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 2q9o_1_A DATA FIRST_RESID 1 DATA SEQUENCE EPTcNTPSNR AcWSDGFDIN TDYEVSTPDT GVTQSYVFNL TEVDNWMGPD DATA SEQUENCE GVVKEKVMLI NGNIMGPNIV ANWGDTVEVT VINNLVTNGT SIHWHGIXQK DATA SEQUENCE DTNLHDGANG VTEcPIPPKG GQRTYRWRAR QYGTSWYHSH FSAQYGNGVV DATA SEQUENCE GTIQINGPAS LPYDIDLGVF PITDYYYRAA DDLVHFTQNN APPFSDNVLI DATA SEQUENCE NGTAVNPNTG EGQYANVTLT PGKRHRLRIL NTSTENHFQV SLVNHTMTVI DATA SEQUENCE AADMVPVNAM TVDSLFLAVG QRYDVVIDAS RAPDNYWFNV TFGGQAAcGG DATA SEQUENCE SLNPHPAAIF HYAGAPGGLP TDEGTPPVDH QcLDTLDVRP VVPRSVPVNS DATA SEQUENCE FVKRPDNTLP VALDLTGTPL FVWKVNGSDI NVDWGKPIID YILTGNTSYP DATA SEQUENCE VSDNIVQVDA VDQWTYWLIE NDPEGPFSLP HPMHLHGHDF LVLGRSPDVP DATA SEQUENCE AASQQRFVFD PAVDLARLNG DNPPRRDTTM LPAGGWLLLA FRTDNPGAWL DATA SEQUENCE FHCHIAWHVS GGLSVDFLER PADLRQRISQ EDEDDFNRVc DEWRAYWPTN DATA SEQUENCE PYPKIDSGL 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 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.385 176.600 -0.358 0.000 1.382 1 E CA 0.000 56.345 56.400 -0.092 0.000 0.976 1 E CB 0.000 29.643 29.700 -0.096 0.000 0.812 2 P HA 0.230 nan 4.420 nan 0.000 0.276 2 P C 0.047 176.977 177.300 -0.615 0.000 1.244 2 P CA -0.262 62.065 63.100 -1.288 0.000 0.801 2 P CB 1.447 32.097 31.700 -1.751 0.000 1.006 3 T N -3.650 110.621 114.554 -0.471 0.000 3.016 3 T HA 0.111 4.460 4.350 -0.001 0.000 0.271 3 T C 0.896 175.482 174.700 -0.191 0.000 0.968 3 T CA 0.184 62.131 62.100 -0.255 0.000 0.891 3 T CB -0.949 67.819 68.868 -0.168 0.000 1.149 3 T HN 0.590 nan 8.240 nan 0.000 0.524 4 c N 0.401 118.883 118.600 -0.197 0.000 3.489 4 c HA 0.493 5.062 4.570 -0.001 0.000 0.264 4 c C 0.232 174.277 174.090 -0.073 0.000 2.026 4 c CA -1.439 54.830 56.329 -0.101 0.000 1.705 4 c CB -1.777 40.708 42.510 -0.043 0.000 3.389 4 c HN 0.489 nan 8.230 nan 0.000 0.459 5 N N 2.999 121.624 118.700 -0.126 0.000 2.406 5 N HA 0.388 5.127 4.740 -0.001 0.000 0.251 5 N C -0.286 175.187 175.510 -0.062 0.000 1.069 5 N CA 0.832 53.861 53.050 -0.035 0.000 0.947 5 N CB 1.155 39.649 38.487 0.011 0.000 1.111 5 N HN 0.768 nan 8.380 nan 0.000 0.497 6 T N 1.019 115.536 114.554 -0.062 0.000 2.916 6 T HA 0.425 4.775 4.350 -0.001 0.000 0.292 6 T C -2.128 172.493 174.700 -0.132 0.000 1.064 6 T CA -1.666 60.383 62.100 -0.085 0.000 1.011 6 T CB 1.959 70.788 68.868 -0.065 0.000 1.152 6 T HN 0.083 nan 8.240 nan 0.000 0.510 7 P HA -0.136 nan 4.420 nan 0.000 0.216 7 P C 1.540 178.752 177.300 -0.146 0.000 1.154 7 P CA 1.578 64.568 63.100 -0.184 0.000 0.865 7 P CB -0.057 31.574 31.700 -0.115 0.000 0.789 8 S N -3.636 112.012 115.700 -0.087 0.000 2.548 8 S HA 0.096 4.566 4.470 -0.001 0.000 0.215 8 S C 0.864 175.439 174.600 -0.042 0.000 0.976 8 S CA 0.007 58.174 58.200 -0.055 0.000 0.908 8 S CB -0.561 62.619 63.200 -0.034 0.000 0.781 8 S HN -0.000 nan 8.310 nan 0.000 0.519 9 N N 1.082 119.751 118.700 -0.052 0.000 2.750 9 N HA 0.313 5.053 4.740 -0.001 0.000 0.253 9 N C 0.216 175.712 175.510 -0.022 0.000 1.408 9 N CA -0.367 52.671 53.050 -0.021 0.000 0.780 9 N CB 0.594 39.078 38.487 -0.005 0.000 1.191 9 N HN -0.020 nan 8.380 nan 0.000 0.511 10 R N 0.601 121.077 120.500 -0.041 0.000 2.275 10 R HA 0.200 4.539 4.340 -0.001 0.000 0.199 10 R C 1.354 177.700 176.300 0.076 0.000 0.989 10 R CA 0.485 56.571 56.100 -0.024 0.000 1.016 10 R CB -0.114 30.112 30.300 -0.123 0.000 0.918 10 R HN 0.467 nan 8.270 nan 0.000 0.473 11 A N 0.555 123.421 122.820 0.077 0.000 1.969 11 A HA -0.088 4.232 4.320 -0.001 0.000 0.218 11 A C 1.254 178.928 177.584 0.148 0.000 1.169 11 A CA 0.493 52.592 52.037 0.104 0.000 0.635 11 A CB -0.248 18.805 19.000 0.089 0.000 0.810 11 A HN 0.334 nan 8.150 nan 0.000 0.445 12 c N -1.274 117.414 118.600 0.147 0.000 2.539 12 c HA 0.432 5.002 4.570 -0.001 0.000 0.392 12 c C 1.105 175.385 174.090 0.318 0.000 1.269 12 c CA -0.507 55.934 56.329 0.186 0.000 2.250 12 c CB 0.082 42.651 42.510 0.099 0.000 2.584 12 c HN 0.695 nan 8.230 nan 0.000 0.589 13 W N 2.332 123.694 121.300 0.103 0.000 4.366 13 W HA 0.277 4.936 4.660 -0.000 0.000 0.201 13 W C 0.413 176.987 176.519 0.092 0.000 0.994 13 W CA 0.631 58.046 57.345 0.116 0.000 2.324 13 W CB -0.436 29.169 29.460 0.241 0.000 1.011 13 W HN 0.778 nan 8.180 nan 0.000 0.846 14 S N 0.149 115.962 115.700 0.189 0.000 2.752 14 S HA 0.217 4.687 4.470 -0.001 0.000 0.284 14 S C -1.338 173.359 174.600 0.162 0.000 1.189 14 S CA -0.677 57.547 58.200 0.041 0.000 0.835 14 S CB 1.959 65.131 63.200 -0.047 0.000 1.192 14 S HN 0.043 nan 8.310 nan 0.000 0.506 15 D N 0.121 120.583 120.400 0.104 0.000 2.401 15 D HA 0.450 5.089 4.640 -0.001 0.000 0.254 15 D C 1.457 177.804 176.300 0.079 0.000 1.192 15 D CA 1.919 55.965 54.000 0.076 0.000 0.885 15 D CB -0.115 40.707 40.800 0.036 0.000 1.147 15 D HN 1.443 nan 8.370 nan 0.000 0.478 16 G N 2.705 111.467 108.800 -0.064 0.000 2.175 16 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.244 16 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.244 16 G C 0.054 174.500 174.900 -0.757 0.000 0.982 16 G CA 0.036 44.907 45.100 -0.383 0.000 0.641 16 G HN 0.428 nan 8.290 nan 0.000 0.527 17 F N 1.718 121.721 119.950 0.089 0.000 2.579 17 F HA 0.585 5.111 4.527 -0.001 0.000 0.325 17 F C -0.090 175.918 175.800 0.347 0.000 1.162 17 F CA -0.449 57.644 58.000 0.155 0.000 0.946 17 F CB 2.036 40.995 39.000 -0.070 0.000 1.211 17 F HN 0.288 nan 8.300 nan 0.000 0.447 18 D N 1.160 121.871 120.400 0.517 0.000 2.825 18 D HA 0.253 4.892 4.640 -0.001 0.000 0.327 18 D C 0.379 176.878 176.300 0.331 0.000 1.277 18 D CA -0.641 53.600 54.000 0.401 0.000 0.950 18 D CB 0.475 41.423 40.800 0.247 0.000 1.438 18 D HN 0.231 nan 8.370 nan 0.000 0.526 19 I N -0.034 120.660 120.570 0.206 0.000 2.756 19 I HA -0.034 4.135 4.170 -0.001 0.000 0.262 19 I C 0.667 176.920 176.117 0.227 0.000 1.225 19 I CA 1.089 62.499 61.300 0.184 0.000 1.472 19 I CB -0.520 37.564 38.000 0.140 0.000 1.094 19 I HN 0.288 nan 8.210 nan 0.000 0.454 20 N N -0.448 118.377 118.700 0.207 0.000 2.299 20 N HA 0.067 4.806 4.740 -0.001 0.000 0.187 20 N C 0.335 175.963 175.510 0.197 0.000 1.099 20 N CA 0.203 53.359 53.050 0.176 0.000 0.867 20 N CB -0.046 38.515 38.487 0.123 0.000 0.974 20 N HN 0.252 nan 8.380 nan 0.000 0.477 21 T N 1.707 116.428 114.554 0.279 0.000 2.934 21 T HA -0.081 4.269 4.350 -0.001 0.000 0.306 21 T C 0.229 175.110 174.700 0.302 0.000 1.042 21 T CA 0.219 62.504 62.100 0.307 0.000 1.145 21 T CB 0.800 69.981 68.868 0.522 0.000 0.982 21 T HN 0.017 nan 8.240 nan 0.000 0.544 22 D N 2.553 123.053 120.400 0.165 0.000 2.416 22 D HA 0.022 4.662 4.640 -0.001 0.000 0.240 22 D C 1.050 177.389 176.300 0.064 0.000 1.250 22 D CA -0.597 53.408 54.000 0.009 0.000 0.967 22 D CB 0.026 40.811 40.800 -0.026 0.000 1.059 22 D HN 0.677 nan 8.370 nan 0.000 0.512 23 Y N 1.526 121.990 120.300 0.272 0.000 2.574 23 Y HA 0.046 4.595 4.550 -0.001 0.000 0.294 23 Y C 1.494 177.535 175.900 0.234 0.000 1.142 23 Y CA 0.455 58.784 58.100 0.381 0.000 1.314 23 Y CB -0.418 38.166 38.460 0.206 0.000 0.991 23 Y HN 0.283 nan 8.280 nan 0.000 0.555 24 E N 0.576 120.637 120.200 -0.232 0.000 2.358 24 E HA -0.049 4.300 4.350 -0.001 0.000 0.195 24 E C 1.628 178.245 176.600 0.028 0.000 1.010 24 E CA 1.321 57.681 56.400 -0.067 0.000 0.856 24 E CB 0.158 29.740 29.700 -0.197 0.000 0.795 24 E HN 0.618 nan 8.360 nan 0.000 0.504 25 V N -3.696 116.250 119.914 0.053 0.000 3.548 25 V HA 0.258 4.378 4.120 -0.001 0.000 0.279 25 V C 0.384 176.556 176.094 0.130 0.000 1.446 25 V CA -0.452 61.891 62.300 0.071 0.000 1.023 25 V CB 1.348 33.191 31.823 0.033 0.000 0.820 25 V HN -0.039 nan 8.190 nan 0.000 0.438 26 S N 0.605 116.435 115.700 0.217 0.000 2.561 26 S HA 0.751 5.220 4.470 -0.001 0.000 0.303 26 S C -0.508 174.340 174.600 0.413 0.000 1.110 26 S CA -0.028 58.341 58.200 0.282 0.000 1.034 26 S CB 1.726 65.066 63.200 0.233 0.000 1.010 26 S HN 0.542 nan 8.310 nan 0.000 0.482 27 T N 6.143 120.859 114.554 0.269 0.000 2.881 27 T HA 0.534 4.884 4.350 -0.001 0.000 0.290 27 T C -2.894 171.541 174.700 -0.442 0.000 1.000 27 T CA -1.120 60.960 62.100 -0.032 0.000 0.978 27 T CB 1.696 70.588 68.868 0.041 0.000 0.997 27 T HN 0.364 nan 8.240 nan 0.000 0.443 28 P HA 0.162 nan 4.420 nan 0.000 0.268 28 P C -0.636 176.376 177.300 -0.480 0.000 1.204 28 P CA -0.248 62.100 63.100 -1.253 0.000 0.768 28 P CB 0.381 31.293 31.700 -1.313 0.000 0.842 29 D N 1.884 122.118 120.400 -0.277 0.000 2.468 29 D HA 0.056 4.696 4.640 -0.001 0.000 0.218 29 D C 1.046 177.272 176.300 -0.124 0.000 1.155 29 D CA -0.102 53.816 54.000 -0.137 0.000 0.924 29 D CB 0.009 40.775 40.800 -0.057 0.000 1.029 29 D HN 0.267 nan 8.370 nan 0.000 0.515 30 T N 0.066 114.547 114.554 -0.122 0.000 3.054 30 T HA 0.189 4.538 4.350 -0.001 0.000 0.259 30 T C 1.724 176.387 174.700 -0.063 0.000 1.092 30 T CA 0.613 62.661 62.100 -0.088 0.000 1.121 30 T CB -0.079 68.750 68.868 -0.066 0.000 0.912 30 T HN 0.470 nan 8.240 nan 0.000 0.489 31 G N 0.727 109.490 108.800 -0.061 0.000 2.189 31 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.267 31 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.267 31 G C 0.105 174.971 174.900 -0.056 0.000 0.975 31 G CA 0.230 45.298 45.100 -0.053 0.000 0.644 31 G HN 0.749 nan 8.290 nan 0.000 0.537 32 V N 0.800 120.679 119.914 -0.057 0.000 2.539 32 V HA 0.712 4.831 4.120 -0.001 0.000 0.292 32 V C 0.501 176.548 176.094 -0.079 0.000 1.045 32 V CA 0.077 62.341 62.300 -0.059 0.000 0.945 32 V CB 1.867 33.664 31.823 -0.043 0.000 0.993 32 V HN 0.258 nan 8.190 nan 0.000 0.464 33 T N 4.215 118.712 114.554 -0.094 0.000 2.824 33 T HA 0.418 4.767 4.350 -0.001 0.000 0.282 33 T C -0.733 173.884 174.700 -0.139 0.000 0.993 33 T CA -0.562 61.460 62.100 -0.130 0.000 0.967 33 T CB 1.387 70.174 68.868 -0.135 0.000 0.960 33 T HN 0.512 nan 8.240 nan 0.000 0.441 34 Q N 2.161 121.864 119.800 -0.163 0.000 2.347 34 Q HA 0.560 4.900 4.340 -0.001 0.000 0.262 34 Q C -0.664 175.182 176.000 -0.256 0.000 0.980 34 Q CA -0.348 55.346 55.803 -0.182 0.000 0.867 34 Q CB 1.908 30.604 28.738 -0.070 0.000 1.242 34 Q HN 0.627 nan 8.270 nan 0.000 0.453 35 S N 2.297 117.770 115.700 -0.377 0.000 2.568 35 S HA 0.782 5.251 4.470 -0.001 0.000 0.302 35 S C -1.032 173.217 174.600 -0.586 0.000 1.082 35 S CA -0.507 57.496 58.200 -0.329 0.000 1.009 35 S CB 0.999 64.070 63.200 -0.216 0.000 1.069 35 S HN 0.396 nan 8.310 nan 0.000 0.500 36 Y N -0.346 119.881 120.300 -0.122 0.000 2.562 36 Y HA 0.599 5.149 4.550 -0.000 0.000 0.345 36 Y C -0.673 175.195 175.900 -0.054 0.000 1.045 36 Y CA -1.010 57.066 58.100 -0.040 0.000 1.028 36 Y CB 1.607 40.064 38.460 -0.005 0.000 1.297 36 Y HN 0.356 nan 8.280 nan 0.000 0.463 37 V N 3.233 123.294 119.914 0.246 0.000 2.483 37 V HA 0.404 4.523 4.120 -0.001 0.000 0.297 37 V C -1.231 175.121 176.094 0.430 0.000 1.027 37 V CA -0.857 61.565 62.300 0.202 0.000 0.855 37 V CB 1.246 33.149 31.823 0.132 0.000 0.995 37 V HN 0.444 nan 8.190 nan 0.000 0.424 38 F N 3.586 123.612 119.950 0.127 0.000 2.388 38 F HA 0.477 5.003 4.527 -0.001 0.000 0.358 38 F C 0.410 176.261 175.800 0.085 0.000 1.122 38 F CA -1.561 56.503 58.000 0.108 0.000 1.056 38 F CB 1.260 40.321 39.000 0.100 0.000 1.155 38 F HN 0.474 nan 8.300 nan 0.000 0.461 39 N N 4.064 122.904 118.700 0.233 0.000 2.457 39 N HA 0.328 5.068 4.740 -0.001 0.000 0.250 39 N C -1.398 174.169 175.510 0.094 0.000 0.982 39 N CA -0.381 52.753 53.050 0.139 0.000 0.941 39 N CB 0.732 39.282 38.487 0.105 0.000 1.120 39 N HN 0.344 nan 8.380 nan 0.000 0.505 40 L N 2.756 124.027 121.223 0.080 0.000 2.265 40 L HA 0.453 4.793 4.340 -0.001 0.000 0.288 40 L C 0.674 177.556 176.870 0.020 0.000 1.058 40 L CA -0.138 54.727 54.840 0.042 0.000 0.809 40 L CB 1.165 43.246 42.059 0.037 0.000 1.179 40 L HN 0.655 nan 8.230 nan 0.000 0.429 41 T N -0.496 114.061 114.554 0.005 0.000 2.916 41 T HA 0.622 4.972 4.350 -0.001 0.000 0.292 41 T C -0.574 174.120 174.700 -0.010 0.000 1.055 41 T CA -0.912 61.191 62.100 0.005 0.000 1.009 41 T CB 1.858 70.736 68.868 0.016 0.000 1.118 41 T HN 0.485 nan 8.240 nan 0.000 0.497 42 E N 1.094 121.298 120.200 0.006 0.000 2.133 42 E HA 0.565 4.915 4.350 -0.001 0.000 0.274 42 E C -1.449 175.164 176.600 0.021 0.000 0.930 42 E CA -0.848 55.557 56.400 0.009 0.000 0.770 42 E CB 1.124 30.843 29.700 0.032 0.000 1.104 42 E HN 0.544 nan 8.360 nan 0.000 0.403 43 V N 4.909 124.827 119.914 0.006 0.000 2.444 43 V HA 0.277 4.397 4.120 -0.001 0.000 0.294 43 V C -0.497 175.651 176.094 0.090 0.000 1.022 43 V CA -0.986 61.345 62.300 0.052 0.000 0.850 43 V CB 1.715 33.562 31.823 0.040 0.000 0.992 43 V HN 0.728 nan 8.190 nan 0.000 0.426 44 D N 3.826 124.292 120.400 0.109 0.000 2.193 44 D HA 0.302 4.942 4.640 -0.001 0.000 0.249 44 D C 0.270 176.661 176.300 0.152 0.000 1.034 44 D CA -0.192 53.878 54.000 0.117 0.000 0.902 44 D CB 0.866 41.718 40.800 0.087 0.000 1.182 44 D HN 0.583 nan 8.370 nan 0.000 0.436 45 N N 0.908 119.699 118.700 0.151 0.000 2.696 45 N HA -0.239 4.501 4.740 -0.001 0.000 0.256 45 N C -0.999 174.622 175.510 0.185 0.000 1.031 45 N CA 0.364 53.495 53.050 0.134 0.000 0.730 45 N CB -1.252 37.283 38.487 0.080 0.000 0.894 45 N HN 0.542 nan 8.380 nan 0.000 0.544 46 W N 1.406 122.727 121.300 0.035 0.000 2.338 46 W HA 0.500 5.159 4.660 -0.001 0.000 0.307 46 W C 0.484 177.029 176.519 0.044 0.000 1.167 46 W CA -1.092 56.279 57.345 0.044 0.000 1.208 46 W CB 0.509 30.007 29.460 0.063 0.000 1.228 46 W HN 0.200 nan 8.180 nan 0.000 0.499 47 M N 7.356 126.647 119.600 -0.514 0.000 2.156 47 M HA 0.410 4.890 4.480 -0.001 0.000 0.345 47 M C 0.299 175.926 176.300 -1.122 0.000 1.398 47 M CA 0.291 55.244 55.300 -0.579 0.000 1.148 47 M CB 0.019 32.379 32.600 -0.401 0.000 1.663 47 M HN 0.479 nan 8.290 nan 0.000 0.464 48 G N 5.275 113.617 108.800 -0.764 0.000 2.588 48 G HA2 0.468 4.427 3.960 -0.001 0.000 0.281 48 G HA3 0.468 4.427 3.960 -0.001 0.000 0.281 48 G C -1.957 172.737 174.900 -0.343 0.000 1.236 48 G CA -1.075 43.609 45.100 -0.694 0.000 0.969 48 G HN 0.675 nan 8.290 nan 0.000 0.504 49 P HA -0.005 nan 4.420 nan 0.000 0.233 49 P C 0.385 177.619 177.300 -0.111 0.000 1.167 49 P CA 1.012 64.013 63.100 -0.165 0.000 0.770 49 P CB 0.272 31.875 31.700 -0.162 0.000 0.837 50 D N -1.621 118.761 120.400 -0.030 0.000 2.368 50 D HA 0.169 4.809 4.640 -0.001 0.000 0.218 50 D C 1.398 177.686 176.300 -0.019 0.000 1.112 50 D CA 0.060 54.063 54.000 0.005 0.000 0.834 50 D CB -0.466 40.400 40.800 0.110 0.000 0.953 50 D HN 0.204 nan 8.370 nan 0.000 0.505 51 G N -0.426 108.331 108.800 -0.071 0.000 2.268 51 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.240 51 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.240 51 G C 0.211 175.032 174.900 -0.133 0.000 1.010 51 G CA 0.111 45.147 45.100 -0.106 0.000 0.618 51 G HN 0.378 nan 8.290 nan 0.000 0.516 52 V N 1.856 121.679 119.914 -0.152 0.000 2.572 52 V HA 0.422 4.542 4.120 -0.001 0.000 0.291 52 V C 1.103 177.071 176.094 -0.210 0.000 1.039 52 V CA -0.294 61.829 62.300 -0.294 0.000 1.055 52 V CB 1.670 33.048 31.823 -0.743 0.000 0.969 52 V HN 0.302 nan 8.190 nan 0.000 0.482 53 V N 6.322 126.132 119.914 -0.174 0.000 2.461 53 V HA 0.236 4.356 4.120 -0.001 0.000 0.275 53 V C 0.432 176.517 176.094 -0.016 0.000 1.047 53 V CA -0.566 61.687 62.300 -0.078 0.000 0.955 53 V CB 0.927 32.714 31.823 -0.061 0.000 0.988 53 V HN 0.788 nan 8.190 nan 0.000 0.471 54 K N 3.385 123.869 120.400 0.141 0.000 2.172 54 K HA 0.234 4.553 4.320 -0.001 0.000 0.276 54 K C 1.159 177.861 176.600 0.170 0.000 1.013 54 K CA -0.373 56.030 56.287 0.193 0.000 0.913 54 K CB 1.732 34.448 32.500 0.361 0.000 1.055 54 K HN 0.787 nan 8.250 nan 0.000 0.461 55 E N 2.917 123.185 120.200 0.113 0.000 2.070 55 E HA -0.229 4.121 4.350 -0.001 0.000 0.197 55 E C -0.179 176.485 176.600 0.106 0.000 1.004 55 E CA 1.620 58.075 56.400 0.091 0.000 0.805 55 E CB 0.322 30.060 29.700 0.063 0.000 0.744 55 E HN 0.382 nan 8.360 nan 0.000 0.451 56 K N -0.330 120.136 120.400 0.110 0.000 2.557 56 K HA 0.300 4.620 4.320 -0.001 0.000 0.257 56 K C -1.377 175.256 176.600 0.056 0.000 0.933 56 K CA -0.529 55.809 56.287 0.085 0.000 0.820 56 K CB 2.099 34.637 32.500 0.064 0.000 1.330 56 K HN 0.045 nan 8.250 nan 0.000 0.432 57 V N 0.130 120.037 119.914 -0.013 0.000 3.102 57 V HA 0.705 4.824 4.120 -0.001 0.000 0.312 57 V C -0.941 175.076 176.094 -0.128 0.000 1.135 57 V CA -1.118 61.102 62.300 -0.134 0.000 1.022 57 V CB 2.090 33.656 31.823 -0.428 0.000 1.056 57 V HN 0.833 nan 8.190 nan 0.000 0.436 58 M N 3.126 122.647 119.600 -0.131 0.000 2.067 58 M HA 0.599 5.078 4.480 -0.001 0.000 0.286 58 M C -1.396 174.839 176.300 -0.108 0.000 0.922 58 M CA -0.102 55.151 55.300 -0.079 0.000 0.937 58 M CB 1.775 34.367 32.600 -0.014 0.000 1.550 58 M HN 0.540 nan 8.290 nan 0.000 0.433 59 L N 3.759 124.910 121.223 -0.120 0.000 2.334 59 L HA 0.688 5.028 4.340 -0.001 0.000 0.273 59 L C -0.558 176.271 176.870 -0.068 0.000 1.013 59 L CA -0.997 53.762 54.840 -0.134 0.000 0.816 59 L CB 2.409 44.356 42.059 -0.187 0.000 1.278 59 L HN 0.653 nan 8.230 nan 0.000 0.431 60 I N 3.032 123.555 120.570 -0.079 0.000 2.315 60 I HA 0.203 4.373 4.170 -0.001 0.000 0.291 60 I C -0.070 176.012 176.117 -0.058 0.000 1.006 60 I CA -0.295 60.953 61.300 -0.088 0.000 1.265 60 I CB 0.763 38.623 38.000 -0.233 0.000 1.387 60 I HN 0.676 nan 8.210 nan 0.000 0.475 61 N N 5.110 123.810 118.700 -0.001 0.000 2.725 61 N HA -0.202 4.538 4.740 -0.001 0.000 0.249 61 N C 0.889 176.420 175.510 0.034 0.000 1.103 61 N CA 1.317 54.388 53.050 0.035 0.000 0.707 61 N CB -1.262 37.255 38.487 0.050 0.000 1.043 61 N HN 1.130 nan 8.380 nan 0.000 0.553 62 G N -1.989 106.826 108.800 0.024 0.000 2.162 62 G HA2 -0.345 3.615 3.960 -0.001 0.000 0.260 62 G HA3 -0.345 3.615 3.960 -0.001 0.000 0.260 62 G C 0.022 174.968 174.900 0.077 0.000 0.976 62 G CA 0.548 45.679 45.100 0.051 0.000 0.655 62 G HN 0.577 nan 8.290 nan 0.000 0.533 63 N N -0.978 117.747 118.700 0.042 0.000 2.453 63 N HA 0.482 5.221 4.740 -0.001 0.000 0.290 63 N C 1.230 176.756 175.510 0.026 0.000 1.250 63 N CA -0.354 52.745 53.050 0.083 0.000 0.815 63 N CB 1.399 39.924 38.487 0.064 0.000 1.381 63 N HN -0.002 nan 8.380 nan 0.000 0.510 64 I N -0.096 120.536 120.570 0.103 0.000 2.361 64 I HA -0.081 4.089 4.170 -0.001 0.000 0.251 64 I C 0.172 176.270 176.117 -0.033 0.000 1.133 64 I CA 1.379 62.702 61.300 0.038 0.000 1.413 64 I CB 0.226 38.342 38.000 0.194 0.000 1.073 64 I HN 0.382 nan 8.210 nan 0.000 0.424 65 M N -1.125 118.459 119.600 -0.027 0.000 2.658 65 M HA 0.399 4.879 4.480 -0.001 0.000 0.295 65 M C 0.254 176.511 176.300 -0.072 0.000 1.248 65 M CA -0.595 54.667 55.300 -0.062 0.000 0.843 65 M CB 1.601 34.157 32.600 -0.073 0.000 1.749 65 M HN -0.052 nan 8.290 nan 0.000 0.464 66 G N 0.912 109.647 108.800 -0.108 0.000 2.653 66 G HA2 0.496 4.455 3.960 -0.001 0.000 0.265 66 G HA3 0.496 4.455 3.960 -0.001 0.000 0.265 66 G C -2.665 172.214 174.900 -0.035 0.000 1.237 66 G CA -0.892 44.117 45.100 -0.152 0.000 0.946 66 G HN 0.375 nan 8.290 nan 0.000 0.522 67 P HA 0.054 nan 4.420 nan 0.000 0.271 67 P C -0.561 176.821 177.300 0.138 0.000 1.218 67 P CA -0.233 62.920 63.100 0.087 0.000 0.780 67 P CB 0.624 32.430 31.700 0.177 0.000 0.901 68 N N 1.789 120.563 118.700 0.123 0.000 2.406 68 N HA 0.128 4.868 4.740 -0.001 0.000 0.265 68 N C 0.219 175.793 175.510 0.108 0.000 1.203 68 N CA -0.314 52.814 53.050 0.130 0.000 0.945 68 N CB -0.199 38.351 38.487 0.105 0.000 1.165 68 N HN 0.386 nan 8.380 nan 0.000 0.485 69 I N 2.557 123.182 120.570 0.092 0.000 2.648 69 I HA 0.047 4.216 4.170 -0.001 0.000 0.284 69 I C -0.024 176.175 176.117 0.137 0.000 1.153 69 I CA -0.071 61.180 61.300 -0.082 0.000 1.426 69 I CB 0.593 38.558 38.000 -0.058 0.000 1.381 69 I HN 0.163 nan 8.210 nan 0.000 0.571 70 V N 5.638 125.691 119.914 0.231 0.000 2.668 70 V HA 0.827 4.946 4.120 -0.001 0.000 0.304 70 V C -0.228 175.989 176.094 0.204 0.000 1.071 70 V CA -0.443 61.982 62.300 0.208 0.000 0.894 70 V CB 1.510 33.449 31.823 0.193 0.000 1.008 70 V HN 0.926 nan 8.190 nan 0.000 0.425 71 A N 4.043 126.963 122.820 0.167 0.000 2.568 71 A HA 0.844 5.164 4.320 -0.001 0.000 0.291 71 A C -1.272 176.415 177.584 0.172 0.000 1.159 71 A CA -0.799 51.320 52.037 0.137 0.000 0.679 71 A CB 1.648 20.695 19.000 0.079 0.000 1.285 71 A HN 0.636 nan 8.150 nan 0.000 0.428 72 N N -0.182 118.630 118.700 0.188 0.000 2.489 72 N HA 0.268 5.007 4.740 -0.001 0.000 0.284 72 N C -0.747 174.931 175.510 0.279 0.000 1.158 72 N CA -0.225 52.998 53.050 0.288 0.000 0.965 72 N CB 0.768 39.480 38.487 0.375 0.000 1.195 72 N HN 0.702 nan 8.380 nan 0.000 0.506 73 W N 1.433 122.743 121.300 0.017 0.000 2.476 73 W HA 0.165 4.825 4.660 -0.001 0.000 0.338 73 W C 1.198 177.710 176.519 -0.012 0.000 1.328 73 W CA 1.098 58.412 57.345 -0.051 0.000 1.300 73 W CB -0.863 28.406 29.460 -0.318 0.000 1.252 73 W HN 0.837 nan 8.180 nan 0.000 0.568 74 G N 3.338 112.217 108.800 0.132 0.000 2.217 74 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.246 74 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.246 74 G C 0.293 175.179 174.900 -0.024 0.000 0.990 74 G CA 0.087 45.141 45.100 -0.076 0.000 0.627 74 G HN 0.547 nan 8.290 nan 0.000 0.522 75 D N 0.924 121.340 120.400 0.027 0.000 2.363 75 D HA 0.483 5.122 4.640 -0.001 0.000 0.240 75 D C 0.708 176.974 176.300 -0.058 0.000 1.236 75 D CA 0.790 54.779 54.000 -0.019 0.000 0.927 75 D CB 0.451 41.246 40.800 -0.007 0.000 1.150 75 D HN 0.123 nan 8.370 nan 0.000 0.458 76 T N 0.241 114.721 114.554 -0.124 0.000 2.829 76 T HA 0.444 4.793 4.350 -0.001 0.000 0.282 76 T C -0.150 174.331 174.700 -0.365 0.000 0.990 76 T CA -0.641 61.327 62.100 -0.220 0.000 1.028 76 T CB 1.287 70.040 68.868 -0.192 0.000 0.951 76 T HN -0.038 nan 8.240 nan 0.000 0.460 77 V N 3.038 122.531 119.914 -0.701 0.000 2.435 77 V HA 0.523 4.643 4.120 -0.001 0.000 0.290 77 V C -0.021 175.519 176.094 -0.924 0.000 1.030 77 V CA -0.669 61.085 62.300 -0.909 0.000 0.881 77 V CB 1.640 32.502 31.823 -1.600 0.000 0.983 77 V HN 0.896 nan 8.190 nan 0.000 0.445 78 E N 3.441 123.313 120.200 -0.547 0.000 2.246 78 E HA 0.684 5.033 4.350 -0.001 0.000 0.266 78 E C -1.943 174.484 176.600 -0.287 0.000 0.880 78 E CA -0.467 55.693 56.400 -0.399 0.000 0.762 78 E CB 2.176 31.723 29.700 -0.255 0.000 1.180 78 E HN 0.442 nan 8.360 nan 0.000 0.416 79 V N 3.873 123.628 119.914 -0.265 0.000 2.482 79 V HA 0.293 4.413 4.120 -0.001 0.000 0.295 79 V C -0.316 175.740 176.094 -0.063 0.000 1.026 79 V CA -0.791 61.356 62.300 -0.255 0.000 0.856 79 V CB 1.829 33.335 31.823 -0.528 0.000 1.001 79 V HN 0.762 nan 8.190 nan 0.000 0.424 80 T N 4.763 119.285 114.554 -0.053 0.000 2.749 80 T HA 0.428 4.777 4.350 -0.001 0.000 0.295 80 T C -0.049 174.688 174.700 0.061 0.000 0.936 80 T CA -0.109 62.005 62.100 0.023 0.000 1.060 80 T CB 1.109 69.988 68.868 0.019 0.000 0.904 80 T HN 0.359 nan 8.240 nan 0.000 0.500 81 V N 5.951 125.947 119.914 0.137 0.000 2.370 81 V HA 0.439 4.559 4.120 -0.001 0.000 0.283 81 V C 0.042 176.218 176.094 0.135 0.000 1.023 81 V CA -0.741 61.676 62.300 0.194 0.000 0.857 81 V CB 1.086 33.096 31.823 0.312 0.000 0.985 81 V HN 0.781 nan 8.190 nan 0.000 0.443 82 I N 4.498 125.148 120.570 0.133 0.000 2.354 82 I HA 0.361 4.531 4.170 -0.001 0.000 0.286 82 I C -0.069 176.088 176.117 0.067 0.000 1.007 82 I CA -0.463 60.886 61.300 0.082 0.000 1.167 82 I CB 1.484 39.529 38.000 0.075 0.000 1.320 82 I HN 0.493 nan 8.210 nan 0.000 0.458 83 N N 6.138 124.855 118.700 0.028 0.000 2.469 83 N HA 0.151 4.891 4.740 -0.001 0.000 0.239 83 N C -0.095 175.404 175.510 -0.018 0.000 1.053 83 N CA -0.016 53.031 53.050 -0.005 0.000 0.937 83 N CB 0.359 38.816 38.487 -0.051 0.000 1.163 83 N HN 0.421 nan 8.380 nan 0.000 0.509 84 N N 3.364 122.063 118.700 -0.002 0.000 2.279 84 N HA 0.138 4.877 4.740 -0.001 0.000 0.226 84 N C 0.041 175.547 175.510 -0.007 0.000 1.126 84 N CA -0.103 52.945 53.050 -0.003 0.000 0.846 84 N CB 0.474 38.970 38.487 0.016 0.000 1.050 84 N HN 0.494 nan 8.380 nan 0.000 0.502 85 L N -0.128 121.082 121.223 -0.023 0.000 2.474 85 L HA 0.068 4.407 4.340 -0.001 0.000 0.259 85 L C 1.885 178.752 176.870 -0.005 0.000 1.232 85 L CA -0.278 54.554 54.840 -0.013 0.000 0.821 85 L CB 0.555 42.593 42.059 -0.034 0.000 1.108 85 L HN -0.147 nan 8.230 nan 0.000 0.495 86 V N -0.440 119.496 119.914 0.037 0.000 2.379 86 V HA -0.138 3.981 4.120 -0.001 0.000 0.243 86 V C 1.878 178.022 176.094 0.083 0.000 1.035 86 V CA 2.197 64.532 62.300 0.059 0.000 1.035 86 V CB -0.280 31.597 31.823 0.090 0.000 0.673 86 V HN 1.098 nan 8.190 nan 0.000 0.457 87 T N -4.416 110.225 114.554 0.145 0.000 2.989 87 T HA 0.171 4.520 4.350 -0.001 0.000 0.250 87 T C 0.658 175.507 174.700 0.249 0.000 0.981 87 T CA -0.191 62.056 62.100 0.246 0.000 0.980 87 T CB -0.351 68.743 68.868 0.377 0.000 1.133 87 T HN 0.360 nan 8.240 nan 0.000 0.489 88 N N 1.619 120.401 118.700 0.137 0.000 2.508 88 N HA 0.442 5.181 4.740 -0.001 0.000 0.264 88 N C 0.526 175.808 175.510 -0.380 0.000 1.216 88 N CA -0.243 52.771 53.050 -0.060 0.000 0.943 88 N CB 0.790 39.170 38.487 -0.178 0.000 1.113 88 N HN 0.491 nan 8.380 nan 0.000 0.447 89 G N -0.032 108.279 108.800 -0.816 0.000 2.653 89 G HA2 0.294 4.254 3.960 -0.001 0.000 0.265 89 G HA3 0.294 4.254 3.960 -0.001 0.000 0.265 89 G C -0.330 173.809 174.900 -1.267 0.000 1.237 89 G CA 0.056 44.610 45.100 -0.911 0.000 0.946 89 G HN 0.417 nan 8.290 nan 0.000 0.522 90 T N -1.718 112.423 114.554 -0.688 0.000 2.868 90 T HA 0.615 4.965 4.350 -0.001 0.000 0.306 90 T C -1.111 173.488 174.700 -0.169 0.000 1.224 90 T CA -0.417 61.454 62.100 -0.382 0.000 1.012 90 T CB 1.499 70.254 68.868 -0.188 0.000 1.221 90 T HN 0.572 nan 8.240 nan 0.000 0.499 91 S N 2.505 118.194 115.700 -0.017 0.000 2.614 91 S HA 0.575 5.045 4.470 -0.001 0.000 0.275 91 S C -1.135 173.466 174.600 0.001 0.000 1.161 91 S CA -0.705 57.538 58.200 0.072 0.000 0.969 91 S CB 0.856 64.102 63.200 0.075 0.000 1.059 91 S HN 0.598 nan 8.310 nan 0.000 0.482 92 I N 3.596 124.067 120.570 -0.165 0.000 2.321 92 I HA 0.311 4.481 4.170 -0.001 0.000 0.291 92 I C 0.158 175.657 176.117 -1.029 0.000 0.998 92 I CA -0.389 60.539 61.300 -0.621 0.000 1.227 92 I CB 0.626 38.099 38.000 -0.878 0.000 1.368 92 I HN 0.730 nan 8.210 nan 0.000 0.466 93 H N 6.257 124.745 119.070 -0.970 0.000 2.458 93 H HA 0.398 4.953 4.556 -0.000 0.000 0.330 93 H C -1.447 173.193 175.328 -1.147 0.000 1.111 93 H CA -0.546 54.964 56.048 -0.897 0.000 1.245 93 H CB 0.799 30.288 29.762 -0.455 0.000 1.456 93 H HN 0.415 nan 8.280 nan 0.000 0.488 94 W N 5.378 126.098 121.300 -0.967 0.000 2.292 94 W HA 0.199 4.858 4.660 -0.001 0.000 0.352 94 W C -0.116 175.755 176.519 -1.081 0.000 0.962 94 W CA -0.890 55.947 57.345 -0.846 0.000 1.496 94 W CB -0.276 28.656 29.460 -0.881 0.000 1.381 94 W HN 0.678 nan 8.180 nan 0.000 0.363 95 H N 1.825 120.266 119.070 -1.050 0.000 2.899 95 H HA 0.413 4.969 4.556 -0.001 0.000 0.303 95 H C 1.377 176.473 175.328 -0.386 0.000 1.042 95 H CA 1.269 56.819 56.048 -0.829 0.000 1.479 95 H CB 0.533 29.674 29.762 -1.035 0.000 1.493 95 H HN 0.780 nan 8.280 nan 0.000 0.534 96 G N 4.670 113.372 108.800 -0.164 0.000 2.213 96 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.226 96 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.226 96 G C -0.040 174.735 174.900 -0.207 0.000 0.992 96 G CA 0.122 45.173 45.100 -0.081 0.000 0.632 96 G HN 0.489 nan 8.290 nan 0.000 0.511 100 K N 2.377 122.805 120.400 0.046 0.000 2.419 100 K HA 0.009 4.329 4.320 -0.001 0.000 0.282 100 K C 0.126 176.796 176.600 0.117 0.000 1.056 100 K CA 0.865 57.182 56.287 0.051 0.000 1.035 100 K CB 0.049 32.558 32.500 0.015 0.000 0.921 100 K HN 0.190 nan 8.250 nan 0.000 0.472 101 D N 2.652 123.150 120.400 0.164 0.000 2.882 101 D HA -0.177 4.463 4.640 -0.001 0.000 0.229 101 D C -0.518 175.875 176.300 0.156 0.000 1.167 101 D CA 1.743 55.833 54.000 0.150 0.000 0.759 101 D CB -1.317 39.542 40.800 0.099 0.000 1.088 101 D HN 0.757 nan 8.370 nan 0.000 0.425 102 T N -3.332 111.349 114.554 0.212 0.000 3.533 102 T HA 0.156 4.505 4.350 -0.001 0.000 0.275 102 T C 0.980 175.869 174.700 0.314 0.000 1.000 102 T CA -0.288 61.960 62.100 0.246 0.000 1.015 102 T CB 0.247 69.228 68.868 0.188 0.000 1.153 102 T HN 0.153 nan 8.240 nan 0.000 0.504 103 N N 0.745 119.574 118.700 0.214 0.000 2.132 103 N HA -0.130 4.609 4.740 -0.001 0.000 0.191 103 N C 1.112 176.656 175.510 0.055 0.000 1.015 103 N CA 1.075 54.133 53.050 0.014 0.000 0.864 103 N CB -0.119 38.154 38.487 -0.358 0.000 1.006 103 N HN 0.337 nan 8.380 nan 0.000 0.430 104 L N 0.464 121.741 121.223 0.090 0.000 2.622 104 L HA -0.046 4.293 4.340 -0.001 0.000 0.233 104 L C 1.347 178.240 176.870 0.038 0.000 1.156 104 L CA 0.984 55.845 54.840 0.036 0.000 0.866 104 L CB -0.468 41.573 42.059 -0.029 0.000 0.980 104 L HN 0.293 nan 8.230 nan 0.000 0.448 105 H N -2.433 116.799 119.070 0.269 0.000 2.520 105 H HA 0.081 4.637 4.556 -0.001 0.000 0.284 105 H C 0.909 176.597 175.328 0.598 0.000 1.037 105 H CA 0.091 56.421 56.048 0.471 0.000 1.168 105 H CB 0.486 30.504 29.762 0.427 0.000 1.497 105 H HN 0.260 nan 8.280 nan 0.000 0.547 106 D N 0.531 121.236 120.400 0.508 0.000 2.312 106 D HA -0.047 4.593 4.640 -0.001 0.000 0.211 106 D C 1.737 178.327 176.300 0.482 0.000 0.964 106 D CA 1.062 55.376 54.000 0.524 0.000 0.877 106 D CB 0.063 41.142 40.800 0.465 0.000 0.924 106 D HN 0.547 nan 8.370 nan 0.000 0.515 107 G N -0.612 108.450 108.800 0.436 0.000 2.147 107 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.244 107 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.244 107 G C 0.299 175.305 174.900 0.175 0.000 1.005 107 G CA 0.297 45.579 45.100 0.303 0.000 0.713 107 G HN 0.678 nan 8.290 nan 0.000 0.515 108 A N 0.987 123.874 122.820 0.112 0.000 2.621 108 A HA 0.597 4.917 4.320 -0.001 0.000 0.329 108 A C 0.734 178.294 177.584 -0.039 0.000 1.458 108 A CA 0.028 52.018 52.037 -0.079 0.000 1.052 108 A CB -0.391 18.498 19.000 -0.184 0.000 1.142 108 A HN 0.874 nan 8.150 nan 0.000 0.523 109 N N 1.494 120.196 118.700 0.003 0.000 2.454 109 N HA 0.291 5.030 4.740 -0.001 0.000 0.254 109 N C 0.988 176.561 175.510 0.104 0.000 1.228 109 N CA 0.285 53.349 53.050 0.024 0.000 0.900 109 N CB 0.628 39.075 38.487 -0.066 0.000 1.089 109 N HN 0.973 nan 8.380 nan 0.000 0.449 110 G N 0.049 108.923 108.800 0.123 0.000 2.234 110 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.260 110 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.260 110 G C 0.461 175.381 174.900 0.033 0.000 0.987 110 G CA 0.518 45.679 45.100 0.102 0.000 0.625 110 G HN 0.518 nan 8.290 nan 0.000 0.532 111 V N 0.093 120.007 119.914 -0.001 0.000 3.001 111 V HA 0.205 4.324 4.120 -0.001 0.000 0.228 111 V C 2.464 178.553 176.094 -0.009 0.000 1.204 111 V CA 2.483 64.748 62.300 -0.059 0.000 1.247 111 V CB 0.126 31.850 31.823 -0.165 0.000 1.093 111 V HN 0.764 nan 8.190 nan 0.000 0.504 112 T N -0.880 113.682 114.554 0.014 0.000 3.040 112 T HA 0.303 4.652 4.350 -0.001 0.000 0.250 112 T C 0.253 175.100 174.700 0.245 0.000 1.058 112 T CA 0.296 62.425 62.100 0.048 0.000 0.988 112 T CB -0.085 68.790 68.868 0.012 0.000 0.993 112 T HN 0.747 nan 8.240 nan 0.000 0.519 113 E N -0.869 119.485 120.200 0.258 0.000 2.409 113 E HA 0.477 4.827 4.350 -0.001 0.000 0.280 113 E C -1.512 175.070 176.600 -0.029 0.000 1.079 113 E CA -1.209 55.296 56.400 0.175 0.000 0.840 113 E CB 0.416 30.160 29.700 0.073 0.000 1.309 113 E HN 0.072 nan 8.360 nan 0.000 0.447 114 c N 1.527 119.982 118.600 -0.242 0.000 2.520 114 c HA 0.483 5.052 4.570 -0.001 0.000 0.376 114 c C -2.077 171.765 174.090 -0.414 0.000 1.268 114 c CA -0.952 55.187 56.329 -0.316 0.000 2.414 114 c CB -0.216 42.141 42.510 -0.256 0.000 2.521 114 c HN 0.612 nan 8.230 nan 0.000 0.618 115 P HA 0.180 nan 4.420 nan 0.000 0.269 115 P C -0.585 176.451 177.300 -0.440 0.000 1.209 115 P CA 0.166 62.805 63.100 -0.768 0.000 0.776 115 P CB 0.175 30.999 31.700 -1.460 0.000 0.876 116 I N 4.734 125.157 120.570 -0.246 0.000 2.598 116 I HA 0.089 4.259 4.170 -0.001 0.000 0.284 116 I C -1.767 174.338 176.117 -0.020 0.000 1.140 116 I CA -1.772 59.477 61.300 -0.084 0.000 1.420 116 I CB 0.149 38.116 38.000 -0.056 0.000 1.387 116 I HN 0.206 nan 8.210 nan 0.000 0.553 117 P HA 0.190 nan 4.420 nan 0.000 0.272 117 P C -2.482 174.726 177.300 -0.153 0.000 1.230 117 P CA -1.408 61.734 63.100 0.071 0.000 0.788 117 P CB -0.166 31.550 31.700 0.027 0.000 0.949 118 P HA 0.072 nan 4.420 nan 0.000 0.289 118 P C -0.429 176.751 177.300 -0.199 0.000 1.299 118 P CA -0.229 62.713 63.100 -0.263 0.000 0.766 118 P CB 0.145 31.663 31.700 -0.304 0.000 1.226 119 K N -1.820 118.515 120.400 -0.109 0.000 3.069 119 K HA -0.176 4.143 4.320 -0.001 0.000 0.267 119 K C 0.802 177.379 176.600 -0.040 0.000 1.082 119 K CA 0.650 56.904 56.287 -0.056 0.000 0.782 119 K CB -2.768 29.705 32.500 -0.045 0.000 1.230 119 K HN 0.964 nan 8.250 nan 0.000 0.488 120 G N -1.383 107.395 108.800 -0.036 0.000 2.205 120 G HA2 -0.125 3.834 3.960 -0.001 0.000 0.180 120 G HA3 -0.125 3.834 3.960 -0.001 0.000 0.180 120 G C 0.429 175.322 174.900 -0.012 0.000 1.004 120 G CA -0.220 44.872 45.100 -0.013 0.000 0.670 120 G HN 0.800 nan 8.290 nan 0.000 0.496 121 G N -0.007 108.776 108.800 -0.028 0.000 2.630 121 G HA2 0.546 4.505 3.960 -0.001 0.000 0.236 121 G HA3 0.546 4.505 3.960 -0.001 0.000 0.236 121 G C 0.090 174.990 174.900 -0.001 0.000 1.248 121 G CA 1.048 46.141 45.100 -0.012 0.000 0.844 121 G HN 1.363 nan 8.290 nan 0.000 0.588 122 Q N -0.471 119.330 119.800 0.001 0.000 2.435 122 Q HA 0.689 5.028 4.340 -0.001 0.000 0.282 122 Q C -1.269 174.719 176.000 -0.021 0.000 1.020 122 Q CA -1.217 54.590 55.803 0.006 0.000 0.820 122 Q CB 2.253 31.000 28.738 0.015 0.000 1.436 122 Q HN 0.572 nan 8.270 nan 0.000 0.395 123 R N 0.986 121.468 120.500 -0.029 0.000 2.643 123 R HA 0.471 4.811 4.340 -0.001 0.000 0.269 123 R C -1.617 174.626 176.300 -0.094 0.000 1.037 123 R CA -0.311 55.723 56.100 -0.110 0.000 0.894 123 R CB 2.778 32.941 30.300 -0.228 0.000 1.238 123 R HN 0.870 nan 8.270 nan 0.000 0.459 124 T N 3.711 118.202 114.554 -0.104 0.000 2.771 124 T HA 0.428 4.777 4.350 -0.001 0.000 0.281 124 T C -0.993 173.695 174.700 -0.020 0.000 0.982 124 T CA -0.192 61.892 62.100 -0.026 0.000 0.978 124 T CB 0.321 69.184 68.868 -0.009 0.000 0.930 124 T HN 0.267 nan 8.240 nan 0.000 0.447 125 Y N 2.117 122.494 120.300 0.127 0.000 2.334 125 Y HA 0.601 5.151 4.550 -0.001 0.000 0.328 125 Y C 0.826 176.738 175.900 0.020 0.000 1.130 125 Y CA -0.847 57.427 58.100 0.290 0.000 1.163 125 Y CB 1.105 39.789 38.460 0.374 0.000 1.207 125 Y HN 0.389 nan 8.280 nan 0.000 0.471 126 R N 4.746 125.333 120.500 0.145 0.000 2.533 126 R HA 0.371 4.710 4.340 -0.001 0.000 0.288 126 R C -2.088 174.000 176.300 -0.353 0.000 1.039 126 R CA -0.572 55.344 56.100 -0.307 0.000 0.909 126 R CB 1.299 31.450 30.300 -0.248 0.000 1.195 126 R HN 0.907 nan 8.270 nan 0.000 0.438 127 W N 2.730 123.833 121.300 -0.329 0.000 3.118 127 W HA 0.484 5.144 4.660 -0.000 0.000 0.328 127 W C -1.435 174.977 176.519 -0.179 0.000 1.239 127 W CA -1.200 55.986 57.345 -0.264 0.000 1.176 127 W CB 0.629 29.933 29.460 -0.260 0.000 1.433 127 W HN 0.426 nan 8.180 nan 0.000 0.562 128 R N 1.795 122.431 120.500 0.227 0.000 2.357 128 R HA 0.533 4.873 4.340 -0.001 0.000 0.296 128 R C -0.105 176.390 176.300 0.325 0.000 1.052 128 R CA -0.109 56.086 56.100 0.158 0.000 0.988 128 R CB 1.205 31.565 30.300 0.100 0.000 1.025 128 R HN 0.548 nan 8.270 nan 0.000 0.469 129 A N 5.472 128.448 122.820 0.260 0.000 2.805 129 A HA 0.194 4.513 4.320 -0.001 0.000 0.301 129 A C 0.136 177.915 177.584 0.325 0.000 1.557 129 A CA -0.263 51.979 52.037 0.342 0.000 1.254 129 A CB -0.253 18.920 19.000 0.289 0.000 1.114 129 A HN 0.887 nan 8.150 nan 0.000 0.553 130 R N 0.476 121.145 120.500 0.282 0.000 2.388 130 R HA 0.148 4.488 4.340 -0.001 0.000 0.247 130 R C -0.195 176.288 176.300 0.305 0.000 0.931 130 R CA 0.125 56.426 56.100 0.335 0.000 1.082 130 R CB 0.327 30.762 30.300 0.224 0.000 1.135 130 R HN 0.618 nan 8.270 nan 0.000 0.525 131 Q N 0.405 120.259 119.800 0.089 0.000 2.327 131 Q HA 0.143 4.483 4.340 -0.001 0.000 0.265 131 Q C -1.735 174.011 176.000 -0.422 0.000 0.993 131 Q CA -0.890 54.708 55.803 -0.342 0.000 0.885 131 Q CB 1.745 30.288 28.738 -0.326 0.000 1.379 131 Q HN 0.182 nan 8.270 nan 0.000 0.408 132 Y N 0.534 120.414 120.300 -0.700 0.000 2.420 132 Y HA 0.970 5.520 4.550 -0.000 0.000 0.334 132 Y C 0.599 176.239 175.900 -0.434 0.000 1.094 132 Y CA -0.211 57.556 58.100 -0.555 0.000 1.126 132 Y CB 1.677 39.658 38.460 -0.799 0.000 1.217 132 Y HN 0.741 nan 8.280 nan 0.000 0.462 133 G N 0.646 109.355 108.800 -0.152 0.000 2.291 133 G HA2 0.267 4.227 3.960 -0.001 0.000 0.249 133 G HA3 0.267 4.227 3.960 -0.001 0.000 0.249 133 G C -1.498 173.361 174.900 -0.068 0.000 1.340 133 G CA -0.648 44.365 45.100 -0.144 0.000 1.017 133 G HN 0.734 nan 8.290 nan 0.000 0.470 134 T N 1.055 115.562 114.554 -0.078 0.000 2.786 134 T HA 0.800 5.150 4.350 -0.001 0.000 0.283 134 T C -0.100 174.587 174.700 -0.023 0.000 0.992 134 T CA 0.100 62.180 62.100 -0.033 0.000 0.954 134 T CB 1.446 70.287 68.868 -0.045 0.000 0.934 134 T HN 0.741 nan 8.240 nan 0.000 0.440 135 S N 1.772 117.498 115.700 0.044 0.000 2.911 135 S HA 0.856 5.325 4.470 -0.001 0.000 0.319 135 S C -1.601 173.140 174.600 0.234 0.000 1.154 135 S CA -0.942 57.330 58.200 0.119 0.000 0.857 135 S CB 1.435 64.667 63.200 0.053 0.000 1.279 135 S HN 0.816 nan 8.310 nan 0.000 0.593 136 W N 0.553 121.786 121.300 -0.112 0.000 3.005 136 W HA 0.672 5.332 4.660 -0.001 0.000 0.343 136 W C -2.442 174.021 176.519 -0.092 0.000 1.243 136 W CA -1.311 55.934 57.345 -0.167 0.000 1.186 136 W CB -0.232 29.037 29.460 -0.319 0.000 1.453 136 W HN 0.755 nan 8.180 nan 0.000 0.575 137 Y N -0.019 120.195 120.300 -0.143 0.000 2.576 137 Y HA 0.818 5.368 4.550 -0.001 0.000 0.346 137 Y C -0.775 174.832 175.900 -0.488 0.000 1.018 137 Y CA -1.396 56.391 58.100 -0.522 0.000 1.050 137 Y CB 1.742 39.979 38.460 -0.371 0.000 1.280 137 Y HN 0.735 nan 8.280 nan 0.000 0.474 138 H N -1.777 116.991 119.070 -0.504 0.000 3.037 138 H HA 0.514 5.070 4.556 -0.001 0.000 0.336 138 H C -1.171 173.998 175.328 -0.265 0.000 1.323 138 H CA -1.038 54.760 56.048 -0.418 0.000 1.159 138 H CB 0.948 30.180 29.762 -0.883 0.000 1.882 138 H HN 0.793 nan 8.280 nan 0.000 0.535 139 S N -0.194 115.561 115.700 0.091 0.000 2.568 139 S HA -0.020 4.449 4.470 -0.001 0.000 0.282 139 S C 0.128 174.863 174.600 0.224 0.000 1.338 139 S CA -0.184 58.092 58.200 0.127 0.000 1.045 139 S CB 0.020 63.338 63.200 0.196 0.000 0.873 139 S HN 0.800 nan 8.310 nan 0.000 0.516 140 H N 3.068 122.228 119.070 0.150 0.000 2.528 140 H HA 0.229 4.784 4.556 -0.001 0.000 0.282 140 H C -0.776 174.663 175.328 0.186 0.000 1.097 140 H CA -0.325 55.824 56.048 0.169 0.000 1.121 140 H CB -0.144 29.657 29.762 0.065 0.000 1.590 140 H HN 0.584 nan 8.280 nan 0.000 0.553 141 F N 1.961 121.997 119.950 0.143 0.000 2.464 141 F HA 0.172 4.698 4.527 -0.000 0.000 0.353 141 F C 0.989 176.916 175.800 0.211 0.000 1.191 141 F CA 0.165 58.209 58.000 0.073 0.000 1.147 141 F CB -0.108 38.817 39.000 -0.125 0.000 1.294 141 F HN 0.074 nan 8.300 nan 0.000 0.583 142 S N 2.654 118.422 115.700 0.113 0.000 3.927 142 S HA -0.344 4.125 4.470 -0.001 0.000 0.618 142 S C 0.964 175.659 174.600 0.157 0.000 2.201 142 S CA 1.149 59.430 58.200 0.135 0.000 4.160 142 S CB -1.358 61.913 63.200 0.118 0.000 0.266 142 S HN 1.014 nan 8.310 nan 0.000 0.760 143 A N 0.819 123.726 122.820 0.146 0.000 2.532 143 A HA 0.306 4.626 4.320 -0.001 0.000 0.273 143 A C 1.545 179.160 177.584 0.052 0.000 1.342 143 A CA 0.925 52.993 52.037 0.051 0.000 0.929 143 A CB -0.393 18.668 19.000 0.102 0.000 1.051 143 A HN 0.582 nan 8.150 nan 0.000 0.521 144 Q N -0.385 119.527 119.800 0.186 0.000 2.197 144 Q HA -0.263 4.077 4.340 -0.001 0.000 0.207 144 Q C 1.609 177.703 176.000 0.156 0.000 0.984 144 Q CA 2.350 58.273 55.803 0.200 0.000 0.869 144 Q CB -0.365 28.549 28.738 0.293 0.000 0.906 144 Q HN 0.985 nan 8.270 nan 0.000 0.426 145 Y N -2.202 118.148 120.300 0.084 0.000 2.421 145 Y HA 0.137 4.687 4.550 -0.001 0.000 0.292 145 Y C 1.767 177.704 175.900 0.063 0.000 1.136 145 Y CA 0.938 59.077 58.100 0.064 0.000 1.255 145 Y CB -0.909 37.582 38.460 0.051 0.000 0.991 145 Y HN 0.011 nan 8.280 nan 0.000 0.552 146 G N 0.613 109.251 108.800 -0.270 0.000 2.625 146 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.214 146 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.214 146 G C 1.171 176.098 174.900 0.045 0.000 1.132 146 G CA 0.588 45.600 45.100 -0.147 0.000 0.782 146 G HN 0.412 nan 8.290 nan 0.000 0.538 147 N N 0.122 118.853 118.700 0.053 0.000 2.280 147 N HA 0.155 4.895 4.740 -0.001 0.000 0.192 147 N C 1.569 177.080 175.510 0.000 0.000 1.109 147 N CA 0.880 53.957 53.050 0.045 0.000 0.855 147 N CB 0.784 39.297 38.487 0.042 0.000 0.974 147 N HN 0.397 nan 8.380 nan 0.000 0.482 148 G N -0.823 107.998 108.800 0.034 0.000 2.273 148 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.162 148 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.162 148 G C -0.236 174.674 174.900 0.017 0.000 1.006 148 G CA -0.350 44.743 45.100 -0.011 0.000 0.704 148 G HN 0.096 nan 8.290 nan 0.000 0.487 149 V N 1.595 121.555 119.914 0.077 0.000 2.229 149 V HA 0.593 4.713 4.120 -0.001 0.000 0.245 149 V C 0.308 176.473 176.094 0.119 0.000 1.243 149 V CA 0.208 62.560 62.300 0.086 0.000 1.176 149 V CB 0.548 32.432 31.823 0.102 0.000 1.323 149 V HN 0.686 nan 8.190 nan 0.000 0.499 150 V N 2.991 122.924 119.914 0.031 0.000 3.098 150 V HA 0.987 5.107 4.120 -0.001 0.000 0.294 150 V C -0.114 175.765 176.094 -0.359 0.000 1.351 150 V CA 0.516 62.768 62.300 -0.079 0.000 0.999 150 V CB 2.339 34.232 31.823 0.117 0.000 1.104 150 V HN 0.775 nan 8.190 nan 0.000 0.438 151 G N 2.401 110.652 108.800 -0.915 0.000 2.554 151 G HA2 0.700 4.660 3.960 -0.001 0.000 0.306 151 G HA3 0.700 4.660 3.960 -0.001 0.000 0.306 151 G C -0.650 173.776 174.900 -0.790 0.000 1.320 151 G CA 0.215 44.784 45.100 -0.884 0.000 0.800 151 G HN 1.398 nan 8.290 nan 0.000 0.481 152 T N -2.037 112.354 114.554 -0.272 0.000 2.950 152 T HA 0.802 5.152 4.350 -0.001 0.000 0.288 152 T C -0.502 174.333 174.700 0.225 0.000 1.035 152 T CA -0.698 61.402 62.100 -0.000 0.000 1.028 152 T CB 1.777 70.648 68.868 0.005 0.000 1.109 152 T HN 0.553 nan 8.240 nan 0.000 0.514 153 I N 1.122 121.824 120.570 0.220 0.000 2.533 153 I HA 0.415 4.584 4.170 -0.001 0.000 0.290 153 I C -0.543 175.671 176.117 0.162 0.000 1.056 153 I CA -0.748 60.707 61.300 0.258 0.000 1.057 153 I CB 2.299 40.490 38.000 0.319 0.000 1.240 153 I HN 0.691 nan 8.210 nan 0.000 0.423 154 Q N 6.798 126.692 119.800 0.156 0.000 2.320 154 Q HA 0.467 4.807 4.340 -0.001 0.000 0.268 154 Q C -1.652 174.427 176.000 0.131 0.000 1.023 154 Q CA -0.652 55.219 55.803 0.114 0.000 0.744 154 Q CB 1.524 30.323 28.738 0.102 0.000 1.246 154 Q HN 0.497 nan 8.270 nan 0.000 0.462 155 I N 3.824 124.459 120.570 0.107 0.000 2.312 155 I HA 0.292 4.462 4.170 -0.001 0.000 0.290 155 I C -0.021 176.138 176.117 0.071 0.000 1.008 155 I CA -0.609 60.763 61.300 0.120 0.000 1.226 155 I CB 0.895 38.972 38.000 0.127 0.000 1.371 155 I HN 0.635 nan 8.210 nan 0.000 0.468 156 N N 4.402 123.160 118.700 0.095 0.000 2.525 156 N HA 0.613 5.353 4.740 -0.001 0.000 0.271 156 N C 0.411 175.690 175.510 -0.386 0.000 1.194 156 N CA 0.162 53.233 53.050 0.035 0.000 0.964 156 N CB 2.096 40.744 38.487 0.267 0.000 1.126 156 N HN 0.889 nan 8.380 nan 0.000 0.452 157 G N 0.510 108.821 108.800 -0.815 0.000 2.427 157 G HA2 0.328 4.287 3.960 -0.001 0.000 0.306 157 G HA3 0.328 4.287 3.960 -0.001 0.000 0.306 157 G C -3.146 171.103 174.900 -1.085 0.000 1.280 157 G CA -0.540 43.421 45.100 -1.899 0.000 0.837 157 G HN 0.310 nan 8.290 nan 0.000 0.482 158 P HA 0.565 nan 4.420 nan 0.000 0.275 158 P C -0.472 176.756 177.300 -0.120 0.000 1.266 158 P CA 0.134 63.082 63.100 -0.253 0.000 0.793 158 P CB 1.704 33.309 31.700 -0.157 0.000 1.074 159 A N -0.127 122.738 122.820 0.075 0.000 2.566 159 A HA 0.497 4.816 4.320 -0.001 0.000 0.292 159 A C 0.740 178.410 177.584 0.144 0.000 1.112 159 A CA -0.131 52.002 52.037 0.160 0.000 0.707 159 A CB 0.576 19.768 19.000 0.319 0.000 1.302 159 A HN 0.463 nan 8.150 nan 0.000 0.409 160 S N -0.568 115.216 115.700 0.139 0.000 2.593 160 S HA 0.402 4.872 4.470 -0.001 0.000 0.217 160 S C 0.044 174.713 174.600 0.114 0.000 0.966 160 S CA 0.444 58.713 58.200 0.114 0.000 0.914 160 S CB -0.447 62.812 63.200 0.098 0.000 0.776 160 S HN 0.817 nan 8.310 nan 0.000 0.523 161 L N 1.527 122.842 121.223 0.152 0.000 2.466 161 L HA 0.623 4.963 4.340 -0.001 0.000 0.258 161 L C -2.783 174.188 176.870 0.169 0.000 0.973 161 L CA -2.004 52.922 54.840 0.144 0.000 0.826 161 L CB 1.981 44.124 42.059 0.140 0.000 1.372 161 L HN -0.178 nan 8.230 nan 0.000 0.409 162 P HA 0.288 nan 4.420 nan 0.000 0.269 162 P C -1.849 175.507 177.300 0.093 0.000 1.209 162 P CA 0.315 63.414 63.100 -0.002 0.000 0.776 162 P CB 0.275 31.970 31.700 -0.007 0.000 0.876 163 Y N -1.786 118.519 120.300 0.008 0.000 2.624 163 Y HA 0.440 4.990 4.550 -0.001 0.000 0.334 163 Y C 0.241 176.118 175.900 -0.039 0.000 1.155 163 Y CA -0.956 57.136 58.100 -0.014 0.000 1.046 163 Y CB 0.166 38.624 38.460 -0.003 0.000 1.316 163 Y HN 0.134 nan 8.280 nan 0.000 0.457 164 D N 1.277 121.720 120.400 0.070 0.000 2.216 164 D HA 0.183 4.822 4.640 -0.001 0.000 0.208 164 D C 0.031 176.344 176.300 0.022 0.000 0.960 164 D CA 1.373 55.354 54.000 -0.031 0.000 0.861 164 D CB 1.113 41.853 40.800 -0.100 0.000 0.985 164 D HN 0.480 nan 8.370 nan 0.000 0.493 165 I N 1.096 121.709 120.570 0.072 0.000 2.499 165 I HA 0.104 4.274 4.170 -0.001 0.000 0.288 165 I C -0.829 175.371 176.117 0.138 0.000 1.048 165 I CA -0.789 60.539 61.300 0.046 0.000 1.062 165 I CB 2.835 40.761 38.000 -0.123 0.000 1.238 165 I HN -0.321 nan 8.210 nan 0.000 0.426 166 D N 6.656 127.149 120.400 0.155 0.000 2.428 166 D HA 0.268 4.908 4.640 -0.001 0.000 0.221 166 D C 0.762 177.078 176.300 0.028 0.000 1.123 166 D CA -0.101 53.947 54.000 0.080 0.000 0.869 166 D CB 1.224 42.120 40.800 0.160 0.000 1.032 166 D HN 0.449 nan 8.370 nan 0.000 0.506 167 L N 2.985 124.198 121.223 -0.017 0.000 2.465 167 L HA 0.132 4.472 4.340 -0.001 0.000 0.224 167 L C 1.609 178.449 176.870 -0.050 0.000 1.145 167 L CA 0.575 55.386 54.840 -0.050 0.000 0.834 167 L CB -0.721 41.264 42.059 -0.123 0.000 0.944 167 L HN 0.664 nan 8.230 nan 0.000 0.451 168 G N -0.175 108.609 108.800 -0.027 0.000 2.632 168 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.224 168 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.224 168 G C -0.253 174.650 174.900 0.005 0.000 1.341 168 G CA -0.406 44.695 45.100 0.003 0.000 0.880 168 G HN 0.222 nan 8.290 nan 0.000 0.566 169 V N -3.067 116.869 119.914 0.037 0.000 2.834 169 V HA 0.760 4.879 4.120 -0.001 0.000 0.301 169 V C 0.261 176.441 176.094 0.143 0.000 1.066 169 V CA -0.148 62.184 62.300 0.054 0.000 1.052 169 V CB 1.538 33.378 31.823 0.029 0.000 1.021 169 V HN 1.577 nan 8.190 nan 0.000 0.480 170 F N 5.408 125.288 119.950 -0.116 0.000 2.794 170 F HA 0.538 5.065 4.527 -0.001 0.000 0.353 170 F C -2.617 173.087 175.800 -0.160 0.000 1.371 170 F CA -2.651 55.259 58.000 -0.149 0.000 1.173 170 F CB 1.507 40.404 39.000 -0.170 0.000 1.693 170 F HN 0.470 nan 8.300 nan 0.000 0.606 171 P HA 0.314 nan 4.420 nan 0.000 0.276 171 P C -0.465 176.615 177.300 -0.368 0.000 1.230 171 P CA 0.156 63.091 63.100 -0.275 0.000 0.776 171 P CB 1.717 33.275 31.700 -0.236 0.000 0.888 172 I N 2.085 122.461 120.570 -0.324 0.000 2.433 172 I HA 0.471 4.640 4.170 -0.001 0.000 0.292 172 I C 0.475 176.510 176.117 -0.138 0.000 1.001 172 I CA -0.395 60.700 61.300 -0.342 0.000 1.119 172 I CB 2.270 40.006 38.000 -0.440 0.000 1.289 172 I HN 0.272 nan 8.210 nan 0.000 0.438 173 T N 3.304 117.797 114.554 -0.101 0.000 2.956 173 T HA 0.302 4.652 4.350 -0.001 0.000 0.312 173 T C -1.225 173.591 174.700 0.192 0.000 1.151 173 T CA -0.788 61.373 62.100 0.100 0.000 1.024 173 T CB 1.182 70.057 68.868 0.011 0.000 1.140 173 T HN 0.690 nan 8.240 nan 0.000 0.473 174 D N 2.130 122.720 120.400 0.318 0.000 2.362 174 D HA 0.238 4.877 4.640 -0.001 0.000 0.238 174 D C -0.805 175.557 176.300 0.103 0.000 1.212 174 D CA 0.118 54.218 54.000 0.166 0.000 0.902 174 D CB 0.210 41.066 40.800 0.093 0.000 1.180 174 D HN 0.444 nan 8.370 nan 0.000 0.445 175 Y N 0.313 120.418 120.300 -0.325 0.000 2.361 175 Y HA 0.379 4.929 4.550 -0.001 0.000 0.328 175 Y C -1.988 173.610 175.900 -0.504 0.000 1.044 175 Y CA -1.314 56.656 58.100 -0.217 0.000 1.085 175 Y CB 0.963 39.367 38.460 -0.093 0.000 1.194 175 Y HN 0.350 nan 8.280 nan 0.000 0.438 176 Y N 5.300 125.400 120.300 -0.332 0.000 2.429 176 Y HA 0.318 4.868 4.550 -0.001 0.000 0.342 176 Y C -0.055 175.559 175.900 -0.476 0.000 1.004 176 Y CA -0.820 57.041 58.100 -0.400 0.000 1.075 176 Y CB 0.983 39.377 38.460 -0.109 0.000 1.214 176 Y HN 0.583 nan 8.280 nan 0.000 0.455 177 Y N -0.068 120.134 120.300 -0.164 0.000 2.395 177 Y HA 0.083 4.633 4.550 -0.000 0.000 0.293 177 Y C 0.995 176.871 175.900 -0.041 0.000 1.123 177 Y CA -0.080 57.930 58.100 -0.150 0.000 1.227 177 Y CB -0.246 38.153 38.460 -0.101 0.000 1.012 177 Y HN 0.327 nan 8.280 nan 0.000 0.552 178 R N 0.428 120.993 120.500 0.110 0.000 2.641 178 R HA 0.441 4.781 4.340 -0.001 0.000 0.269 178 R C 0.319 176.650 176.300 0.052 0.000 1.074 178 R CA -0.025 56.104 56.100 0.048 0.000 1.133 178 R CB 0.454 30.730 30.300 -0.040 0.000 1.029 178 R HN 0.109 nan 8.270 nan 0.000 0.488 179 A N 1.482 124.325 122.820 0.039 0.000 2.332 179 A HA 0.425 4.745 4.320 -0.001 0.000 0.258 179 A C 1.153 178.763 177.584 0.043 0.000 1.087 179 A CA 0.206 52.274 52.037 0.052 0.000 0.802 179 A CB 0.582 19.609 19.000 0.045 0.000 1.042 179 A HN 0.887 nan 8.150 nan 0.000 0.489 180 A N 0.243 123.111 122.820 0.079 0.000 1.883 180 A HA -0.163 4.157 4.320 -0.001 0.000 0.217 180 A C 1.575 179.231 177.584 0.119 0.000 1.186 180 A CA 2.039 54.151 52.037 0.125 0.000 0.624 180 A CB -0.676 18.400 19.000 0.125 0.000 0.822 180 A HN 0.840 nan 8.150 nan 0.000 0.444 181 D N -0.589 119.870 120.400 0.099 0.000 2.178 181 D HA -0.149 4.490 4.640 -0.001 0.000 0.201 181 D C 1.458 177.801 176.300 0.070 0.000 0.980 181 D CA 1.558 55.617 54.000 0.098 0.000 0.842 181 D CB -0.232 40.609 40.800 0.068 0.000 0.948 181 D HN 0.485 nan 8.370 nan 0.000 0.472 182 D N 0.778 121.194 120.400 0.026 0.000 2.117 182 D HA -0.087 4.552 4.640 -0.001 0.000 0.198 182 D C 2.306 178.617 176.300 0.018 0.000 0.982 182 D CA 0.565 54.576 54.000 0.017 0.000 0.828 182 D CB -0.158 40.629 40.800 -0.022 0.000 0.967 182 D HN 0.159 nan 8.370 nan 0.000 0.464 183 L N -0.434 120.728 121.223 -0.102 0.000 2.156 183 L HA -0.087 4.253 4.340 -0.001 0.000 0.208 183 L C 2.576 179.236 176.870 -0.349 0.000 1.095 183 L CA 0.303 54.935 54.840 -0.346 0.000 0.770 183 L CB -0.145 41.507 42.059 -0.679 0.000 0.914 183 L HN -0.011 nan 8.230 nan 0.000 0.439 184 V N -0.505 119.356 119.914 -0.089 0.000 2.295 184 V HA -0.347 3.773 4.120 -0.001 0.000 0.246 184 V C 2.446 178.585 176.094 0.075 0.000 1.049 184 V CA 2.189 64.523 62.300 0.057 0.000 1.024 184 V CB -0.664 31.274 31.823 0.193 0.000 0.648 184 V HN 0.533 nan 8.190 nan 0.000 0.447 185 H N -0.715 118.371 119.070 0.027 0.000 2.352 185 H HA -0.254 4.301 4.556 -0.000 0.000 0.299 185 H C 1.965 177.323 175.328 0.051 0.000 1.097 185 H CA 2.389 58.463 56.048 0.044 0.000 1.311 185 H CB -0.254 29.535 29.762 0.046 0.000 1.377 185 H HN 0.377 nan 8.280 nan 0.000 0.504 186 F N 1.173 121.085 119.950 -0.063 0.000 2.075 186 F HA -0.187 4.340 4.527 0.000 0.000 0.297 186 F C 2.683 178.403 175.800 -0.135 0.000 1.113 186 F CA 2.164 60.099 58.000 -0.110 0.000 1.218 186 F CB -1.045 37.870 39.000 -0.141 0.000 0.984 186 F HN 0.336 nan 8.300 nan 0.000 0.472 187 T N -1.893 112.549 114.554 -0.187 0.000 3.051 187 T HA -0.153 4.197 4.350 -0.001 0.000 0.269 187 T C 1.679 176.390 174.700 0.017 0.000 1.127 187 T CA 1.113 63.096 62.100 -0.195 0.000 1.107 187 T CB -0.597 68.119 68.868 -0.253 0.000 0.898 187 T HN 0.497 nan 8.240 nan 0.000 0.517 188 Q N 1.028 120.812 119.800 -0.027 0.000 2.234 188 Q HA -0.020 4.320 4.340 -0.001 0.000 0.206 188 Q C 1.276 177.254 176.000 -0.035 0.000 0.980 188 Q CA 1.037 56.845 55.803 0.009 0.000 0.869 188 Q CB -0.033 28.646 28.738 -0.099 0.000 0.912 188 Q HN 0.600 nan 8.270 nan 0.000 0.436 189 N N -0.502 118.111 118.700 -0.145 0.000 2.116 189 N HA 0.149 4.889 4.740 -0.001 0.000 0.230 189 N C -0.850 174.553 175.510 -0.179 0.000 1.326 189 N CA 0.080 52.967 53.050 -0.271 0.000 0.867 189 N CB 0.920 39.231 38.487 -0.293 0.000 1.174 189 N HN 0.115 nan 8.380 nan 0.000 0.506 190 N N 0.243 118.879 118.700 -0.105 0.000 2.396 190 N HA 0.316 5.055 4.740 -0.001 0.000 0.275 190 N C -0.914 174.498 175.510 -0.164 0.000 1.218 190 N CA -0.417 52.475 53.050 -0.263 0.000 0.812 190 N CB 2.463 40.278 38.487 -1.120 0.000 1.592 190 N HN -0.060 nan 8.380 nan 0.000 0.480 191 A N 1.656 124.423 122.820 -0.090 0.000 2.531 191 A HA 0.335 4.654 4.320 -0.001 0.000 0.236 191 A C -2.091 175.491 177.584 -0.004 0.000 1.062 191 A CA -0.412 51.569 52.037 -0.095 0.000 0.760 191 A CB -0.616 18.355 19.000 -0.047 0.000 0.995 191 A HN 0.352 nan 8.150 nan 0.000 0.501 192 P HA 0.278 nan 4.420 nan 0.000 0.271 192 P C -2.406 175.028 177.300 0.224 0.000 1.218 192 P CA -0.913 62.250 63.100 0.105 0.000 0.780 192 P CB -0.183 31.638 31.700 0.201 0.000 0.901 193 P HA 0.216 nan 4.420 nan 0.000 0.276 193 P C -0.354 177.201 177.300 0.425 0.000 1.244 193 P CA -0.282 62.969 63.100 0.252 0.000 0.801 193 P CB 0.400 32.181 31.700 0.135 0.000 1.006 194 F N 0.490 120.485 119.950 0.076 0.000 2.545 194 F HA 0.036 4.562 4.527 -0.001 0.000 0.348 194 F C 1.692 177.510 175.800 0.031 0.000 1.163 194 F CA -0.523 57.482 58.000 0.008 0.000 1.331 194 F CB -0.259 38.687 39.000 -0.090 0.000 1.138 194 F HN 0.274 nan 8.300 nan 0.000 0.602 195 S N 1.300 116.995 115.700 -0.008 0.000 2.579 195 S HA 0.065 4.535 4.470 -0.001 0.000 0.275 195 S C 0.702 175.106 174.600 -0.326 0.000 1.345 195 S CA -0.684 57.230 58.200 -0.478 0.000 1.031 195 S CB 0.797 63.686 63.200 -0.517 0.000 0.892 195 S HN 0.559 nan 8.310 nan 0.000 0.529 196 D N 0.831 120.917 120.400 -0.525 0.000 2.224 196 D HA 0.047 4.687 4.640 -0.001 0.000 0.205 196 D C 0.474 176.619 176.300 -0.258 0.000 0.965 196 D CA 1.040 54.761 54.000 -0.466 0.000 0.852 196 D CB -0.116 39.981 40.800 -1.171 0.000 0.947 196 D HN 0.507 nan 8.370 nan 0.000 0.494 197 N N -1.018 117.566 118.700 -0.193 0.000 2.934 197 N HA 0.222 4.962 4.740 -0.001 0.000 0.253 197 N C -1.889 173.630 175.510 0.015 0.000 1.466 197 N CA -0.519 52.532 53.050 0.002 0.000 0.858 197 N CB 2.267 40.851 38.487 0.161 0.000 1.459 197 N HN -0.348 nan 8.380 nan 0.000 0.532 198 V N 2.004 121.925 119.914 0.013 0.000 2.443 198 V HA 0.484 4.603 4.120 -0.001 0.000 0.293 198 V C -0.146 175.879 176.094 -0.116 0.000 1.021 198 V CA -0.667 61.610 62.300 -0.039 0.000 0.848 198 V CB 1.417 33.178 31.823 -0.104 0.000 0.998 198 V HN 0.439 nan 8.190 nan 0.000 0.424 199 L N 5.808 126.943 121.223 -0.147 0.000 2.350 199 L HA 0.590 4.930 4.340 -0.001 0.000 0.275 199 L C -0.522 176.183 176.870 -0.275 0.000 1.099 199 L CA -0.349 54.363 54.840 -0.214 0.000 0.808 199 L CB 1.370 43.272 42.059 -0.262 0.000 1.149 199 L HN 0.472 nan 8.230 nan 0.000 0.442 200 I N 3.288 123.684 120.570 -0.290 0.000 2.410 200 I HA 0.215 4.384 4.170 -0.001 0.000 0.286 200 I C 0.193 176.030 176.117 -0.466 0.000 1.009 200 I CA -0.495 60.528 61.300 -0.463 0.000 1.111 200 I CB 1.372 39.114 38.000 -0.430 0.000 1.262 200 I HN 0.669 nan 8.210 nan 0.000 0.443 201 N N 5.063 123.442 118.700 -0.536 0.000 2.716 201 N HA -0.214 4.526 4.740 -0.001 0.000 0.250 201 N C 0.814 176.213 175.510 -0.185 0.000 1.033 201 N CA 1.412 54.273 53.050 -0.316 0.000 0.727 201 N CB -0.660 37.688 38.487 -0.233 0.000 0.950 201 N HN 1.135 nan 8.380 nan 0.000 0.541 202 G N -2.837 105.848 108.800 -0.192 0.000 2.176 202 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.253 202 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.253 202 G C 0.209 175.021 174.900 -0.147 0.000 0.979 202 G CA 0.992 46.008 45.100 -0.139 0.000 0.641 202 G HN 1.060 nan 8.290 nan 0.000 0.530 203 T N -1.171 113.287 114.554 -0.161 0.000 2.864 203 T HA 0.943 5.293 4.350 -0.001 0.000 0.299 203 T C -0.664 173.951 174.700 -0.141 0.000 1.166 203 T CA 0.859 62.874 62.100 -0.142 0.000 1.007 203 T CB 1.585 70.397 68.868 -0.093 0.000 1.219 203 T HN 1.997 nan 8.240 nan 0.000 0.506 204 A N 1.413 124.149 122.820 -0.141 0.000 2.566 204 A HA 0.690 5.009 4.320 -0.001 0.000 0.290 204 A C -1.622 175.849 177.584 -0.190 0.000 1.071 204 A CA -0.567 51.386 52.037 -0.139 0.000 0.658 204 A CB 0.979 19.919 19.000 -0.101 0.000 1.285 204 A HN 0.810 nan 8.150 nan 0.000 0.427 205 V N 2.135 121.881 119.914 -0.280 0.000 2.481 205 V HA 0.342 4.462 4.120 -0.001 0.000 0.286 205 V C 0.359 176.385 176.094 -0.113 0.000 1.042 205 V CA -0.860 61.269 62.300 -0.285 0.000 0.928 205 V CB 1.651 33.146 31.823 -0.546 0.000 0.986 205 V HN 0.839 nan 8.190 nan 0.000 0.462 206 N N 6.953 125.623 118.700 -0.051 0.000 2.452 206 N HA 0.143 4.882 4.740 -0.001 0.000 0.266 206 N C -1.395 174.126 175.510 0.018 0.000 1.175 206 N CA -1.582 51.481 53.050 0.023 0.000 0.945 206 N CB 1.756 40.262 38.487 0.031 0.000 1.063 206 N HN 0.335 nan 8.380 nan 0.000 0.472 207 P HA -0.057 nan 4.420 nan 0.000 0.223 207 P C 0.315 177.641 177.300 0.043 0.000 1.151 207 P CA 0.940 64.066 63.100 0.042 0.000 0.787 207 P CB 0.587 32.314 31.700 0.046 0.000 0.788 208 N N -0.491 118.236 118.700 0.045 0.000 2.305 208 N HA -0.033 4.706 4.740 -0.001 0.000 0.179 208 N C 1.749 177.273 175.510 0.024 0.000 1.019 208 N CA 1.974 55.046 53.050 0.037 0.000 0.869 208 N CB -0.614 37.899 38.487 0.043 0.000 1.000 208 N HN 0.287 nan 8.380 nan 0.000 0.431 209 T N -3.934 110.629 114.554 0.015 0.000 2.990 209 T HA 0.329 4.679 4.350 -0.001 0.000 0.250 209 T C 1.366 176.066 174.700 0.000 0.000 1.041 209 T CA 0.717 62.819 62.100 0.003 0.000 1.010 209 T CB 0.631 69.493 68.868 -0.011 0.000 1.003 209 T HN 0.238 nan 8.240 nan 0.000 0.499 210 G N 1.494 110.293 108.800 -0.001 0.000 2.179 210 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.260 210 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.260 210 G C -0.169 174.710 174.900 -0.034 0.000 0.977 210 G CA 0.243 45.337 45.100 -0.010 0.000 0.641 210 G HN 0.684 nan 8.290 nan 0.000 0.533 211 E N -0.051 120.126 120.200 -0.038 0.000 2.371 211 E HA 0.508 4.858 4.350 -0.001 0.000 0.257 211 E C 1.003 177.555 176.600 -0.080 0.000 1.134 211 E CA 0.377 56.745 56.400 -0.053 0.000 0.919 211 E CB 0.825 30.493 29.700 -0.052 0.000 1.025 211 E HN 1.497 nan 8.360 nan 0.000 0.438 212 G N 0.748 109.495 108.800 -0.088 0.000 2.500 212 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.209 212 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.209 212 G C -1.332 173.489 174.900 -0.131 0.000 1.283 212 G CA -0.299 44.734 45.100 -0.111 0.000 0.960 212 G HN 0.636 nan 8.290 nan 0.000 0.528 213 Q N -1.560 118.148 119.800 -0.152 0.000 2.418 213 Q HA 0.681 5.021 4.340 -0.001 0.000 0.282 213 Q C -1.541 174.371 176.000 -0.146 0.000 1.044 213 Q CA -1.168 54.560 55.803 -0.125 0.000 0.813 213 Q CB 1.622 30.337 28.738 -0.038 0.000 1.428 213 Q HN 0.695 nan 8.270 nan 0.000 0.402 214 Y N 0.908 121.243 120.300 0.059 0.000 2.346 214 Y HA 0.440 4.990 4.550 -0.001 0.000 0.330 214 Y C 0.818 176.748 175.900 0.050 0.000 1.178 214 Y CA 0.045 58.200 58.100 0.091 0.000 1.331 214 Y CB 0.939 39.516 38.460 0.195 0.000 1.253 214 Y HN 0.776 nan 8.280 nan 0.000 0.529 215 A N 2.946 125.880 122.820 0.189 0.000 2.531 215 A HA 0.112 4.432 4.320 -0.001 0.000 0.236 215 A C 0.049 177.715 177.584 0.136 0.000 1.062 215 A CA -0.098 52.007 52.037 0.112 0.000 0.760 215 A CB -0.166 18.868 19.000 0.057 0.000 0.995 215 A HN 0.741 nan 8.150 nan 0.000 0.501 216 N N 1.785 120.508 118.700 0.038 0.000 2.540 216 N HA 0.404 5.143 4.740 -0.001 0.000 0.275 216 N C -1.613 173.801 175.510 -0.160 0.000 1.053 216 N CA -0.326 52.703 53.050 -0.035 0.000 0.876 216 N CB 1.449 39.921 38.487 -0.026 0.000 1.284 216 N HN 0.249 nan 8.380 nan 0.000 0.518 217 V N 2.805 122.491 119.914 -0.380 0.000 2.350 217 V HA 0.396 4.515 4.120 -0.001 0.000 0.276 217 V C 0.360 176.189 176.094 -0.442 0.000 1.028 217 V CA -0.474 61.450 62.300 -0.627 0.000 0.860 217 V CB 1.209 32.130 31.823 -1.504 0.000 0.990 217 V HN 0.563 nan 8.190 nan 0.000 0.453 218 T N 7.250 121.655 114.554 -0.249 0.000 2.728 218 T HA 0.515 4.864 4.350 -0.001 0.000 0.296 218 T C -0.070 174.507 174.700 -0.204 0.000 0.940 218 T CA -0.126 61.904 62.100 -0.116 0.000 1.013 218 T CB 0.284 69.165 68.868 0.020 0.000 0.912 218 T HN 0.339 nan 8.240 nan 0.000 0.484 219 L N 3.283 124.325 121.223 -0.301 0.000 2.312 219 L HA 0.367 4.706 4.340 -0.001 0.000 0.281 219 L C 0.764 177.509 176.870 -0.208 0.000 1.070 219 L CA -0.719 53.832 54.840 -0.481 0.000 0.805 219 L CB 0.997 42.558 42.059 -0.830 0.000 1.174 219 L HN 0.527 nan 8.230 nan 0.000 0.434 220 T N 3.869 118.526 114.554 0.172 0.000 2.729 220 T HA 0.236 4.585 4.350 -0.001 0.000 0.296 220 T C -2.345 172.388 174.700 0.054 0.000 0.928 220 T CA -1.144 61.015 62.100 0.098 0.000 1.045 220 T CB 0.825 69.754 68.868 0.100 0.000 0.902 220 T HN 0.290 nan 8.240 nan 0.000 0.500 221 P HA 0.177 nan 4.420 nan 0.000 0.262 221 P C 1.056 178.418 177.300 0.103 0.000 1.182 221 P CA 0.868 64.032 63.100 0.107 0.000 0.761 221 P CB 0.302 32.123 31.700 0.202 0.000 0.795 222 G N 1.129 110.005 108.800 0.125 0.000 2.176 222 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.253 222 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.253 222 G C 0.094 175.027 174.900 0.055 0.000 0.979 222 G CA -0.117 45.035 45.100 0.086 0.000 0.641 222 G HN 0.501 nan 8.290 nan 0.000 0.530 223 K N -0.161 120.276 120.400 0.063 0.000 2.295 223 K HA 0.599 4.919 4.320 -0.001 0.000 0.239 223 K C 0.094 176.671 176.600 -0.039 0.000 0.991 223 K CA -0.919 55.333 56.287 -0.059 0.000 0.845 223 K CB 1.328 33.687 32.500 -0.235 0.000 1.197 223 K HN 0.159 nan 8.250 nan 0.000 0.441 224 R N 1.730 122.166 120.500 -0.107 0.000 2.294 224 R HA 0.304 4.644 4.340 -0.001 0.000 0.319 224 R C -0.676 175.579 176.300 -0.075 0.000 0.984 224 R CA -0.630 55.485 56.100 0.025 0.000 0.861 224 R CB 0.701 31.049 30.300 0.080 0.000 1.104 224 R HN 0.556 nan 8.270 nan 0.000 0.451 225 H N 0.992 120.072 119.070 0.017 0.000 2.529 225 H HA 0.291 4.847 4.556 -0.001 0.000 0.348 225 H C -0.249 175.003 175.328 -0.128 0.000 1.079 225 H CA -0.735 55.295 56.048 -0.030 0.000 1.198 225 H CB 1.643 31.367 29.762 -0.063 0.000 1.521 225 H HN 0.251 nan 8.280 nan 0.000 0.514 226 R N 2.742 123.135 120.500 -0.178 0.000 2.308 226 R HA 0.392 4.732 4.340 -0.001 0.000 0.305 226 R C -1.254 174.940 176.300 -0.177 0.000 1.053 226 R CA -0.796 55.090 56.100 -0.357 0.000 0.957 226 R CB 0.400 30.177 30.300 -0.871 0.000 1.022 226 R HN 0.482 nan 8.270 nan 0.000 0.461 227 L N 4.704 125.846 121.223 -0.135 0.000 2.356 227 L HA 0.439 4.779 4.340 -0.001 0.000 0.277 227 L C -0.872 175.960 176.870 -0.063 0.000 0.996 227 L CA -0.391 54.377 54.840 -0.119 0.000 0.822 227 L CB 1.646 43.627 42.059 -0.129 0.000 1.256 227 L HN 0.627 nan 8.230 nan 0.000 0.413 228 R N 6.523 127.000 120.500 -0.037 0.000 2.369 228 R HA 0.495 4.834 4.340 -0.001 0.000 0.310 228 R C -0.834 175.494 176.300 0.047 0.000 1.141 228 R CA -0.329 55.770 56.100 -0.003 0.000 1.116 228 R CB 0.233 30.525 30.300 -0.013 0.000 1.135 228 R HN 0.573 nan 8.270 nan 0.000 0.529 229 I N 4.269 124.884 120.570 0.074 0.000 2.395 229 I HA 0.208 4.377 4.170 -0.001 0.000 0.289 229 I C -0.307 175.794 176.117 -0.027 0.000 1.023 229 I CA -0.607 60.759 61.300 0.109 0.000 1.350 229 I CB 0.755 38.873 38.000 0.196 0.000 1.409 229 I HN 0.227 nan 8.210 nan 0.000 0.507 230 L N 5.763 126.914 121.223 -0.120 0.000 2.354 230 L HA 0.475 4.815 4.340 -0.001 0.000 0.264 230 L C -0.211 176.459 176.870 -0.332 0.000 1.008 230 L CA -0.555 54.104 54.840 -0.303 0.000 0.819 230 L CB 1.313 43.114 42.059 -0.430 0.000 1.339 230 L HN 0.439 nan 8.230 nan 0.000 0.420 231 N N 0.068 118.483 118.700 -0.475 0.000 2.558 231 N HA 0.242 4.982 4.740 -0.001 0.000 0.242 231 N C 0.070 175.081 175.510 -0.832 0.000 0.979 231 N CA -0.272 52.522 53.050 -0.426 0.000 0.931 231 N CB 1.107 39.365 38.487 -0.382 0.000 1.122 231 N HN 0.730 nan 8.380 nan 0.000 0.508 232 T N -0.752 113.350 114.554 -0.753 0.000 3.223 232 T HA 0.253 4.603 4.350 -0.001 0.000 0.259 232 T C 0.513 174.978 174.700 -0.391 0.000 1.015 232 T CA -0.430 61.030 62.100 -1.067 0.000 0.908 232 T CB -0.315 68.101 68.868 -0.753 0.000 1.054 232 T HN 0.167 nan 8.240 nan 0.000 0.567 233 S N 2.203 117.737 115.700 -0.276 0.000 2.587 233 S HA 0.222 4.691 4.470 -0.001 0.000 0.260 233 S C 1.781 176.392 174.600 0.017 0.000 1.353 233 S CA 0.107 58.263 58.200 -0.074 0.000 0.995 233 S CB 0.856 63.930 63.200 -0.210 0.000 0.912 233 S HN 0.727 nan 8.310 nan 0.000 0.568 234 T N -1.634 112.873 114.554 -0.078 0.000 3.044 234 T HA 0.179 4.529 4.350 -0.001 0.000 0.255 234 T C 1.073 175.480 174.700 -0.488 0.000 1.073 234 T CA 0.391 62.256 62.100 -0.392 0.000 1.125 234 T CB 0.091 68.509 68.868 -0.750 0.000 0.908 234 T HN 0.606 nan 8.240 nan 0.000 0.480 235 E N 0.924 120.974 120.200 -0.249 0.000 2.661 235 E HA 0.125 4.475 4.350 -0.001 0.000 0.202 235 E C -0.307 176.264 176.600 -0.048 0.000 0.911 235 E CA -0.128 56.163 56.400 -0.182 0.000 1.581 235 E CB 0.131 29.800 29.700 -0.052 0.000 1.667 235 E HN 0.465 nan 8.360 nan 0.000 0.911 236 N N 1.001 119.644 118.700 -0.095 0.000 2.492 236 N HA 0.051 4.791 4.740 -0.001 0.000 0.262 236 N C -0.889 174.246 175.510 -0.626 0.000 1.202 236 N CA 0.191 53.130 53.050 -0.184 0.000 0.926 236 N CB 0.328 38.713 38.487 -0.170 0.000 1.078 236 N HN 0.114 nan 8.380 nan 0.000 0.454 237 H N 1.712 120.490 119.070 -0.486 0.000 2.476 237 H HA 0.373 4.929 4.556 -0.000 0.000 0.328 237 H C -0.828 174.134 175.328 -0.610 0.000 1.073 237 H CA -0.258 55.427 56.048 -0.606 0.000 1.229 237 H CB 0.461 30.116 29.762 -0.179 0.000 1.432 237 H HN 0.331 nan 8.280 nan 0.000 0.477 238 F N 0.952 120.644 119.950 -0.429 0.000 2.492 238 F HA 0.415 4.941 4.527 -0.000 0.000 0.327 238 F C 0.304 175.841 175.800 -0.438 0.000 1.079 238 F CA -0.959 56.742 58.000 -0.498 0.000 0.967 238 F CB 1.431 40.171 39.000 -0.434 0.000 1.169 238 F HN 0.403 nan 8.300 nan 0.000 0.472 239 Q N 1.764 121.475 119.800 -0.149 0.000 2.282 239 Q HA 0.695 5.035 4.340 -0.001 0.000 0.260 239 Q C -0.997 174.862 176.000 -0.235 0.000 0.964 239 Q CA -1.064 54.642 55.803 -0.161 0.000 0.880 239 Q CB 2.702 31.413 28.738 -0.044 0.000 1.286 239 Q HN 0.559 nan 8.270 nan 0.000 0.445 240 V N -1.075 118.677 119.914 -0.269 0.000 2.769 240 V HA 0.957 5.076 4.120 -0.001 0.000 0.312 240 V C -0.603 175.227 176.094 -0.440 0.000 1.061 240 V CA -0.625 61.410 62.300 -0.442 0.000 0.931 240 V CB 1.851 33.441 31.823 -0.387 0.000 1.010 240 V HN 0.868 nan 8.190 nan 0.000 0.433 241 S N 3.631 118.958 115.700 -0.621 0.000 2.547 241 S HA 0.789 5.258 4.470 -0.001 0.000 0.270 241 S C -1.454 172.843 174.600 -0.504 0.000 1.150 241 S CA -0.748 57.203 58.200 -0.415 0.000 0.850 241 S CB 1.754 64.830 63.200 -0.207 0.000 1.118 241 S HN 1.635 nan 8.310 nan 0.000 0.461 242 L N 2.445 123.489 121.223 -0.298 0.000 2.325 242 L HA 0.643 4.982 4.340 -0.001 0.000 0.281 242 L C -0.716 176.125 176.870 -0.047 0.000 1.004 242 L CA -0.681 54.027 54.840 -0.220 0.000 0.823 242 L CB 1.546 43.404 42.059 -0.335 0.000 1.236 242 L HN 0.724 nan 8.230 nan 0.000 0.415 243 V N 6.569 126.526 119.914 0.072 0.000 2.617 243 V HA 0.029 4.149 4.120 -0.001 0.000 0.304 243 V C 0.956 177.159 176.094 0.181 0.000 1.040 243 V CA 0.604 63.000 62.300 0.160 0.000 1.149 243 V CB -0.015 31.977 31.823 0.282 0.000 0.914 243 V HN 1.044 nan 8.190 nan 0.000 0.487 244 N N 1.730 120.475 118.700 0.075 0.000 2.828 244 N HA -0.178 4.561 4.740 -0.001 0.000 0.248 244 N C -0.417 174.937 175.510 -0.260 0.000 1.044 244 N CA 1.400 54.410 53.050 -0.068 0.000 0.851 244 N CB -1.272 37.164 38.487 -0.084 0.000 1.136 244 N HN 0.941 nan 8.380 nan 0.000 0.572 245 H N -1.833 117.126 119.070 -0.184 0.000 2.717 245 H HA 0.538 5.094 4.556 -0.001 0.000 0.366 245 H C 0.297 175.552 175.328 -0.121 0.000 1.132 245 H CA -0.193 55.754 56.048 -0.168 0.000 1.180 245 H CB 1.259 30.895 29.762 -0.211 0.000 1.678 245 H HN 0.102 nan 8.280 nan 0.000 0.537 246 T N -0.195 114.364 114.554 0.008 0.000 2.788 246 T HA 0.566 4.915 4.350 -0.001 0.000 0.280 246 T C 0.219 174.916 174.700 -0.005 0.000 0.984 246 T CA -0.889 61.205 62.100 -0.010 0.000 0.972 246 T CB 0.731 69.587 68.868 -0.020 0.000 1.039 246 T HN 0.415 nan 8.240 nan 0.000 0.530 247 M N 1.226 120.809 119.600 -0.028 0.000 2.326 247 M HA 0.341 4.820 4.480 -0.001 0.000 0.306 247 M C -0.807 175.475 176.300 -0.030 0.000 1.054 247 M CA -0.621 54.661 55.300 -0.031 0.000 0.922 247 M CB 2.597 35.165 32.600 -0.052 0.000 1.632 247 M HN 0.632 nan 8.290 nan 0.000 0.436 248 T N 2.758 117.304 114.554 -0.013 0.000 2.753 248 T HA 0.379 4.728 4.350 -0.001 0.000 0.297 248 T C 0.010 174.707 174.700 -0.006 0.000 0.981 248 T CA -0.526 61.571 62.100 -0.006 0.000 0.956 248 T CB 0.633 69.510 68.868 0.016 0.000 0.936 248 T HN 0.380 nan 8.240 nan 0.000 0.463 249 V N 5.866 125.768 119.914 -0.019 0.000 2.529 249 V HA 0.138 4.258 4.120 -0.001 0.000 0.292 249 V C 1.387 177.507 176.094 0.045 0.000 1.028 249 V CA 0.296 62.602 62.300 0.009 0.000 1.074 249 V CB 0.067 31.880 31.823 -0.017 0.000 0.958 249 V HN 0.921 nan 8.190 nan 0.000 0.481 250 I N 1.576 122.179 120.570 0.056 0.000 4.327 250 I HA 0.768 4.938 4.170 -0.001 0.000 0.331 250 I C 0.523 176.673 176.117 0.055 0.000 1.348 250 I CA 0.022 61.357 61.300 0.059 0.000 1.152 250 I CB 0.567 38.601 38.000 0.056 0.000 1.151 250 I HN 0.535 nan 8.210 nan 0.000 0.410 251 A N 1.391 124.252 122.820 0.068 0.000 2.589 251 A HA 0.875 5.195 4.320 -0.001 0.000 0.296 251 A C -1.286 176.341 177.584 0.070 0.000 1.062 251 A CA -0.164 51.889 52.037 0.026 0.000 0.686 251 A CB 1.421 20.391 19.000 -0.050 0.000 1.282 251 A HN 0.366 nan 8.150 nan 0.000 0.404 252 A N 2.086 124.895 122.820 -0.019 0.000 2.319 252 A HA 0.724 5.044 4.320 -0.001 0.000 0.310 252 A C 0.157 177.600 177.584 -0.236 0.000 1.152 252 A CA 0.107 52.040 52.037 -0.173 0.000 0.783 252 A CB 0.120 19.099 19.000 -0.035 0.000 1.184 252 A HN 1.145 nan 8.150 nan 0.000 0.474 253 D N 0.429 120.634 120.400 -0.325 0.000 3.608 253 D HA -0.266 4.374 4.640 -0.001 0.000 0.152 253 D C 0.510 176.699 176.300 -0.186 0.000 0.971 253 D CA 2.144 56.014 54.000 -0.217 0.000 1.072 253 D CB -0.532 40.171 40.800 -0.163 0.000 0.507 253 D HN 0.656 nan 8.370 nan 0.000 0.520 254 M N 0.968 120.457 119.600 -0.186 0.000 2.859 254 M HA 0.353 4.833 4.480 -0.001 0.000 0.297 254 M C -1.020 175.061 176.300 -0.365 0.000 1.268 254 M CA 0.187 55.330 55.300 -0.262 0.000 1.003 254 M CB 0.404 32.858 32.600 -0.242 0.000 1.308 254 M HN 0.143 nan 8.290 nan 0.000 0.502 255 V N 1.412 121.162 119.914 -0.274 0.000 2.447 255 V HA 0.465 4.584 4.120 -0.001 0.000 0.292 255 V C -2.358 173.633 176.094 -0.172 0.000 1.021 255 V CA -1.731 60.430 62.300 -0.233 0.000 0.850 255 V CB 1.582 33.359 31.823 -0.076 0.000 1.005 255 V HN 0.226 nan 8.190 nan 0.000 0.426 256 P HA 0.178 nan 4.420 nan 0.000 0.265 256 P C -0.540 176.771 177.300 0.018 0.000 1.193 256 P CA 0.321 63.380 63.100 -0.067 0.000 0.765 256 P CB 0.737 32.420 31.700 -0.029 0.000 0.823 257 V N 0.386 120.325 119.914 0.043 0.000 3.074 257 V HA 0.565 4.685 4.120 -0.001 0.000 0.314 257 V C -0.162 175.973 176.094 0.068 0.000 1.117 257 V CA -1.226 61.112 62.300 0.064 0.000 1.014 257 V CB 1.965 33.833 31.823 0.076 0.000 1.057 257 V HN 0.251 nan 8.190 nan 0.000 0.438 258 N N 1.620 120.360 118.700 0.066 0.000 2.441 258 N HA 0.332 5.072 4.740 -0.001 0.000 0.251 258 N C 0.401 175.945 175.510 0.056 0.000 1.242 258 N CA 0.641 53.727 53.050 0.061 0.000 0.898 258 N CB 1.097 39.616 38.487 0.054 0.000 1.100 258 N HN 1.241 nan 8.380 nan 0.000 0.443 259 A N 2.052 124.904 122.820 0.053 0.000 2.540 259 A HA 0.152 4.472 4.320 -0.001 0.000 0.239 259 A C 0.394 177.998 177.584 0.034 0.000 1.061 259 A CA 0.339 52.404 52.037 0.046 0.000 0.758 259 A CB -0.130 18.898 19.000 0.047 0.000 0.991 259 A HN 0.758 nan 8.150 nan 0.000 0.502 260 M N 3.368 122.983 119.600 0.024 0.000 2.122 260 M HA 0.270 4.750 4.480 -0.001 0.000 0.269 260 M C -1.000 175.296 176.300 -0.007 0.000 0.954 260 M CA -0.109 55.197 55.300 0.011 0.000 0.998 260 M CB 1.487 34.095 32.600 0.013 0.000 1.755 260 M HN 0.633 nan 8.290 nan 0.000 0.459 261 T N 4.539 119.089 114.554 -0.006 0.000 2.817 261 T HA 0.590 4.940 4.350 -0.001 0.000 0.293 261 T C -0.288 174.398 174.700 -0.024 0.000 0.964 261 T CA -0.470 61.621 62.100 -0.014 0.000 1.085 261 T CB 0.908 69.772 68.868 -0.007 0.000 0.921 261 T HN 0.595 nan 8.240 nan 0.000 0.502 262 V N 0.401 120.293 119.914 -0.036 0.000 3.130 262 V HA 0.598 4.717 4.120 -0.001 0.000 0.310 262 V C -0.270 175.803 176.094 -0.035 0.000 1.158 262 V CA -0.869 61.409 62.300 -0.036 0.000 1.029 262 V CB 2.396 34.187 31.823 -0.053 0.000 1.057 262 V HN 0.594 nan 8.190 nan 0.000 0.436 263 D N 1.092 121.478 120.400 -0.023 0.000 2.327 263 D HA 0.194 4.833 4.640 -0.001 0.000 0.205 263 D C 0.826 177.107 176.300 -0.032 0.000 0.989 263 D CA 1.540 55.524 54.000 -0.027 0.000 0.873 263 D CB 0.857 41.645 40.800 -0.019 0.000 0.955 263 D HN 0.927 nan 8.370 nan 0.000 0.515 264 S N -0.701 114.999 115.700 0.000 0.000 2.565 264 S HA 0.659 5.129 4.470 -0.001 0.000 0.269 264 S C -1.172 173.410 174.600 -0.031 0.000 1.153 264 S CA -0.952 57.243 58.200 -0.008 0.000 0.835 264 S CB 1.918 65.182 63.200 0.106 0.000 1.122 264 S HN -0.011 nan 8.310 nan 0.000 0.462 265 L N 1.608 122.715 121.223 -0.193 0.000 2.401 265 L HA 0.654 4.993 4.340 -0.001 0.000 0.266 265 L C -1.410 175.237 176.870 -0.372 0.000 0.991 265 L CA -0.753 53.913 54.840 -0.290 0.000 0.818 265 L CB 2.101 43.974 42.059 -0.310 0.000 1.321 265 L HN 0.827 nan 8.230 nan 0.000 0.413 266 F N 3.480 123.125 119.950 -0.509 0.000 2.415 266 F HA 0.611 5.137 4.527 -0.000 0.000 0.348 266 F C -1.102 174.705 175.800 0.011 0.000 1.119 266 F CA -0.504 57.304 58.000 -0.319 0.000 1.069 266 F CB 0.933 39.776 39.000 -0.262 0.000 1.124 266 F HN 0.168 nan 8.300 nan 0.000 0.472 267 L N 6.826 127.685 121.223 -0.607 0.000 2.316 267 L HA 0.603 4.943 4.340 -0.001 0.000 0.280 267 L C 0.212 176.540 176.870 -0.904 0.000 1.006 267 L CA -0.398 54.151 54.840 -0.486 0.000 0.836 267 L CB 1.186 43.111 42.059 -0.224 0.000 1.221 267 L HN 0.799 nan 8.230 nan 0.000 0.418 268 A N 3.068 125.506 122.820 -0.637 0.000 2.386 268 A HA 0.432 4.751 4.320 -0.001 0.000 0.246 268 A C 0.264 177.449 177.584 -0.665 0.000 1.089 268 A CA -0.451 51.278 52.037 -0.513 0.000 0.790 268 A CB 0.261 19.260 19.000 -0.002 0.000 1.042 268 A HN 0.418 nan 8.150 nan 0.000 0.497 269 V N 1.501 120.862 119.914 -0.923 0.000 2.584 269 V HA 0.324 4.444 4.120 -0.001 0.000 0.303 269 V C 1.676 177.432 176.094 -0.564 0.000 1.035 269 V CA 1.964 63.845 62.300 -0.699 0.000 1.172 269 V CB -0.358 31.145 31.823 -0.534 0.000 0.896 269 V HN 1.987 nan 8.190 nan 0.000 0.486 270 G N 3.377 111.736 108.800 -0.736 0.000 2.217 270 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.246 270 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.246 270 G C 0.207 174.795 174.900 -0.521 0.000 0.990 270 G CA 0.219 44.890 45.100 -0.714 0.000 0.627 270 G HN 0.644 nan 8.290 nan 0.000 0.522 271 Q N -0.056 119.477 119.800 -0.445 0.000 2.306 271 Q HA 0.683 5.023 4.340 -0.001 0.000 0.241 271 Q C 0.206 175.952 176.000 -0.423 0.000 0.948 271 Q CA -0.104 55.483 55.803 -0.359 0.000 0.886 271 Q CB 0.671 29.223 28.738 -0.311 0.000 1.227 271 Q HN 0.378 nan 8.270 nan 0.000 0.457 272 R N 0.643 120.897 120.500 -0.410 0.000 2.807 272 R HA 0.535 4.875 4.340 -0.001 0.000 0.276 272 R C -1.610 174.409 176.300 -0.467 0.000 0.979 272 R CA -0.539 55.357 56.100 -0.339 0.000 0.928 272 R CB 1.239 31.395 30.300 -0.241 0.000 1.191 272 R HN 0.469 nan 8.270 nan 0.000 0.471 273 Y N -0.224 120.028 120.300 -0.079 0.000 2.421 273 Y HA 0.326 4.876 4.550 -0.001 0.000 0.339 273 Y C -0.759 175.113 175.900 -0.047 0.000 0.996 273 Y CA -1.065 57.004 58.100 -0.051 0.000 1.046 273 Y CB 2.176 40.617 38.460 -0.032 0.000 1.226 273 Y HN 0.525 nan 8.280 nan 0.000 0.445 274 D N 2.585 123.053 120.400 0.113 0.000 2.249 274 D HA 0.514 5.154 4.640 -0.001 0.000 0.246 274 D C -0.737 175.585 176.300 0.037 0.000 1.114 274 D CA -0.103 53.915 54.000 0.031 0.000 0.854 274 D CB 1.232 42.019 40.800 -0.022 0.000 1.132 274 D HN 0.335 nan 8.370 nan 0.000 0.461 275 V N -0.305 119.607 119.914 -0.002 0.000 3.074 275 V HA 0.744 4.863 4.120 -0.001 0.000 0.314 275 V C -0.641 175.421 176.094 -0.053 0.000 1.117 275 V CA -0.882 61.410 62.300 -0.014 0.000 1.014 275 V CB 2.044 33.865 31.823 -0.003 0.000 1.057 275 V HN 0.202 nan 8.190 nan 0.000 0.438 276 V N 3.484 123.381 119.914 -0.028 0.000 2.448 276 V HA 0.553 4.672 4.120 -0.001 0.000 0.295 276 V C -0.260 175.848 176.094 0.023 0.000 1.025 276 V CA -0.278 62.014 62.300 -0.014 0.000 0.859 276 V CB 1.382 33.218 31.823 0.022 0.000 0.988 276 V HN 0.778 nan 8.190 nan 0.000 0.431 277 I N 3.917 124.517 120.570 0.049 0.000 2.378 277 I HA 0.425 4.595 4.170 -0.001 0.000 0.291 277 I C -0.775 175.428 176.117 0.144 0.000 0.992 277 I CA -0.587 60.748 61.300 0.058 0.000 1.154 277 I CB 1.870 39.857 38.000 -0.020 0.000 1.315 277 I HN 0.487 nan 8.210 nan 0.000 0.448 278 D N 5.994 126.475 120.400 0.134 0.000 2.313 278 D HA 0.285 4.925 4.640 -0.001 0.000 0.239 278 D C 0.213 176.621 176.300 0.180 0.000 1.142 278 D CA -0.203 53.888 54.000 0.152 0.000 0.847 278 D CB 1.948 42.804 40.800 0.095 0.000 1.082 278 D HN 0.552 nan 8.370 nan 0.000 0.480 279 A N 1.922 124.845 122.820 0.171 0.000 3.063 279 A HA 0.208 4.528 4.320 -0.001 0.000 0.263 279 A C 1.171 178.920 177.584 0.274 0.000 1.736 279 A CA -0.312 51.799 52.037 0.123 0.000 1.408 279 A CB -0.492 18.376 19.000 -0.220 0.000 1.108 279 A HN 0.410 nan 8.150 nan 0.000 0.621 280 S N 0.045 115.871 115.700 0.210 0.000 2.540 280 S HA 0.198 4.667 4.470 -0.001 0.000 0.218 280 S C 0.863 175.491 174.600 0.047 0.000 0.977 280 S CA -0.450 57.813 58.200 0.105 0.000 0.918 280 S CB 0.386 63.602 63.200 0.027 0.000 0.806 280 S HN 0.555 nan 8.310 nan 0.000 0.496 281 R N 1.750 122.270 120.500 0.034 0.000 2.606 281 R HA 0.725 5.065 4.340 -0.001 0.000 0.249 281 R C 0.281 176.495 176.300 -0.144 0.000 1.127 281 R CA -0.367 55.651 56.100 -0.136 0.000 1.133 281 R CB -0.324 29.725 30.300 -0.417 0.000 1.243 281 R HN 0.263 nan 8.270 nan 0.000 0.558 282 A N 2.818 125.557 122.820 -0.135 0.000 2.511 282 A HA 0.237 4.557 4.320 -0.001 0.000 0.242 282 A C -1.863 175.488 177.584 -0.387 0.000 1.069 282 A CA -0.882 51.060 52.037 -0.157 0.000 0.763 282 A CB -0.685 18.267 19.000 -0.081 0.000 1.001 282 A HN 0.346 nan 8.150 nan 0.000 0.498 283 P HA 0.234 nan 4.420 nan 0.000 0.267 283 P C -0.612 176.476 177.300 -0.353 0.000 1.209 283 P CA 0.457 63.267 63.100 -0.484 0.000 0.763 283 P CB 0.858 32.498 31.700 -0.100 0.000 0.816 284 D N 1.914 122.087 120.400 -0.378 0.000 2.827 284 D HA 0.159 4.798 4.640 -0.001 0.000 0.336 284 D C -1.309 174.796 176.300 -0.326 0.000 1.374 284 D CA -0.418 53.348 54.000 -0.389 0.000 0.794 284 D CB 0.845 41.258 40.800 -0.645 0.000 1.364 284 D HN 0.154 nan 8.370 nan 0.000 0.464 285 N N 0.715 119.158 118.700 -0.429 0.000 2.419 285 N HA 0.363 5.103 4.740 -0.001 0.000 0.277 285 N C -1.053 174.106 175.510 -0.584 0.000 1.006 285 N CA -0.088 52.784 53.050 -0.297 0.000 0.923 285 N CB 0.991 39.334 38.487 -0.240 0.000 1.140 285 N HN 0.246 nan 8.380 nan 0.000 0.488 286 Y N -0.005 120.266 120.300 -0.049 0.000 2.429 286 Y HA 0.345 4.894 4.550 -0.001 0.000 0.342 286 Y C -0.090 175.786 175.900 -0.040 0.000 1.004 286 Y CA -0.905 57.161 58.100 -0.056 0.000 1.075 286 Y CB 1.256 39.750 38.460 0.056 0.000 1.214 286 Y HN 0.410 nan 8.280 nan 0.000 0.455 287 W N 3.308 124.707 121.300 0.166 0.000 2.238 287 W HA 0.272 4.932 4.660 -0.000 0.000 0.321 287 W C -0.506 176.090 176.519 0.128 0.000 1.293 287 W CA -0.490 56.925 57.345 0.116 0.000 1.204 287 W CB 0.419 29.894 29.460 0.025 0.000 1.167 287 W HN 0.376 nan 8.180 nan 0.000 0.553 288 F N 4.685 124.816 119.950 0.303 0.000 2.371 288 F HA 0.324 4.851 4.527 -0.001 0.000 0.363 288 F C -0.238 175.634 175.800 0.120 0.000 1.122 288 F CA -0.677 57.382 58.000 0.098 0.000 1.129 288 F CB 0.025 39.104 39.000 0.131 0.000 1.173 288 F HN 0.270 nan 8.300 nan 0.000 0.489 289 N N 3.953 122.520 118.700 -0.221 0.000 2.430 289 N HA 0.496 5.236 4.740 -0.001 0.000 0.292 289 N C -1.397 173.915 175.510 -0.331 0.000 1.051 289 N CA -0.656 52.286 53.050 -0.179 0.000 0.917 289 N CB 2.048 40.448 38.487 -0.145 0.000 1.164 289 N HN 0.278 nan 8.380 nan 0.000 0.484 290 V N 1.797 121.574 119.914 -0.229 0.000 2.370 290 V HA 0.484 4.603 4.120 -0.001 0.000 0.279 290 V C 0.237 176.149 176.094 -0.304 0.000 1.029 290 V CA -0.371 61.725 62.300 -0.339 0.000 0.870 290 V CB 0.752 32.305 31.823 -0.451 0.000 0.984 290 V HN 0.876 nan 8.190 nan 0.000 0.451 291 T N 1.755 116.107 114.554 -0.336 0.000 2.907 291 T HA 0.797 5.146 4.350 -0.001 0.000 0.290 291 T C -0.940 173.499 174.700 -0.434 0.000 1.066 291 T CA -0.652 61.306 62.100 -0.238 0.000 1.012 291 T CB 1.833 70.666 68.868 -0.058 0.000 1.184 291 T HN 0.117 nan 8.240 nan 0.000 0.522 292 F N -0.248 119.738 119.950 0.060 0.000 2.508 292 F HA 0.764 5.290 4.527 -0.001 0.000 0.325 292 F C 0.899 176.751 175.800 0.087 0.000 1.090 292 F CA -0.398 57.647 58.000 0.074 0.000 0.945 292 F CB 2.324 41.319 39.000 -0.010 0.000 1.156 292 F HN 1.073 nan 8.300 nan 0.000 0.463 293 G N -0.391 108.583 108.800 0.290 0.000 3.175 293 G HA2 0.485 4.445 3.960 -0.001 0.000 0.255 293 G HA3 0.485 4.445 3.960 -0.001 0.000 0.255 293 G C 0.461 175.457 174.900 0.160 0.000 1.352 293 G CA -0.627 44.592 45.100 0.198 0.000 1.037 293 G HN 1.248 nan 8.290 nan 0.000 0.556 294 G N -1.039 107.813 108.800 0.088 0.000 2.179 294 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.257 294 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.257 294 G C 0.650 175.584 174.900 0.058 0.000 1.010 294 G CA 0.807 45.937 45.100 0.050 0.000 0.736 294 G HN 1.274 nan 8.290 nan 0.000 0.513 295 Q N -3.161 116.682 119.800 0.072 0.000 2.439 295 Q HA -0.226 4.114 4.340 -0.001 0.000 0.325 295 Q C 1.542 177.590 176.000 0.080 0.000 1.372 295 Q CA 2.178 58.024 55.803 0.071 0.000 0.909 295 Q CB -2.227 26.541 28.738 0.050 0.000 1.167 295 Q HN 2.439 nan 8.270 nan 0.000 0.418 296 A N -2.257 120.619 122.820 0.092 0.000 3.396 296 A HA -0.298 4.021 4.320 -0.001 0.000 0.267 296 A C 1.600 179.225 177.584 0.068 0.000 1.139 296 A CA 2.037 54.128 52.037 0.089 0.000 1.115 296 A CB -1.922 17.196 19.000 0.197 0.000 1.133 296 A HN 1.382 nan 8.150 nan 0.000 0.920 297 A N -0.910 121.937 122.820 0.046 0.000 2.121 297 A HA 0.158 4.478 4.320 -0.001 0.000 0.218 297 A C 1.695 179.258 177.584 -0.035 0.000 1.154 297 A CA 1.982 54.029 52.037 0.017 0.000 0.679 297 A CB -1.071 17.931 19.000 0.003 0.000 0.795 297 A HN 2.141 nan 8.150 nan 0.000 0.458 298 c N -3.423 115.149 118.600 -0.046 0.000 2.913 298 c HA 0.660 5.229 4.570 -0.001 0.000 0.246 298 c C 0.732 174.823 174.090 0.002 0.000 1.857 298 c CA -0.537 55.683 56.329 -0.181 0.000 1.690 298 c CB -0.913 41.291 42.510 -0.510 0.000 3.235 298 c HN 1.651 nan 8.230 nan 0.000 0.475 299 G N -0.565 108.228 108.800 -0.012 0.000 2.459 299 G HA2 0.512 4.471 3.960 -0.001 0.000 0.685 299 G HA3 0.512 4.471 3.960 -0.001 0.000 0.685 299 G C -0.536 173.925 174.900 -0.732 0.000 1.303 299 G CA 0.063 45.074 45.100 -0.148 0.000 0.907 299 G HN 1.889 nan 8.290 nan 0.000 0.632 300 G N -1.383 106.571 108.800 -1.411 0.000 2.649 300 G HA2 0.885 4.845 3.960 -0.001 0.000 0.290 300 G HA3 0.885 4.845 3.960 -0.001 0.000 0.290 300 G C -0.959 172.796 174.900 -1.907 0.000 1.426 300 G CA 0.798 44.297 45.100 -2.667 0.000 0.794 300 G HN 1.803 nan 8.290 nan 0.000 0.483 301 S N -1.139 113.748 115.700 -1.354 0.000 2.542 301 S HA 0.495 4.964 4.470 -0.001 0.000 0.293 301 S C 1.017 175.581 174.600 -0.059 0.000 1.089 301 S CA -0.768 57.191 58.200 -0.401 0.000 0.961 301 S CB 1.434 64.610 63.200 -0.040 0.000 1.062 301 S HN 0.493 nan 8.310 nan 0.000 0.483 302 L N 2.282 123.550 121.223 0.076 0.000 2.478 302 L HA 0.135 4.474 4.340 -0.001 0.000 0.223 302 L C 0.994 177.887 176.870 0.039 0.000 1.140 302 L CA 0.240 55.145 54.840 0.107 0.000 0.842 302 L CB -0.391 41.708 42.059 0.067 0.000 0.953 302 L HN 0.539 nan 8.230 nan 0.000 0.452 303 N N 1.625 120.334 118.700 0.015 0.000 2.405 303 N HA 0.055 4.794 4.740 -0.001 0.000 0.260 303 N C -1.611 173.882 175.510 -0.029 0.000 1.152 303 N CA -1.806 51.250 53.050 0.009 0.000 0.948 303 N CB 1.212 39.713 38.487 0.024 0.000 1.111 303 N HN -0.075 nan 8.380 nan 0.000 0.485 304 P HA -0.023 nan 4.420 nan 0.000 0.229 304 P C -0.593 176.379 177.300 -0.547 0.000 1.160 304 P CA 1.145 64.045 63.100 -0.332 0.000 0.777 304 P CB 0.259 31.675 31.700 -0.473 0.000 0.814 305 H N -0.837 118.238 119.070 0.007 0.000 2.514 305 H HA 0.297 4.852 4.556 -0.001 0.000 0.226 305 H C -2.520 172.768 175.328 -0.065 0.000 1.421 305 H CA -2.042 53.972 56.048 -0.057 0.000 1.394 305 H CB 0.493 30.173 29.762 -0.137 0.000 1.701 305 H HN 0.160 nan 8.280 nan 0.000 0.515 306 P HA 0.385 nan 4.420 nan 0.000 0.271 306 P C -0.301 177.015 177.300 0.027 0.000 1.216 306 P CA -0.012 63.103 63.100 0.024 0.000 0.771 306 P CB 1.451 33.129 31.700 -0.037 0.000 0.864 307 A N 1.545 124.446 122.820 0.135 0.000 2.601 307 A HA 0.791 5.111 4.320 -0.001 0.000 0.291 307 A C -1.557 176.289 177.584 0.436 0.000 1.075 307 A CA -0.344 51.830 52.037 0.227 0.000 0.671 307 A CB 1.291 20.294 19.000 0.005 0.000 1.277 307 A HN 0.574 nan 8.150 nan 0.000 0.417 308 A N -0.059 123.089 122.820 0.546 0.000 2.435 308 A HA 0.885 5.205 4.320 -0.001 0.000 0.296 308 A C -0.987 176.933 177.584 0.561 0.000 1.147 308 A CA -0.556 51.801 52.037 0.533 0.000 0.775 308 A CB 0.848 20.145 19.000 0.495 0.000 1.340 308 A HN 0.877 nan 8.150 nan 0.000 0.427 309 I N 0.458 121.245 120.570 0.361 0.000 2.404 309 I HA 0.364 4.533 4.170 -0.001 0.000 0.293 309 I C -1.398 174.868 176.117 0.248 0.000 0.992 309 I CA -0.167 61.261 61.300 0.212 0.000 1.149 309 I CB 1.438 39.420 38.000 -0.030 0.000 1.315 309 I HN 0.448 nan 8.210 nan 0.000 0.446 310 F N 4.715 124.698 119.950 0.054 0.000 2.361 310 F HA 0.281 4.807 4.527 -0.001 0.000 0.364 310 F C 0.241 176.111 175.800 0.117 0.000 1.120 310 F CA -0.625 57.388 58.000 0.021 0.000 1.102 310 F CB 0.409 39.381 39.000 -0.046 0.000 1.183 310 F HN 0.407 nan 8.300 nan 0.000 0.476 311 H N 3.452 122.547 119.070 0.042 0.000 2.541 311 H HA 0.360 4.915 4.556 -0.001 0.000 0.316 311 H C -1.299 174.109 175.328 0.133 0.000 1.043 311 H CA -0.651 55.441 56.048 0.073 0.000 1.232 311 H CB 0.425 30.172 29.762 -0.025 0.000 1.406 311 H HN 0.402 nan 8.280 nan 0.000 0.469 312 Y N 3.517 123.547 120.300 -0.451 0.000 2.465 312 Y HA 0.277 4.826 4.550 -0.001 0.000 0.331 312 Y C 0.846 176.382 175.900 -0.607 0.000 1.102 312 Y CA 0.051 57.941 58.100 -0.350 0.000 1.358 312 Y CB 0.338 38.718 38.460 -0.135 0.000 1.213 312 Y HN 0.845 nan 8.280 nan 0.000 0.525 313 A N 2.720 125.436 122.820 -0.173 0.000 2.540 313 A HA 0.394 4.713 4.320 -0.001 0.000 0.239 313 A C 1.466 179.049 177.584 -0.002 0.000 1.061 313 A CA 0.808 52.820 52.037 -0.041 0.000 0.758 313 A CB -0.785 18.233 19.000 0.030 0.000 0.991 313 A HN 1.516 nan 8.150 nan 0.000 0.502 314 G N 0.566 109.413 108.800 0.079 0.000 2.241 314 G HA2 0.127 4.087 3.960 -0.001 0.000 0.244 314 G HA3 0.127 4.087 3.960 -0.001 0.000 0.244 314 G C 0.689 175.620 174.900 0.051 0.000 0.998 314 G CA 0.632 45.771 45.100 0.066 0.000 0.621 314 G HN 2.190 nan 8.290 nan 0.000 0.519 315 A N 0.834 123.652 122.820 -0.004 0.000 2.296 315 A HA 0.757 5.077 4.320 -0.001 0.000 0.264 315 A C -1.195 176.477 177.584 0.148 0.000 1.097 315 A CA -0.472 51.568 52.037 0.005 0.000 0.811 315 A CB 0.015 18.948 19.000 -0.111 0.000 1.072 315 A HN 0.230 nan 8.150 nan 0.000 0.495 316 P HA 0.226 nan 4.420 nan 0.000 0.270 316 P C 0.641 178.016 177.300 0.124 0.000 1.227 316 P CA 0.442 63.586 63.100 0.073 0.000 0.788 316 P CB 0.302 32.004 31.700 0.004 0.000 0.926 317 G N -0.681 108.128 108.800 0.014 0.000 2.516 317 G HA2 0.518 4.477 3.960 -0.001 0.000 0.276 317 G HA3 0.518 4.477 3.960 -0.001 0.000 0.276 317 G C 0.115 174.976 174.900 -0.065 0.000 1.390 317 G CA -0.060 44.995 45.100 -0.076 0.000 1.050 317 G HN 0.848 nan 8.290 nan 0.000 0.519 318 G N -2.348 106.402 108.800 -0.083 0.000 2.710 318 G HA2 -0.007 3.953 3.960 -0.001 0.000 0.668 318 G HA3 -0.007 3.953 3.960 -0.001 0.000 0.668 318 G C -0.407 174.407 174.900 -0.144 0.000 1.320 318 G CA -0.366 44.686 45.100 -0.081 0.000 0.860 318 G HN 0.838 nan 8.290 nan 0.000 0.538 319 L N 1.076 122.200 121.223 -0.164 0.000 2.375 319 L HA 0.430 4.770 4.340 -0.001 0.000 0.271 319 L C -1.631 174.954 176.870 -0.474 0.000 1.107 319 L CA -1.791 52.847 54.840 -0.336 0.000 0.806 319 L CB 1.047 43.017 42.059 -0.148 0.000 1.146 319 L HN 0.364 nan 8.230 nan 0.000 0.447 320 P HA -0.014 nan 4.420 nan 0.000 0.266 320 P C 0.395 177.421 177.300 -0.457 0.000 1.193 320 P CA 0.073 62.661 63.100 -0.852 0.000 0.770 320 P CB 0.548 31.284 31.700 -1.607 0.000 0.836 321 T N -3.436 110.963 114.554 -0.260 0.000 3.010 321 T HA 0.103 4.452 4.350 -0.001 0.000 0.257 321 T C 0.264 174.971 174.700 0.012 0.000 1.020 321 T CA -0.012 62.047 62.100 -0.069 0.000 0.938 321 T CB -0.132 68.687 68.868 -0.081 0.000 1.049 321 T HN 0.249 nan 8.240 nan 0.000 0.522 322 D N 1.690 122.090 120.400 0.001 0.000 2.329 322 D HA 0.232 4.872 4.640 -0.001 0.000 0.232 322 D C 0.697 177.133 176.300 0.226 0.000 1.088 322 D CA -0.403 53.648 54.000 0.085 0.000 0.835 322 D CB 1.491 42.327 40.800 0.060 0.000 1.078 322 D HN 0.246 nan 8.370 nan 0.000 0.495 323 E N 2.172 122.478 120.200 0.176 0.000 2.478 323 E HA 0.153 4.502 4.350 -0.001 0.000 0.198 323 E C 1.194 177.858 176.600 0.106 0.000 1.046 323 E CA 0.300 56.788 56.400 0.147 0.000 0.870 323 E CB 0.027 29.733 29.700 0.011 0.000 0.818 323 E HN 0.770 nan 8.360 nan 0.000 0.527 324 G N 1.330 110.196 108.800 0.110 0.000 2.752 324 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.234 324 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.234 324 G C 0.046 174.970 174.900 0.039 0.000 1.367 324 G CA -0.020 45.130 45.100 0.083 0.000 0.879 324 G HN 0.269 nan 8.290 nan 0.000 0.563 325 T N -0.606 113.965 114.554 0.028 0.000 2.912 325 T HA 0.745 5.094 4.350 -0.001 0.000 0.288 325 T C -2.422 172.284 174.700 0.009 0.000 1.030 325 T CA -0.721 61.388 62.100 0.015 0.000 1.020 325 T CB 1.905 70.780 68.868 0.012 0.000 1.056 325 T HN 0.655 nan 8.240 nan 0.000 0.480 326 P HA 0.354 nan 4.420 nan 0.000 0.271 326 P C -2.287 175.021 177.300 0.013 0.000 1.216 326 P CA -0.978 62.132 63.100 0.017 0.000 0.776 326 P CB -0.165 31.554 31.700 0.030 0.000 0.881 327 P HA 0.080 nan 4.420 nan 0.000 0.276 327 P C -0.274 177.037 177.300 0.019 0.000 1.261 327 P CA -0.383 62.732 63.100 0.026 0.000 0.800 327 P CB 0.619 32.357 31.700 0.064 0.000 1.066 328 V N 1.016 120.912 119.914 -0.030 0.000 2.901 328 V HA -0.061 4.058 4.120 -0.001 0.000 0.307 328 V C 0.559 176.595 176.094 -0.098 0.000 1.084 328 V CA 0.385 62.623 62.300 -0.104 0.000 1.184 328 V CB -0.162 31.535 31.823 -0.210 0.000 0.941 328 V HN 0.591 nan 8.190 nan 0.000 0.493 329 D N 4.396 124.752 120.400 -0.073 0.000 2.338 329 D HA 0.063 4.703 4.640 -0.001 0.000 0.255 329 D C 0.983 177.227 176.300 -0.094 0.000 1.237 329 D CA 0.175 54.169 54.000 -0.011 0.000 0.883 329 D CB 0.331 41.132 40.800 0.002 0.000 1.087 329 D HN 0.701 nan 8.370 nan 0.000 0.485 330 H N 3.266 122.320 119.070 -0.027 0.000 2.556 330 H HA -0.015 4.540 4.556 -0.001 0.000 0.268 330 H C 0.455 175.649 175.328 -0.223 0.000 0.996 330 H CA 0.294 56.275 56.048 -0.111 0.000 1.157 330 H CB 0.528 30.244 29.762 -0.076 0.000 1.355 330 H HN 0.532 nan 8.280 nan 0.000 0.597 331 Q N -0.942 118.824 119.800 -0.056 0.000 2.453 331 Q HA -0.191 4.149 4.340 -0.001 0.000 0.294 331 Q C 0.575 176.449 176.000 -0.211 0.000 1.295 331 Q CA 0.841 56.587 55.803 -0.096 0.000 0.853 331 Q CB -2.630 26.057 28.738 -0.084 0.000 1.193 331 Q HN 0.706 nan 8.270 nan 0.000 0.461 332 c N -1.650 116.739 118.600 -0.352 0.000 4.356 332 c HA -0.224 4.345 4.570 -0.001 0.000 0.296 332 c C 0.566 174.232 174.090 -0.706 0.000 1.424 332 c CA 0.899 56.932 56.329 -0.494 0.000 2.000 332 c CB -2.172 40.242 42.510 -0.161 0.000 1.262 332 c HN 0.506 nan 8.230 nan 0.000 0.789 333 L N 1.289 121.909 121.223 -1.006 0.000 2.410 333 L HA 0.521 4.860 4.340 -0.001 0.000 0.270 333 L C 0.120 176.705 176.870 -0.475 0.000 0.983 333 L CA -0.479 54.042 54.840 -0.532 0.000 0.822 333 L CB 1.383 43.294 42.059 -0.245 0.000 1.285 333 L HN 0.232 nan 8.230 nan 0.000 0.409 334 D N 0.080 120.490 120.400 0.018 0.000 2.329 334 D HA 0.074 4.714 4.640 -0.001 0.000 0.246 334 D C 0.079 176.485 176.300 0.177 0.000 1.111 334 D CA -0.385 53.793 54.000 0.296 0.000 0.941 334 D CB 1.382 42.427 40.800 0.407 0.000 1.169 334 D HN 0.310 nan 8.370 nan 0.000 0.441 335 T N 0.264 114.950 114.554 0.219 0.000 2.884 335 T HA 0.213 4.563 4.350 -0.001 0.000 0.298 335 T C 0.934 175.715 174.700 0.136 0.000 0.998 335 T CA -0.578 61.609 62.100 0.144 0.000 1.124 335 T CB -0.008 68.932 68.868 0.121 0.000 0.931 335 T HN 0.336 nan 8.240 nan 0.000 0.531 336 L N 3.903 125.178 121.223 0.086 0.000 2.685 336 L HA 0.272 4.611 4.340 -0.001 0.000 0.233 336 L C 0.920 177.832 176.870 0.070 0.000 1.173 336 L CA -0.040 54.850 54.840 0.082 0.000 0.961 336 L CB 0.055 42.146 42.059 0.054 0.000 1.217 336 L HN 0.598 nan 8.230 nan 0.000 0.478 337 D N -0.016 120.425 120.400 0.069 0.000 2.350 337 D HA 0.026 4.665 4.640 -0.001 0.000 0.213 337 D C 0.910 177.247 176.300 0.063 0.000 1.031 337 D CA 0.356 54.388 54.000 0.053 0.000 0.861 337 D CB 0.481 41.303 40.800 0.037 0.000 0.926 337 D HN 0.149 nan 8.370 nan 0.000 0.520 338 V N -0.406 119.561 119.914 0.089 0.000 2.811 338 V HA 0.415 4.535 4.120 -0.001 0.000 0.302 338 V C 0.242 176.384 176.094 0.080 0.000 1.063 338 V CA -0.471 61.887 62.300 0.096 0.000 1.088 338 V CB 1.236 33.147 31.823 0.147 0.000 0.982 338 V HN -0.120 nan 8.190 nan 0.000 0.485 339 R N 3.350 123.893 120.500 0.070 0.000 2.473 339 R HA 0.465 4.804 4.340 -0.001 0.000 0.303 339 R C -2.967 173.371 176.300 0.064 0.000 1.002 339 R CA -2.099 54.037 56.100 0.061 0.000 0.884 339 R CB 1.738 32.068 30.300 0.051 0.000 1.173 339 R HN 0.546 nan 8.270 nan 0.000 0.464 340 P HA -0.049 nan 4.420 nan 0.000 0.265 340 P C 1.127 178.474 177.300 0.078 0.000 1.187 340 P CA -0.017 63.128 63.100 0.075 0.000 0.766 340 P CB 0.847 32.595 31.700 0.081 0.000 0.820 341 V N 3.191 123.160 119.914 0.092 0.000 2.295 341 V HA -0.136 3.983 4.120 -0.001 0.000 0.246 341 V C 1.111 177.265 176.094 0.101 0.000 1.049 341 V CA 1.584 63.943 62.300 0.098 0.000 1.024 341 V CB -0.320 31.572 31.823 0.116 0.000 0.648 341 V HN 0.317 nan 8.190 nan 0.000 0.447 342 V N 3.719 123.705 119.914 0.121 0.000 2.389 342 V HA 0.247 4.367 4.120 -0.001 0.000 0.264 342 V C -1.892 174.236 176.094 0.056 0.000 1.049 342 V CA -1.389 60.961 62.300 0.083 0.000 0.932 342 V CB 0.718 32.574 31.823 0.055 0.000 1.011 342 V HN 0.380 nan 8.190 nan 0.000 0.475 343 P HA 0.496 nan 4.420 nan 0.000 0.278 343 P C -0.854 176.473 177.300 0.046 0.000 1.258 343 P CA -0.741 62.385 63.100 0.044 0.000 0.811 343 P CB 1.358 33.081 31.700 0.037 0.000 1.063 344 R N 0.007 120.530 120.500 0.037 0.000 2.750 344 R HA 0.640 4.979 4.340 -0.001 0.000 0.281 344 R C -0.602 175.670 176.300 -0.046 0.000 0.972 344 R CA -0.761 55.361 56.100 0.036 0.000 0.912 344 R CB 1.826 32.173 30.300 0.079 0.000 1.187 344 R HN 0.519 nan 8.270 nan 0.000 0.464 345 S N 1.035 116.687 115.700 -0.081 0.000 2.594 345 S HA 0.652 5.122 4.470 -0.001 0.000 0.296 345 S C -0.796 173.649 174.600 -0.259 0.000 1.124 345 S CA -0.569 57.556 58.200 -0.125 0.000 1.011 345 S CB 0.855 64.026 63.200 -0.048 0.000 1.016 345 S HN 0.420 nan 8.310 nan 0.000 0.485 346 V N 2.278 121.999 119.914 -0.321 0.000 3.007 346 V HA 0.851 4.970 4.120 -0.001 0.000 0.311 346 V C -2.861 173.147 176.094 -0.143 0.000 1.120 346 V CA -2.382 59.687 62.300 -0.385 0.000 0.980 346 V CB 1.632 32.990 31.823 -0.776 0.000 1.033 346 V HN 0.732 nan 8.190 nan 0.000 0.429 347 P HA 0.336 nan 4.420 nan 0.000 0.275 347 P C 0.403 177.721 177.300 0.030 0.000 1.227 347 P CA 0.080 63.176 63.100 -0.007 0.000 0.781 347 P CB 1.738 33.435 31.700 -0.004 0.000 0.906 348 V N -0.570 119.352 119.914 0.014 0.000 3.604 348 V HA 0.052 4.172 4.120 -0.001 0.000 0.277 348 V C 1.715 177.823 176.094 0.023 0.000 1.399 348 V CA 0.490 62.807 62.300 0.028 0.000 1.034 348 V CB -0.787 31.066 31.823 0.050 0.000 0.824 348 V HN 0.460 nan 8.190 nan 0.000 0.439 349 N N 3.038 121.742 118.700 0.005 0.000 2.309 349 N HA -0.153 4.587 4.740 -0.001 0.000 0.182 349 N C 1.529 177.031 175.510 -0.013 0.000 1.018 349 N CA 1.817 54.871 53.050 0.008 0.000 0.876 349 N CB -0.358 38.127 38.487 -0.004 0.000 0.972 349 N HN 0.695 nan 8.380 nan 0.000 0.434 350 S N -0.839 114.827 115.700 -0.057 0.000 2.575 350 S HA 0.124 4.593 4.470 -0.001 0.000 0.215 350 S C 0.321 174.822 174.600 -0.164 0.000 0.966 350 S CA -0.874 57.263 58.200 -0.106 0.000 0.911 350 S CB -0.723 62.400 63.200 -0.127 0.000 0.780 350 S HN 0.289 nan 8.310 nan 0.000 0.514 351 F N 3.243 123.018 119.950 -0.291 0.000 2.578 351 F HA 0.402 4.928 4.527 -0.001 0.000 0.376 351 F C -0.434 175.242 175.800 -0.206 0.000 1.085 351 F CA -0.389 57.397 58.000 -0.357 0.000 1.260 351 F CB 0.546 39.344 39.000 -0.338 0.000 1.095 351 F HN -0.072 nan 8.300 nan 0.000 0.573 352 V N 7.051 126.301 119.914 -1.107 0.000 2.483 352 V HA 0.218 4.338 4.120 -0.001 0.000 0.297 352 V C -0.284 175.071 176.094 -1.231 0.000 1.027 352 V CA -1.367 60.402 62.300 -0.885 0.000 0.855 352 V CB 1.523 33.073 31.823 -0.454 0.000 0.995 352 V HN 0.717 nan 8.190 nan 0.000 0.424 353 K N 5.800 125.667 120.400 -0.888 0.000 2.416 353 K HA 0.387 4.707 4.320 -0.001 0.000 0.283 353 K C -0.263 176.160 176.600 -0.296 0.000 1.037 353 K CA 0.028 56.007 56.287 -0.513 0.000 0.995 353 K CB 0.465 32.871 32.500 -0.155 0.000 0.938 353 K HN 0.702 nan 8.250 nan 0.000 0.475 354 R N 3.784 124.153 120.500 -0.218 0.000 2.808 354 R HA 0.218 4.557 4.340 -0.001 0.000 0.272 354 R C -2.175 174.099 176.300 -0.043 0.000 0.995 354 R CA -2.235 53.789 56.100 -0.127 0.000 0.917 354 R CB 1.387 31.599 30.300 -0.147 0.000 1.217 354 R HN 0.386 nan 8.270 nan 0.000 0.471 355 P HA -0.215 nan 4.420 nan 0.000 0.216 355 P C 0.468 177.808 177.300 0.067 0.000 1.150 355 P CA 1.504 64.624 63.100 0.034 0.000 0.843 355 P CB 0.135 31.852 31.700 0.027 0.000 0.787 356 D N -1.353 119.071 120.400 0.040 0.000 2.363 356 D HA -0.083 4.556 4.640 -0.001 0.000 0.226 356 D C 0.631 176.985 176.300 0.090 0.000 1.020 356 D CA 0.493 54.544 54.000 0.085 0.000 0.892 356 D CB -1.156 39.672 40.800 0.047 0.000 0.900 356 D HN 0.252 nan 8.370 nan 0.000 0.531 357 N N -1.159 117.559 118.700 0.030 0.000 2.197 357 N HA 0.066 4.806 4.740 -0.001 0.000 0.228 357 N C -0.794 174.853 175.510 0.228 0.000 1.212 357 N CA -0.402 52.635 53.050 -0.022 0.000 0.883 357 N CB 0.337 38.694 38.487 -0.215 0.000 1.107 357 N HN -0.156 nan 8.380 nan 0.000 0.519 358 T N 1.075 115.769 114.554 0.234 0.000 2.807 358 T HA 0.487 4.836 4.350 -0.001 0.000 0.279 358 T C -0.558 174.292 174.700 0.250 0.000 0.993 358 T CA -0.505 61.729 62.100 0.223 0.000 0.970 358 T CB 1.557 70.503 68.868 0.130 0.000 0.950 358 T HN 0.064 nan 8.240 nan 0.000 0.441 359 L N 5.340 126.719 121.223 0.260 0.000 2.384 359 L HA 0.355 4.695 4.340 -0.001 0.000 0.261 359 L C -2.496 174.478 176.870 0.174 0.000 1.024 359 L CA -2.113 52.858 54.840 0.218 0.000 0.899 359 L CB 1.318 43.533 42.059 0.260 0.000 1.243 359 L HN 0.314 nan 8.230 nan 0.000 0.449 360 P HA 0.144 nan 4.420 nan 0.000 0.282 360 P C -0.381 176.980 177.300 0.101 0.000 1.274 360 P CA -0.160 63.013 63.100 0.122 0.000 0.770 360 P CB 1.300 33.059 31.700 0.099 0.000 0.867 361 V N 3.641 123.622 119.914 0.111 0.000 2.465 361 V HA 0.682 4.801 4.120 -0.001 0.000 0.279 361 V C 0.416 176.591 176.094 0.134 0.000 1.045 361 V CA -0.184 62.177 62.300 0.103 0.000 0.938 361 V CB 0.902 32.758 31.823 0.055 0.000 0.986 361 V HN 0.695 nan 8.190 nan 0.000 0.467 362 A N 4.808 127.707 122.820 0.131 0.000 2.520 362 A HA 0.773 5.093 4.320 -0.001 0.000 0.298 362 A C -1.312 176.234 177.584 -0.064 0.000 1.051 362 A CA -0.617 51.447 52.037 0.045 0.000 0.690 362 A CB 1.528 20.525 19.000 -0.006 0.000 1.281 362 A HN 0.787 nan 8.150 nan 0.000 0.402 363 L N 1.674 122.717 121.223 -0.300 0.000 2.290 363 L HA 0.580 4.920 4.340 -0.001 0.000 0.284 363 L C -0.608 176.028 176.870 -0.389 0.000 1.078 363 L CA 0.147 54.578 54.840 -0.681 0.000 0.815 363 L CB 0.954 42.403 42.059 -1.018 0.000 1.162 363 L HN 0.653 nan 8.230 nan 0.000 0.435 364 D N 4.443 124.648 120.400 -0.325 0.000 2.349 364 D HA 0.242 4.881 4.640 -0.001 0.000 0.232 364 D C 0.319 176.507 176.300 -0.187 0.000 1.071 364 D CA -0.152 53.729 54.000 -0.198 0.000 0.832 364 D CB 1.004 41.722 40.800 -0.138 0.000 1.086 364 D HN 0.637 nan 8.370 nan 0.000 0.504 365 L N 2.847 123.977 121.223 -0.155 0.000 2.607 365 L HA 0.096 4.435 4.340 -0.001 0.000 0.228 365 L C 1.796 178.581 176.870 -0.142 0.000 1.123 365 L CA 0.323 55.072 54.840 -0.153 0.000 0.890 365 L CB 0.067 42.067 42.059 -0.098 0.000 1.103 365 L HN 0.472 nan 8.230 nan 0.000 0.468 366 T N -3.835 110.649 114.554 -0.116 0.000 3.086 366 T HA 0.263 4.612 4.350 -0.001 0.000 0.250 366 T C 0.866 175.512 174.700 -0.089 0.000 1.074 366 T CA 0.278 62.323 62.100 -0.092 0.000 0.988 366 T CB 0.440 69.266 68.868 -0.071 0.000 0.988 366 T HN 0.236 nan 8.240 nan 0.000 0.530 367 G N 0.092 108.830 108.800 -0.103 0.000 3.211 367 G HA2 0.567 4.527 3.960 -0.001 0.000 0.167 367 G HA3 0.567 4.527 3.960 -0.001 0.000 0.167 367 G C -1.225 173.613 174.900 -0.103 0.000 1.212 367 G CA -0.490 44.558 45.100 -0.087 0.000 0.928 367 G HN 0.251 nan 8.290 nan 0.000 0.607 368 T N 1.594 116.097 114.554 -0.085 0.000 2.848 368 T HA 0.631 4.981 4.350 -0.001 0.000 0.285 368 T C -2.104 172.552 174.700 -0.074 0.000 0.995 368 T CA -1.062 60.985 62.100 -0.088 0.000 0.970 368 T CB 1.394 70.224 68.868 -0.065 0.000 0.976 368 T HN 0.473 nan 8.240 nan 0.000 0.441 369 P HA 0.193 nan 4.420 nan 0.000 0.275 369 P C 0.991 178.175 177.300 -0.193 0.000 1.270 369 P CA -0.646 62.374 63.100 -0.132 0.000 0.791 369 P CB 0.647 32.278 31.700 -0.115 0.000 1.089 370 L N -0.465 120.567 121.223 -0.317 0.000 2.046 370 L HA 0.061 4.400 4.340 -0.001 0.000 0.208 370 L C 0.904 177.453 176.870 -0.535 0.000 1.077 370 L CA 1.419 55.953 54.840 -0.511 0.000 0.747 370 L CB -0.828 40.750 42.059 -0.802 0.000 0.896 370 L HN 0.245 nan 8.230 nan 0.000 0.432 371 F N 0.033 119.898 119.950 -0.143 0.000 2.334 371 F HA 0.465 4.991 4.527 -0.001 0.000 0.367 371 F C -0.341 175.332 175.800 -0.212 0.000 1.115 371 F CA -0.870 57.004 58.000 -0.209 0.000 1.116 371 F CB 0.836 39.774 39.000 -0.103 0.000 1.230 371 F HN -0.402 nan 8.300 nan 0.000 0.484 372 V N 2.779 122.596 119.914 -0.161 0.000 2.531 372 V HA 0.293 4.413 4.120 -0.001 0.000 0.301 372 V C -1.036 174.903 176.094 -0.258 0.000 1.034 372 V CA -1.142 61.090 62.300 -0.114 0.000 0.865 372 V CB 1.656 33.434 31.823 -0.075 0.000 0.995 372 V HN 0.589 nan 8.190 nan 0.000 0.424 373 W N 4.176 125.476 121.300 0.000 0.000 2.391 373 W HA 0.638 5.298 4.660 -0.000 0.000 0.311 373 W C 0.226 176.711 176.519 -0.057 0.000 1.087 373 W CA -0.496 56.818 57.345 -0.051 0.000 1.209 373 W CB 1.257 30.664 29.460 -0.088 0.000 1.273 373 W HN 0.302 nan 8.180 nan 0.000 0.482 374 K N 2.363 122.850 120.400 0.146 0.000 2.316 374 K HA 0.711 5.031 4.320 -0.001 0.000 0.251 374 K C -1.206 175.434 176.600 0.068 0.000 0.934 374 K CA -1.148 55.181 56.287 0.069 0.000 0.802 374 K CB 2.584 35.094 32.500 0.017 0.000 1.171 374 K HN 0.126 nan 8.250 nan 0.000 0.426 375 V N 2.627 122.561 119.914 0.034 0.000 2.487 375 V HA 0.144 4.264 4.120 -0.001 0.000 0.298 375 V C 0.188 176.297 176.094 0.024 0.000 1.028 375 V CA -0.809 61.507 62.300 0.027 0.000 0.860 375 V CB 1.140 32.959 31.823 -0.005 0.000 0.991 375 V HN 0.920 nan 8.190 nan 0.000 0.427 376 N N 3.442 122.169 118.700 0.044 0.000 2.721 376 N HA -0.216 4.524 4.740 -0.001 0.000 0.249 376 N C 1.031 176.557 175.510 0.027 0.000 1.072 376 N CA 1.990 55.067 53.050 0.044 0.000 0.710 376 N CB -0.979 37.538 38.487 0.049 0.000 0.993 376 N HN 1.588 nan 8.380 nan 0.000 0.547 377 G N -2.867 105.945 108.800 0.020 0.000 2.194 377 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.236 377 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.236 377 G C -0.058 174.842 174.900 0.000 0.000 0.987 377 G CA 0.540 45.645 45.100 0.009 0.000 0.635 377 G HN 1.234 nan 8.290 nan 0.000 0.520 378 S N 1.310 117.010 115.700 0.000 0.000 2.614 378 S HA 0.520 4.989 4.470 -0.001 0.000 0.288 378 S C -0.788 173.808 174.600 -0.006 0.000 1.137 378 S CA 0.046 58.241 58.200 -0.009 0.000 0.992 378 S CB 1.149 64.339 63.200 -0.017 0.000 1.026 378 S HN 0.531 nan 8.310 nan 0.000 0.486 379 D N 4.226 124.623 120.400 -0.004 0.000 2.312 379 D HA 0.150 4.790 4.640 -0.001 0.000 0.252 379 D C 0.496 176.783 176.300 -0.022 0.000 1.150 379 D CA -0.384 53.620 54.000 0.008 0.000 0.870 379 D CB 0.705 41.517 40.800 0.021 0.000 1.153 379 D HN 0.564 nan 8.370 nan 0.000 0.457 380 I N 1.798 122.347 120.570 -0.035 0.000 2.813 380 I HA -0.014 4.155 4.170 -0.001 0.000 0.287 380 I C 0.039 176.104 176.117 -0.087 0.000 1.196 380 I CA 0.287 61.542 61.300 -0.075 0.000 1.421 380 I CB 0.339 38.278 38.000 -0.101 0.000 1.365 380 I HN 0.390 nan 8.210 nan 0.000 0.591 381 N N 6.686 125.318 118.700 -0.113 0.000 2.629 381 N HA 0.196 4.936 4.740 -0.001 0.000 0.277 381 N C -1.142 174.263 175.510 -0.176 0.000 1.188 381 N CA -0.424 52.536 53.050 -0.150 0.000 0.835 381 N CB 1.496 39.910 38.487 -0.121 0.000 1.420 381 N HN 0.368 nan 8.380 nan 0.000 0.542 382 V N 0.281 120.054 119.914 -0.236 0.000 3.036 382 V HA 0.582 4.702 4.120 -0.001 0.000 0.308 382 V C 0.184 176.113 176.094 -0.275 0.000 1.070 382 V CA -0.502 61.670 62.300 -0.213 0.000 1.056 382 V CB 1.662 33.376 31.823 -0.182 0.000 1.084 382 V HN 0.500 nan 8.190 nan 0.000 0.471 383 D N 2.492 122.812 120.400 -0.133 0.000 2.427 383 D HA 0.243 4.882 4.640 -0.001 0.000 0.226 383 D C 0.521 176.825 176.300 0.006 0.000 1.076 383 D CA -0.512 53.425 54.000 -0.104 0.000 0.849 383 D CB 0.749 41.562 40.800 0.022 0.000 1.052 383 D HN 0.681 nan 8.370 nan 0.000 0.515 384 W N 2.716 123.939 121.300 -0.128 0.000 2.331 384 W HA -0.053 4.607 4.660 -0.000 0.000 0.291 384 W C 1.903 178.364 176.519 -0.096 0.000 1.214 384 W CA 1.176 58.402 57.345 -0.199 0.000 1.228 384 W CB -0.774 28.506 29.460 -0.300 0.000 1.135 384 W HN 0.586 nan 8.180 nan 0.000 0.537 385 G N -0.715 108.261 108.800 0.293 0.000 3.042 385 G HA2 -0.007 3.952 3.960 -0.001 0.000 0.212 385 G HA3 -0.007 3.952 3.960 -0.001 0.000 0.212 385 G C 0.610 175.617 174.900 0.178 0.000 1.166 385 G CA -0.086 45.204 45.100 0.318 0.000 0.767 385 G HN 0.123 nan 8.290 nan 0.000 0.546 386 K N 0.860 121.355 120.400 0.159 0.000 3.050 386 K HA 0.306 4.626 4.320 -0.001 0.000 0.185 386 K C -2.941 173.819 176.600 0.267 0.000 1.147 386 K CA -1.365 55.020 56.287 0.163 0.000 0.916 386 K CB 1.929 34.499 32.500 0.118 0.000 1.119 386 K HN -0.064 nan 8.250 nan 0.000 0.605 387 P HA 0.023 nan 4.420 nan 0.000 0.270 387 P C 1.100 178.624 177.300 0.373 0.000 1.223 387 P CA -0.556 62.719 63.100 0.291 0.000 0.785 387 P CB 0.589 32.507 31.700 0.363 0.000 0.923 388 I N 1.388 122.081 120.570 0.206 0.000 2.248 388 I HA -0.216 3.954 4.170 -0.001 0.000 0.248 388 I C 1.954 178.171 176.117 0.166 0.000 1.107 388 I CA 1.637 63.021 61.300 0.139 0.000 1.373 388 I CB -1.138 36.777 38.000 -0.140 0.000 1.055 388 I HN 0.378 nan 8.210 nan 0.000 0.418 389 I N 0.656 121.245 120.570 0.031 0.000 2.454 389 I HA -0.269 3.901 4.170 -0.001 0.000 0.254 389 I C 2.235 178.245 176.117 -0.177 0.000 1.156 389 I CA 1.378 62.560 61.300 -0.196 0.000 1.433 389 I CB -1.245 36.451 38.000 -0.507 0.000 1.082 389 I HN 0.262 nan 8.210 nan 0.000 0.432 390 D N 0.062 120.535 120.400 0.121 0.000 2.144 390 D HA -0.226 4.414 4.640 -0.001 0.000 0.200 390 D C 2.161 178.505 176.300 0.073 0.000 0.978 390 D CA 1.352 55.454 54.000 0.170 0.000 0.833 390 D CB -0.003 40.964 40.800 0.277 0.000 0.961 390 D HN 0.273 nan 8.370 nan 0.000 0.470 391 Y N 0.239 120.599 120.300 0.100 0.000 2.145 391 Y HA -0.115 4.435 4.550 -0.000 0.000 0.286 391 Y C 2.333 178.283 175.900 0.085 0.000 1.145 391 Y CA 0.593 58.764 58.100 0.118 0.000 1.148 391 Y CB -0.294 38.323 38.460 0.261 0.000 0.981 391 Y HN 0.078 nan 8.280 nan 0.000 0.507 392 I N -0.136 120.571 120.570 0.228 0.000 2.208 392 I HA -0.291 3.879 4.170 -0.001 0.000 0.245 392 I C 2.148 178.284 176.117 0.032 0.000 1.097 392 I CA 1.674 63.036 61.300 0.103 0.000 1.363 392 I CB -1.215 36.793 38.000 0.012 0.000 1.051 392 I HN 0.305 nan 8.210 nan 0.000 0.413 393 L N 0.262 121.474 121.223 -0.018 0.000 2.217 393 L HA -0.136 4.203 4.340 -0.001 0.000 0.211 393 L C 2.211 179.083 176.870 0.003 0.000 1.107 393 L CA 1.539 56.360 54.840 -0.032 0.000 0.783 393 L CB -0.604 41.409 42.059 -0.077 0.000 0.919 393 L HN 0.366 nan 8.230 nan 0.000 0.442 394 T N -4.416 110.147 114.554 0.014 0.000 3.069 394 T HA 0.250 4.599 4.350 -0.001 0.000 0.252 394 T C 1.363 176.072 174.700 0.015 0.000 1.053 394 T CA 0.324 62.428 62.100 0.006 0.000 0.964 394 T CB 0.556 69.412 68.868 -0.021 0.000 1.005 394 T HN 0.364 nan 8.240 nan 0.000 0.532 395 G N 1.961 110.783 108.800 0.036 0.000 2.198 395 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.260 395 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.260 395 G C -0.151 174.767 174.900 0.029 0.000 1.025 395 G CA -0.016 45.106 45.100 0.037 0.000 0.769 395 G HN 0.736 nan 8.290 nan 0.000 0.507 396 N N 0.308 119.039 118.700 0.052 0.000 2.426 396 N HA 0.500 5.240 4.740 -0.001 0.000 0.275 396 N C 1.224 176.719 175.510 -0.026 0.000 1.019 396 N CA 0.318 53.390 53.050 0.036 0.000 0.941 396 N CB 1.191 39.705 38.487 0.045 0.000 1.123 396 N HN 0.333 nan 8.380 nan 0.000 0.486 397 T N -1.210 113.211 114.554 -0.221 0.000 3.129 397 T HA 0.193 4.542 4.350 -0.001 0.000 0.267 397 T C 0.077 174.261 174.700 -0.860 0.000 1.018 397 T CA -0.367 61.335 62.100 -0.664 0.000 0.903 397 T CB -0.319 68.366 68.868 -0.305 0.000 1.067 397 T HN 0.228 nan 8.240 nan 0.000 0.549 398 S N 2.610 118.057 115.700 -0.422 0.000 3.983 398 S HA 0.319 4.788 4.470 -0.001 0.000 0.194 398 S C -0.664 173.800 174.600 -0.227 0.000 1.464 398 S CA -0.755 57.295 58.200 -0.248 0.000 1.021 398 S CB -0.948 62.220 63.200 -0.055 0.000 1.424 398 S HN 0.495 nan 8.310 nan 0.000 0.473 399 Y N 1.717 121.930 120.300 -0.145 0.000 2.526 399 Y HA 0.238 4.788 4.550 -0.001 0.000 0.330 399 Y C -1.843 173.950 175.900 -0.177 0.000 1.156 399 Y CA -2.673 55.212 58.100 -0.359 0.000 1.419 399 Y CB -0.969 37.279 38.460 -0.353 0.000 1.250 399 Y HN 0.289 nan 8.280 nan 0.000 0.540 400 P HA -0.036 nan 4.420 nan 0.000 0.267 400 P C 0.852 178.151 177.300 -0.002 0.000 1.200 400 P CA -0.001 63.107 63.100 0.012 0.000 0.772 400 P CB 0.792 32.506 31.700 0.023 0.000 0.855 401 V N 1.909 121.823 119.914 0.001 0.000 2.324 401 V HA -0.256 3.864 4.120 -0.001 0.000 0.250 401 V C 1.919 177.996 176.094 -0.028 0.000 1.060 401 V CA 2.487 64.782 62.300 -0.008 0.000 1.042 401 V CB -1.051 30.769 31.823 -0.004 0.000 0.650 401 V HN 0.598 nan 8.190 nan 0.000 0.450 402 S N -0.808 114.871 115.700 -0.034 0.000 2.603 402 S HA -0.109 4.360 4.470 -0.001 0.000 0.229 402 S C 1.461 176.014 174.600 -0.079 0.000 0.972 402 S CA 0.563 58.732 58.200 -0.053 0.000 0.935 402 S CB -0.331 62.836 63.200 -0.055 0.000 0.769 402 S HN 0.600 nan 8.310 nan 0.000 0.536 403 D N 1.723 122.071 120.400 -0.087 0.000 2.363 403 D HA 0.020 4.659 4.640 -0.001 0.000 0.220 403 D C 0.012 176.226 176.300 -0.142 0.000 0.994 403 D CA 0.231 54.155 54.000 -0.128 0.000 0.890 403 D CB -0.150 40.555 40.800 -0.159 0.000 0.906 403 D HN 0.159 nan 8.370 nan 0.000 0.530 404 N N 0.724 119.359 118.700 -0.109 0.000 2.727 404 N HA -0.175 4.564 4.740 -0.001 0.000 0.249 404 N C -0.504 174.913 175.510 -0.155 0.000 1.048 404 N CA 0.347 53.328 53.050 -0.115 0.000 0.714 404 N CB -1.133 37.281 38.487 -0.123 0.000 0.959 404 N HN 0.309 nan 8.380 nan 0.000 0.544 405 I N 0.553 121.032 120.570 -0.152 0.000 2.533 405 I HA 0.039 4.209 4.170 -0.001 0.000 0.284 405 I C 0.771 176.826 176.117 -0.102 0.000 1.109 405 I CA 0.008 61.195 61.300 -0.190 0.000 1.412 405 I CB 0.583 38.414 38.000 -0.280 0.000 1.396 405 I HN -0.165 nan 8.210 nan 0.000 0.543 406 V N 7.352 127.204 119.914 -0.103 0.000 2.304 406 V HA 0.221 4.340 4.120 -0.001 0.000 0.278 406 V C 0.306 176.482 176.094 0.137 0.000 1.018 406 V CA -0.703 61.610 62.300 0.021 0.000 0.814 406 V CB 1.153 32.935 31.823 -0.068 0.000 1.021 406 V HN 0.718 nan 8.190 nan 0.000 0.440 407 Q N 3.630 123.511 119.800 0.134 0.000 2.288 407 Q HA 0.493 4.832 4.340 -0.001 0.000 0.258 407 Q C -1.101 175.029 176.000 0.217 0.000 0.957 407 Q CA -0.224 55.665 55.803 0.144 0.000 0.919 407 Q CB 1.473 30.281 28.738 0.117 0.000 1.185 407 Q HN 0.603 nan 8.270 nan 0.000 0.408 408 V N 5.057 125.104 119.914 0.221 0.000 2.325 408 V HA 0.143 4.263 4.120 -0.001 0.000 0.280 408 V C -0.354 175.827 176.094 0.145 0.000 1.016 408 V CA -0.589 61.845 62.300 0.224 0.000 0.818 408 V CB 1.343 33.331 31.823 0.274 0.000 1.019 408 V HN 0.874 nan 8.190 nan 0.000 0.434 409 D N 2.700 123.165 120.400 0.109 0.000 2.346 409 D HA 0.154 4.794 4.640 -0.001 0.000 0.206 409 D C 1.358 177.692 176.300 0.056 0.000 1.001 409 D CA 0.503 54.551 54.000 0.081 0.000 0.871 409 D CB 0.654 41.495 40.800 0.070 0.000 0.943 409 D HN 0.667 nan 8.370 nan 0.000 0.518 410 A N 0.987 123.831 122.820 0.040 0.000 2.565 410 A HA 0.135 4.454 4.320 -0.001 0.000 0.237 410 A C 0.332 177.919 177.584 0.005 0.000 1.053 410 A CA 0.153 52.196 52.037 0.010 0.000 0.755 410 A CB 0.377 19.364 19.000 -0.021 0.000 0.980 410 A HN -0.015 nan 8.150 nan 0.000 0.506 411 V N 3.852 123.765 119.914 -0.001 0.000 2.333 411 V HA 0.257 4.377 4.120 -0.001 0.000 0.274 411 V C 0.358 176.433 176.094 -0.031 0.000 1.028 411 V CA 0.492 62.792 62.300 -0.000 0.000 0.851 411 V CB 0.500 32.329 31.823 0.010 0.000 1.000 411 V HN 1.121 nan 8.190 nan 0.000 0.456 412 D N 3.605 123.972 120.400 -0.054 0.000 2.689 412 D HA -0.179 4.460 4.640 -0.001 0.000 0.237 412 D C 0.207 176.402 176.300 -0.175 0.000 1.148 412 D CA 1.151 55.083 54.000 -0.113 0.000 0.656 412 D CB -0.315 40.440 40.800 -0.075 0.000 1.050 412 D HN 0.775 nan 8.370 nan 0.000 0.426 413 Q N -0.772 118.912 119.800 -0.193 0.000 2.387 413 Q HA 0.478 4.818 4.340 -0.001 0.000 0.273 413 Q C -0.288 175.533 176.000 -0.297 0.000 1.089 413 Q CA -0.962 54.736 55.803 -0.176 0.000 0.824 413 Q CB 0.961 29.664 28.738 -0.059 0.000 1.367 413 Q HN 0.244 nan 8.270 nan 0.000 0.443 414 W N 1.882 123.108 121.300 -0.124 0.000 2.253 414 W HA 0.179 4.838 4.660 -0.001 0.000 0.322 414 W C 0.457 176.775 176.519 -0.335 0.000 1.342 414 W CA 0.103 57.291 57.345 -0.261 0.000 1.218 414 W CB 0.822 30.140 29.460 -0.236 0.000 1.205 414 W HN 0.430 nan 8.180 nan 0.000 0.551 415 T N 0.759 115.116 114.554 -0.328 0.000 2.856 415 T HA 0.550 4.899 4.350 -0.001 0.000 0.283 415 T C -1.228 173.063 174.700 -0.682 0.000 1.008 415 T CA -0.840 60.988 62.100 -0.453 0.000 0.997 415 T CB 1.072 69.640 68.868 -0.500 0.000 0.992 415 T HN 0.204 nan 8.240 nan 0.000 0.454 416 Y N 0.769 120.638 120.300 -0.719 0.000 2.352 416 Y HA 0.618 5.168 4.550 -0.000 0.000 0.339 416 Y C -0.867 174.528 175.900 -0.841 0.000 0.992 416 Y CA -1.097 56.682 58.100 -0.534 0.000 1.100 416 Y CB 1.741 40.092 38.460 -0.180 0.000 1.192 416 Y HN 0.722 nan 8.280 nan 0.000 0.458 417 W N 5.090 126.408 121.300 0.031 0.000 2.647 417 W HA 0.541 5.200 4.660 -0.001 0.000 0.328 417 W C -1.504 175.016 176.519 0.002 0.000 1.018 417 W CA -0.684 56.692 57.345 0.052 0.000 1.245 417 W CB 1.446 30.926 29.460 0.034 0.000 1.356 417 W HN 0.255 nan 8.180 nan 0.000 0.443 418 L N 5.288 126.645 121.223 0.223 0.000 2.257 418 L HA 0.623 4.962 4.340 -0.001 0.000 0.290 418 L C -0.863 176.150 176.870 0.238 0.000 1.044 418 L CA -0.506 54.399 54.840 0.109 0.000 0.810 418 L CB 0.177 42.226 42.059 -0.017 0.000 1.193 418 L HN 0.316 nan 8.230 nan 0.000 0.425 419 I N 4.632 125.366 120.570 0.273 0.000 2.336 419 I HA 0.364 4.533 4.170 -0.001 0.000 0.292 419 I C -0.105 176.190 176.117 0.298 0.000 0.991 419 I CA -0.101 61.373 61.300 0.290 0.000 1.227 419 I CB 1.394 39.581 38.000 0.311 0.000 1.366 419 I HN 0.557 nan 8.210 nan 0.000 0.466 420 E N 4.477 124.832 120.200 0.259 0.000 2.158 420 E HA 0.248 4.598 4.350 -0.001 0.000 0.271 420 E C -0.574 176.168 176.600 0.237 0.000 0.911 420 E CA -0.708 55.861 56.400 0.280 0.000 0.767 420 E CB 1.315 31.154 29.700 0.232 0.000 1.120 420 E HN 0.306 nan 8.360 nan 0.000 0.405 421 N N 3.359 122.213 118.700 0.257 0.000 3.188 421 N HA -0.012 4.728 4.740 -0.001 0.000 0.279 421 N C -0.700 174.933 175.510 0.205 0.000 1.213 421 N CA 0.067 53.259 53.050 0.237 0.000 1.138 421 N CB -0.253 38.382 38.487 0.247 0.000 1.417 421 N HN 0.478 nan 8.380 nan 0.000 0.526 422 D N 0.687 121.189 120.400 0.170 0.000 2.686 422 D HA -0.166 4.473 4.640 -0.001 0.000 0.235 422 D C -1.445 174.912 176.300 0.094 0.000 1.160 422 D CA 0.187 54.254 54.000 0.111 0.000 0.645 422 D CB 0.112 40.967 40.800 0.093 0.000 1.039 422 D HN 0.436 nan 8.370 nan 0.000 0.423 423 P HA -0.110 nan 4.420 nan 0.000 0.226 423 P C 0.880 178.219 177.300 0.064 0.000 1.153 423 P CA 0.821 63.988 63.100 0.111 0.000 0.777 423 P CB 0.417 32.212 31.700 0.158 0.000 0.794 424 E N -0.197 120.032 120.200 0.048 0.000 2.474 424 E HA 0.192 4.542 4.350 -0.001 0.000 0.195 424 E C 1.351 177.950 176.600 -0.003 0.000 1.039 424 E CA -0.000 56.414 56.400 0.024 0.000 0.881 424 E CB -0.418 29.297 29.700 0.024 0.000 0.970 424 E HN 0.202 nan 8.360 nan 0.000 0.486 425 G N 1.746 110.531 108.800 -0.025 0.000 2.547 425 G HA2 0.249 4.209 3.960 -0.001 0.000 0.291 425 G HA3 0.249 4.209 3.960 -0.001 0.000 0.291 425 G C -1.475 173.379 174.900 -0.076 0.000 1.211 425 G CA -0.937 44.111 45.100 -0.088 0.000 0.950 425 G HN -0.076 nan 8.290 nan 0.000 0.504 426 P HA 0.079 nan 4.420 nan 0.000 0.225 426 P C -0.206 177.205 177.300 0.185 0.000 1.156 426 P CA 0.857 63.983 63.100 0.044 0.000 0.787 426 P CB -0.073 31.698 31.700 0.119 0.000 0.802 427 F N -3.411 116.562 119.950 0.038 0.000 2.741 427 F HA 0.746 5.273 4.527 -0.001 0.000 0.311 427 F C -1.140 174.711 175.800 0.085 0.000 1.149 427 F CA -1.423 56.607 58.000 0.050 0.000 0.930 427 F CB 0.800 39.825 39.000 0.041 0.000 1.312 427 F HN -0.309 nan 8.300 nan 0.000 0.450 428 S N 1.058 116.919 115.700 0.267 0.000 2.541 428 S HA 0.864 5.334 4.470 -0.001 0.000 0.271 428 S C -1.851 172.887 174.600 0.231 0.000 1.133 428 S CA -0.568 57.755 58.200 0.206 0.000 0.876 428 S CB 1.495 64.786 63.200 0.153 0.000 1.105 428 S HN 0.801 nan 8.310 nan 0.000 0.470 429 L N 3.089 124.414 121.223 0.171 0.000 2.354 429 L HA 0.624 4.963 4.340 -0.001 0.000 0.264 429 L C -2.431 174.280 176.870 -0.265 0.000 1.008 429 L CA -2.569 52.268 54.840 -0.005 0.000 0.819 429 L CB 2.524 44.581 42.059 -0.002 0.000 1.339 429 L HN 0.468 nan 8.230 nan 0.000 0.420 430 P HA 0.113 nan 4.420 nan 0.000 0.268 430 P C -1.414 175.630 177.300 -0.425 0.000 1.205 430 P CA 0.095 63.055 63.100 -0.234 0.000 0.771 430 P CB 0.371 31.963 31.700 -0.180 0.000 0.858 431 H N 2.529 121.625 119.070 0.043 0.000 2.689 431 H HA 0.260 4.815 4.556 -0.001 0.000 0.346 431 H C -2.391 173.015 175.328 0.130 0.000 1.037 431 H CA -2.022 54.063 56.048 0.062 0.000 1.234 431 H CB 2.031 31.778 29.762 -0.025 0.000 1.572 431 H HN 0.277 nan 8.280 nan 0.000 0.524 432 P HA 0.107 nan 4.420 nan 0.000 0.280 432 P C -0.234 177.195 177.300 0.215 0.000 1.386 432 P CA -0.430 62.846 63.100 0.293 0.000 0.899 432 P CB 0.389 32.253 31.700 0.273 0.000 1.098 433 M N 3.603 123.315 119.600 0.187 0.000 2.188 433 M HA 0.266 4.745 4.480 -0.001 0.000 0.357 433 M C 0.133 176.600 176.300 0.278 0.000 1.204 433 M CA -0.358 54.974 55.300 0.054 0.000 1.095 433 M CB -0.003 32.577 32.600 -0.033 0.000 1.604 433 M HN 0.437 nan 8.290 nan 0.000 0.464 434 H N 2.595 121.674 119.070 0.015 0.000 2.589 434 H HA 0.667 5.223 4.556 -0.001 0.000 0.351 434 H C -2.083 173.424 175.328 0.298 0.000 1.074 434 H CA -0.801 55.363 56.048 0.193 0.000 1.203 434 H CB 1.325 31.139 29.762 0.086 0.000 1.558 434 H HN 0.584 nan 8.280 nan 0.000 0.522 435 L N 5.705 126.908 121.223 -0.035 0.000 2.307 435 L HA 0.362 4.702 4.340 -0.001 0.000 0.284 435 L C -0.687 175.952 176.870 -0.385 0.000 1.023 435 L CA -0.228 54.615 54.840 0.005 0.000 0.810 435 L CB 0.788 42.988 42.059 0.236 0.000 1.231 435 L HN 0.810 nan 8.230 nan 0.000 0.423 436 H N 3.728 122.609 119.070 -0.314 0.000 2.615 436 H HA 0.401 4.957 4.556 -0.001 0.000 0.363 436 H C 0.909 175.998 175.328 -0.398 0.000 1.148 436 H CA 0.126 56.082 56.048 -0.154 0.000 1.401 436 H CB 1.109 30.988 29.762 0.196 0.000 1.461 436 H HN 0.934 nan 8.280 nan 0.000 0.588 437 G N 1.257 109.700 108.800 -0.593 0.000 2.225 437 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.254 437 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.254 437 G C 0.001 174.061 174.900 -1.401 0.000 0.988 437 G CA 0.092 44.161 45.100 -1.719 0.000 0.625 437 G HN 0.797 nan 8.290 nan 0.000 0.527 438 H N -0.231 118.451 119.070 -0.646 0.000 3.068 438 H HA 0.301 4.857 4.556 -0.000 0.000 0.342 438 H C -1.522 173.588 175.328 -0.362 0.000 1.284 438 H CA -0.799 54.970 56.048 -0.465 0.000 1.181 438 H CB 1.250 30.704 29.762 -0.512 0.000 1.898 438 H HN 0.184 nan 8.280 nan 0.000 0.540 439 D N 2.130 122.455 120.400 -0.125 0.000 2.256 439 D HA 0.196 4.835 4.640 -0.001 0.000 0.250 439 D C 0.129 176.378 176.300 -0.084 0.000 1.093 439 D CA -0.037 53.834 54.000 -0.215 0.000 0.882 439 D CB 1.097 41.822 40.800 -0.125 0.000 1.185 439 D HN 0.180 nan 8.370 nan 0.000 0.437 440 F N -0.291 119.699 119.950 0.067 0.000 2.457 440 F HA 0.532 5.059 4.527 0.000 0.000 0.330 440 F C -0.187 175.693 175.800 0.134 0.000 1.069 440 F CA -1.400 56.675 58.000 0.126 0.000 1.009 440 F CB 0.290 39.347 39.000 0.096 0.000 1.276 440 F HN 0.020 nan 8.300 nan 0.000 0.492 441 L N 2.173 123.661 121.223 0.442 0.000 2.292 441 L HA 0.451 4.791 4.340 -0.001 0.000 0.284 441 L C -0.587 176.444 176.870 0.268 0.000 1.065 441 L CA -1.159 53.836 54.840 0.258 0.000 0.806 441 L CB 1.507 43.593 42.059 0.045 0.000 1.175 441 L HN 0.455 nan 8.230 nan 0.000 0.431 442 V N 5.523 125.584 119.914 0.245 0.000 2.322 442 V HA 0.099 4.219 4.120 -0.001 0.000 0.258 442 V C 1.145 177.298 176.094 0.099 0.000 1.074 442 V CA -0.128 62.281 62.300 0.182 0.000 0.909 442 V CB 0.831 32.783 31.823 0.215 0.000 1.090 442 V HN 0.708 nan 8.190 nan 0.000 0.486 443 L N 3.616 124.878 121.223 0.066 0.000 2.270 443 L HA 0.404 4.744 4.340 -0.001 0.000 0.210 443 L C 1.185 178.110 176.870 0.092 0.000 1.104 443 L CA 1.020 55.890 54.840 0.050 0.000 0.804 443 L CB -0.111 41.959 42.059 0.019 0.000 0.937 443 L HN 0.803 nan 8.230 nan 0.000 0.450 444 G N -0.076 108.799 108.800 0.125 0.000 2.313 444 G HA2 0.432 4.391 3.960 -0.001 0.000 0.296 444 G HA3 0.432 4.391 3.960 -0.001 0.000 0.296 444 G C -1.683 173.270 174.900 0.089 0.000 1.356 444 G CA -0.757 44.425 45.100 0.137 0.000 0.833 444 G HN 0.145 nan 8.290 nan 0.000 0.552 445 R N -1.659 118.712 120.500 -0.216 0.000 2.747 445 R HA 0.752 5.092 4.340 -0.001 0.000 0.272 445 R C 0.115 175.616 176.300 -1.331 0.000 1.032 445 R CA -0.238 55.411 56.100 -0.750 0.000 0.896 445 R CB 0.688 30.767 30.300 -0.367 0.000 1.253 445 R HN 1.277 nan 8.270 nan 0.000 0.461 446 S N 0.341 114.970 115.700 -1.785 0.000 2.576 446 S HA 0.230 4.699 4.470 -0.001 0.000 0.272 446 S C -2.150 171.935 174.600 -0.858 0.000 1.352 446 S CA -0.825 56.530 58.200 -1.409 0.000 1.021 446 S CB -0.000 62.505 63.200 -1.158 0.000 0.887 446 S HN 0.469 nan 8.310 nan 0.000 0.542 447 P HA 0.151 nan 4.420 nan 0.000 0.266 447 P C -0.824 176.251 177.300 -0.375 0.000 1.195 447 P CA 0.055 62.807 63.100 -0.580 0.000 0.768 447 P CB 0.163 31.485 31.700 -0.629 0.000 0.838 448 D N 1.748 122.020 120.400 -0.214 0.000 2.371 448 D HA 0.204 4.844 4.640 -0.001 0.000 0.256 448 D C 0.258 176.524 176.300 -0.056 0.000 1.193 448 D CA 0.349 54.272 54.000 -0.127 0.000 0.881 448 D CB 0.158 40.892 40.800 -0.109 0.000 1.143 448 D HN 0.066 nan 8.370 nan 0.000 0.473 449 V N 0.313 120.222 119.914 -0.007 0.000 3.160 449 V HA 0.700 4.820 4.120 -0.001 0.000 0.310 449 V C -2.794 173.311 176.094 0.018 0.000 1.181 449 V CA -2.587 59.738 62.300 0.041 0.000 1.047 449 V CB 1.564 33.470 31.823 0.139 0.000 1.068 449 V HN 0.145 nan 8.190 nan 0.000 0.441 450 P HA 0.285 nan 4.420 nan 0.000 0.264 450 P C 0.711 178.021 177.300 0.016 0.000 1.193 450 P CA 0.605 63.710 63.100 0.009 0.000 0.763 450 P CB 1.007 32.715 31.700 0.015 0.000 0.810 451 A N 3.917 126.737 122.820 0.001 0.000 2.019 451 A HA -0.083 4.237 4.320 -0.001 0.000 0.219 451 A C 1.801 179.398 177.584 0.022 0.000 1.164 451 A CA 1.876 53.914 52.037 0.001 0.000 0.644 451 A CB -1.063 17.924 19.000 -0.022 0.000 0.805 451 A HN 0.548 nan 8.150 nan 0.000 0.449 452 A N -0.068 122.767 122.820 0.026 0.000 2.379 452 A HA 0.342 4.662 4.320 -0.001 0.000 0.236 452 A C 1.822 179.426 177.584 0.032 0.000 1.272 452 A CA 0.881 52.937 52.037 0.032 0.000 0.886 452 A CB -0.548 18.469 19.000 0.028 0.000 0.962 452 A HN 0.784 nan 8.150 nan 0.000 0.504 453 S N -1.100 114.619 115.700 0.033 0.000 2.562 453 S HA -0.004 4.465 4.470 -0.001 0.000 0.221 453 S C 0.917 175.531 174.600 0.024 0.000 0.975 453 S CA 0.711 58.928 58.200 0.027 0.000 0.918 453 S CB -0.056 63.162 63.200 0.029 0.000 0.772 453 S HN 0.469 nan 8.310 nan 0.000 0.531 454 Q N -0.639 119.182 119.800 0.035 0.000 2.324 454 Q HA -0.204 4.135 4.340 -0.001 0.000 0.200 454 Q C -0.546 175.449 176.000 -0.008 0.000 0.645 454 Q CA 1.291 57.114 55.803 0.033 0.000 1.377 454 Q CB -2.218 26.539 28.738 0.032 0.000 1.486 454 Q HN 0.841 nan 8.270 nan 0.000 0.796 455 Q N 0.900 120.682 119.800 -0.031 0.000 2.337 455 Q HA 0.317 4.657 4.340 -0.001 0.000 0.270 455 Q C 0.003 175.872 176.000 -0.219 0.000 1.002 455 Q CA 0.506 56.221 55.803 -0.147 0.000 0.888 455 Q CB 0.612 29.278 28.738 -0.119 0.000 1.222 455 Q HN 0.117 nan 8.270 nan 0.000 0.400 456 R N 1.814 122.083 120.500 -0.386 0.000 2.711 456 R HA 0.608 4.948 4.340 -0.001 0.000 0.284 456 R C -1.164 174.801 176.300 -0.559 0.000 0.968 456 R CA -0.512 55.426 56.100 -0.270 0.000 0.924 456 R CB 1.340 31.583 30.300 -0.096 0.000 1.162 456 R HN 0.414 nan 8.270 nan 0.000 0.465 457 F N 0.541 120.587 119.950 0.160 0.000 2.556 457 F HA 0.473 5.001 4.527 0.000 0.000 0.314 457 F C -0.424 175.596 175.800 0.366 0.000 1.106 457 F CA -1.008 57.141 58.000 0.248 0.000 0.911 457 F CB 1.992 41.159 39.000 0.278 0.000 1.190 457 F HN 0.042 nan 8.300 nan 0.000 0.448 458 V N 2.874 123.065 119.914 0.461 0.000 2.555 458 V HA 0.294 4.414 4.120 -0.001 0.000 0.302 458 V C -0.424 175.806 176.094 0.226 0.000 1.038 458 V CA -1.130 61.385 62.300 0.357 0.000 0.887 458 V CB 1.890 33.834 31.823 0.201 0.000 0.991 458 V HN 0.618 nan 8.190 nan 0.000 0.434 459 F N 4.011 123.797 119.950 -0.273 0.000 2.612 459 F HA 0.217 4.743 4.527 -0.001 0.000 0.389 459 F C 0.226 175.897 175.800 -0.214 0.000 1.055 459 F CA 0.576 58.200 58.000 -0.627 0.000 1.232 459 F CB 0.305 38.773 39.000 -0.886 0.000 1.044 459 F HN 0.636 nan 8.300 nan 0.000 0.560 460 D N 8.824 128.777 120.400 -0.745 0.000 2.542 460 D HA 0.305 4.945 4.640 -0.001 0.000 0.252 460 D C -1.994 173.927 176.300 -0.632 0.000 1.222 460 D CA -2.380 51.357 54.000 -0.439 0.000 0.895 460 D CB 1.841 42.538 40.800 -0.173 0.000 1.207 460 D HN 0.167 nan 8.370 nan 0.000 0.558 461 P HA -0.164 nan 4.420 nan 0.000 0.218 461 P C 1.136 178.318 177.300 -0.197 0.000 1.146 461 P CA 0.961 63.875 63.100 -0.310 0.000 0.813 461 P CB 0.217 31.885 31.700 -0.054 0.000 0.778 462 A N 0.042 122.771 122.820 -0.151 0.000 1.972 462 A HA -0.116 4.204 4.320 -0.001 0.000 0.219 462 A C 2.199 179.734 177.584 -0.081 0.000 1.169 462 A CA 2.406 54.391 52.037 -0.087 0.000 0.635 462 A CB -1.280 17.684 19.000 -0.060 0.000 0.810 462 A HN 0.260 nan 8.150 nan 0.000 0.446 463 V N -4.973 114.873 119.914 -0.113 0.000 3.635 463 V HA 0.187 4.307 4.120 -0.001 0.000 0.266 463 V C 1.069 177.113 176.094 -0.084 0.000 1.316 463 V CA 0.973 63.232 62.300 -0.069 0.000 1.060 463 V CB 0.106 31.914 31.823 -0.025 0.000 0.820 463 V HN 0.220 nan 8.190 nan 0.000 0.447 464 D N 0.679 120.948 120.400 -0.218 0.000 2.355 464 D HA 0.221 4.861 4.640 -0.001 0.000 0.206 464 D C 2.057 178.329 176.300 -0.046 0.000 1.010 464 D CA 0.642 54.536 54.000 -0.177 0.000 0.875 464 D CB 0.479 40.911 40.800 -0.614 0.000 0.966 464 D HN 0.393 nan 8.370 nan 0.000 0.512 465 L N 0.957 122.140 121.223 -0.067 0.000 2.079 465 L HA -0.139 4.201 4.340 -0.001 0.000 0.210 465 L C 2.323 179.232 176.870 0.065 0.000 1.081 465 L CA 1.153 56.039 54.840 0.076 0.000 0.752 465 L CB -0.317 41.783 42.059 0.069 0.000 0.896 465 L HN -0.028 nan 8.230 nan 0.000 0.433 466 A N -0.341 122.496 122.820 0.029 0.000 2.209 466 A HA -0.089 4.230 4.320 -0.001 0.000 0.212 466 A C 2.163 179.773 177.584 0.044 0.000 1.158 466 A CA 0.800 52.855 52.037 0.030 0.000 0.742 466 A CB -0.361 18.647 19.000 0.012 0.000 0.790 466 A HN 0.365 nan 8.150 nan 0.000 0.472 467 R N -0.835 119.708 120.500 0.072 0.000 2.334 467 R HA 0.299 4.639 4.340 -0.001 0.000 0.216 467 R C -0.260 176.108 176.300 0.113 0.000 0.905 467 R CA -0.185 55.966 56.100 0.085 0.000 1.064 467 R CB -0.004 30.359 30.300 0.105 0.000 1.046 467 R HN 0.391 nan 8.270 nan 0.000 0.508 468 L N 0.896 122.196 121.223 0.129 0.000 2.418 468 L HA 0.204 4.544 4.340 -0.001 0.000 0.265 468 L C 0.123 177.035 176.870 0.070 0.000 1.143 468 L CA -0.211 54.703 54.840 0.124 0.000 0.809 468 L CB 0.695 42.832 42.059 0.130 0.000 1.124 468 L HN 0.116 nan 8.230 nan 0.000 0.456 469 N N 0.524 119.256 118.700 0.054 0.000 2.491 469 N HA 0.305 5.044 4.740 -0.001 0.000 0.274 469 N C 0.154 175.667 175.510 0.005 0.000 1.023 469 N CA -0.275 52.792 53.050 0.028 0.000 0.902 469 N CB 1.615 40.120 38.487 0.029 0.000 1.267 469 N HN 0.792 nan 8.380 nan 0.000 0.503 470 G N 1.546 110.339 108.800 -0.013 0.000 3.277 470 G HA2 -0.027 3.932 3.960 -0.001 0.000 0.243 470 G HA3 -0.027 3.932 3.960 -0.001 0.000 0.243 470 G C -0.001 174.860 174.900 -0.067 0.000 1.107 470 G CA -0.058 45.006 45.100 -0.059 0.000 0.771 470 G HN 0.585 nan 8.290 nan 0.000 0.544 471 D N 1.122 121.504 120.400 -0.031 0.000 2.500 471 D HA 0.132 4.771 4.640 -0.001 0.000 0.219 471 D C 0.630 176.923 176.300 -0.011 0.000 1.137 471 D CA -0.602 53.385 54.000 -0.022 0.000 0.946 471 D CB -0.376 40.420 40.800 -0.006 0.000 1.022 471 D HN 0.022 nan 8.370 nan 0.000 0.518 472 N N 2.603 121.291 118.700 -0.020 0.000 2.688 472 N HA -0.129 4.611 4.740 -0.001 0.000 0.258 472 N C -2.474 173.046 175.510 0.016 0.000 1.016 472 N CA 0.327 53.378 53.050 0.001 0.000 0.747 472 N CB -0.337 38.161 38.487 0.019 0.000 0.895 472 N HN 0.315 nan 8.380 nan 0.000 0.543 473 P HA 0.264 nan 4.420 nan 0.000 0.275 473 P C -2.552 174.784 177.300 0.060 0.000 1.266 473 P CA -1.031 62.090 63.100 0.035 0.000 0.793 473 P CB -0.052 31.664 31.700 0.027 0.000 1.074 474 P HA 0.071 nan 4.420 nan 0.000 0.263 474 P C -0.106 177.264 177.300 0.116 0.000 1.175 474 P CA 0.829 63.991 63.100 0.103 0.000 0.761 474 P CB 0.168 31.946 31.700 0.130 0.000 0.794 475 R N 3.808 124.358 120.500 0.084 0.000 2.483 475 R HA 0.569 4.909 4.340 -0.001 0.000 0.303 475 R C -0.175 176.107 176.300 -0.031 0.000 0.987 475 R CA -0.644 55.493 56.100 0.061 0.000 0.881 475 R CB 0.946 31.292 30.300 0.077 0.000 1.177 475 R HN 0.618 nan 8.270 nan 0.000 0.451 476 R N 1.082 121.475 120.500 -0.177 0.000 2.921 476 R HA 0.184 4.524 4.340 -0.001 0.000 0.268 476 R C -1.109 174.790 176.300 -0.669 0.000 1.008 476 R CA -0.516 55.416 56.100 -0.280 0.000 0.876 476 R CB 0.103 30.313 30.300 -0.150 0.000 1.395 476 R HN 0.506 nan 8.270 nan 0.000 0.443 477 D N -0.961 119.165 120.400 -0.458 0.000 2.433 477 D HA 0.182 4.822 4.640 -0.001 0.000 0.211 477 D C -0.585 175.686 176.300 -0.048 0.000 1.114 477 D CA 0.048 53.768 54.000 -0.465 0.000 0.837 477 D CB 0.960 41.701 40.800 -0.098 0.000 0.984 477 D HN 0.433 nan 8.370 nan 0.000 0.505 478 T N -0.676 113.946 114.554 0.114 0.000 2.952 478 T HA 0.604 4.954 4.350 -0.001 0.000 0.305 478 T C -1.189 173.774 174.700 0.439 0.000 1.064 478 T CA -0.649 61.710 62.100 0.431 0.000 1.008 478 T CB 2.248 71.275 68.868 0.264 0.000 1.078 478 T HN -0.016 nan 8.240 nan 0.000 0.459 479 T N 2.160 117.023 114.554 0.514 0.000 2.821 479 T HA 0.561 4.911 4.350 -0.001 0.000 0.306 479 T C -1.312 173.558 174.700 0.285 0.000 1.313 479 T CA -0.799 61.524 62.100 0.372 0.000 1.012 479 T CB 1.035 70.154 68.868 0.419 0.000 1.298 479 T HN 0.364 nan 8.240 nan 0.000 0.502 480 M N 2.925 122.667 119.600 0.237 0.000 2.216 480 M HA 0.401 4.881 4.480 -0.001 0.000 0.356 480 M C -0.366 176.011 176.300 0.129 0.000 1.205 480 M CA -0.848 54.569 55.300 0.195 0.000 1.122 480 M CB 0.541 33.234 32.600 0.155 0.000 1.571 480 M HN 0.540 nan 8.290 nan 0.000 0.464 481 L N 7.149 128.456 121.223 0.140 0.000 2.283 481 L HA 0.443 4.783 4.340 -0.001 0.000 0.287 481 L C -2.362 174.558 176.870 0.082 0.000 1.073 481 L CA -1.401 53.513 54.840 0.124 0.000 0.822 481 L CB 0.552 42.719 42.059 0.181 0.000 1.186 481 L HN 0.367 nan 8.230 nan 0.000 0.436 482 P HA 0.146 nan 4.420 nan 0.000 0.268 482 P C -0.828 176.502 177.300 0.050 0.000 1.204 482 P CA -0.212 62.885 63.100 -0.005 0.000 0.768 482 P CB 0.580 32.237 31.700 -0.072 0.000 0.842 483 A N 3.439 126.280 122.820 0.034 0.000 2.584 483 A HA 0.354 4.674 4.320 -0.001 0.000 0.239 483 A C 1.637 179.289 177.584 0.114 0.000 1.043 483 A CA 0.888 52.967 52.037 0.069 0.000 0.756 483 A CB -1.503 17.526 19.000 0.047 0.000 0.963 483 A HN 0.902 nan 8.150 nan 0.000 0.511 484 G N 1.365 110.250 108.800 0.142 0.000 2.184 484 G HA2 -0.024 3.935 3.960 -0.001 0.000 0.264 484 G HA3 -0.024 3.935 3.960 -0.001 0.000 0.264 484 G C 0.971 175.998 174.900 0.212 0.000 0.975 484 G CA 1.015 46.204 45.100 0.147 0.000 0.642 484 G HN 1.947 nan 8.290 nan 0.000 0.536 485 G N -0.884 108.050 108.800 0.222 0.000 3.175 485 G HA2 0.761 4.721 3.960 -0.001 0.000 0.153 485 G HA3 0.761 4.721 3.960 -0.001 0.000 0.153 485 G C -0.075 175.006 174.900 0.301 0.000 1.216 485 G CA -0.214 45.028 45.100 0.238 0.000 0.943 485 G HN 1.154 nan 8.290 nan 0.000 0.611 486 W N -2.321 119.096 121.300 0.194 0.000 3.066 486 W HA 0.712 5.371 4.660 -0.001 0.000 0.330 486 W C -2.668 173.926 176.519 0.125 0.000 1.253 486 W CA -1.075 56.372 57.345 0.170 0.000 1.187 486 W CB 1.234 30.819 29.460 0.210 0.000 1.434 486 W HN 0.608 nan 8.180 nan 0.000 0.572 487 L N 3.016 124.529 121.223 0.482 0.000 2.464 487 L HA 0.660 4.999 4.340 -0.001 0.000 0.266 487 L C -1.948 175.125 176.870 0.337 0.000 0.965 487 L CA -0.708 54.311 54.840 0.298 0.000 0.833 487 L CB 1.886 44.046 42.059 0.168 0.000 1.296 487 L HN 0.432 nan 8.230 nan 0.000 0.405 488 L N 5.667 127.056 121.223 0.276 0.000 2.319 488 L HA 0.716 5.055 4.340 -0.001 0.000 0.281 488 L C -1.537 175.341 176.870 0.013 0.000 1.005 488 L CA -0.047 54.828 54.840 0.059 0.000 0.828 488 L CB 1.247 43.246 42.059 -0.099 0.000 1.227 488 L HN 0.614 nan 8.230 nan 0.000 0.415 489 L N 4.374 125.594 121.223 -0.005 0.000 2.319 489 L HA 0.991 5.331 4.340 -0.001 0.000 0.267 489 L C -0.354 176.525 176.870 0.014 0.000 1.011 489 L CA -0.896 53.928 54.840 -0.025 0.000 0.818 489 L CB 1.901 43.840 42.059 -0.200 0.000 1.316 489 L HN 0.719 nan 8.230 nan 0.000 0.432 490 A N 1.459 124.307 122.820 0.047 0.000 2.475 490 A HA 0.903 5.223 4.320 -0.001 0.000 0.301 490 A C -1.302 176.476 177.584 0.324 0.000 1.059 490 A CA -0.377 51.642 52.037 -0.030 0.000 0.710 490 A CB 1.626 20.370 19.000 -0.428 0.000 1.288 490 A HN 0.600 nan 8.150 nan 0.000 0.408 491 F N -0.566 119.448 119.950 0.107 0.000 2.613 491 F HA 0.825 5.351 4.527 -0.001 0.000 0.310 491 F C -0.601 175.027 175.800 -0.287 0.000 1.085 491 F CA -0.994 56.997 58.000 -0.014 0.000 0.945 491 F CB 1.508 40.322 39.000 -0.309 0.000 1.298 491 F HN 0.649 nan 8.300 nan 0.000 0.455 492 R N 0.828 121.027 120.500 -0.502 0.000 2.349 492 R HA 0.445 4.785 4.340 -0.001 0.000 0.299 492 R C -0.340 175.766 176.300 -0.323 0.000 1.027 492 R CA -0.247 55.351 56.100 -0.837 0.000 0.958 492 R CB 1.335 30.815 30.300 -1.367 0.000 1.047 492 R HN 0.923 nan 8.270 nan 0.000 0.468 493 T N 0.612 115.002 114.554 -0.273 0.000 4.098 493 T HA 0.069 4.419 4.350 -0.001 0.000 0.291 493 T C 0.017 174.750 174.700 0.056 0.000 1.440 493 T CA -0.687 61.406 62.100 -0.012 0.000 1.164 493 T CB -0.184 68.659 68.868 -0.043 0.000 1.313 493 T HN 0.638 nan 8.240 nan 0.000 0.951 494 D N 0.095 120.563 120.400 0.113 0.000 2.368 494 D HA 0.099 4.739 4.640 -0.001 0.000 0.218 494 D C 0.234 176.580 176.300 0.077 0.000 1.112 494 D CA -0.508 53.520 54.000 0.045 0.000 0.834 494 D CB 0.072 40.853 40.800 -0.031 0.000 0.953 494 D HN 0.413 nan 8.370 nan 0.000 0.505 495 N N 0.590 119.389 118.700 0.164 0.000 2.751 495 N HA 0.234 4.973 4.740 -0.001 0.000 0.238 495 N C -3.048 172.714 175.510 0.420 0.000 1.351 495 N CA -1.465 51.686 53.050 0.169 0.000 0.751 495 N CB 1.247 39.630 38.487 -0.174 0.000 1.342 495 N HN -0.199 nan 8.380 nan 0.000 0.540 496 P HA 0.315 nan 4.420 nan 0.000 0.262 496 P C 0.050 177.480 177.300 0.217 0.000 1.182 496 P CA 0.481 63.730 63.100 0.248 0.000 0.761 496 P CB 0.718 32.496 31.700 0.131 0.000 0.795 497 G N 1.324 110.142 108.800 0.029 0.000 2.325 497 G HA2 0.477 4.436 3.960 -0.001 0.000 0.297 497 G HA3 0.477 4.436 3.960 -0.001 0.000 0.297 497 G C -1.876 172.552 174.900 -0.786 0.000 1.448 497 G CA -0.238 44.527 45.100 -0.560 0.000 0.838 497 G HN 0.421 nan 8.290 nan 0.000 0.579 498 A N -0.277 122.009 122.820 -0.890 0.000 2.252 498 A HA 0.701 5.021 4.320 -0.001 0.000 0.309 498 A C -1.031 176.133 177.584 -0.700 0.000 1.285 498 A CA -0.337 51.340 52.037 -0.601 0.000 0.900 498 A CB -0.019 18.747 19.000 -0.389 0.000 1.157 498 A HN 0.686 nan 8.150 nan 0.000 0.536 499 W N 3.396 124.688 121.300 -0.012 0.000 2.475 499 W HA 0.504 5.163 4.660 -0.001 0.000 0.320 499 W C -0.298 176.152 176.519 -0.115 0.000 1.022 499 W CA -0.681 56.651 57.345 -0.023 0.000 1.240 499 W CB 1.288 30.790 29.460 0.069 0.000 1.328 499 W HN 0.457 nan 8.180 nan 0.000 0.439 500 L N 3.551 124.673 121.223 -0.168 0.000 2.461 500 L HA 0.258 4.598 4.340 -0.001 0.000 0.272 500 L C -0.355 176.523 176.870 0.012 0.000 1.197 500 L CA -0.137 54.544 54.840 -0.265 0.000 0.836 500 L CB 0.237 41.912 42.059 -0.641 0.000 1.105 500 L HN 0.332 nan 8.230 nan 0.000 0.477 501 F N 3.441 123.319 119.950 -0.120 0.000 2.553 501 F HA 0.475 5.001 4.527 -0.001 0.000 0.335 501 F C -0.417 175.370 175.800 -0.022 0.000 1.148 501 F CA -0.509 57.444 58.000 -0.077 0.000 0.963 501 F CB 0.677 39.615 39.000 -0.103 0.000 1.217 501 F HN 0.565 nan 8.300 nan 0.000 0.441 502 H N 2.202 120.997 119.070 -0.458 0.000 3.037 502 H HA 0.454 5.009 4.556 -0.001 0.000 0.355 502 H C -1.279 173.901 175.328 -0.246 0.000 1.263 502 H CA -1.404 54.439 56.048 -0.342 0.000 1.129 502 H CB 0.758 30.435 29.762 -0.142 0.000 1.861 502 H HN 0.706 nan 8.280 nan 0.000 0.546 503 C N 2.296 121.542 119.300 -0.090 0.000 2.653 503 C HA 0.062 4.522 4.460 -0.001 0.000 0.421 503 C C 1.364 176.480 174.990 0.210 0.000 1.334 503 C CA 0.063 59.089 59.018 0.013 0.000 1.885 503 C CB -0.794 26.924 27.740 -0.037 0.000 2.645 503 C HN 1.017 nan 8.230 nan 0.000 0.601 504 H N 3.740 122.887 119.070 0.128 0.000 2.539 504 H HA 0.293 4.849 4.556 -0.001 0.000 0.269 504 H C 0.548 175.880 175.328 0.006 0.000 0.980 504 H CA 0.279 56.424 56.048 0.162 0.000 1.152 504 H CB 0.080 29.910 29.762 0.113 0.000 1.407 504 H HN 0.662 nan 8.280 nan 0.000 0.564 505 I N 1.396 121.981 120.570 0.025 0.000 2.505 505 I HA -0.054 4.116 4.170 -0.001 0.000 0.287 505 I C 1.677 177.578 176.117 -0.361 0.000 1.104 505 I CA -0.036 61.101 61.300 -0.272 0.000 1.387 505 I CB 1.246 38.942 38.000 -0.506 0.000 1.404 505 I HN 0.114 nan 8.210 nan 0.000 0.528 506 A N 7.129 129.590 122.820 -0.599 0.000 1.917 506 A HA -0.183 4.137 4.320 -0.001 0.000 0.219 506 A C 1.869 179.335 177.584 -0.197 0.000 1.182 506 A CA 1.441 53.170 52.037 -0.512 0.000 0.633 506 A CB -0.669 17.781 19.000 -0.918 0.000 0.819 506 A HN 0.937 nan 8.150 nan 0.000 0.448 507 W N -1.256 120.009 121.300 -0.057 0.000 2.374 507 W HA -0.133 4.526 4.660 -0.001 0.000 0.288 507 W C 2.246 178.888 176.519 0.206 0.000 1.218 507 W CA 0.816 58.194 57.345 0.055 0.000 1.245 507 W CB -0.449 29.047 29.460 0.060 0.000 1.126 507 W HN 0.538 nan 8.180 nan 0.000 0.545 508 H N -0.976 118.180 119.070 0.142 0.000 2.384 508 H HA -0.089 4.467 4.556 -0.000 0.000 0.300 508 H C 2.394 177.698 175.328 -0.039 0.000 1.057 508 H CA 1.000 56.996 56.048 -0.087 0.000 1.370 508 H CB -0.221 29.261 29.762 -0.467 0.000 1.417 508 H HN -0.016 nan 8.280 nan 0.000 0.527 509 V N 0.133 120.099 119.914 0.087 0.000 2.548 509 V HA -0.221 3.898 4.120 -0.001 0.000 0.249 509 V C 2.442 178.567 176.094 0.052 0.000 1.055 509 V CA 1.878 64.194 62.300 0.026 0.000 1.065 509 V CB -0.146 31.647 31.823 -0.050 0.000 0.681 509 V HN 0.329 nan 8.190 nan 0.000 0.462 510 S N 0.451 116.216 115.700 0.108 0.000 2.370 510 S HA -0.137 4.333 4.470 -0.001 0.000 0.226 510 S C 1.874 176.565 174.600 0.152 0.000 1.033 510 S CA 1.834 60.113 58.200 0.132 0.000 1.011 510 S CB -0.781 62.546 63.200 0.212 0.000 0.852 510 S HN 0.794 nan 8.310 nan 0.000 0.457 511 G N -1.114 107.840 108.800 0.256 0.000 2.848 511 G HA2 0.371 4.331 3.960 -0.001 0.000 0.208 511 G HA3 0.371 4.331 3.960 -0.001 0.000 0.208 511 G C 0.941 175.999 174.900 0.264 0.000 1.152 511 G CA 0.503 45.794 45.100 0.319 0.000 0.789 511 G HN 1.152 nan 8.290 nan 0.000 0.531 512 G N -0.747 108.154 108.800 0.169 0.000 2.227 512 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.168 512 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.168 512 G C 0.352 175.295 174.900 0.072 0.000 1.006 512 G CA -0.092 45.067 45.100 0.098 0.000 0.684 512 G HN 0.430 nan 8.290 nan 0.000 0.489 513 L N 2.529 123.792 121.223 0.066 0.000 2.384 513 L HA 0.656 4.995 4.340 -0.001 0.000 0.258 513 L C 0.237 177.062 176.870 -0.076 0.000 1.266 513 L CA 0.282 55.102 54.840 -0.034 0.000 1.162 513 L CB 0.369 42.298 42.059 -0.217 0.000 1.375 513 L HN 0.235 nan 8.230 nan 0.000 0.420 514 S N 1.771 117.424 115.700 -0.079 0.000 2.565 514 S HA 0.694 5.163 4.470 -0.001 0.000 0.269 514 S C -0.823 173.698 174.600 -0.132 0.000 1.153 514 S CA -0.459 57.680 58.200 -0.103 0.000 0.835 514 S CB 1.723 64.866 63.200 -0.095 0.000 1.122 514 S HN 0.266 nan 8.310 nan 0.000 0.462 515 V N 0.269 120.079 119.914 -0.173 0.000 3.164 515 V HA 0.855 4.975 4.120 -0.001 0.000 0.313 515 V C -1.399 174.524 176.094 -0.286 0.000 1.188 515 V CA -0.712 61.440 62.300 -0.246 0.000 1.058 515 V CB 1.933 33.542 31.823 -0.356 0.000 1.110 515 V HN 0.835 nan 8.190 nan 0.000 0.453 516 D N 0.351 120.556 120.400 -0.325 0.000 2.469 516 D HA 0.399 5.039 4.640 -0.001 0.000 0.251 516 D C -1.299 174.855 176.300 -0.244 0.000 1.173 516 D CA -0.428 53.414 54.000 -0.263 0.000 0.882 516 D CB 0.968 41.626 40.800 -0.238 0.000 1.129 516 D HN 0.379 nan 8.370 nan 0.000 0.549 517 F N 3.268 123.178 119.950 -0.068 0.000 2.487 517 F HA 0.185 4.712 4.527 -0.001 0.000 0.364 517 F C 0.640 176.433 175.800 -0.012 0.000 1.126 517 F CA -0.605 57.376 58.000 -0.032 0.000 1.135 517 F CB 0.569 39.586 39.000 0.028 0.000 1.127 517 F HN 0.278 nan 8.300 nan 0.000 0.559 518 L N 5.120 126.408 121.223 0.109 0.000 2.302 518 L HA 0.255 4.595 4.340 -0.001 0.000 0.285 518 L C 0.083 177.021 176.870 0.112 0.000 1.090 518 L CA -0.109 54.726 54.840 -0.009 0.000 0.866 518 L CB 0.136 42.087 42.059 -0.179 0.000 1.244 518 L HN 0.568 nan 8.230 nan 0.000 0.435 519 E N 4.921 125.227 120.200 0.177 0.000 2.130 519 E HA 0.291 4.641 4.350 -0.001 0.000 0.284 519 E C -0.174 176.531 176.600 0.174 0.000 1.018 519 E CA -0.513 56.045 56.400 0.264 0.000 0.817 519 E CB 0.325 30.326 29.700 0.501 0.000 1.078 519 E HN 0.551 nan 8.360 nan 0.000 0.396 520 R N 3.362 123.947 120.500 0.140 0.000 3.264 520 R HA -0.128 4.212 4.340 -0.001 0.000 0.251 520 R C -1.893 174.453 176.300 0.077 0.000 0.971 520 R CA 0.331 56.493 56.100 0.104 0.000 0.658 520 R CB -1.037 29.329 30.300 0.110 0.000 1.095 520 R HN 0.595 nan 8.270 nan 0.000 0.443 521 P HA -0.177 nan 4.420 nan 0.000 0.220 521 P C 1.074 178.406 177.300 0.053 0.000 1.148 521 P CA 1.789 64.917 63.100 0.047 0.000 0.803 521 P CB 0.189 31.928 31.700 0.065 0.000 0.782 522 A N -0.062 122.793 122.820 0.059 0.000 2.121 522 A HA -0.118 4.202 4.320 -0.001 0.000 0.218 522 A C 1.709 179.318 177.584 0.042 0.000 1.154 522 A CA 1.455 53.522 52.037 0.050 0.000 0.679 522 A CB -0.775 18.255 19.000 0.049 0.000 0.795 522 A HN 0.063 nan 8.150 nan 0.000 0.458 523 D N -1.137 119.290 120.400 0.045 0.000 2.338 523 D HA 0.026 4.665 4.640 -0.001 0.000 0.208 523 D C 1.698 178.020 176.300 0.036 0.000 0.997 523 D CA 0.264 54.290 54.000 0.043 0.000 0.880 523 D CB -0.060 40.773 40.800 0.054 0.000 0.980 523 D HN 0.348 nan 8.370 nan 0.000 0.509 524 L N 1.155 122.396 121.223 0.030 0.000 2.056 524 L HA 0.011 4.351 4.340 -0.001 0.000 0.207 524 L C 2.154 179.022 176.870 -0.004 0.000 1.078 524 L CA 1.624 56.469 54.840 0.008 0.000 0.749 524 L CB -0.327 41.720 42.059 -0.020 0.000 0.901 524 L HN -0.181 nan 8.230 nan 0.000 0.433 525 R N -0.879 119.620 120.500 -0.001 0.000 2.096 525 R HA -0.185 4.154 4.340 -0.001 0.000 0.235 525 R C 2.273 178.573 176.300 -0.000 0.000 1.127 525 R CA 1.691 57.785 56.100 -0.009 0.000 0.968 525 R CB -0.154 30.147 30.300 0.001 0.000 0.861 525 R HN 0.534 nan 8.270 nan 0.000 0.440 526 Q N -0.399 119.408 119.800 0.012 0.000 2.234 526 Q HA -0.137 4.202 4.340 -0.001 0.000 0.206 526 Q C 1.552 177.563 176.000 0.018 0.000 0.980 526 Q CA 1.488 57.301 55.803 0.016 0.000 0.869 526 Q CB 0.112 28.863 28.738 0.021 0.000 0.912 526 Q HN 0.259 nan 8.270 nan 0.000 0.436 527 R N -0.348 120.164 120.500 0.020 0.000 2.334 527 R HA 0.220 4.560 4.340 -0.001 0.000 0.216 527 R C -0.199 176.117 176.300 0.026 0.000 0.905 527 R CA -0.108 56.009 56.100 0.028 0.000 1.064 527 R CB 0.481 30.805 30.300 0.040 0.000 1.046 527 R HN 0.158 nan 8.270 nan 0.000 0.508 528 I N 2.162 122.738 120.570 0.010 0.000 2.325 528 I HA 0.018 4.188 4.170 -0.001 0.000 0.291 528 I C 0.778 176.906 176.117 0.018 0.000 1.019 528 I CA -0.295 61.008 61.300 0.005 0.000 1.302 528 I CB 1.354 39.331 38.000 -0.037 0.000 1.401 528 I HN 0.093 nan 8.210 nan 0.000 0.485 529 S N 4.379 120.101 115.700 0.037 0.000 2.589 529 S HA 0.030 4.500 4.470 -0.001 0.000 0.265 529 S C 0.798 175.418 174.600 0.035 0.000 1.342 529 S CA -0.431 57.792 58.200 0.038 0.000 1.005 529 S CB 1.429 64.660 63.200 0.052 0.000 0.909 529 S HN 0.653 nan 8.310 nan 0.000 0.555 530 Q N 0.580 120.399 119.800 0.031 0.000 2.124 530 Q HA -0.117 4.223 4.340 -0.001 0.000 0.202 530 Q C 2.020 178.044 176.000 0.040 0.000 0.977 530 Q CA 2.172 57.993 55.803 0.031 0.000 0.850 530 Q CB -0.438 28.316 28.738 0.026 0.000 0.901 530 Q HN 0.927 nan 8.270 nan 0.000 0.429 531 E N -0.592 119.634 120.200 0.044 0.000 2.077 531 E HA -0.195 4.155 4.350 -0.001 0.000 0.193 531 E C 1.105 177.743 176.600 0.062 0.000 0.989 531 E CA 1.333 57.763 56.400 0.049 0.000 0.800 531 E CB 0.041 29.771 29.700 0.050 0.000 0.746 531 E HN 0.395 nan 8.360 nan 0.000 0.452 532 D N 0.216 120.662 120.400 0.076 0.000 2.117 532 D HA -0.168 4.472 4.640 -0.001 0.000 0.198 532 D C 1.770 178.113 176.300 0.071 0.000 0.982 532 D CA 0.944 54.991 54.000 0.077 0.000 0.828 532 D CB -0.221 40.639 40.800 0.100 0.000 0.967 532 D HN 0.293 nan 8.370 nan 0.000 0.464 533 E N 0.439 120.670 120.200 0.053 0.000 2.058 533 E HA -0.198 4.152 4.350 -0.001 0.000 0.194 533 E C 1.249 177.926 176.600 0.127 0.000 0.997 533 E CA 1.283 57.722 56.400 0.065 0.000 0.801 533 E CB 0.152 29.869 29.700 0.029 0.000 0.746 533 E HN 0.080 nan 8.360 nan 0.000 0.450 534 D N 0.296 120.747 120.400 0.085 0.000 2.117 534 D HA -0.151 4.488 4.640 -0.001 0.000 0.197 534 D C 1.546 177.891 176.300 0.076 0.000 0.987 534 D CA 1.324 55.368 54.000 0.075 0.000 0.829 534 D CB -0.345 40.484 40.800 0.048 0.000 0.961 534 D HN 0.231 nan 8.370 nan 0.000 0.460 535 D N -1.052 119.389 120.400 0.069 0.000 2.194 535 D HA -0.095 4.545 4.640 -0.001 0.000 0.204 535 D C 1.741 178.068 176.300 0.046 0.000 0.964 535 D CA 0.204 54.224 54.000 0.033 0.000 0.846 535 D CB -0.112 40.689 40.800 0.001 0.000 0.962 535 D HN 0.088 nan 8.370 nan 0.000 0.490 536 F N 1.117 121.036 119.950 -0.051 0.000 2.095 536 F HA -0.223 4.304 4.527 -0.001 0.000 0.298 536 F C 1.892 177.687 175.800 -0.009 0.000 1.104 536 F CA 1.415 59.388 58.000 -0.045 0.000 1.232 536 F CB -0.296 38.681 39.000 -0.039 0.000 0.987 536 F HN -0.072 nan 8.300 nan 0.000 0.475 537 N N 0.553 119.335 118.700 0.137 0.000 2.188 537 N HA -0.178 4.561 4.740 -0.001 0.000 0.184 537 N C 2.062 177.552 175.510 -0.033 0.000 1.018 537 N CA 1.228 54.300 53.050 0.036 0.000 0.858 537 N CB -0.596 37.967 38.487 0.126 0.000 0.989 537 N HN 0.397 nan 8.380 nan 0.000 0.426 538 R N 0.995 121.491 120.500 -0.008 0.000 2.080 538 R HA -0.079 4.261 4.340 -0.001 0.000 0.236 538 R C 1.821 178.103 176.300 -0.030 0.000 1.137 538 R CA 1.347 57.441 56.100 -0.011 0.000 0.943 538 R CB -0.242 30.056 30.300 -0.002 0.000 0.846 538 R HN -0.023 nan 8.270 nan 0.000 0.431 539 V N 0.211 120.081 119.914 -0.073 0.000 2.358 539 V HA -0.283 3.837 4.120 -0.001 0.000 0.246 539 V C 2.563 178.631 176.094 -0.043 0.000 1.047 539 V CA 1.642 63.903 62.300 -0.064 0.000 1.035 539 V CB -0.454 31.300 31.823 -0.115 0.000 0.658 539 V HN 0.541 nan 8.190 nan 0.000 0.452 540 c N 0.093 118.585 118.600 -0.180 0.000 2.425 540 c HA -0.143 4.426 4.570 -0.001 0.000 0.277 540 c C 2.526 176.646 174.090 0.050 0.000 1.280 540 c CA 0.814 57.085 56.329 -0.097 0.000 1.744 540 c CB -1.034 41.289 42.510 -0.312 0.000 1.989 540 c HN 0.594 nan 8.230 nan 0.000 0.491 541 D N 0.709 121.118 120.400 0.014 0.000 2.104 541 D HA -0.123 4.517 4.640 -0.001 0.000 0.194 541 D C 2.097 178.443 176.300 0.077 0.000 0.994 541 D CA 1.262 55.289 54.000 0.045 0.000 0.830 541 D CB -0.476 40.341 40.800 0.027 0.000 0.959 541 D HN 0.615 nan 8.370 nan 0.000 0.452 542 E N -0.123 120.129 120.200 0.087 0.000 2.077 542 E HA -0.156 4.194 4.350 -0.001 0.000 0.193 542 E C 2.056 178.767 176.600 0.185 0.000 0.989 542 E CA 0.480 56.946 56.400 0.111 0.000 0.800 542 E CB -0.193 29.563 29.700 0.093 0.000 0.746 542 E HN 0.456 nan 8.360 nan 0.000 0.452 543 W N 2.057 123.396 121.300 0.066 0.000 2.355 543 W HA -0.157 4.503 4.660 -0.001 0.000 0.309 543 W C 1.829 178.486 176.519 0.230 0.000 1.206 543 W CA 1.179 58.612 57.345 0.148 0.000 1.284 543 W CB -0.104 29.394 29.460 0.064 0.000 1.145 543 W HN -0.034 nan 8.180 nan 0.000 0.502 544 R N 0.180 120.753 120.500 0.120 0.000 2.115 544 R HA -0.110 4.229 4.340 -0.001 0.000 0.230 544 R C 2.443 178.736 176.300 -0.012 0.000 1.111 544 R CA 1.377 57.500 56.100 0.038 0.000 0.976 544 R CB -0.622 29.744 30.300 0.109 0.000 0.870 544 R HN 0.157 nan 8.270 nan 0.000 0.445 545 A N 0.140 122.965 122.820 0.009 0.000 1.968 545 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 545 A C 1.890 179.443 177.584 -0.053 0.000 1.169 545 A CA 0.888 52.920 52.037 -0.009 0.000 0.638 545 A CB -0.490 18.524 19.000 0.023 0.000 0.812 545 A HN 0.451 nan 8.150 nan 0.000 0.446 546 Y N -1.131 119.067 120.300 -0.171 0.000 2.184 546 Y HA -0.196 4.353 4.550 -0.001 0.000 0.290 546 Y C 2.286 178.010 175.900 -0.293 0.000 1.129 546 Y CA 1.563 59.527 58.100 -0.227 0.000 1.144 546 Y CB -0.597 37.719 38.460 -0.239 0.000 0.995 546 Y HN 0.518 nan 8.280 nan 0.000 0.513 547 W N 2.426 123.232 121.300 -0.824 0.000 2.321 547 W HA -0.194 4.466 4.660 -0.001 0.000 0.306 547 W C -1.010 175.179 176.519 -0.549 0.000 1.217 547 W CA 1.776 58.632 57.345 -0.816 0.000 1.257 547 W CB -1.419 27.672 29.460 -0.616 0.000 1.145 547 W HN 0.195 nan 8.180 nan 0.000 0.509 548 P HA -0.146 nan 4.420 nan 0.000 0.223 548 P C 1.513 178.482 177.300 -0.553 0.000 1.144 548 P CA 2.732 65.538 63.100 -0.489 0.000 0.783 548 P CB -0.493 31.065 31.700 -0.235 0.000 0.771 549 T N -5.869 108.292 114.554 -0.655 0.000 3.107 549 T HA 0.072 4.422 4.350 -0.001 0.000 0.249 549 T C 0.775 175.086 174.700 -0.648 0.000 1.096 549 T CA -0.314 61.455 62.100 -0.551 0.000 1.012 549 T CB -0.978 67.633 68.868 -0.428 0.000 0.977 549 T HN -0.093 nan 8.240 nan 0.000 0.527 550 N N 3.251 121.395 118.700 -0.927 0.000 2.483 550 N HA 0.197 4.937 4.740 -0.001 0.000 0.264 550 N C -1.247 173.943 175.510 -0.532 0.000 1.197 550 N CA -1.607 51.030 53.050 -0.689 0.000 0.927 550 N CB 1.192 39.198 38.487 -0.801 0.000 1.065 550 N HN 0.065 nan 8.380 nan 0.000 0.461 551 P HA 0.018 nan 4.420 nan 0.000 0.236 551 P C -0.887 176.158 177.300 -0.425 0.000 1.177 551 P CA 0.832 63.633 63.100 -0.497 0.000 0.773 551 P CB 0.206 31.516 31.700 -0.650 0.000 0.878 552 Y N 1.010 121.283 120.300 -0.044 0.000 2.509 552 Y HA 0.504 5.054 4.550 -0.001 0.000 0.341 552 Y C -1.972 173.992 175.900 0.107 0.000 1.038 552 Y CA -3.503 54.633 58.100 0.061 0.000 1.089 552 Y CB 0.400 38.959 38.460 0.164 0.000 1.241 552 Y HN -0.168 nan 8.280 nan 0.000 0.468 553 P HA 0.220 nan 4.420 nan 0.000 0.278 553 P C -1.145 176.456 177.300 0.501 0.000 1.258 553 P CA -0.881 62.442 63.100 0.371 0.000 0.811 553 P CB 1.311 33.156 31.700 0.242 0.000 1.063 554 K N 1.553 122.267 120.400 0.522 0.000 2.297 554 K HA 0.243 4.562 4.320 -0.001 0.000 0.286 554 K C 0.732 177.414 176.600 0.136 0.000 1.053 554 K CA -0.352 56.107 56.287 0.286 0.000 0.940 554 K CB -0.064 32.378 32.500 -0.096 0.000 1.019 554 K HN 0.463 nan 8.250 nan 0.000 0.475 555 I N -0.207 120.435 120.570 0.120 0.000 4.082 555 I HA 0.271 4.440 4.170 -0.001 0.000 0.337 555 I C -0.370 175.779 176.117 0.054 0.000 1.352 555 I CA -0.446 60.915 61.300 0.101 0.000 1.097 555 I CB 0.247 38.337 38.000 0.150 0.000 1.048 555 I HN 0.547 nan 8.210 nan 0.000 0.393 556 D N 0.043 120.444 120.400 0.002 0.000 3.076 556 D HA 0.208 4.848 4.640 -0.001 0.000 0.301 556 D C 1.020 177.260 176.300 -0.100 0.000 1.260 556 D CA 0.251 54.248 54.000 -0.005 0.000 1.027 556 D CB 0.219 41.054 40.800 0.059 0.000 1.370 556 D HN -0.080 nan 8.370 nan 0.000 0.602 557 S N -1.927 113.728 115.700 -0.075 0.000 2.453 557 S HA 0.273 4.742 4.470 -0.001 0.000 0.231 557 S C 1.835 176.271 174.600 -0.273 0.000 1.005 557 S CA 1.181 59.295 58.200 -0.144 0.000 0.949 557 S CB -0.657 62.493 63.200 -0.084 0.000 0.774 557 S HN 1.639 nan 8.310 nan 0.000 0.510 558 G N 0.300 108.952 108.800 -0.247 0.000 2.195 558 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.224 558 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.224 558 G C -0.071 174.885 174.900 0.093 0.000 0.990 558 G CA 0.197 45.130 45.100 -0.279 0.000 0.639 558 G HN 0.504 nan 8.290 nan 0.000 0.514 559 L N 0.000 121.241 121.223 0.030 0.000 2.949 559 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 559 L CA 0.000 54.899 54.840 0.098 0.000 0.813 559 L CB 0.000 42.002 42.059 -0.096 0.000 0.961 559 L HN 0.000 nan 8.230 nan 0.000 0.502