 811 G CA -0.360 44.894 45.100 0.257 0.000 0.951 811 G HN 1.069 nan 8.290 nan 0.000 0.589 812 T N -1.626 113.067 114.554 0.233 0.000 2.699 812 T HA -0.186 4.162 4.350 -0.003 0.000 0.268 812 T C 1.879 176.655 174.700 0.127 0.000 1.036 812 T CA 2.235 64.447 62.100 0.187 0.000 1.147 812 T CB -0.225 68.695 68.868 0.086 0.000 0.862 812 T HN 0.408 nan 8.240 nan 0.000 0.446 813 E N 1.077 121.460 120.200 0.306 0.000 2.047 813 E HA -0.052 4.296 4.350 -0.003 0.000 0.191 813 E C 2.440 179.158 176.600 0.197 0.000 0.987 813 E CA 1.696 58.237 56.400 0.235 0.000 0.799 813 E CB -0.893 28.913 29.700 0.177 0.000 0.752 813 E HN 0.545 nan 8.360 nan 0.000 0.449 814 T N 1.120 115.821 114.554 0.246 0.000 2.788 814 T HA -0.146 4.202 4.350 -0.003 0.000 0.268 814 T C 1.695 176.519 174.700 0.207 0.000 1.044 814 T CA 1.332 63.540 62.100 0.180 0.000 1.139 814 T CB -0.254 68.736 68.868 0.203 0.000 0.867 814 T HN 0.210 nan 8.240 nan 0.000 0.454 815 M N 0.562 120.441 119.600 0.464 0.000 2.106 815 M HA -0.188 4.290 4.480 -0.003 0.000 0.259 815 M C 2.027 178.535 176.300 0.347 0.000 1.068 815 M CA 1.886 57.482 55.300 0.494 0.000 1.100 815 M CB -0.508 32.422 32.600 0.549 0.000 1.351 815 M HN 0.483 nan 8.290 nan 0.000 0.404 816 H N -1.421 117.719 119.070 0.117 0.000 2.395 816 H HA -0.069 4.485 4.556 -0.003 0.000 0.299 816 H C 2.163 177.207 175.328 -0.473 0.000 1.070 816 H CA 1.182 57.237 56.048 0.012 0.000 1.356 816 H CB 0.208 30.108 29.762 0.230 0.000 1.401 816 H HN 0.251 nan 8.280 nan 0.000 0.524 817 V N 1.456 121.077 119.914 -0.488 0.000 2.233 817 V HA -0.277 3.841 4.120 -0.003 0.000 0.247 817 V C 2.595 178.480 176.094 -0.348 0.000 1.050 817 V CA 1.596 63.473 62.300 -0.705 0.000 1.010 817 V CB -0.586 31.033 31.823 -0.341 0.000 0.637 817 V HN 0.312 nan 8.190 nan 0.000 0.444 818 L N 0.249 121.332 121.223 -0.233 0.000 2.017 818 L HA -0.169 4.169 4.340 -0.003 0.000 0.208 818 L C 2.822 179.542 176.870 -0.250 0.000 1.073 818 L CA 1.922 56.629 54.840 -0.221 0.000 0.745 818 L CB -0.735 41.236 42.059 -0.148 0.000 0.894 818 L HN 0.374 nan 8.230 nan 0.000 0.432 819 R N 1.108 121.443 120.500 -0.274 0.000 2.148 819 R HA -0.069 4.269 4.340 -0.003 0.000 0.223 819 R C 1.862 177.900 176.300 -0.437 0.000 1.088 819 R CA 1.581 57.411 56.100 -0.451 0.000 0.985 819 R CB -0.412 29.374 30.300 -0.856 0.000 0.880 819 R HN 0.288 nan 8.270 nan 0.000 0.451 820 A N 1.199 123.863 122.820 -0.260 0.000 2.016 820 A HA -0.011 4.308 4.320 -0.003 0.000 0.217 820 A C 1.845 179.450 177.584 0.036 0.000 1.162 820 A CA 0.763 52.758 52.037 -0.069 0.000 0.662 820 A CB -0.151 18.934 19.000 0.142 0.000 0.812 820 A HN 0.501 nan 8.150 nan 0.000 0.450 821 E N 0.038 120.181 120.200 -0.095 0.000 2.268 821 E HA -0.113 4.235 4.350 -0.003 0.000 0.195 821 E C 0.992 177.391 176.600 -0.335 0.000 0.995 821 E CA 0.746 56.951 56.400 -0.325 0.000 0.836 821 E CB 0.055 29.528 29.700 -0.378 0.000 0.763 821 E HN 0.279 nan 8.360 nan 0.000 0.491 822 K N -0.374 119.717 120.400 -0.515 0.000 2.404 822 K HA 0.089 4.407 4.320 -0.003 0.000 0.194 822 K C 0.947 177.119 176.600 -0.714 0.000 1.023 822 K CA 0.576 56.386 56.287 -0.795 0.000 1.094 822 K CB 0.624 32.163 32.500 -1.602 0.000 0.841 822 K HN 0.221 nan 8.250 nan 0.000 0.523 823 G N 2.086 110.642 108.800 -0.406 0.000 2.258 823 G HA2 -0.269 3.689 3.960 -0.003 0.000 0.274 823 G HA3 -0.269 3.689 3.960 -0.003 0.000 0.274 823 G C -0.167 174.682 174.900 -0.086 0.000 1.021 823 G CA 0.034 45.016 45.100 -0.196 0.000 0.798 823 G HN 0.144 nan 8.290 nan 0.000 0.507 824 F N 0.454 120.325 119.950 -0.132 0.000 2.399 824 F HA 0.550 5.075 4.527 -0.003 0.000 0.342 824 F C 1.430 177.199 175.800 -0.051 0.000 1.106 824 F CA -1.950 55.994 58.000 -0.094 0.000 1.196 824 F CB 0.565 39.403 39.000 -0.270 0.000 1.163 824 F HN 0.316 nan 8.300 nan 0.000 0.547 825 I N 1.330 122.076 120.570 0.293 0.000 2.581 825 I HA 0.456 4.624 4.170 -0.003 0.000 0.288 825 I C -0.584 175.725 176.117 0.321 0.000 1.047 825 I CA -0.349 61.083 61.300 0.221 0.000 1.374 825 I CB 0.908 39.029 38.000 0.202 0.000 1.423 825 I HN 0.365 nan 8.210 nan 0.000 0.549 826 I N 5.794 126.520 120.570 0.261 0.000 2.330 826 I HA 0.239 4.407 4.170 -0.003 0.000 0.289 826 I C -0.083 176.160 176.117 0.210 0.000 1.001 826 I CA -0.850 60.605 61.300 0.259 0.000 1.193 826 I CB 1.666 39.785 38.000 0.197 0.000 1.345 826 I HN 0.419 nan 8.210 nan 0.000 0.461 827 V N 6.554 126.565 119.914 0.161 0.000 2.599 827 V HA 0.130 4.248 4.120 -0.003 0.000 0.300 827 V C 1.352 177.524 176.094 0.129 0.000 1.034 827 V CA 1.466 63.840 62.300 0.123 0.000 1.115 827 V CB 0.471 32.325 31.823 0.053 0.000 0.934 827 V HN 1.148 nan 8.190 nan 0.000 0.485 828 G N 3.364 112.249 108.800 0.143 0.000 2.205 828 G HA2 -0.342 3.616 3.960 -0.003 0.000 0.261 828 G HA3 -0.342 3.616 3.960 -0.003 0.000 0.261 828 G C 0.785 175.793 174.900 0.180 0.000 0.980 828 G CA 0.915 46.104 45.100 0.147 0.000 0.632 828 G HN 0.730 nan 8.290 nan 0.000 0.533 829 Q N -0.575 119.346 119.800 0.201 0.000 2.514 829 Q HA 0.143 4.481 4.340 -0.003 0.000 0.208 829 Q C 1.602 177.749 176.000 0.246 0.000 0.938 829 Q CA 0.672 56.597 55.803 0.204 0.000 0.892 829 Q CB 0.320 29.138 28.738 0.133 0.000 1.050 829 Q HN 0.385 nan 8.270 nan 0.000 0.595 830 D N 0.939 121.505 120.400 0.277 0.000 2.349 830 D HA 0.009 4.647 4.640 -0.003 0.000 0.215 830 D C 0.112 176.511 176.300 0.165 0.000 1.016 830 D CA 0.716 54.825 54.000 0.182 0.000 0.870 830 D CB 0.634 41.533 40.800 0.164 0.000 0.917 830 D HN 0.317 nan 8.370 nan 0.000 0.524 831 T N -0.508 114.167 114.554 0.201 0.000 2.863 831 T HA 0.412 4.760 4.350 -0.003 0.000 0.285 831 T C -0.324 174.509 174.700 0.222 0.000 1.009 831 T CA -0.849 61.368 62.100 0.195 0.000 0.989 831 T CB 2.341 71.302 68.868 0.156 0.000 1.004 831 T HN -0.189 nan 8.240 nan 0.000 0.455 832 D N -0.326 120.206 120.400 0.220 0.000 2.673 832 D HA 0.312 4.951 4.640 -0.003 0.000 0.278 832 D C 1.398 177.775 176.300 0.129 0.000 1.393 832 D CA -0.022 54.091 54.000 0.188 0.000 0.805 832 D CB -0.329 40.606 40.800 0.224 0.000 1.110 832 D HN 1.198 nan 8.370 nan 0.000 0.476 833 G N 0.550 109.426 108.800 0.126 0.000 2.199 833 G HA2 -0.331 3.628 3.960 -0.003 0.000 0.254 833 G HA3 -0.331 3.628 3.960 -0.003 0.000 0.254 833 G C 0.987 175.949 174.900 0.103 0.000 0.982 833 G CA 0.781 45.942 45.100 0.100 0.000 0.632 833 G HN 0.798 nan 8.290 nan 0.000 0.529 834 T N -2.227 112.401 114.554 0.124 0.000 3.132 834 T HA 0.597 4.945 4.350 -0.003 0.000 0.274 834 T C 0.304 175.090 174.700 0.144 0.000 1.011 834 T CA 0.438 62.614 62.100 0.126 0.000 0.899 834 T CB 1.048 69.990 68.868 0.122 0.000 1.089 834 T HN 0.661 nan 8.240 nan 0.000 0.543 835 V N 3.485 123.488 119.914 0.150 0.000 2.398 835 V HA 0.562 4.681 4.120 -0.003 0.000 0.286 835 V C 0.771 176.949 176.094 0.140 0.000 1.026 835 V CA -0.722 61.664 62.300 0.144 0.000 0.868 835 V CB 1.255 33.165 31.823 0.146 0.000 0.982 835 V HN 0.676 nan 8.190 nan 0.000 0.443 836 T N 2.943 117.572 114.554 0.126 0.000 2.881 836 T HA 0.398 4.746 4.350 -0.003 0.000 0.278 836 T C -1.880 172.848 174.700 0.047 0.000 0.982 836 T CA -1.984 60.196 62.100 0.133 0.000 0.989 836 T CB 1.677 70.598 68.868 0.088 0.000 1.058 836 T HN 0.372 nan 8.240 nan 0.000 0.529 837 P HA -0.086 nan 4.420 nan 0.000 0.216 837 P C 1.472 178.682 177.300 -0.150 0.000 1.150 837 P CA 1.110 64.171 63.100 -0.065 0.000 0.837 837 P CB 0.020 31.677 31.700 -0.072 0.000 0.786 838 Q N -0.576 119.093 119.800 -0.218 0.000 2.046 838 Q HA -0.143 4.195 4.340 -0.003 0.000 0.200 838 Q C 1.884 177.794 176.000 -0.151 0.000 0.975 838 Q CA 1.452 57.124 55.803 -0.218 0.000 0.836 838 Q CB -0.975 27.597 28.738 -0.277 0.000 0.896 838 Q HN 0.250 nan 8.270 nan 0.000 0.428 839 D N 0.445 120.799 120.400 -0.077 0.000 2.158 839 D HA -0.152 4.486 4.640 -0.003 0.000 0.197 839 D C 1.041 177.348 176.300 0.011 0.000 0.995 839 D CA 1.519 55.525 54.000 0.009 0.000 0.846 839 D CB -0.218 40.638 40.800 0.093 0.000 0.941 839 D HN 0.315 nan 8.370 nan 0.000 0.456 840 A N -0.323 122.500 122.820 0.004 0.000 2.302 840 A HA 0.446 4.764 4.320 -0.003 0.000 0.219 840 A C 1.578 179.177 177.584 0.026 0.000 1.243 840 A CA 0.744 52.800 52.037 0.031 0.000 0.856 840 A CB -0.400 18.631 19.000 0.053 0.000 0.893 840 A HN 0.222 nan 8.150 nan 0.000 0.491 841 G N -0.987 107.804 108.800 -0.016 0.000 2.176 841 G HA2 -0.253 3.705 3.960 -0.003 0.000 0.252 841 G HA3 -0.253 3.705 3.960 -0.003 0.000 0.252 841 G C 0.280 175.218 174.900 0.064 0.000 1.024 841 G CA 0.564 45.681 45.100 0.028 0.000 0.755 841 G HN 0.473 nan 8.290 nan 0.000 0.507 842 M N -0.161 119.352 119.600 -0.145 0.000 2.963 842 M HA 0.247 4.725 4.480 -0.003 0.000 0.350 842 M C 1.289 177.245 176.300 -0.573 0.000 1.253 842 M CA -0.185 54.766 55.300 -0.583 0.000 0.856 842 M CB 0.598 32.882 32.600 -0.527 0.000 1.356 842 M HN 0.343 nan 8.290 nan 0.000 0.510 843 E N 1.716 121.755 120.200 -0.268 0.000 2.160 843 E HA -0.184 4.165 4.350 -0.003 0.000 0.195 843 E C 1.732 178.270 176.600 -0.104 0.000 0.991 843 E CA 1.928 58.231 56.400 -0.162 0.000 0.810 843 E CB 0.127 29.793 29.700 -0.057 0.000 0.742 843 E HN 0.786 nan 8.360 nan 0.000 0.466 844 W N -0.330 120.980 121.300 0.016 0.000 2.392 844 W HA -0.095 4.564 4.660 -0.003 0.000 0.279 844 W C 1.624 178.166 176.519 0.037 0.000 1.225 844 W CA 0.349 57.709 57.345 0.026 0.000 1.233 844 W CB -0.930 28.545 29.460 0.026 0.000 1.122 844 W HN -0.054 nan 8.180 nan 0.000 0.561 845 V N 2.036 121.606 119.914 -0.573 0.000 2.970 845 V HA -0.067 4.051 4.120 -0.003 0.000 0.260 845 V C 0.928 176.900 176.094 -0.203 0.000 1.100 845 V CA 0.723 62.741 62.300 -0.470 0.000 1.122 845 V CB -0.448 30.845 31.823 -0.883 0.000 0.721 845 V HN -0.067 nan 8.190 nan 0.000 0.483 846 V N 1.869 121.710 119.914 -0.123 0.000 2.387 846 V HA 0.180 4.298 4.120 -0.003 0.000 0.260 846 V C 0.653 176.835 176.094 0.147 0.000 1.054 846 V CA 0.310 62.638 62.300 0.047 0.000 0.967 846 V CB 0.730 32.623 31.823 0.115 0.000 1.036 846 V HN 0.462 nan 8.190 nan 0.000 0.481 847 S N 4.783 120.589 115.700 0.176 0.000 2.525 847 S HA 0.092 4.561 4.470 -0.003 0.000 0.285 847 S C 1.004 175.759 174.600 0.257 0.000 1.283 847 S CA -0.506 57.816 58.200 0.203 0.000 1.072 847 S CB 0.292 63.611 63.200 0.198 0.000 0.867 847 S HN 0.837 nan 8.310 nan 0.000 0.492 848 K N 4.597 125.095 120.400 0.164 0.000 2.410 848 K HA 0.330 4.648 4.320 -0.003 0.000 0.200 848 K C 0.598 177.259 176.600 0.102 0.000 1.023 848 K CA 0.457 56.823 56.287 0.132 0.000 1.149 848 K CB -0.092 32.468 32.500 0.100 0.000 0.859 848 K HN 0.581 nan 8.250 nan 0.000 0.514 849 L N -0.164 121.124 121.223 0.109 0.000 2.609 849 L HA 0.250 4.588 4.340 -0.003 0.000 0.230 849 L C -0.181 176.735 176.870 0.077 0.000 1.064 849 L CA -0.221 54.666 54.840 0.078 0.000 0.873 849 L CB 0.187 42.285 42.059 0.065 0.000 1.139 849 L HN 0.113 nan 8.230 nan 0.000 0.490 850 K N -1.586 118.884 120.400 0.117 0.000 2.477 850 K HA 0.497 4.815 4.320 -0.003 0.000 0.255 850 K C -1.294 175.387 176.600 0.136 0.000 0.952 850 K CA -0.768 55.584 56.287 0.108 0.000 0.826 850 K CB 1.442 34.005 32.500 0.105 0.000 1.331 850 K HN -0.302 nan 8.250 nan 0.000 0.437 851 D N 0.605 121.027 120.400 0.036 0.000 2.313 851 D HA 0.520 5.158 4.640 -0.003 0.000 0.247 851 D C -0.925 175.385 176.300 0.017 0.000 1.094 851 D CA -0.205 53.740 54.000 -0.092 0.000 0.925 851 D CB 0.424 41.156 40.800 -0.113 0.000 1.188 851 D HN 0.460 nan 8.370 nan 0.000 0.430 852 F N -0.582 119.339 119.950 -0.048 0.000 2.686 852 F HA 0.430 4.955 4.527 -0.003 0.000 0.311 852 F C -0.887 174.854 175.800 -0.098 0.000 1.128 852 F CA -1.456 56.496 58.000 -0.080 0.000 0.946 852 F CB 0.352 39.323 39.000 -0.048 0.000 1.336 852 F HN -0.020 nan 8.300 nan 0.000 0.457 853 V N 2.605 122.581 119.914 0.104 0.000 2.506 853 V HA 0.330 4.448 4.120 -0.003 0.000 0.296 853 V C 1.003 177.179 176.094 0.136 0.000 1.004 853 V CA 2.037 64.346 62.300 0.015 0.000 1.150 853 V CB -0.192 31.512 31.823 -0.198 0.000 0.911 853 V HN 1.468 nan 8.190 nan 0.000 0.476 854 G N 4.155 112.920 108.800 -0.058 0.000 2.391 854 G HA2 -0.241 3.718 3.960 -0.003 0.000 0.204 854 G HA3 -0.241 3.718 3.960 -0.003 0.000 0.204 854 G C 1.088 175.594 174.900 -0.658 0.000 1.012 854 G CA 0.342 45.329 45.100 -0.189 0.000 0.651 854 G HN 0.624 nan 8.290 nan 0.000 0.494 855 K N 0.644 120.530 120.400 -0.856 0.000 2.074 855 K HA -0.157 4.161 4.320 -0.003 0.000 0.209 855 K C 2.456 178.674 176.600 -0.636 0.000 1.048 855 K CA 1.961 57.580 56.287 -1.113 0.000 0.926 855 K CB -0.132 31.524 32.500 -1.407 0.000 0.713 855 K HN 0.271 nan 8.250 nan 0.000 0.444 856 R N 0.755 121.011 120.500 -0.407 0.000 2.139 856 R HA -0.060 4.278 4.340 -0.003 0.000 0.243 856 R C 1.824 178.036 176.300 -0.146 0.000 1.145 856 R CA 2.029 58.008 56.100 -0.202 0.000 0.976 856 R CB -0.660 29.566 30.300 -0.124 0.000 0.866 856 R HN 0.071 nan 8.270 nan 0.000 0.449 857 S N -0.219 115.347 115.700 -0.223 0.000 2.447 857 S HA 0.004 4.472 4.470 -0.003 0.000 0.233 857 S C 1.400 176.047 174.600 0.079 0.000 1.006 857 S CA 0.869 59.018 58.200 -0.084 0.000 0.957 857 S CB -0.296 62.853 63.200 -0.085 0.000 0.773 857 S HN 0.394 nan 8.310 nan 0.000 0.507 858 F N 1.886 121.846 119.950 0.017 0.000 2.408 858 F HA -0.107 4.418 4.527 -0.003 0.000 0.300 858 F C 2.463 178.277 175.800 0.024 0.000 1.090 858 F CA 0.626 58.643 58.000 0.029 0.000 1.427 858 F CB -0.120 38.897 39.000 0.028 0.000 1.070 858 F HN 0.286 nan 8.300 nan 0.000 0.549 859 S N -0.715 115.097 115.700 0.186 0.000 2.540 859 S HA 0.152 4.620 4.470 -0.003 0.000 0.218 859 S C 0.621 175.272 174.600 0.085 0.000 0.977 859 S CA -0.564 57.705 58.200 0.114 0.000 0.918 859 S CB -0.107 63.139 63.200 0.076 0.000 0.806 859 S HN 0.132 nan 8.310 nan 0.000 0.496 860 R N 1.806 122.360 120.500 0.090 0.000 2.734 860 R HA 0.135 4.473 4.340 -0.003 0.000 0.266 860 R C 1.495 177.837 176.300 0.071 0.000 1.044 860 R CA 0.254 56.396 56.100 0.071 0.000 1.128 860 R CB 0.329 30.671 30.300 0.071 0.000 1.010 860 R HN 0.467 nan 8.270 nan 0.000 0.461 861 E N 1.550 121.783 120.200 0.056 0.000 2.065 861 E HA -0.334 4.015 4.350 -0.003 0.000 0.201 861 E C 1.159 177.793 176.600 0.058 0.000 1.016 861 E CA 2.306 58.736 56.400 0.051 0.000 0.818 861 E CB -0.027 29.698 29.700 0.041 0.000 0.749 861 E HN 0.672 nan 8.360 nan 0.000 0.453 862 D N -0.379 120.058 120.400 0.061 0.000 2.178 862 D HA -0.140 4.498 4.640 -0.003 0.000 0.201 862 D C 1.623 177.972 176.300 0.081 0.000 0.980 862 D CA 1.263 55.302 54.000 0.066 0.000 0.842 862 D CB -0.097 40.742 40.800 0.065 0.000 0.948 862 D HN 0.205 nan 8.370 nan 0.000 0.472 863 N N -0.464 118.294 118.700 0.097 0.000 2.459 863 N HA -0.075 4.663 4.740 -0.003 0.000 0.181 863 N C 1.367 176.930 175.510 0.087 0.000 1.046 863 N CA 1.042 54.161 53.050 0.114 0.000 0.904 863 N CB 0.748 39.340 38.487 0.175 0.000 0.964 863 N HN 0.295 nan 8.380 nan 0.000 0.444 864 V N -2.049 117.910 119.914 0.075 0.000 3.528 864 V HA 0.282 4.400 4.120 -0.003 0.000 0.294 864 V C 0.793 176.922 176.094 0.057 0.000 1.404 864 V CA -0.393 61.944 62.300 0.062 0.000 1.065 864 V CB -0.175 31.682 31.823 0.057 0.000 0.904 864 V HN -0.017 nan 8.190 nan 0.000 0.435 865 R N 1.259 121.794 120.500 0.059 0.000 2.758 865 R HA 0.054 4.393 4.340 -0.003 0.000 0.263 865 R C 0.890 177.224 176.300 0.057 0.000 1.010 865 R CA 0.699 56.830 56.100 0.052 0.000 1.114 865 R CB 0.537 30.867 30.300 0.050 0.000 0.985 865 R HN 0.499 nan 8.270 nan 0.000 0.439 866 E N 0.672 120.899 120.200 0.044 0.000 2.435 866 E HA -0.098 4.250 4.350 -0.003 0.000 0.195 866 E C 0.078 176.691 176.600 0.022 0.000 1.029 866 E CA 0.665 57.092 56.400 0.045 0.000 0.865 866 E CB 0.268 29.988 29.700 0.034 0.000 0.833 866 E HN 0.536 nan 8.360 nan 0.000 0.510 867 D N 0.002 120.407 120.400 0.008 0.000 2.501 867 D HA 0.025 4.663 4.640 -0.003 0.000 0.226 867 D C -0.046 176.231 176.300 -0.038 0.000 1.198 867 D CA -0.290 53.691 54.000 -0.033 0.000 0.830 867 D CB -0.134 40.659 40.800 -0.012 0.000 1.014 867 D HN -0.094 nan 8.370 nan 0.000 0.496 868 R N 1.143 121.642 120.500 -0.001 0.000 2.679 868 R HA 0.163 4.501 4.340 -0.003 0.000 0.268 868 R C 0.479 176.763 176.300 -0.026 0.000 1.044 868 R CA -0.099 56.026 56.100 0.042 0.000 1.105 868 R CB 0.970 31.350 30.300 0.132 0.000 0.989 868 R HN 0.032 nan 8.270 nan 0.000 0.447 869 K N 3.437 123.865 120.400 0.045 0.000 2.416 869 K HA 0.031 4.349 4.320 -0.003 0.000 0.283 869 K C -0.214 176.480 176.600 0.156 0.000 1.037 869 K CA 0.378 56.689 56.287 0.040 0.000 0.995 869 K CB 0.325 32.888 32.500 0.105 0.000 0.938 869 K HN 0.551 nan 8.250 nan 0.000 0.475 870 H N 1.320 120.408 119.070 0.030 0.000 2.463 870 H HA 0.189 4.743 4.556 -0.003 0.000 0.332 870 H C -0.149 175.181 175.328 0.003 0.000 1.127 870 H CA -0.994 55.066 56.048 0.019 0.000 1.238 870 H CB 1.586 31.358 29.762 0.018 0.000 1.478 870 H HN 0.251 nan 8.280 nan 0.000 0.499 871 L N 5.162 126.462 121.223 0.127 0.000 2.515 871 L HA 0.098 4.437 4.340 -0.003 0.000 0.281 871 L C -0.224 176.679 176.870 0.056 0.000 1.131 871 L CA 0.061 54.933 54.840 0.053 0.000 0.905 871 L CB -0.493 41.589 42.059 0.039 0.000 1.246 871 L HN 0.457 nan 8.230 nan 0.000 0.463 872 V N 1.762 121.700 119.914 0.040 0.000 3.145 872 V HA 0.750 4.868 4.120 -0.003 0.000 0.311 872 V C -0.021 176.095 176.094 0.036 0.000 1.238 872 V CA -0.630 61.696 62.300 0.043 0.000 1.066 872 V CB 1.737 33.593 31.823 0.056 0.000 1.144 872 V HN 0.704 nan 8.190 nan 0.000 0.465 873 S N -0.449 115.282 115.700 0.052 0.000 2.722 873 S HA 0.887 5.356 4.470 -0.003 0.000 0.292 873 S C -0.712 173.937 174.600 0.081 0.000 1.135 873 S CA -0.616 57.642 58.200 0.096 0.000 1.003 873 S CB 1.704 64.976 63.200 0.121 0.000 1.067 873 S HN 1.350 nan 8.310 nan 0.000 0.546 874 V N 0.935 120.918 119.914 0.114 0.000 2.888 874 V HA 0.554 4.672 4.120 -0.003 0.000 0.309 874 V C -1.481 174.684 176.094 0.117 0.000 1.114 874 V CA -0.802 61.546 62.300 0.080 0.000 0.940 874 V CB 1.896 33.742 31.823 0.039 0.000 1.021 874 V HN 0.913 nan 8.190 nan 0.000 0.426 875 L N 6.616 127.890 121.223 0.085 0.000 2.415 875 L HA 0.476 4.814 4.340 -0.003 0.000 0.268 875 L C -2.617 174.291 176.870 0.062 0.000 0.984 875 L CA -1.621 53.276 54.840 0.094 0.000 0.853 875 L CB 2.326 44.431 42.059 0.076 0.000 1.215 875 L HN 0.435 nan 8.230 nan 0.000 0.419 876 P HA -0.018 nan 4.420 nan 0.000 0.267 876 P C 1.191 178.513 177.300 0.037 0.000 1.205 876 P CA -0.259 62.865 63.100 0.039 0.000 0.765 876 P CB 0.934 32.654 31.700 0.032 0.000 0.828 877 V N 0.587 120.518 119.914 0.028 0.000 2.324 877 V HA -0.207 3.911 4.120 -0.003 0.000 0.250 877 V C 0.915 177.023 176.094 0.022 0.000 1.060 877 V CA 1.920 64.234 62.300 0.024 0.000 1.042 877 V CB -1.253 30.581 31.823 0.018 0.000 0.650 877 V HN 0.410 nan 8.190 nan 0.000 0.450 878 D N 1.337 121.749 120.400 0.021 0.000 2.344 878 D HA 0.140 4.778 4.640 -0.003 0.000 0.253 878 D C 1.418 177.734 176.300 0.026 0.000 1.255 878 D CA 0.762 54.773 54.000 0.019 0.000 0.894 878 D CB 1.109 41.918 40.800 0.014 0.000 1.067 878 D HN 0.613 nan 8.370 nan 0.000 0.492 879 S N 1.684 117.401 115.700 0.029 0.000 2.595 879 S HA -0.128 4.340 4.470 -0.003 0.000 0.235 879 S C 1.358 175.984 174.600 0.044 0.000 0.974 879 S CA 0.705 58.930 58.200 0.041 0.000 0.942 879 S CB -0.257 62.966 63.200 0.038 0.000 0.766 879 S HN 0.370 nan 8.310 nan 0.000 0.536 880 S N -0.167 115.551 115.700 0.029 0.000 2.603 880 S HA 0.354 4.822 4.470 -0.003 0.000 0.232 880 S C 0.074 174.683 174.600 0.015 0.000 1.016 880 S CA -0.630 57.583 58.200 0.022 0.000 0.976 880 S CB -0.393 62.810 63.200 0.006 0.000 0.921 880 S HN 0.391 nan 8.310 nan 0.000 0.516 881 L N 3.478 124.710 121.223 0.016 0.000 2.369 881 L HA 0.461 4.799 4.340 -0.003 0.000 0.279 881 L C 0.168 177.040 176.870 0.004 0.000 1.108 881 L CA -0.117 54.728 54.840 0.008 0.000 0.852 881 L CB 0.314 42.379 42.059 0.008 0.000 1.169 881 L HN 0.233 nan 8.230 nan 0.000 0.452 882 R N 5.442 125.938 120.500 -0.008 0.000 2.202 882 R HA 0.387 4.725 4.340 -0.003 0.000 0.334 882 R C -0.694 175.583 176.300 -0.038 0.000 1.036 882 R CA -0.598 55.485 56.100 -0.029 0.000 0.878 882 R CB 0.381 30.661 30.300 -0.034 0.000 1.067 882 R HN 0.757 nan 8.270 nan 0.000 0.457 883 L N 3.478 124.670 121.223 -0.051 0.000 2.485 883 L HA 0.092 4.430 4.340 -0.003 0.000 0.275 883 L C 0.651 177.487 176.870 -0.057 0.000 1.207 883 L CA -0.144 54.669 54.840 -0.045 0.000 0.855 883 L CB 0.676 42.705 42.059 -0.049 0.000 1.114 883 L HN 0.742 nan 8.230 nan 0.000 0.485 884 A N 3.643 126.448 122.820 -0.024 0.000 2.450 884 A HA 0.138 4.456 4.320 -0.003 0.000 0.255 884 A C 0.193 177.772 177.584 -0.009 0.000 1.096 884 A CA -0.396 51.633 52.037 -0.015 0.000 0.778 884 A CB -0.095 18.912 19.000 0.011 0.000 1.031 884 A HN 0.771 nan 8.150 nan 0.000 0.494 885 E N 0.859 121.042 120.200 -0.029 0.000 2.493 885 E HA 0.313 4.662 4.350 -0.003 0.000 0.255 885 E C 1.172 177.846 176.600 0.123 0.000 0.999 885 E CA 1.228 57.632 56.400 0.006 0.000 0.934 885 E CB 0.219 29.893 29.700 -0.044 0.000 0.940 885 E HN 1.157 nan 8.360 nan 0.000 0.473 886 G N 2.370 111.330 108.800 0.268 0.000 2.253 886 G HA2 -0.252 3.706 3.960 -0.003 0.000 0.209 886 G HA3 -0.252 3.706 3.960 -0.003 0.000 0.209 886 G C 0.431 175.476 174.900 0.241 0.000 0.997 886 G CA -0.321 44.969 45.100 0.317 0.000 0.640 886 G HN 0.818 nan 8.290 nan 0.000 0.496 887 A N 0.620 123.539 122.820 0.165 0.000 2.565 887 A HA 0.596 4.915 4.320 -0.003 0.000 0.237 887 A C 1.026 178.707 177.584 0.163 0.000 1.053 887 A CA 1.367 53.475 52.037 0.117 0.000 0.755 887 A CB 0.154 19.194 19.000 0.066 0.000 0.980 887 A HN 2.135 nan 8.150 nan 0.000 0.506 888 A N 2.753 125.643 122.820 0.118 0.000 2.366 888 A HA 0.561 4.879 4.320 -0.003 0.000 0.272 888 A C -0.271 177.370 177.584 0.095 0.000 1.135 888 A CA -0.386 51.726 52.037 0.124 0.000 0.804 888 A CB 0.062 19.108 19.000 0.077 0.000 1.064 888 A HN 0.718 nan 8.150 nan 0.000 0.499 889 L N 2.982 124.267 121.223 0.105 0.000 2.295 889 L HA 0.542 4.880 4.340 -0.003 0.000 0.285 889 L C 0.067 176.972 176.870 0.058 0.000 1.035 889 L CA -0.259 54.623 54.840 0.070 0.000 0.806 889 L CB 1.174 43.271 42.059 0.064 0.000 1.214 889 L HN 0.446 nan 8.230 nan 0.000 0.426 890 V N 2.791 122.730 119.914 0.042 0.000 2.769 890 V HA 0.775 4.894 4.120 -0.003 0.000 0.312 890 V C 0.149 176.259 176.094 0.026 0.000 1.061 890 V CA -0.952 61.368 62.300 0.033 0.000 0.931 890 V CB 2.136 33.977 31.823 0.029 0.000 1.010 890 V HN 0.932 nan 8.190 nan 0.000 0.433 891 A N 3.724 126.557 122.820 0.022 0.000 2.498 891 A HA 0.534 4.852 4.320 -0.003 0.000 0.239 891 A C 1.548 179.142 177.584 0.016 0.000 1.068 891 A CA 0.594 52.642 52.037 0.017 0.000 0.766 891 A CB 0.327 19.335 19.000 0.015 0.000 1.003 891 A HN 1.634 nan 8.150 nan 0.000 0.497 892 A N 1.791 124.620 122.820 0.014 0.000 1.903 892 A HA -0.206 4.112 4.320 -0.003 0.000 0.219 892 A C 1.456 179.047 177.584 0.011 0.000 1.191 892 A CA 2.134 54.179 52.037 0.013 0.000 0.638 892 A CB -0.582 18.425 19.000 0.012 0.000 0.823 892 A HN 0.934 nan 8.150 nan 0.000 0.451 893 D N -0.141 120.266 120.400 0.011 0.000 2.319 893 D HA 0.371 5.010 4.640 -0.003 0.000 0.230 893 D C 0.495 176.801 176.300 0.010 0.000 1.094 893 D CA 0.419 54.425 54.000 0.010 0.000 0.856 893 D CB -0.706 40.099 40.800 0.009 0.000 0.915 893 D HN 0.412 nan 8.370 nan 0.000 0.517 894 A N 0.639 123.466 122.820 0.011 0.000 2.477 894 A HA 0.476 4.794 4.320 -0.003 0.000 0.246 894 A C 0.415 178.005 177.584 0.011 0.000 1.078 894 A CA -0.380 51.664 52.037 0.012 0.000 0.770 894 A CB 0.460 19.468 19.000 0.014 0.000 1.011 894 A HN 0.346 nan 8.150 nan 0.000 0.494 895 V N -0.343 119.577 119.914 0.010 0.000 2.864 895 V HA 0.890 5.008 4.120 -0.003 0.000 0.314 895 V C 0.298 176.397 176.094 0.008 0.000 1.073 895 V CA -0.595 61.710 62.300 0.009 0.000 0.956 895 V CB 1.158 32.985 31.823 0.007 0.000 1.023 895 V HN 1.511 nan 8.190 nan 0.000 0.435 896 A N 2.397 125.221 122.820 0.007 0.000 2.354 896 A HA 0.771 5.089 4.320 -0.003 0.000 0.269 896 A C 0.337 177.924 177.584 0.006 0.000 1.109 896 A CA -0.309 51.733 52.037 0.007 0.000 0.800 896 A CB 0.516 19.520 19.000 0.006 0.000 1.045 896 A HN 1.206 nan 8.150 nan 0.000 0.489 897 S N 1.517 117.220 115.700 0.005 0.000 2.745 897 S HA 0.446 4.915 4.470 -0.003 0.000 0.283 897 S C -0.417 174.185 174.600 0.003 0.000 1.170 897 S CA -0.461 57.742 58.200 0.004 0.000 1.119 897 S CB 0.615 63.818 63.200 0.005 0.000 1.035 897 S HN 0.807 nan 8.310 nan 0.000 0.483 898 E N 1.420 121.622 120.200 0.003 0.000 2.416 898 E HA -0.244 4.104 4.350 -0.003 0.000 0.249 898 E C 0.961 177.562 176.600 0.002 0.000 1.124 898 E CA 0.553 56.954 56.400 0.002 0.000 0.732 898 E CB -1.469 28.232 29.700 0.002 0.000 1.286 898 E HN 1.312 nan 8.360 nan 0.000 0.394 899 G N -1.449 107.353 108.800 0.002 0.000 2.212 899 G HA2 -0.372 3.586 3.960 -0.003 0.000 0.266 899 G HA3 -0.372 3.586 3.960 -0.003 0.000 0.266 899 G C 0.360 175.262 174.900 0.003 0.000 0.978 899 G CA 0.356 45.457 45.100 0.002 0.000 0.632 899 G HN 0.422 nan 8.290 nan 0.000 0.537 900 V N 1.607 121.522 119.914 0.003 0.000 2.383 900 V HA 0.675 4.793 4.120 -0.003 0.000 0.275 900 V C 0.543 176.641 176.094 0.006 0.000 1.036 900 V CA 0.350 62.652 62.300 0.004 0.000 0.889 900 V CB 1.467 33.292 31.823 0.003 0.000 0.985 900 V HN 0.631 nan 8.190 nan 0.000 0.459 901 T N 5.616 120.174 114.554 0.008 0.000 2.792 901 T HA 0.597 4.946 4.350 -0.003 0.000 0.280 901 T C -2.579 172.129 174.700 0.013 0.000 0.990 901 T CA -1.888 60.218 62.100 0.010 0.000 0.960 901 T CB 1.622 70.496 68.868 0.011 0.000 0.939 901 T HN 0.467 nan 8.240 nan 0.000 0.439 902 P HA 0.254 nan 4.420 nan 0.000 0.265 902 P C -0.574 176.740 177.300 0.023 0.000 1.193 902 P CA -0.001 63.109 63.100 0.017 0.000 0.765 902 P CB 0.327 32.036 31.700 0.015 0.000 0.823 903 M N 2.095 121.713 119.600 0.029 0.000 2.537 903 M HA 0.184 4.662 4.480 -0.003 0.000 0.324 903 M C 1.102 177.430 176.300 0.048 0.000 1.187 903 M CA -0.471 54.854 55.300 0.043 0.000 0.993 903 M CB 1.782 34.414 32.600 0.053 0.000 1.666 903 M HN 0.262 nan 8.290 nan 0.000 0.461 904 E N 0.757 120.989 120.200 0.054 0.000 2.364 904 E HA 0.339 4.687 4.350 -0.003 0.000 0.196 904 E C 0.669 177.313 176.600 0.074 0.000 0.990 904 E CA 0.317 56.746 56.400 0.047 0.000 0.886 904 E CB 0.829 30.548 29.700 0.031 0.000 0.866 904 E HN 0.944 nan 8.360 nan 0.000 0.493 905 G N 0.141 109.014 108.800 0.122 0.000 2.368 905 G HA2 0.232 4.190 3.960 -0.003 0.000 0.269 905 G HA3 0.232 4.190 3.960 -0.003 0.000 0.269 905 G C -1.809 173.270 174.900 0.298 0.000 1.291 905 G CA -0.438 44.790 45.100 0.213 0.000 0.903 905 G HN 0.040 nan 8.290 nan 0.000 0.483 906 W N -0.471 120.844 121.300 0.025 0.000 3.118 906 W HA 0.677 5.336 4.660 -0.003 0.000 0.328 906 W C -1.246 175.291 176.519 0.030 0.000 1.239 906 W CA -1.397 55.961 57.345 0.022 0.000 1.176 906 W CB 0.844 30.315 29.460 0.019 0.000 1.433 906 W HN 0.662 nan 8.180 nan 0.000 0.562 907 V N 2.929 122.848 119.914 0.009 0.000 2.389 907 V HA 0.116 4.234 4.120 -0.003 0.000 0.264 907 V C 1.489 177.430 176.094 -0.255 0.000 1.049 907 V CA 0.745 62.956 62.300 -0.149 0.000 0.932 907 V CB 0.566 32.366 31.823 -0.039 0.000 1.011 907 V HN 0.723 nan 8.190 nan 0.000 0.475 908 T N 0.597 114.829 114.554 -0.536 0.000 3.014 908 T HA 0.049 4.398 4.350 -0.003 0.000 0.263 908 T C 0.620 175.174 174.700 -0.243 0.000 1.078 908 T CA 0.745 62.541 62.100 -0.506 0.000 1.135 908 T CB -0.020 68.584 68.868 -0.439 0.000 0.895 908 T HN 0.677 nan 8.240 nan 0.000 0.480 909 H N 0.142 119.072 119.070 -0.233 0.000 2.966 909 H HA 0.639 5.194 4.556 -0.003 0.000 0.347 909 H C -1.347 173.633 175.328 -0.579 0.000 1.048 909 H CA -0.807 55.044 56.048 -0.327 0.000 1.295 909 H CB 2.044 31.724 29.762 -0.137 0.000 1.744 909 H HN 0.395 nan 8.280 nan 0.000 0.513 910 A N 3.685 126.049 122.820 -0.760 0.000 2.374 910 A HA 0.708 5.026 4.320 -0.003 0.000 0.305 910 A C -1.745 175.165 177.584 -1.122 0.000 1.053 910 A CA -0.533 51.043 52.037 -0.768 0.000 0.726 910 A CB 1.243 20.017 19.000 -0.377 0.000 1.229 910 A HN 0.558 nan 8.150 nan 0.000 0.431 911 Y N 0.375 120.429 120.300 -0.410 0.000 2.605 911 Y HA 0.471 5.019 4.550 -0.003 0.000 0.343 911 Y C 0.316 176.166 175.900 -0.083 0.000 1.036 911 Y CA -0.908 57.065 58.100 -0.212 0.000 1.065 911 Y CB 1.928 40.281 38.460 -0.178 0.000 1.288 911 Y HN 0.734 nan 8.280 nan 0.000 0.481 912 N N 1.045 119.864 118.700 0.198 0.000 2.425 912 N HA 0.306 5.044 4.740 -0.003 0.000 0.268 912 N C -1.320 174.355 175.510 0.275 0.000 0.991 912 N CA -0.238 52.944 53.050 0.220 0.000 0.931 912 N CB 0.808 39.406 38.487 0.185 0.000 1.130 912 N HN 0.681 nan 8.380 nan 0.000 0.493 913 S N 3.841 119.705 115.700 0.274 0.000 2.474 913 S HA 0.395 4.863 4.470 -0.003 0.000 0.321 913 S C -2.004 172.574 174.600 -0.038 0.000 1.080 913 S CA -1.375 56.892 58.200 0.112 0.000 1.106 913 S CB 2.005 65.283 63.200 0.131 0.000 0.984 913 S HN 0.414 nan 8.310 nan 0.000 0.464 914 P HA -0.211 nan 4.420 nan 0.000 0.214 914 P C 1.796 178.930 177.300 -0.277 0.000 1.169 914 P CA 2.403 65.196 63.100 -0.511 0.000 0.908 914 P CB -0.221 30.960 31.700 -0.864 0.000 0.791 915 A N -0.560 122.031 122.820 -0.381 0.000 1.881 915 A HA -0.235 4.083 4.320 -0.003 0.000 0.219 915 A C 2.263 179.716 177.584 -0.217 0.000 1.215 915 A CA 2.395 54.158 52.037 -0.456 0.000 0.648 915 A CB -1.821 16.530 19.000 -1.082 0.000 0.832 915 A HN 0.185 nan 8.150 nan 0.000 0.455 916 L N -1.488 119.622 121.223 -0.189 0.000 2.492 916 L HA 0.204 4.542 4.340 -0.003 0.000 0.223 916 L C 1.678 178.544 176.870 -0.008 0.000 1.132 916 L CA 0.453 55.251 54.840 -0.070 0.000 0.850 916 L CB -0.342 41.641 42.059 -0.126 0.000 0.966 916 L HN 0.671 nan 8.230 nan 0.000 0.454 917 G N 1.640 110.444 108.800 0.006 0.000 2.198 917 G HA2 -0.292 3.666 3.960 -0.003 0.000 0.260 917 G HA3 -0.292 3.666 3.960 -0.003 0.000 0.260 917 G C 0.233 175.183 174.900 0.084 0.000 1.025 917 G CA 0.700 45.836 45.100 0.060 0.000 0.769 917 G HN 0.567 nan 8.290 nan 0.000 0.507 918 R N -2.289 118.274 120.500 0.106 0.000 2.774 918 R HA 0.603 4.942 4.340 -0.003 0.000 0.279 918 R C -0.152 176.261 176.300 0.187 0.000 1.022 918 R CA -0.211 55.961 56.100 0.120 0.000 0.855 918 R CB -0.142 30.210 30.300 0.088 0.000 1.279 918 R HN 0.666 nan 8.270 nan 0.000 0.485 919 T N -0.522 114.133 114.554 0.168 0.000 2.904 919 T HA 0.651 4.999 4.350 -0.003 0.000 0.290 919 T C 0.072 174.944 174.700 0.286 0.000 1.018 919 T CA -0.328 61.886 62.100 0.190 0.000 1.075 919 T CB 0.481 69.401 68.868 0.087 0.000 0.986 919 T HN 0.540 nan 8.240 nan 0.000 0.523 920 F N -1.575 118.405 119.950 0.050 0.000 2.773 920 F HA 0.797 5.322 4.527 -0.003 0.000 0.314 920 F C -0.578 175.244 175.800 0.037 0.000 1.160 920 F CA -1.035 56.988 58.000 0.039 0.000 0.920 920 F CB 1.034 40.059 39.000 0.042 0.000 1.323 920 F HN 0.973 nan 8.300 nan 0.000 0.457 921 G N 1.032 109.744 108.800 -0.147 0.000 2.694 921 G HA2 0.631 4.590 3.960 -0.003 0.000 0.290 921 G HA3 0.631 4.590 3.960 -0.003 0.000 0.290 921 G C -2.077 172.837 174.900 0.024 0.000 1.386 921 G CA -1.229 43.679 45.100 -0.320 0.000 0.872 921 G HN 0.841 nan 8.290 nan 0.000 0.475 922 L N 0.164 121.388 121.223 0.001 0.000 2.379 922 L HA 0.745 5.083 4.340 -0.003 0.000 0.269 922 L C 0.526 177.351 176.870 -0.074 0.000 1.084 922 L CA -0.634 54.216 54.840 0.017 0.000 0.802 922 L CB 1.585 43.623 42.059 -0.036 0.000 1.175 922 L HN 0.727 nan 8.230 nan 0.000 0.448 923 A N 2.702 125.461 122.820 -0.102 0.000 2.572 923 A HA 0.704 5.022 4.320 -0.003 0.000 0.295 923 A C -1.251 176.212 177.584 -0.202 0.000 1.072 923 A CA -0.555 51.354 52.037 -0.212 0.000 0.691 923 A CB 1.455 20.378 19.000 -0.128 0.000 1.291 923 A HN 0.614 nan 8.150 nan 0.000 0.404 924 L N 2.926 123.945 121.223 -0.341 0.000 2.272 924 L HA 0.423 4.761 4.340 -0.003 0.000 0.284 924 L C -0.844 176.000 176.870 -0.044 0.000 1.045 924 L CA -0.291 54.449 54.840 -0.168 0.000 0.842 924 L CB 0.503 42.451 42.059 -0.185 0.000 1.224 924 L HN 0.481 nan 8.230 nan 0.000 0.430 925 I N 2.704 123.269 120.570 -0.008 0.000 2.530 925 I HA 0.236 4.405 4.170 -0.003 0.000 0.297 925 I C 1.186 177.270 176.117 -0.055 0.000 1.011 925 I CA -0.623 60.673 61.300 -0.006 0.000 1.107 925 I CB 1.922 39.918 38.000 -0.007 0.000 1.285 925 I HN 0.573 nan 8.210 nan 0.000 0.436 926 K N 2.524 122.894 120.400 -0.049 0.000 2.089 926 K HA -0.220 4.098 4.320 -0.003 0.000 0.210 926 K C 0.630 177.075 176.600 -0.258 0.000 1.048 926 K CA 1.862 58.091 56.287 -0.096 0.000 0.926 926 K CB 0.054 32.529 32.500 -0.042 0.000 0.714 926 K HN 0.469 nan 8.250 nan 0.000 0.448 927 N N -0.936 117.602 118.700 -0.270 0.000 2.588 927 N HA 0.102 4.841 4.740 -0.003 0.000 0.298 927 N C 0.513 175.868 175.510 -0.259 0.000 1.718 927 N CA 0.053 52.853 53.050 -0.416 0.000 0.888 927 N CB 0.692 39.083 38.487 -0.161 0.000 1.389 927 N HN 0.092 nan 8.380 nan 0.000 0.491 928 G N 0.430 109.095 108.800 -0.225 0.000 2.442 928 G HA2 -0.260 3.698 3.960 -0.003 0.000 0.219 928 G HA3 -0.260 3.698 3.960 -0.003 0.000 0.219 928 G C 1.522 176.507 174.900 0.143 0.000 1.141 928 G CA 0.490 45.608 45.100 0.030 0.000 0.763 928 G HN 0.370 nan 8.290 nan 0.000 0.554 929 R N 0.105 120.820 120.500 0.358 0.000 2.152 929 R HA -0.020 4.319 4.340 -0.003 0.000 0.232 929 R C 1.089 177.469 176.300 0.134 0.000 1.117 929 R CA 1.032 57.263 56.100 0.219 0.000 0.981 929 R CB -0.044 30.352 30.300 0.161 0.000 0.870 929 R HN 0.273 nan 8.270 nan 0.000 0.451 930 N N 0.225 119.005 118.700 0.133 0.000 2.251 930 N HA 0.059 4.797 4.740 -0.003 0.000 0.217 930 N C 0.236 175.772 175.510 0.043 0.000 1.124 930 N CA 0.269 53.364 53.050 0.074 0.000 0.843 930 N CB 0.808 39.339 38.487 0.074 0.000 1.024 930 N HN 0.141 nan 8.380 nan 0.000 0.501 931 R N 0.219 120.743 120.500 0.040 0.000 2.600 931 R HA 0.304 4.642 4.340 -0.003 0.000 0.392 931 R C -0.010 176.304 176.300 0.024 0.000 1.032 931 R CA -0.360 55.754 56.100 0.024 0.000 1.139 931 R CB 0.923 31.230 30.300 0.012 0.000 1.400 931 R HN 0.013 nan 8.270 nan 0.000 0.566 932 I N 1.126 121.713 120.570 0.028 0.000 2.826 932 I HA -0.071 4.097 4.170 -0.003 0.000 0.295 932 I C 1.427 177.553 176.117 0.015 0.000 1.213 932 I CA 1.537 62.850 61.300 0.021 0.000 1.436 932 I CB -0.140 37.871 38.000 0.019 0.000 1.348 932 I HN 0.605 nan 8.210 nan 0.000 0.570 933 G N 4.719 113.528 108.800 0.014 0.000 2.234 933 G HA2 -0.253 3.706 3.960 -0.003 0.000 0.235 933 G HA3 -0.253 3.706 3.960 -0.003 0.000 0.235 933 G C 0.326 175.234 174.900 0.013 0.000 0.997 933 G CA 0.164 45.271 45.100 0.012 0.000 0.623 933 G HN 0.695 nan 8.290 nan 0.000 0.514 934 E N 0.670 120.878 120.200 0.014 0.000 2.414 934 E HA 0.390 4.738 4.350 -0.003 0.000 0.263 934 E C 0.095 176.704 176.600 0.015 0.000 1.000 934 E CA -0.272 56.136 56.400 0.014 0.000 0.914 934 E CB 0.726 30.434 29.700 0.013 0.000 0.948 934 E HN 0.130 nan 8.360 nan 0.000 0.444 935 V N 6.681 126.603 119.914 0.014 0.000 2.385 935 V HA 0.215 4.333 4.120 -0.003 0.000 0.269 935 V C 0.265 176.368 176.094 0.016 0.000 1.043 935 V CA -0.235 62.074 62.300 0.015 0.000 0.906 935 V CB 0.645 32.476 31.823 0.014 0.000 0.995 935 V HN 0.580 nan 8.190 nan 0.000 0.467 936 L N 5.504 126.738 121.223 0.018 0.000 2.332 936 L HA 0.687 5.025 4.340 -0.003 0.000 0.269 936 L C 0.075 176.957 176.870 0.021 0.000 1.016 936 L CA -0.907 53.945 54.840 0.020 0.000 0.809 936 L CB 1.589 43.661 42.059 0.023 0.000 1.280 936 L HN 0.436 nan 8.230 nan 0.000 0.447 937 K N 0.708 121.121 120.400 0.022 0.000 2.267 937 K HA 0.737 5.055 4.320 -0.003 0.000 0.246 937 K C -1.172 175.443 176.600 0.026 0.000 0.954 937 K CA -0.669 55.631 56.287 0.021 0.000 0.824 937 K CB 2.353 34.864 32.500 0.019 0.000 1.167 937 K HN 0.600 nan 8.250 nan 0.000 0.431 938 T N 0.984 115.553 114.554 0.024 0.000 2.923 938 T HA 0.361 4.709 4.350 -0.003 0.000 0.311 938 T C -2.902 171.811 174.700 0.022 0.000 1.183 938 T CA -1.601 60.516 62.100 0.028 0.000 1.020 938 T CB 2.107 70.992 68.868 0.029 0.000 1.165 938 T HN 0.348 nan 8.240 nan 0.000 0.482 939 P HA 0.488 nan 4.420 nan 0.000 0.282 939 P C -1.085 176.225 177.300 0.015 0.000 1.262 939 P CA -0.381 62.729 63.100 0.017 0.000 0.773 939 P CB 0.891 32.602 31.700 0.017 0.000 0.879 940 V N 3.247 123.169 119.914 0.012 0.000 2.789 940 V HA 0.169 4.287 4.120 -0.003 0.000 0.311 940 V C -0.131 175.968 176.094 0.008 0.000 1.073 940 V CA -0.632 61.675 62.300 0.010 0.000 0.921 940 V CB 1.596 33.424 31.823 0.009 0.000 1.009 940 V HN 0.549 nan 8.190 nan 0.000 0.426 941 D N 3.768 124.172 120.400 0.007 0.000 2.745 941 D HA -0.202 4.436 4.640 -0.003 0.000 0.225 941 D C 1.328 177.632 176.300 0.006 0.000 1.212 941 D CA 1.758 55.762 54.000 0.006 0.000 0.632 941 D CB -0.995 39.808 40.800 0.005 0.000 0.994 941 D HN 1.483 nan 8.370 nan 0.000 0.407 942 G N -0.610 108.194 108.800 0.007 0.000 2.199 942 G HA2 -0.345 3.613 3.960 -0.003 0.000 0.254 942 G HA3 -0.345 3.613 3.960 -0.003 0.000 0.254 942 G C 0.230 175.134 174.900 0.007 0.000 0.982 942 G CA 0.543 45.647 45.100 0.007 0.000 0.632 942 G HN 0.546 nan 8.290 nan 0.000 0.529 943 Q N -0.834 118.970 119.800 0.008 0.000 2.397 943 Q HA 0.681 5.019 4.340 -0.003 0.000 0.275 943 Q C -0.107 175.900 176.000 0.010 0.000 1.090 943 Q CA -0.947 54.861 55.803 0.008 0.000 0.809 943 Q CB 2.034 30.776 28.738 0.007 0.000 1.362 943 Q HN 0.249 nan 8.270 nan 0.000 0.431 944 L N 2.291 123.520 121.223 0.011 0.000 2.433 944 L HA 0.234 4.573 4.340 -0.003 0.000 0.275 944 L C -0.658 176.220 176.870 0.012 0.000 1.128 944 L CA -0.236 54.611 54.840 0.013 0.000 0.875 944 L CB 0.245 42.312 42.059 0.013 0.000 1.171 944 L HN 0.283 nan 8.230 nan 0.000 0.463 945 V N 2.377 122.299 119.914 0.014 0.000 2.667 945 V HA 0.308 4.426 4.120 -0.003 0.000 0.308 945 V C -0.357 175.747 176.094 0.015 0.000 1.048 945 V CA -0.948 61.360 62.300 0.013 0.000 0.928 945 V CB 2.209 34.040 31.823 0.012 0.000 1.004 945 V HN 0.552 nan 8.190 nan 0.000 0.444 946 D N 2.411 122.820 120.400 0.015 0.000 2.304 946 D HA 0.458 5.096 4.640 -0.003 0.000 0.250 946 D C -0.211 176.101 176.300 0.020 0.000 1.107 946 D CA 0.169 54.179 54.000 0.017 0.000 0.885 946 D CB 1.740 42.549 40.800 0.015 0.000 1.192 946 D HN 0.500 nan 8.370 nan 0.000 0.436 947 V N 0.024 119.951 119.914 0.021 0.000 2.735 947 V HA 0.519 4.638 4.120 -0.003 0.000 0.310 947 V C -0.682 175.428 176.094 0.026 0.000 1.061 947 V CA -0.990 61.325 62.300 0.025 0.000 0.913 947 V CB 2.001 33.839 31.823 0.026 0.000 1.005 947 V HN 0.445 nan 8.190 nan 0.000 0.428 948 Q N 2.768 122.585 119.800 0.029 0.000 2.271 948 Q HA 0.637 4.975 4.340 -0.003 0.000 0.258 948 Q C -0.377 175.641 176.000 0.030 0.000 0.936 948 Q CA -0.748 55.071 55.803 0.027 0.000 0.909 948 Q CB 2.009 30.762 28.738 0.024 0.000 1.253 948 Q HN 1.375 nan 8.270 nan 0.000 0.440 949 V N 1.774 121.704 119.914 0.026 0.000 2.637 949 V HA 0.602 4.720 4.120 -0.003 0.000 0.296 949 V C -0.466 175.644 176.094 0.027 0.000 1.046 949 V CA 0.211 62.528 62.300 0.028 0.000 1.066 949 V CB 1.247 33.085 31.823 0.024 0.000 0.968 949 V HN 0.740 nan 8.190 nan 0.000 0.483 950 S N 2.142 117.860 115.700 0.030 0.000 2.656 950 S HA 0.387 4.856 4.470 -0.003 0.000 0.273 950 S C -1.078 173.533 174.600 0.018 0.000 1.168 950 S CA -0.778 57.435 58.200 0.021 0.000 0.817 950 S CB 1.708 64.920 63.200 0.021 0.000 1.146 950 S HN 0.997 nan 8.310 nan 0.000 0.475 951 D N 1.926 122.325 120.400 -0.001 0.000 2.472 951 D HA 0.035 4.673 4.640 -0.003 0.000 0.237 951 D C 1.223 177.516 176.300 -0.012 0.000 1.141 951 D CA -0.084 53.910 54.000 -0.010 0.000 0.875 951 D CB 0.774 41.554 40.800 -0.033 0.000 1.192 951 D HN 0.365 nan 8.370 nan 0.000 0.450 952 L N 3.219 124.440 121.223 -0.004 0.000 2.012 952 L HA -0.143 4.195 4.340 -0.003 0.000 0.210 952 L C 0.590 177.427 176.870 -0.055 0.000 1.073 952 L CA 1.598 56.435 54.840 -0.006 0.000 0.748 952 L CB 0.126 42.194 42.059 0.015 0.000 0.891 952 L HN 0.218 nan 8.230 nan 0.000 0.431 953 V N 1.742 121.610 119.914 -0.077 0.000 2.320 953 V HA 0.080 4.199 4.120 -0.003 0.000 0.265 953 V C 1.168 177.176 176.094 -0.144 0.000 1.048 953 V CA -0.253 61.965 62.300 -0.137 0.000 0.865 953 V CB 1.116 32.855 31.823 -0.141 0.000 1.043 953 V HN 0.284 nan 8.190 nan 0.000 0.474 954 L N 4.005 125.120 121.223 -0.180 0.000 2.298 954 L HA 0.353 4.691 4.340 -0.003 0.000 0.209 954 L C 0.376 177.169 176.870 -0.128 0.000 1.084 954 L CA 1.337 56.067 54.840 -0.183 0.000 0.816 954 L CB 0.132 41.995 42.059 -0.327 0.000 0.967 954 L HN 0.566 nan 8.230 nan 0.000 0.460 955 F N 1.025 120.791 119.950 -0.307 0.000 2.449 955 F HA 0.285 4.811 4.527 -0.003 0.000 0.342 955 F C 0.252 175.911 175.800 -0.235 0.000 1.127 955 F CA -1.220 56.616 58.000 -0.273 0.000 0.975 955 F CB 0.469 39.286 39.000 -0.306 0.000 1.146 955 F HN 0.099 nan 8.300 nan 0.000 0.444 956 D N 5.969 125.775 120.400 -0.990 0.000 2.735 956 D HA -0.169 4.469 4.640 -0.003 0.000 0.235 956 D C -1.970 174.076 176.300 -0.424 0.000 1.175 956 D CA 0.464 53.993 54.000 -0.786 0.000 0.683 956 D CB -0.116 40.094 40.800 -0.983 0.000 1.008 956 D HN 0.354 nan 8.370 nan 0.000 0.416 957 P HA -0.153 nan 4.420 nan 0.000 0.218 957 P C 1.151 178.325 177.300 -0.211 0.000 1.148 957 P CA 0.990 63.953 63.100 -0.227 0.000 0.822 957 P CB 0.178 31.770 31.700 -0.179 0.000 0.784 958 E N -1.051 119.019 120.200 -0.216 0.000 2.338 958 E HA 0.018 4.366 4.350 -0.003 0.000 0.197 958 E C 1.596 178.074 176.600 -0.203 0.000 1.007 958 E CA 1.054 57.341 56.400 -0.188 0.000 0.849 958 E CB -1.118 28.480 29.700 -0.170 0.000 0.774 958 E HN 0.291 nan 8.360 nan 0.000 0.506 959 G N 1.502 110.160 108.800 -0.237 0.000 2.160 959 G HA2 -0.344 3.614 3.960 -0.003 0.000 0.244 959 G HA3 -0.344 3.614 3.960 -0.003 0.000 0.244 959 G C 1.114 175.874 174.900 -0.233 0.000 1.022 959 G CA 0.974 45.928 45.100 -0.243 0.000 0.741 959 G HN 0.412 nan 8.290 nan 0.000 0.508 960 S N -0.326 115.238 115.700 -0.227 0.000 2.400 960 S HA -0.109 4.359 4.470 -0.003 0.000 0.232 960 S C 1.998 176.493 174.600 -0.174 0.000 1.025 960 S CA 1.504 59.590 58.200 -0.190 0.000 0.993 960 S CB -0.223 62.866 63.200 -0.185 0.000 0.808 960 S HN 0.654 nan 8.310 nan 0.000 0.478 961 R N 0.583 120.970 120.500 -0.189 0.000 2.313 961 R HA 0.246 4.584 4.340 -0.003 0.000 0.199 961 R C 2.407 178.627 176.300 -0.133 0.000 0.958 961 R CA 0.155 56.174 56.100 -0.136 0.000 1.047 961 R CB -0.237 30.005 30.300 -0.097 0.000 0.955 961 R HN 0.477 nan 8.270 nan 0.000 0.481 962 R N 1.063 121.446 120.500 -0.196 0.000 2.127 962 R HA -0.105 4.234 4.340 -0.003 0.000 0.238 962 R C -0.085 176.090 176.300 -0.208 0.000 1.134 962 R CA 1.424 57.361 56.100 -0.273 0.000 0.975 962 R CB 0.181 30.201 30.300 -0.467 0.000 0.865 962 R HN 0.129 nan 8.270 nan 0.000 0.447 963 D N 0.000 120.312 120.400 -0.146 0.000 6.856 963 D HA 0.000 4.638 4.640 -0.003 0.000 0.175 963 D CA 0.000 53.948 54.000 -0.086 0.000 0.868 963 D CB 0.000 40.759 40.800 -0.069 0.000 0.688 963 D HN 0.000 nan 8.370 nan 0.000 0.683