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 1gw0_1_A DATA FIRST_RESID 1 DATA SEQUENCE EPTcNTPSNR AcWSDGFDIN TDYEVSTPDT GVTQSYVFNL TEVDNWMGPD DATA SEQUENCE GVVKEKVMLI NGNIMGPNIV ANWGDTVEVT VINNLVTNGT SIHWHGIHQK 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 0.000 176.312 176.600 -0.480 0.000 1.382 1 E CA 0.000 56.335 56.400 -0.109 0.000 0.976 1 E CB 0.000 29.657 29.700 -0.071 0.000 0.812 2 P HA 0.029 nan 4.420 nan 0.000 0.269 2 P C 0.079 177.021 177.300 -0.598 0.000 1.215 2 P CA 0.520 62.847 63.100 -1.289 0.000 0.780 2 P CB 1.275 32.093 31.700 -1.470 0.000 0.898 3 T N -3.011 111.256 114.554 -0.477 0.000 3.154 3 T HA 0.018 3.533 4.350 -1.391 0.000 0.258 3 T C 1.166 175.759 174.700 -0.178 0.000 0.899 3 T CA 0.438 62.385 62.100 -0.255 0.000 0.908 3 T CB -0.705 68.051 68.868 -0.187 0.000 1.260 3 T HN 0.572 nan 8.240 nan 0.000 0.521 4 c N 1.420 119.917 118.600 -0.171 0.000 3.255 4 c HA 0.506 4.241 4.570 -1.391 0.000 0.282 4 c C 0.566 174.624 174.090 -0.053 0.000 1.441 4 c CA -1.271 55.008 56.329 -0.083 0.000 1.785 4 c CB -1.760 40.728 42.510 -0.036 0.000 2.583 4 c HN 0.519 nan 8.230 nan 0.000 0.615 5 N N 3.300 121.947 118.700 -0.087 0.000 2.415 5 N HA 0.216 4.121 4.740 -1.391 0.000 0.250 5 N C -0.194 175.296 175.510 -0.035 0.000 1.127 5 N CA 0.807 53.861 53.050 0.006 0.000 0.945 5 N CB 0.912 39.456 38.487 0.096 0.000 1.196 5 N HN 0.775 nan 8.380 nan 0.000 0.499 6 T N 1.044 115.569 114.554 -0.049 0.000 2.930 6 T HA 0.427 3.943 4.350 -1.391 0.000 0.290 6 T C -1.986 172.638 174.700 -0.126 0.000 1.052 6 T CA -1.773 60.283 62.100 -0.073 0.000 1.017 6 T CB 1.966 70.799 68.868 -0.057 0.000 1.137 6 T HN 0.060 nan 8.240 nan 0.000 0.511 7 P HA -0.152 nan 4.420 nan 0.000 0.217 7 P C 1.509 178.713 177.300 -0.160 0.000 1.151 7 P CA 1.552 64.549 63.100 -0.172 0.000 0.849 7 P CB -0.017 31.623 31.700 -0.100 0.000 0.787 8 S N -3.792 111.849 115.700 -0.099 0.000 2.575 8 S HA 0.116 3.751 4.470 -1.391 0.000 0.215 8 S C 0.843 175.408 174.600 -0.059 0.000 0.966 8 S CA -0.080 58.079 58.200 -0.069 0.000 0.911 8 S CB -0.571 62.604 63.200 -0.042 0.000 0.780 8 S HN -0.022 nan 8.310 nan 0.000 0.514 9 N N 0.999 119.657 118.700 -0.071 0.000 2.726 9 N HA 0.301 4.206 4.740 -1.391 0.000 0.253 9 N C 0.212 175.697 175.510 -0.041 0.000 1.530 9 N CA -0.350 52.677 53.050 -0.038 0.000 0.772 9 N CB 0.561 39.040 38.487 -0.014 0.000 1.220 9 N HN -0.014 nan 8.380 nan 0.000 0.508 10 R N 0.373 120.825 120.500 -0.080 0.000 2.275 10 R HA 0.198 3.703 4.340 -1.391 0.000 0.199 10 R C 1.429 177.756 176.300 0.044 0.000 0.989 10 R CA 0.601 56.659 56.100 -0.070 0.000 1.016 10 R CB -0.302 29.863 30.300 -0.224 0.000 0.918 10 R HN 0.462 nan 8.270 nan 0.000 0.473 11 A N 0.457 123.308 122.820 0.052 0.000 2.015 11 A HA -0.088 3.397 4.320 -1.391 0.000 0.219 11 A C 1.219 178.886 177.584 0.139 0.000 1.163 11 A CA 0.478 52.568 52.037 0.088 0.000 0.646 11 A CB -0.248 18.798 19.000 0.078 0.000 0.806 11 A HN 0.335 nan 8.150 nan 0.000 0.448 12 c N -1.220 117.463 118.600 0.138 0.000 2.536 12 c HA 0.452 4.187 4.570 -1.391 0.000 0.396 12 c C 1.063 175.341 174.090 0.312 0.000 1.279 12 c CA -0.544 55.893 56.329 0.180 0.000 2.148 12 c CB 0.034 42.602 42.510 0.096 0.000 2.584 12 c HN 0.695 nan 8.230 nan 0.000 0.579 13 W N 2.446 123.802 121.300 0.093 0.000 4.366 13 W HA 0.289 4.117 4.660 -1.385 0.000 0.201 13 W C 0.285 176.860 176.519 0.094 0.000 0.994 13 W CA 0.573 57.983 57.345 0.108 0.000 2.324 13 W CB -0.423 29.170 29.460 0.221 0.000 1.011 13 W HN 0.758 nan 8.180 nan 0.000 0.846 14 S N 0.642 116.447 115.700 0.174 0.000 2.615 14 S HA 0.249 3.884 4.470 -1.391 0.000 0.269 14 S C -1.344 173.353 174.600 0.161 0.000 1.161 14 S CA -0.781 57.444 58.200 0.040 0.000 0.817 14 S CB 1.870 65.060 63.200 -0.016 0.000 1.131 14 S HN 0.074 nan 8.310 nan 0.000 0.467 15 D N 0.992 121.444 120.400 0.086 0.000 2.520 15 D HA 0.390 4.195 4.640 -1.391 0.000 0.243 15 D C 1.454 177.763 176.300 0.016 0.000 1.160 15 D CA 2.202 56.232 54.000 0.049 0.000 0.877 15 D CB 0.291 41.101 40.800 0.016 0.000 1.150 15 D HN 1.348 nan 8.370 nan 0.000 0.494 16 G N 1.868 110.614 108.800 -0.091 0.000 2.179 16 G HA2 -0.273 2.852 3.960 -1.391 0.000 0.260 16 G HA3 -0.273 2.852 3.960 -1.391 0.000 0.260 16 G C 0.041 174.536 174.900 -0.675 0.000 0.977 16 G CA -0.277 44.599 45.100 -0.372 0.000 0.641 16 G HN 0.440 nan 8.290 nan 0.000 0.533 17 F N 1.461 121.475 119.950 0.107 0.000 2.617 17 F HA 0.572 4.265 4.527 -1.390 0.000 0.325 17 F C -0.171 175.855 175.800 0.376 0.000 1.179 17 F CA -0.456 57.663 58.000 0.199 0.000 0.965 17 F CB 2.087 41.069 39.000 -0.030 0.000 1.232 17 F HN 0.239 nan 8.300 nan 0.000 0.461 18 D N 1.425 122.154 120.400 0.549 0.000 2.752 18 D HA 0.241 4.046 4.640 -1.391 0.000 0.313 18 D C 0.474 176.978 176.300 0.340 0.000 1.225 18 D CA -0.682 53.561 54.000 0.405 0.000 0.976 18 D CB 0.580 41.530 40.800 0.251 0.000 1.443 18 D HN 0.294 nan 8.370 nan 0.000 0.515 19 I N 0.097 120.792 120.570 0.208 0.000 2.530 19 I HA -0.126 3.209 4.170 -1.391 0.000 0.257 19 I C 0.720 176.979 176.117 0.237 0.000 1.179 19 I CA 1.491 62.905 61.300 0.189 0.000 1.440 19 I CB -0.751 37.332 38.000 0.138 0.000 1.087 19 I HN 0.412 nan 8.210 nan 0.000 0.440 20 N N -1.293 117.535 118.700 0.214 0.000 2.353 20 N HA 0.052 3.957 4.740 -1.391 0.000 0.185 20 N C 0.115 175.745 175.510 0.199 0.000 1.098 20 N CA 0.113 53.270 53.050 0.179 0.000 0.872 20 N CB 0.136 38.700 38.487 0.128 0.000 0.970 20 N HN 0.197 nan 8.380 nan 0.000 0.467 21 T N 0.903 115.635 114.554 0.296 0.000 2.916 21 T HA -0.062 3.453 4.350 -1.391 0.000 0.303 21 T C -0.043 174.839 174.700 0.304 0.000 1.025 21 T CA 0.018 62.316 62.100 0.330 0.000 1.142 21 T CB 0.731 69.939 68.868 0.566 0.000 0.947 21 T HN 0.037 nan 8.240 nan 0.000 0.544 22 D N 2.771 123.268 120.400 0.162 0.000 2.441 22 D HA -0.001 3.804 4.640 -1.391 0.000 0.243 22 D C 1.135 177.466 176.300 0.052 0.000 1.257 22 D CA -0.547 53.444 54.000 -0.016 0.000 1.027 22 D CB -0.051 40.733 40.800 -0.027 0.000 1.084 22 D HN 0.677 nan 8.370 nan 0.000 0.514 23 Y N 1.278 121.752 120.300 0.291 0.000 2.556 23 Y HA -0.053 3.663 4.550 -1.389 0.000 0.290 23 Y C 1.532 177.581 175.900 0.248 0.000 1.149 23 Y CA 0.680 59.012 58.100 0.386 0.000 1.329 23 Y CB -0.494 38.035 38.460 0.114 0.000 0.975 23 Y HN 0.273 nan 8.280 nan 0.000 0.561 24 E N 0.301 120.415 120.200 -0.143 0.000 2.358 24 E HA -0.021 3.495 4.350 -1.391 0.000 0.195 24 E C 1.452 178.092 176.600 0.066 0.000 1.010 24 E CA 1.062 57.469 56.400 0.012 0.000 0.856 24 E CB 0.193 29.809 29.700 -0.140 0.000 0.795 24 E HN 0.581 nan 8.360 nan 0.000 0.504 25 V N -4.018 115.944 119.914 0.078 0.000 3.451 25 V HA 0.293 3.578 4.120 -1.391 0.000 0.288 25 V C 0.271 176.446 176.094 0.135 0.000 1.502 25 V CA -0.511 61.840 62.300 0.084 0.000 1.026 25 V CB 1.387 33.232 31.823 0.037 0.000 0.840 25 V HN -0.052 nan 8.190 nan 0.000 0.437 26 S N 0.717 116.550 115.700 0.221 0.000 2.647 26 S HA 0.742 4.377 4.470 -1.391 0.000 0.300 26 S C -0.481 174.363 174.600 0.407 0.000 1.129 26 S CA -0.019 58.355 58.200 0.289 0.000 1.029 26 S CB 1.638 65.001 63.200 0.273 0.000 1.007 26 S HN 0.546 nan 8.310 nan 0.000 0.484 27 T N 6.573 121.283 114.554 0.260 0.000 2.861 27 T HA 0.594 4.109 4.350 -1.391 0.000 0.287 27 T C -2.853 171.657 174.700 -0.317 0.000 1.003 27 T CA -1.165 60.931 62.100 -0.007 0.000 0.977 27 T CB 1.831 70.728 68.868 0.048 0.000 0.996 27 T HN 0.486 nan 8.240 nan 0.000 0.448 28 P HA 0.242 nan 4.420 nan 0.000 0.280 28 P C -1.146 175.879 177.300 -0.458 0.000 1.244 28 P CA -0.423 61.996 63.100 -1.133 0.000 0.784 28 P CB 0.776 31.349 31.700 -1.878 0.000 0.913 29 D N 2.106 122.380 120.400 -0.210 0.000 2.373 29 D HA 0.068 3.873 4.640 -1.391 0.000 0.227 29 D C 0.711 176.946 176.300 -0.107 0.000 1.091 29 D CA -0.433 53.492 54.000 -0.125 0.000 0.840 29 D CB 1.190 41.956 40.800 -0.057 0.000 1.060 29 D HN 0.302 nan 8.370 nan 0.000 0.502 30 T N -0.918 113.573 114.554 -0.105 0.000 3.057 30 T HA 0.255 3.770 4.350 -1.391 0.000 0.254 30 T C 1.693 176.357 174.700 -0.060 0.000 1.094 30 T CA 0.584 62.637 62.100 -0.078 0.000 1.088 30 T CB -0.124 68.706 68.868 -0.062 0.000 0.934 30 T HN 0.741 nan 8.240 nan 0.000 0.497 31 G N 0.896 109.659 108.800 -0.061 0.000 2.189 31 G HA2 -0.249 2.876 3.960 -1.391 0.000 0.267 31 G HA3 -0.249 2.876 3.960 -1.391 0.000 0.267 31 G C 0.128 174.992 174.900 -0.060 0.000 0.975 31 G CA 0.226 45.293 45.100 -0.055 0.000 0.644 31 G HN 0.724 nan 8.290 nan 0.000 0.537 32 V N 0.864 120.741 119.914 -0.062 0.000 2.567 32 V HA 0.687 3.973 4.120 -1.391 0.000 0.289 32 V C 0.566 176.608 176.094 -0.086 0.000 1.049 32 V CA 0.292 62.553 62.300 -0.065 0.000 0.969 32 V CB 1.760 33.553 31.823 -0.049 0.000 0.995 32 V HN 0.266 nan 8.190 nan 0.000 0.471 33 T N 4.091 118.586 114.554 -0.098 0.000 2.848 33 T HA 0.392 3.907 4.350 -1.391 0.000 0.285 33 T C -0.817 173.802 174.700 -0.135 0.000 0.995 33 T CA -0.550 61.471 62.100 -0.133 0.000 0.970 33 T CB 1.488 70.273 68.868 -0.137 0.000 0.976 33 T HN 0.531 nan 8.240 nan 0.000 0.441 34 Q N 2.155 121.864 119.800 -0.151 0.000 2.372 34 Q HA 0.511 4.017 4.340 -1.391 0.000 0.259 34 Q C -0.551 175.341 176.000 -0.179 0.000 0.993 34 Q CA -0.312 55.405 55.803 -0.143 0.000 0.854 34 Q CB 1.856 30.585 28.738 -0.014 0.000 1.231 34 Q HN 0.592 nan 8.270 nan 0.000 0.462 35 S N 2.374 117.894 115.700 -0.301 0.000 2.608 35 S HA 0.761 4.396 4.470 -1.391 0.000 0.291 35 S C -0.901 173.398 174.600 -0.502 0.000 1.146 35 S CA -0.352 57.689 58.200 -0.264 0.000 1.043 35 S CB 0.715 63.800 63.200 -0.192 0.000 1.037 35 S HN 0.374 nan 8.310 nan 0.000 0.520 36 Y N -0.600 119.624 120.300 -0.128 0.000 2.597 36 Y HA 0.560 4.282 4.550 -1.380 0.000 0.340 36 Y C -0.752 175.095 175.900 -0.088 0.000 1.097 36 Y CA -1.007 57.057 58.100 -0.061 0.000 1.037 36 Y CB 1.458 39.890 38.460 -0.047 0.000 1.305 36 Y HN 0.327 nan 8.280 nan 0.000 0.463 37 V N 2.806 122.851 119.914 0.217 0.000 2.525 37 V HA 0.404 3.689 4.120 -1.391 0.000 0.299 37 V C -1.044 175.314 176.094 0.440 0.000 1.034 37 V CA -0.996 61.412 62.300 0.180 0.000 0.863 37 V CB 1.497 33.396 31.823 0.126 0.000 0.999 37 V HN 0.619 nan 8.190 nan 0.000 0.423 38 F N 3.699 123.721 119.950 0.120 0.000 2.361 38 F HA 0.438 4.125 4.527 -1.400 0.000 0.364 38 F C 0.471 176.318 175.800 0.077 0.000 1.117 38 F CA -0.619 57.442 58.000 0.102 0.000 1.071 38 F CB 1.526 40.584 39.000 0.097 0.000 1.188 38 F HN 0.465 nan 8.300 nan 0.000 0.464 39 N N 5.820 124.656 118.700 0.228 0.000 2.457 39 N HA 0.301 4.206 4.740 -1.391 0.000 0.250 39 N C -1.143 174.416 175.510 0.081 0.000 0.982 39 N CA -0.312 52.816 53.050 0.129 0.000 0.941 39 N CB 0.837 39.382 38.487 0.096 0.000 1.120 39 N HN 0.555 nan 8.380 nan 0.000 0.505 40 L N 3.175 124.439 121.223 0.068 0.000 2.257 40 L HA 0.394 3.899 4.340 -1.391 0.000 0.290 40 L C 0.626 177.502 176.870 0.009 0.000 1.044 40 L CA -0.567 54.290 54.840 0.028 0.000 0.810 40 L CB 0.872 42.947 42.059 0.027 0.000 1.193 40 L HN 0.535 nan 8.230 nan 0.000 0.425 41 T N -0.738 113.812 114.554 -0.005 0.000 2.924 41 T HA 0.437 3.952 4.350 -1.391 0.000 0.291 41 T C -0.563 174.127 174.700 -0.017 0.000 1.045 41 T CA -0.875 61.222 62.100 -0.004 0.000 1.015 41 T CB 2.613 71.482 68.868 0.003 0.000 1.103 41 T HN 0.538 nan 8.240 nan 0.000 0.496 42 E N 1.280 121.481 120.200 0.001 0.000 2.092 42 E HA 0.534 4.049 4.350 -1.391 0.000 0.271 42 E C -1.352 175.259 176.600 0.019 0.000 0.919 42 E CA -0.809 55.597 56.400 0.010 0.000 0.760 42 E CB 1.005 30.726 29.700 0.036 0.000 1.106 42 E HN 0.536 nan 8.360 nan 0.000 0.408 43 V N 5.091 125.007 119.914 0.004 0.000 2.384 43 V HA 0.237 3.522 4.120 -1.391 0.000 0.287 43 V C -0.309 175.843 176.094 0.096 0.000 1.020 43 V CA -0.908 61.419 62.300 0.046 0.000 0.850 43 V CB 1.546 33.382 31.823 0.023 0.000 0.987 43 V HN 0.706 nan 8.190 nan 0.000 0.436 44 D N 4.203 124.669 120.400 0.109 0.000 2.210 44 D HA 0.260 4.065 4.640 -1.391 0.000 0.249 44 D C 0.341 176.728 176.300 0.146 0.000 1.062 44 D CA -0.132 53.938 54.000 0.117 0.000 0.891 44 D CB 0.862 41.715 40.800 0.087 0.000 1.186 44 D HN 0.573 nan 8.370 nan 0.000 0.432 45 N N 1.263 120.050 118.700 0.145 0.000 2.696 45 N HA -0.237 3.668 4.740 -1.391 0.000 0.256 45 N C -0.928 174.688 175.510 0.176 0.000 1.031 45 N CA 0.374 53.500 53.050 0.127 0.000 0.730 45 N CB -1.115 37.417 38.487 0.074 0.000 0.894 45 N HN 0.549 nan 8.380 nan 0.000 0.544 46 W N 1.735 123.054 121.300 0.032 0.000 2.338 46 W HA 0.461 4.288 4.660 -1.389 0.000 0.307 46 W C 0.588 177.131 176.519 0.039 0.000 1.167 46 W CA -0.941 56.428 57.345 0.040 0.000 1.208 46 W CB 0.490 29.985 29.460 0.058 0.000 1.228 46 W HN 0.205 nan 8.180 nan 0.000 0.499 47 M N 7.336 126.573 119.600 -0.606 0.000 2.162 47 M HA 0.388 4.033 4.480 -1.391 0.000 0.356 47 M C 0.620 176.195 176.300 -1.209 0.000 1.303 47 M CA 0.346 55.261 55.300 -0.641 0.000 1.116 47 M CB 0.245 32.594 32.600 -0.417 0.000 1.632 47 M HN 0.636 nan 8.290 nan 0.000 0.469 48 G N 4.316 112.652 108.800 -0.773 0.000 2.588 48 G HA2 0.402 3.527 3.960 -1.391 0.000 0.281 48 G HA3 0.402 3.527 3.960 -1.391 0.000 0.281 48 G C -1.942 172.712 174.900 -0.410 0.000 1.236 48 G CA -1.065 43.625 45.100 -0.683 0.000 0.969 48 G HN 0.677 nan 8.290 nan 0.000 0.504 49 P HA -0.026 nan 4.420 nan 0.000 0.230 49 P C 0.385 177.584 177.300 -0.169 0.000 1.158 49 P CA 1.156 64.131 63.100 -0.208 0.000 0.769 49 P CB 0.298 31.885 31.700 -0.188 0.000 0.807 50 D N -1.922 118.401 120.400 -0.129 0.000 2.398 50 D HA 0.151 3.956 4.640 -1.391 0.000 0.210 50 D C 1.421 177.682 176.300 -0.066 0.000 1.094 50 D CA 0.373 54.332 54.000 -0.069 0.000 0.839 50 D CB -0.102 40.710 40.800 0.020 0.000 0.963 50 D HN 0.232 nan 8.370 nan 0.000 0.506 51 G N -0.280 108.455 108.800 -0.109 0.000 2.307 51 G HA2 -0.223 2.902 3.960 -1.391 0.000 0.210 51 G HA3 -0.223 2.902 3.960 -1.391 0.000 0.210 51 G C 0.098 174.905 174.900 -0.156 0.000 1.005 51 G CA -0.015 45.011 45.100 -0.124 0.000 0.634 51 G HN 0.316 nan 8.290 nan 0.000 0.496 52 V N 1.983 121.787 119.914 -0.183 0.000 2.686 52 V HA 0.466 3.752 4.120 -1.391 0.000 0.295 52 V C 0.937 176.883 176.094 -0.248 0.000 1.055 52 V CA -0.332 61.782 62.300 -0.311 0.000 1.050 52 V CB 1.754 33.124 31.823 -0.754 0.000 0.984 52 V HN 0.331 nan 8.190 nan 0.000 0.482 53 V N 6.101 125.890 119.914 -0.209 0.000 2.368 53 V HA 0.254 3.540 4.120 -1.391 0.000 0.266 53 V C 0.515 176.580 176.094 -0.049 0.000 1.045 53 V CA -0.799 61.429 62.300 -0.119 0.000 0.899 53 V CB 0.622 32.394 31.823 -0.085 0.000 1.006 53 V HN 0.775 nan 8.190 nan 0.000 0.470 54 K N 3.391 123.842 120.400 0.086 0.000 2.237 54 K HA 0.148 3.633 4.320 -1.391 0.000 0.270 54 K C 1.245 177.933 176.600 0.147 0.000 1.015 54 K CA -0.262 56.117 56.287 0.153 0.000 0.949 54 K CB 1.584 34.270 32.500 0.311 0.000 0.976 54 K HN 0.774 nan 8.250 nan 0.000 0.472 55 E N 2.076 122.340 120.200 0.106 0.000 2.110 55 E HA -0.177 3.339 4.350 -1.391 0.000 0.193 55 E C -0.100 176.565 176.600 0.109 0.000 0.988 55 E CA 1.453 57.906 56.400 0.088 0.000 0.804 55 E CB 0.385 30.122 29.700 0.062 0.000 0.745 55 E HN 0.419 nan 8.360 nan 0.000 0.458 56 K N -0.361 120.113 120.400 0.122 0.000 2.572 56 K HA 0.305 3.790 4.320 -1.391 0.000 0.263 56 K C -1.543 175.111 176.600 0.089 0.000 0.932 56 K CA -0.531 55.820 56.287 0.107 0.000 0.838 56 K CB 2.108 34.657 32.500 0.081 0.000 1.366 56 K HN 0.021 nan 8.250 nan 0.000 0.425 57 V N -0.280 119.652 119.914 0.030 0.000 3.159 57 V HA 0.678 3.963 4.120 -1.391 0.000 0.308 57 V C -1.061 174.972 176.094 -0.101 0.000 1.190 57 V CA -1.129 61.127 62.300 -0.074 0.000 1.037 57 V CB 2.106 33.751 31.823 -0.296 0.000 1.060 57 V HN 0.834 nan 8.190 nan 0.000 0.437 58 M N 3.133 122.670 119.600 -0.105 0.000 2.134 58 M HA 0.662 4.307 4.480 -1.391 0.000 0.310 58 M C -1.336 174.892 176.300 -0.120 0.000 0.966 58 M CA -0.197 55.059 55.300 -0.075 0.000 0.922 58 M CB 1.850 34.445 32.600 -0.008 0.000 1.537 58 M HN 0.581 nan 8.290 nan 0.000 0.424 59 L N 3.876 125.018 121.223 -0.135 0.000 2.342 59 L HA 0.681 4.186 4.340 -1.391 0.000 0.271 59 L C -0.684 176.133 176.870 -0.088 0.000 1.008 59 L CA -0.927 53.825 54.840 -0.147 0.000 0.818 59 L CB 2.351 44.281 42.059 -0.214 0.000 1.296 59 L HN 0.646 nan 8.230 nan 0.000 0.427 60 I N 2.950 123.458 120.570 -0.103 0.000 2.304 60 I HA 0.209 3.544 4.170 -1.391 0.000 0.291 60 I C -0.193 175.876 176.117 -0.081 0.000 1.018 60 I CA -0.337 60.892 61.300 -0.118 0.000 1.260 60 I CB 0.739 38.572 38.000 -0.279 0.000 1.390 60 I HN 0.679 nan 8.210 nan 0.000 0.475 61 N N 5.159 123.847 118.700 -0.019 0.000 2.727 61 N HA -0.197 3.708 4.740 -1.391 0.000 0.249 61 N C 0.972 176.492 175.510 0.017 0.000 1.048 61 N CA 1.231 54.293 53.050 0.021 0.000 0.714 61 N CB -1.298 37.216 38.487 0.044 0.000 0.959 61 N HN 1.120 nan 8.380 nan 0.000 0.544 62 G N -1.499 107.301 108.800 -0.001 0.000 2.180 62 G HA2 -0.368 2.757 3.960 -1.391 0.000 0.263 62 G HA3 -0.368 2.757 3.960 -1.391 0.000 0.263 62 G C 0.038 174.956 174.900 0.030 0.000 0.989 62 G CA 0.708 45.815 45.100 0.012 0.000 0.692 62 G HN 0.596 nan 8.290 nan 0.000 0.526 63 N N -0.910 117.790 118.700 0.000 0.000 2.362 63 N HA 0.446 4.351 4.740 -1.391 0.000 0.299 63 N C 1.340 176.834 175.510 -0.027 0.000 1.170 63 N CA -0.365 52.706 53.050 0.035 0.000 0.825 63 N CB 1.579 40.090 38.487 0.040 0.000 1.299 63 N HN 0.016 nan 8.380 nan 0.000 0.502 64 I N 0.111 120.709 120.570 0.046 0.000 2.315 64 I HA -0.136 3.199 4.170 -1.391 0.000 0.251 64 I C 0.202 176.295 176.117 -0.040 0.000 1.125 64 I CA 1.468 62.764 61.300 -0.006 0.000 1.392 64 I CB 0.236 38.338 38.000 0.170 0.000 1.065 64 I HN 0.402 nan 8.210 nan 0.000 0.424 65 M N -0.768 118.816 119.600 -0.025 0.000 2.572 65 M HA 0.386 4.031 4.480 -1.391 0.000 0.299 65 M C 0.262 176.525 176.300 -0.062 0.000 1.205 65 M CA -0.503 54.765 55.300 -0.053 0.000 0.876 65 M CB 1.854 34.424 32.600 -0.050 0.000 1.728 65 M HN 0.025 nan 8.290 nan 0.000 0.458 66 G N 1.495 110.237 108.800 -0.096 0.000 2.683 66 G HA2 0.422 3.547 3.960 -1.391 0.000 0.260 66 G HA3 0.422 3.547 3.960 -1.391 0.000 0.260 66 G C -2.628 172.271 174.900 -0.002 0.000 1.238 66 G CA -0.789 44.230 45.100 -0.135 0.000 0.934 66 G HN 0.403 nan 8.290 nan 0.000 0.534 67 P HA 0.084 nan 4.420 nan 0.000 0.275 67 P C -0.695 176.727 177.300 0.204 0.000 1.228 67 P CA -0.568 62.624 63.100 0.153 0.000 0.786 67 P CB 0.791 32.650 31.700 0.265 0.000 0.927 68 N N 2.507 121.312 118.700 0.176 0.000 2.431 68 N HA 0.140 4.045 4.740 -1.391 0.000 0.265 68 N C 0.367 175.969 175.510 0.153 0.000 1.184 68 N CA 0.117 53.270 53.050 0.171 0.000 0.943 68 N CB 0.016 38.582 38.487 0.132 0.000 1.080 68 N HN 0.407 nan 8.380 nan 0.000 0.477 69 I N 2.078 122.712 120.570 0.105 0.000 2.529 69 I HA 0.101 3.436 4.170 -1.391 0.000 0.284 69 I C 0.005 176.194 176.117 0.120 0.000 1.082 69 I CA -0.275 60.967 61.300 -0.097 0.000 1.406 69 I CB 0.694 38.626 38.000 -0.115 0.000 1.405 69 I HN 0.018 nan 8.210 nan 0.000 0.548 70 V N 5.789 125.834 119.914 0.219 0.000 2.623 70 V HA 0.842 4.127 4.120 -1.391 0.000 0.304 70 V C -0.220 175.983 176.094 0.182 0.000 1.054 70 V CA -0.407 62.009 62.300 0.194 0.000 0.882 70 V CB 1.517 33.452 31.823 0.187 0.000 1.002 70 V HN 0.928 nan 8.190 nan 0.000 0.424 71 A N 4.220 127.124 122.820 0.141 0.000 2.557 71 A HA 0.788 4.273 4.320 -1.391 0.000 0.292 71 A C -1.203 176.471 177.584 0.149 0.000 1.139 71 A CA -0.838 51.270 52.037 0.117 0.000 0.665 71 A CB 1.509 20.546 19.000 0.062 0.000 1.285 71 A HN 0.758 nan 8.150 nan 0.000 0.433 72 N N -0.557 118.241 118.700 0.164 0.000 2.466 72 N HA 0.392 4.297 4.740 -1.391 0.000 0.294 72 N C -0.998 174.674 175.510 0.270 0.000 1.129 72 N CA -0.471 52.740 53.050 0.269 0.000 0.931 72 N CB 0.951 39.627 38.487 0.314 0.000 1.193 72 N HN 0.693 nan 8.380 nan 0.000 0.500 73 W N 1.806 123.132 121.300 0.043 0.000 2.505 73 W HA 0.197 4.024 4.660 -1.387 0.000 0.332 73 W C 0.989 177.496 176.519 -0.019 0.000 1.434 73 W CA 0.662 57.979 57.345 -0.047 0.000 1.320 73 W CB -0.953 28.333 29.460 -0.290 0.000 1.363 73 W HN 0.795 nan 8.180 nan 0.000 0.565 74 G N 3.458 112.333 108.800 0.124 0.000 2.218 74 G HA2 -0.249 2.876 3.960 -1.391 0.000 0.216 74 G HA3 -0.249 2.876 3.960 -1.391 0.000 0.216 74 G C 0.248 175.118 174.900 -0.051 0.000 0.994 74 G CA -0.025 45.015 45.100 -0.100 0.000 0.637 74 G HN 0.520 nan 8.290 nan 0.000 0.505 75 D N 0.648 121.044 120.400 -0.007 0.000 2.414 75 D HA 0.523 4.328 4.640 -1.391 0.000 0.251 75 D C 0.358 176.595 176.300 -0.105 0.000 1.252 75 D CA 0.615 54.584 54.000 -0.052 0.000 0.999 75 D CB 0.597 41.374 40.800 -0.037 0.000 1.093 75 D HN 0.078 nan 8.370 nan 0.000 0.515 76 T N 0.206 114.660 114.554 -0.166 0.000 2.823 76 T HA 0.428 3.943 4.350 -1.391 0.000 0.279 76 T C -0.269 174.185 174.700 -0.411 0.000 0.998 76 T CA -0.598 61.339 62.100 -0.271 0.000 0.994 76 T CB 1.482 70.215 68.868 -0.224 0.000 0.960 76 T HN -0.034 nan 8.240 nan 0.000 0.448 77 V N 3.170 122.626 119.914 -0.764 0.000 2.459 77 V HA 0.531 3.816 4.120 -1.391 0.000 0.295 77 V C -0.032 175.504 176.094 -0.931 0.000 1.029 77 V CA -0.632 61.102 62.300 -0.945 0.000 0.874 77 V CB 1.642 32.441 31.823 -1.707 0.000 0.985 77 V HN 0.871 nan 8.190 nan 0.000 0.438 78 E N 3.389 123.268 120.200 -0.534 0.000 2.256 78 E HA 0.714 4.229 4.350 -1.391 0.000 0.268 78 E C -2.005 174.442 176.600 -0.256 0.000 0.877 78 E CA -0.459 55.710 56.400 -0.386 0.000 0.757 78 E CB 2.317 31.867 29.700 -0.250 0.000 1.183 78 E HN 0.449 nan 8.360 nan 0.000 0.418 79 V N 3.312 123.087 119.914 -0.232 0.000 2.569 79 V HA 0.308 3.593 4.120 -1.391 0.000 0.301 79 V C -0.411 175.644 176.094 -0.065 0.000 1.044 79 V CA -0.770 61.391 62.300 -0.232 0.000 0.874 79 V CB 2.056 33.592 31.823 -0.479 0.000 1.002 79 V HN 0.737 nan 8.190 nan 0.000 0.424 80 T N 4.582 119.094 114.554 -0.071 0.000 2.728 80 T HA 0.459 3.974 4.350 -1.391 0.000 0.296 80 T C -0.165 174.565 174.700 0.050 0.000 0.940 80 T CA -0.167 61.941 62.100 0.013 0.000 1.013 80 T CB 1.086 69.960 68.868 0.011 0.000 0.912 80 T HN 0.368 nan 8.240 nan 0.000 0.484 81 V N 6.207 126.202 119.914 0.135 0.000 2.347 81 V HA 0.428 3.713 4.120 -1.391 0.000 0.280 81 V C 0.064 176.242 176.094 0.140 0.000 1.021 81 V CA -0.719 61.703 62.300 0.203 0.000 0.847 81 V CB 0.896 32.914 31.823 0.325 0.000 0.990 81 V HN 0.789 nan 8.190 nan 0.000 0.444 82 I N 4.518 125.168 120.570 0.133 0.000 2.330 82 I HA 0.346 3.682 4.170 -1.391 0.000 0.289 82 I C 0.100 176.255 176.117 0.065 0.000 1.001 82 I CA -0.398 60.949 61.300 0.079 0.000 1.193 82 I CB 1.359 39.401 38.000 0.071 0.000 1.345 82 I HN 0.479 nan 8.210 nan 0.000 0.461 83 N N 6.194 124.909 118.700 0.025 0.000 2.521 83 N HA 0.140 4.045 4.740 -1.391 0.000 0.236 83 N C -0.098 175.396 175.510 -0.026 0.000 1.067 83 N CA 0.016 53.060 53.050 -0.011 0.000 0.939 83 N CB 0.289 38.741 38.487 -0.057 0.000 1.201 83 N HN 0.415 nan 8.380 nan 0.000 0.511 84 N N 3.364 122.058 118.700 -0.010 0.000 2.320 84 N HA 0.138 4.043 4.740 -1.391 0.000 0.237 84 N C -0.074 175.427 175.510 -0.015 0.000 1.129 84 N CA -0.077 52.967 53.050 -0.011 0.000 0.854 84 N CB 0.493 38.984 38.487 0.008 0.000 1.083 84 N HN 0.484 nan 8.380 nan 0.000 0.504 85 L N -0.198 121.007 121.223 -0.031 0.000 2.476 85 L HA 0.151 3.656 4.340 -1.391 0.000 0.255 85 L C 1.909 178.770 176.870 -0.014 0.000 1.218 85 L CA -0.398 54.431 54.840 -0.018 0.000 0.819 85 L CB 0.697 42.734 42.059 -0.035 0.000 1.119 85 L HN -0.156 nan 8.230 nan 0.000 0.485 86 V N -0.275 119.654 119.914 0.026 0.000 2.302 86 V HA -0.168 3.117 4.120 -1.391 0.000 0.243 86 V C 1.949 178.073 176.094 0.051 0.000 1.036 86 V CA 2.340 64.663 62.300 0.039 0.000 1.020 86 V CB -0.467 31.399 31.823 0.073 0.000 0.657 86 V HN 1.100 nan 8.190 nan 0.000 0.453 87 T N -4.317 110.307 114.554 0.117 0.000 3.075 87 T HA 0.138 3.653 4.350 -1.391 0.000 0.251 87 T C 0.740 175.586 174.700 0.244 0.000 0.979 87 T CA -0.193 62.032 62.100 0.210 0.000 1.033 87 T CB -0.481 68.552 68.868 0.275 0.000 1.104 87 T HN 0.359 nan 8.240 nan 0.000 0.473 88 N N 1.823 120.628 118.700 0.175 0.000 2.353 88 N HA 0.346 4.251 4.740 -1.391 0.000 0.248 88 N C 0.404 175.686 175.510 -0.380 0.000 1.240 88 N CA 0.184 53.215 53.050 -0.031 0.000 0.862 88 N CB 0.524 38.948 38.487 -0.106 0.000 1.086 88 N HN 0.562 nan 8.380 nan 0.000 0.453 89 G N -0.029 108.167 108.800 -1.007 0.000 2.537 89 G HA2 0.458 3.583 3.960 -1.391 0.000 0.297 89 G HA3 0.458 3.583 3.960 -1.391 0.000 0.297 89 G C -0.482 173.569 174.900 -1.416 0.000 1.310 89 G CA -0.105 44.413 45.100 -0.969 0.000 1.027 89 G HN 0.451 nan 8.290 nan 0.000 0.505 90 T N -1.894 112.165 114.554 -0.826 0.000 2.802 90 T HA 0.611 4.126 4.350 -1.391 0.000 0.311 90 T C -1.362 173.223 174.700 -0.191 0.000 1.405 90 T CA -0.379 61.446 62.100 -0.459 0.000 1.016 90 T CB 1.424 70.142 68.868 -0.248 0.000 1.352 90 T HN 0.693 nan 8.240 nan 0.000 0.498 91 S N 2.004 117.691 115.700 -0.023 0.000 2.562 91 S HA 0.579 4.214 4.470 -1.391 0.000 0.274 91 S C -1.428 173.168 174.600 -0.006 0.000 1.160 91 S CA -0.702 57.541 58.200 0.072 0.000 0.933 91 S CB 0.982 64.239 63.200 0.095 0.000 1.100 91 S HN 0.621 nan 8.310 nan 0.000 0.468 92 I N 3.674 124.127 120.570 -0.196 0.000 2.330 92 I HA 0.321 3.656 4.170 -1.391 0.000 0.289 92 I C 0.093 175.614 176.117 -0.994 0.000 1.001 92 I CA -0.373 60.555 61.300 -0.621 0.000 1.193 92 I CB 0.743 38.236 38.000 -0.846 0.000 1.345 92 I HN 0.756 nan 8.210 nan 0.000 0.461 93 H N 6.259 124.779 119.070 -0.917 0.000 2.463 93 H HA 0.410 4.103 4.556 -1.437 0.000 0.332 93 H C -1.447 173.155 175.328 -1.210 0.000 1.127 93 H CA -0.520 55.005 56.048 -0.872 0.000 1.238 93 H CB 0.877 30.396 29.762 -0.404 0.000 1.478 93 H HN 0.407 nan 8.280 nan 0.000 0.499 94 W N 4.905 125.537 121.300 -1.114 0.000 2.175 94 W HA 0.195 4.025 4.660 -1.384 0.000 0.350 94 W C -0.181 175.606 176.519 -1.219 0.000 0.877 94 W CA -0.920 55.822 57.345 -1.005 0.000 1.544 94 W CB -0.442 28.427 29.460 -0.985 0.000 1.585 94 W HN 0.704 nan 8.180 nan 0.000 0.347 95 H N 1.973 120.272 119.070 -1.285 0.000 3.226 95 H HA 0.285 5.436 4.556 0.992 0.000 0.260 95 H C 1.388 176.471 175.328 -0.408 0.000 0.967 95 H CA 2.017 57.559 56.048 -0.845 0.000 1.435 95 H CB 0.106 29.196 29.762 -1.119 0.000 1.533 95 H HN 0.778 nan 8.280 nan 0.000 0.525 96 G N 4.535 113.177 108.800 -0.263 0.000 2.316 96 G HA2 -0.213 2.912 3.960 -1.391 0.000 0.203 96 G HA3 -0.213 2.912 3.960 -1.391 0.000 0.203 96 G C -0.189 174.468 174.900 -0.404 0.000 0.999 96 G CA -0.025 44.966 45.100 -0.183 0.000 0.649 96 G HN 0.519 nan 8.290 nan 0.000 0.489 97 I N 3.557 123.854 120.570 -0.454 0.000 2.281 97 I HA 0.333 3.669 4.170 -1.391 0.000 0.293 97 I C 1.412 177.309 176.117 -0.367 0.000 1.085 97 I CA -0.758 60.207 61.300 -0.557 0.000 1.257 97 I CB 0.269 37.738 38.000 -0.885 0.000 1.430 97 I HN 0.086 nan 8.210 nan 0.000 0.489 98 H N 5.235 124.145 119.070 -0.266 0.000 2.489 98 H HA -0.087 3.631 4.556 -1.397 0.000 0.295 98 H C 0.359 175.536 175.328 -0.253 0.000 1.082 98 H CA 0.458 56.303 56.048 -0.339 0.000 1.295 98 H CB 0.098 29.647 29.762 -0.355 0.000 1.380 98 H HN 0.464 nan 8.280 nan 0.000 0.548 99 Q N 0.100 119.906 119.800 0.011 0.000 2.453 99 Q HA -0.211 3.294 4.340 -1.391 0.000 0.330 99 Q C 0.132 176.263 176.000 0.219 0.000 1.417 99 Q CA 0.508 56.413 55.803 0.169 0.000 0.902 99 Q CB -1.703 27.250 28.738 0.358 0.000 1.154 99 Q HN 0.585 nan 8.270 nan 0.000 0.395 100 K N 1.827 122.302 120.400 0.125 0.000 2.361 100 K HA 0.014 3.499 4.320 -1.391 0.000 0.283 100 K C 0.102 176.794 176.600 0.153 0.000 1.078 100 K CA 0.476 56.830 56.287 0.111 0.000 1.041 100 K CB 0.362 32.906 32.500 0.073 0.000 0.932 100 K HN 0.223 nan 8.250 nan 0.000 0.462 101 D N 2.136 122.656 120.400 0.200 0.000 3.077 101 D HA -0.138 3.667 4.640 -1.391 0.000 0.212 101 D C -0.299 176.107 176.300 0.177 0.000 1.125 101 D CA 1.756 55.858 54.000 0.170 0.000 0.970 101 D CB -1.253 39.616 40.800 0.115 0.000 1.110 101 D HN 0.757 nan 8.370 nan 0.000 0.419 102 T N -2.804 111.893 114.554 0.239 0.000 3.448 102 T HA 0.188 3.703 4.350 -1.391 0.000 0.271 102 T C 0.961 175.849 174.700 0.313 0.000 1.002 102 T CA -0.173 62.091 62.100 0.273 0.000 0.995 102 T CB 0.295 69.314 68.868 0.253 0.000 1.153 102 T HN 0.144 nan 8.240 nan 0.000 0.510 103 N N 1.353 120.172 118.700 0.199 0.000 2.091 103 N HA -0.114 3.791 4.740 -1.391 0.000 0.193 103 N C 1.444 176.969 175.510 0.025 0.000 1.021 103 N CA 1.276 54.312 53.050 -0.023 0.000 0.862 103 N CB -0.168 38.103 38.487 -0.359 0.000 1.018 103 N HN 0.520 nan 8.380 nan 0.000 0.429 104 L N -0.265 120.981 121.223 0.039 0.000 2.633 104 L HA -0.080 3.425 4.340 -1.391 0.000 0.235 104 L C 0.878 177.741 176.870 -0.012 0.000 1.163 104 L CA 0.701 55.539 54.840 -0.004 0.000 0.859 104 L CB -0.512 41.500 42.059 -0.078 0.000 0.973 104 L HN 0.340 nan 8.230 nan 0.000 0.451 105 H N -1.676 117.553 119.070 0.265 0.000 2.592 105 H HA 0.036 3.755 4.556 -1.395 0.000 0.279 105 H C 1.010 176.671 175.328 0.555 0.000 1.089 105 H CA 0.034 56.346 56.048 0.441 0.000 1.150 105 H CB 0.647 30.643 29.762 0.390 0.000 1.575 105 H HN 0.263 nan 8.280 nan 0.000 0.547 106 D N 0.546 121.241 120.400 0.492 0.000 2.224 106 D HA -0.049 3.756 4.640 -1.391 0.000 0.205 106 D C 1.706 178.275 176.300 0.449 0.000 0.965 106 D CA 1.241 55.535 54.000 0.491 0.000 0.852 106 D CB 0.153 41.230 40.800 0.461 0.000 0.947 106 D HN 0.521 nan 8.370 nan 0.000 0.494 107 G N -0.618 108.431 108.800 0.415 0.000 2.149 107 G HA2 -0.151 2.974 3.960 -1.391 0.000 0.235 107 G HA3 -0.151 2.974 3.960 -1.391 0.000 0.235 107 G C 0.263 175.280 174.900 0.196 0.000 1.018 107 G CA 0.276 45.557 45.100 0.301 0.000 0.728 107 G HN 0.686 nan 8.290 nan 0.000 0.508 108 A N 0.991 123.899 122.820 0.147 0.000 2.774 108 A HA 0.596 4.081 4.320 -1.391 0.000 0.326 108 A C 0.773 178.355 177.584 -0.003 0.000 1.478 108 A CA 0.063 52.084 52.037 -0.026 0.000 1.099 108 A CB -0.538 18.428 19.000 -0.057 0.000 1.148 108 A HN 0.962 nan 8.150 nan 0.000 0.519 109 N N 1.345 120.063 118.700 0.031 0.000 2.412 109 N HA 0.267 4.172 4.740 -1.391 0.000 0.254 109 N C 1.008 176.596 175.510 0.130 0.000 1.232 109 N CA 0.296 53.380 53.050 0.057 0.000 0.880 109 N CB 0.532 39.018 38.487 -0.003 0.000 1.076 109 N HN 0.941 nan 8.380 nan 0.000 0.458 110 G N 0.167 109.057 108.800 0.150 0.000 2.225 110 G HA2 -0.304 2.821 3.960 -1.391 0.000 0.254 110 G HA3 -0.304 2.821 3.960 -1.391 0.000 0.254 110 G C 0.466 175.415 174.900 0.081 0.000 0.988 110 G CA 0.466 45.654 45.100 0.147 0.000 0.625 110 G HN 0.522 nan 8.290 nan 0.000 0.527 111 V N 0.175 120.118 119.914 0.049 0.000 3.001 111 V HA 0.214 3.499 4.120 -1.391 0.000 0.228 111 V C 2.401 178.518 176.094 0.038 0.000 1.204 111 V CA 2.463 64.763 62.300 -0.000 0.000 1.247 111 V CB 0.185 31.954 31.823 -0.090 0.000 1.093 111 V HN 0.780 nan 8.190 nan 0.000 0.504 112 T N -0.886 113.703 114.554 0.059 0.000 3.054 112 T HA 0.363 3.878 4.350 -1.391 0.000 0.255 112 T C 0.177 175.055 174.700 0.297 0.000 1.035 112 T CA 0.254 62.405 62.100 0.086 0.000 0.941 112 T CB -0.154 68.730 68.868 0.027 0.000 1.026 112 T HN 0.766 nan 8.240 nan 0.000 0.533 113 E N -1.041 119.342 120.200 0.306 0.000 2.398 113 E HA 0.414 3.929 4.350 -1.391 0.000 0.280 113 E C -1.611 174.968 176.600 -0.035 0.000 1.122 113 E CA -1.194 55.330 56.400 0.206 0.000 0.873 113 E CB 0.190 29.954 29.700 0.107 0.000 1.294 113 E HN 0.076 nan 8.360 nan 0.000 0.435 114 c N 1.533 119.977 118.600 -0.259 0.000 2.443 114 c HA 0.547 4.283 4.570 -1.391 0.000 0.369 114 c C -2.096 171.746 174.090 -0.413 0.000 1.241 114 c CA -0.968 55.176 56.329 -0.308 0.000 2.413 114 c CB 0.011 42.376 42.510 -0.242 0.000 2.451 114 c HN 0.596 nan 8.230 nan 0.000 0.595 115 P HA 0.245 nan 4.420 nan 0.000 0.274 115 P C -0.727 176.259 177.300 -0.523 0.000 1.231 115 P CA -0.024 62.590 63.100 -0.810 0.000 0.790 115 P CB 0.236 31.038 31.700 -1.496 0.000 0.951 116 I N 4.436 124.825 120.570 -0.303 0.000 2.505 116 I HA 0.110 3.445 4.170 -1.391 0.000 0.287 116 I C -1.590 174.488 176.117 -0.066 0.000 1.104 116 I CA -1.908 59.318 61.300 -0.123 0.000 1.387 116 I CB 0.167 38.121 38.000 -0.076 0.000 1.404 116 I HN 0.208 nan 8.210 nan 0.000 0.528 117 P HA 0.083 nan 4.420 nan 0.000 0.269 117 P C -2.533 174.696 177.300 -0.118 0.000 1.217 117 P CA -0.938 62.252 63.100 0.150 0.000 0.783 117 P CB -0.133 31.639 31.700 0.120 0.000 0.898 118 P HA 0.027 nan 4.420 nan 0.000 0.289 118 P C -0.166 177.005 177.300 -0.215 0.000 1.299 118 P CA -0.098 62.844 63.100 -0.263 0.000 0.766 118 P CB 0.180 31.695 31.700 -0.307 0.000 1.226 119 K N -1.030 119.292 120.400 -0.130 0.000 3.077 119 K HA -0.214 3.272 4.320 -1.391 0.000 0.264 119 K C 0.956 177.525 176.600 -0.052 0.000 1.008 119 K CA 1.183 57.425 56.287 -0.076 0.000 0.740 119 K CB -2.529 29.927 32.500 -0.073 0.000 1.273 119 K HN 1.026 nan 8.250 nan 0.000 0.477 120 G N -1.723 107.051 108.800 -0.043 0.000 2.296 120 G HA2 -0.163 2.962 3.960 -1.391 0.000 0.188 120 G HA3 -0.163 2.962 3.960 -1.391 0.000 0.188 120 G C 0.465 175.355 174.900 -0.018 0.000 1.000 120 G CA 0.106 45.194 45.100 -0.021 0.000 0.672 120 G HN 0.741 nan 8.290 nan 0.000 0.483 121 G N 0.312 109.092 108.800 -0.033 0.000 2.484 121 G HA2 0.543 3.668 3.960 -1.391 0.000 0.235 121 G HA3 0.543 3.668 3.960 -1.391 0.000 0.235 121 G C 0.056 174.952 174.900 -0.007 0.000 1.282 121 G CA 1.157 46.245 45.100 -0.019 0.000 0.857 121 G HN 1.292 nan 8.290 nan 0.000 0.571 122 Q N -0.058 119.739 119.800 -0.005 0.000 2.534 122 Q HA 0.744 4.249 4.340 -1.391 0.000 0.290 122 Q C -1.144 174.842 176.000 -0.023 0.000 0.991 122 Q CA -1.284 54.520 55.803 0.002 0.000 0.783 122 Q CB 2.356 31.101 28.738 0.013 0.000 1.470 122 Q HN 0.604 nan 8.270 nan 0.000 0.406 123 R N 0.958 121.440 120.500 -0.031 0.000 2.644 123 R HA 0.352 3.857 4.340 -1.391 0.000 0.257 123 R C -1.846 174.394 176.300 -0.101 0.000 1.082 123 R CA -0.190 55.848 56.100 -0.103 0.000 0.927 123 R CB 2.424 32.604 30.300 -0.199 0.000 1.258 123 R HN 0.870 nan 8.270 nan 0.000 0.459 124 T N 4.191 118.687 114.554 -0.098 0.000 2.758 124 T HA 0.427 3.942 4.350 -1.391 0.000 0.285 124 T C -0.804 173.902 174.700 0.009 0.000 0.981 124 T CA -0.175 61.913 62.100 -0.020 0.000 0.965 124 T CB 0.205 69.070 68.868 -0.005 0.000 0.927 124 T HN 0.272 nan 8.240 nan 0.000 0.448 125 Y N 2.198 122.592 120.300 0.157 0.000 2.301 125 Y HA 0.574 4.298 4.550 -1.376 0.000 0.325 125 Y C 0.927 176.826 175.900 -0.002 0.000 1.203 125 Y CA -0.681 57.604 58.100 0.309 0.000 1.255 125 Y CB 0.959 39.697 38.460 0.463 0.000 1.232 125 Y HN 0.403 nan 8.280 nan 0.000 0.501 126 R N 4.432 124.947 120.500 0.024 0.000 2.515 126 R HA 0.328 3.833 4.340 -1.391 0.000 0.278 126 R C -2.149 173.905 176.300 -0.410 0.000 1.107 126 R CA -0.578 55.290 56.100 -0.387 0.000 0.945 126 R CB 1.227 31.320 30.300 -0.346 0.000 1.219 126 R HN 0.886 nan 8.270 nan 0.000 0.434 127 W N 2.680 123.749 121.300 -0.384 0.000 3.118 127 W HA 0.497 4.339 4.660 -1.364 0.000 0.328 127 W C -1.437 174.954 176.519 -0.212 0.000 1.239 127 W CA -1.190 55.980 57.345 -0.292 0.000 1.176 127 W CB 0.569 29.856 29.460 -0.289 0.000 1.433 127 W HN 0.436 nan 8.180 nan 0.000 0.562 128 R N 1.687 122.273 120.500 0.144 0.000 2.410 128 R HA 0.562 4.067 4.340 -1.391 0.000 0.288 128 R C -0.111 176.332 176.300 0.239 0.000 1.051 128 R CA -0.086 56.060 56.100 0.077 0.000 1.021 128 R CB 1.269 31.606 30.300 0.062 0.000 1.032 128 R HN 0.555 nan 8.270 nan 0.000 0.481 129 A N 5.225 128.138 122.820 0.155 0.000 2.922 129 A HA 0.209 3.694 4.320 -1.391 0.000 0.298 129 A C 0.238 177.979 177.584 0.261 0.000 1.588 129 A CA -0.327 51.861 52.037 0.252 0.000 1.288 129 A CB -0.284 18.825 19.000 0.183 0.000 1.130 129 A HN 0.888 nan 8.150 nan 0.000 0.557 130 R N 0.251 120.886 120.500 0.225 0.000 2.310 130 R HA 0.093 3.598 4.340 -1.391 0.000 0.202 130 R C 0.309 176.765 176.300 0.259 0.000 0.933 130 R CA 0.414 56.682 56.100 0.280 0.000 1.054 130 R CB 0.273 30.698 30.300 0.209 0.000 0.985 130 R HN 0.785 nan 8.270 nan 0.000 0.489 131 Q N 0.235 120.047 119.800 0.021 0.000 2.315 131 Q HA 0.234 3.740 4.340 -1.391 0.000 0.273 131 Q C -1.758 173.971 176.000 -0.452 0.000 1.053 131 Q CA -1.034 54.538 55.803 -0.384 0.000 0.817 131 Q CB 1.857 30.319 28.738 -0.460 0.000 1.326 131 Q HN 0.116 nan 8.270 nan 0.000 0.423 132 Y N 0.742 120.597 120.300 -0.741 0.000 2.360 132 Y HA 0.952 4.670 4.550 -1.387 0.000 0.337 132 Y C 0.301 175.918 175.900 -0.473 0.000 1.039 132 Y CA -0.041 57.701 58.100 -0.596 0.000 1.109 132 Y CB 1.606 39.561 38.460 -0.841 0.000 1.201 132 Y HN 0.723 nan 8.280 nan 0.000 0.458 133 G N 1.090 109.793 108.800 -0.162 0.000 2.373 133 G HA2 0.331 3.456 3.960 -1.391 0.000 0.250 133 G HA3 0.331 3.456 3.960 -1.391 0.000 0.250 133 G C -1.518 173.332 174.900 -0.082 0.000 1.304 133 G CA -0.666 44.348 45.100 -0.144 0.000 0.948 133 G HN 0.678 nan 8.290 nan 0.000 0.474 134 T N 0.969 115.473 114.554 -0.082 0.000 2.792 134 T HA 0.809 4.324 4.350 -1.391 0.000 0.280 134 T C -0.206 174.480 174.700 -0.022 0.000 0.990 134 T CA 0.019 62.097 62.100 -0.037 0.000 0.960 134 T CB 1.490 70.333 68.868 -0.041 0.000 0.939 134 T HN 0.757 nan 8.240 nan 0.000 0.439 135 S N 1.675 117.402 115.700 0.044 0.000 2.903 135 S HA 0.852 4.487 4.470 -1.391 0.000 0.314 135 S C -1.622 173.141 174.600 0.270 0.000 1.177 135 S CA -1.009 57.275 58.200 0.141 0.000 0.859 135 S CB 1.564 64.794 63.200 0.050 0.000 1.265 135 S HN 0.846 nan 8.310 nan 0.000 0.584 136 W N 0.298 121.533 121.300 -0.108 0.000 2.937 136 W HA 0.670 3.555 4.660 -2.958 0.000 0.360 136 W C -2.545 173.886 176.519 -0.146 0.000 1.215 136 W CA -1.306 55.939 57.345 -0.166 0.000 1.183 136 W CB -0.194 29.084 29.460 -0.304 0.000 1.458 136 W HN 0.779 nan 8.180 nan 0.000 0.574 137 Y N 0.007 120.156 120.300 -0.251 0.000 2.576 137 Y HA 0.823 4.545 4.550 -1.380 0.000 0.346 137 Y C -0.749 174.779 175.900 -0.620 0.000 1.018 137 Y CA -1.311 56.388 58.100 -0.670 0.000 1.050 137 Y CB 1.752 39.904 38.460 -0.514 0.000 1.280 137 Y HN 0.755 nan 8.280 nan 0.000 0.474 138 H N -1.765 116.957 119.070 -0.580 0.000 2.987 138 H HA 0.530 4.151 4.556 -1.560 0.000 0.316 138 H C -1.241 173.899 175.328 -0.313 0.000 1.380 138 H CA -1.007 54.745 56.048 -0.493 0.000 1.160 138 H CB 0.888 30.069 29.762 -0.969 0.000 1.865 138 H HN 0.784 nan 8.280 nan 0.000 0.521 139 S N -0.507 115.250 115.700 0.096 0.000 2.584 139 S HA 0.063 3.698 4.470 -1.391 0.000 0.270 139 S C 0.006 174.767 174.600 0.268 0.000 1.346 139 S CA -0.178 58.111 58.200 0.150 0.000 1.018 139 S CB 0.096 63.422 63.200 0.209 0.000 0.899 139 S HN 0.817 nan 8.310 nan 0.000 0.542 140 H N 2.425 121.613 119.070 0.196 0.000 2.916 140 H HA 0.238 3.976 4.556 -1.364 0.000 0.262 140 H C -0.848 174.596 175.328 0.194 0.000 1.178 140 H CA -0.383 55.778 56.048 0.189 0.000 1.090 140 H CB -0.068 29.762 29.762 0.113 0.000 1.657 140 H HN 0.585 nan 8.280 nan 0.000 0.601 141 F N 2.181 122.233 119.950 0.170 0.000 2.566 141 F HA 0.261 3.949 4.527 -1.398 0.000 0.349 141 F C 0.799 176.723 175.800 0.207 0.000 1.245 141 F CA 0.267 58.323 58.000 0.094 0.000 1.169 141 F CB -0.354 38.590 39.000 -0.095 0.000 1.470 141 F HN 0.056 nan 8.300 nan 0.000 0.634 142 S N 2.142 117.900 115.700 0.098 0.000 3.790 142 S HA -0.306 3.330 4.470 -1.391 0.000 0.628 142 S C 0.953 175.617 174.600 0.107 0.000 2.348 142 S CA 0.748 58.999 58.200 0.085 0.000 3.927 142 S CB -1.406 61.819 63.200 0.041 0.000 0.236 142 S HN 1.001 nan 8.310 nan 0.000 0.953 143 A N 0.772 123.646 122.820 0.091 0.000 2.379 143 A HA 0.286 3.771 4.320 -1.391 0.000 0.236 143 A C 1.644 179.221 177.584 -0.011 0.000 1.272 143 A CA 1.218 53.245 52.037 -0.017 0.000 0.886 143 A CB -0.448 18.576 19.000 0.040 0.000 0.962 143 A HN 0.608 nan 8.150 nan 0.000 0.504 144 Q N -0.174 119.715 119.800 0.148 0.000 2.156 144 Q HA -0.294 3.211 4.340 -1.391 0.000 0.211 144 Q C 1.612 177.694 176.000 0.136 0.000 0.995 144 Q CA 2.551 58.468 55.803 0.190 0.000 0.877 144 Q CB -0.536 28.393 28.738 0.318 0.000 0.920 144 Q HN 0.960 nan 8.270 nan 0.000 0.416 145 Y N -1.411 118.928 120.300 0.066 0.000 2.651 145 Y HA 0.129 3.902 4.550 -1.295 0.000 0.296 145 Y C 1.576 177.495 175.900 0.031 0.000 1.150 145 Y CA 0.893 59.016 58.100 0.038 0.000 1.348 145 Y CB -0.756 37.715 38.460 0.018 0.000 0.983 145 Y HN 0.072 nan 8.280 nan 0.000 0.555 146 G N 0.378 109.017 108.800 -0.268 0.000 2.813 146 G HA2 -0.153 2.972 3.960 -1.391 0.000 0.209 146 G HA3 -0.153 2.972 3.960 -1.391 0.000 0.209 146 G C 1.248 176.154 174.900 0.010 0.000 1.150 146 G CA 0.333 45.305 45.100 -0.214 0.000 0.785 146 G HN 0.402 nan 8.290 nan 0.000 0.535 147 N N 0.101 118.824 118.700 0.039 0.000 2.325 147 N HA 0.140 4.045 4.740 -1.391 0.000 0.182 147 N C 1.621 177.138 175.510 0.012 0.000 1.088 147 N CA 0.967 54.043 53.050 0.044 0.000 0.879 147 N CB 0.953 39.468 38.487 0.046 0.000 0.983 147 N HN 0.403 nan 8.380 nan 0.000 0.471 148 G N -0.649 108.178 108.800 0.045 0.000 2.672 148 G HA2 -0.192 2.933 3.960 -1.391 0.000 0.197 148 G HA3 -0.192 2.933 3.960 -1.391 0.000 0.197 148 G C -0.155 174.758 174.900 0.020 0.000 0.995 148 G CA -0.321 44.782 45.100 0.005 0.000 0.754 148 G HN 0.081 nan 8.290 nan 0.000 0.505 149 V N 1.968 121.922 119.914 0.068 0.000 2.180 149 V HA 0.520 3.805 4.120 -1.391 0.000 0.238 149 V C 0.478 176.621 176.094 0.081 0.000 1.337 149 V CA 0.572 62.910 62.300 0.063 0.000 1.338 149 V CB 0.179 32.055 31.823 0.089 0.000 1.431 149 V HN 0.852 nan 8.190 nan 0.000 0.498 150 V N 2.803 122.711 119.914 -0.009 0.000 3.147 150 V HA 1.037 4.322 4.120 -1.391 0.000 0.299 150 V C -0.171 175.684 176.094 -0.399 0.000 1.302 150 V CA 0.466 62.683 62.300 -0.140 0.000 1.015 150 V CB 2.408 34.272 31.823 0.068 0.000 1.086 150 V HN 0.750 nan 8.190 nan 0.000 0.437 151 G N 1.893 110.128 108.800 -0.942 0.000 2.550 151 G HA2 0.686 3.812 3.960 -1.391 0.000 0.293 151 G HA3 0.686 3.812 3.960 -1.391 0.000 0.293 151 G C -0.650 173.804 174.900 -0.744 0.000 1.402 151 G CA 0.126 44.666 45.100 -0.935 0.000 0.784 151 G HN 1.485 nan 8.290 nan 0.000 0.482 152 T N -2.059 112.376 114.554 -0.200 0.000 2.952 152 T HA 0.801 4.316 4.350 -1.391 0.000 0.286 152 T C -0.397 174.447 174.700 0.241 0.000 1.024 152 T CA -0.706 61.417 62.100 0.037 0.000 1.029 152 T CB 1.628 70.510 68.868 0.023 0.000 1.094 152 T HN 0.522 nan 8.240 nan 0.000 0.515 153 I N 1.186 121.887 120.570 0.219 0.000 2.499 153 I HA 0.377 3.712 4.170 -1.391 0.000 0.288 153 I C -0.565 175.637 176.117 0.143 0.000 1.048 153 I CA -0.668 60.774 61.300 0.236 0.000 1.062 153 I CB 2.245 40.413 38.000 0.279 0.000 1.238 153 I HN 0.683 nan 8.210 nan 0.000 0.426 154 Q N 6.937 126.816 119.800 0.133 0.000 2.394 154 Q HA 0.447 3.952 4.340 -1.391 0.000 0.261 154 Q C -1.542 174.518 176.000 0.101 0.000 1.023 154 Q CA -0.653 55.206 55.803 0.093 0.000 0.720 154 Q CB 1.471 30.259 28.738 0.084 0.000 1.241 154 Q HN 0.494 nan 8.270 nan 0.000 0.483 155 I N 3.653 124.270 120.570 0.077 0.000 2.312 155 I HA 0.279 3.614 4.170 -1.391 0.000 0.290 155 I C 0.111 176.253 176.117 0.042 0.000 1.008 155 I CA -0.553 60.797 61.300 0.084 0.000 1.226 155 I CB 0.782 38.829 38.000 0.079 0.000 1.371 155 I HN 0.578 nan 8.210 nan 0.000 0.468 156 N N 4.401 123.142 118.700 0.068 0.000 2.503 156 N HA 0.613 4.518 4.740 -1.391 0.000 0.267 156 N C 0.466 175.733 175.510 -0.406 0.000 1.214 156 N CA 0.145 53.192 53.050 -0.005 0.000 0.959 156 N CB 2.143 40.761 38.487 0.219 0.000 1.142 156 N HN 0.894 nan 8.380 nan 0.000 0.455 157 G N 0.403 108.664 108.800 -0.898 0.000 2.435 157 G HA2 0.327 3.452 3.960 -1.391 0.000 0.296 157 G HA3 0.327 3.452 3.960 -1.391 0.000 0.296 157 G C -3.156 170.965 174.900 -1.298 0.000 1.240 157 G CA -0.498 43.409 45.100 -1.989 0.000 0.872 157 G HN 0.288 nan 8.290 nan 0.000 0.480 158 P HA 0.573 nan 4.420 nan 0.000 0.286 158 P C -0.478 176.705 177.300 -0.195 0.000 1.293 158 P CA 0.203 63.072 63.100 -0.385 0.000 0.770 158 P CB 1.099 32.635 31.700 -0.274 0.000 1.206 159 A N -0.588 122.246 122.820 0.024 0.000 2.594 159 A HA 0.478 3.963 4.320 -1.391 0.000 0.295 159 A C 0.579 178.240 177.584 0.128 0.000 1.071 159 A CA -0.088 52.033 52.037 0.140 0.000 0.685 159 A CB 0.580 19.778 19.000 0.330 0.000 1.285 159 A HN 0.434 nan 8.150 nan 0.000 0.405 160 S N 0.041 115.822 115.700 0.135 0.000 2.603 160 S HA 0.372 4.007 4.470 -1.391 0.000 0.220 160 S C 0.109 174.773 174.600 0.106 0.000 0.967 160 S CA 0.622 58.890 58.200 0.113 0.000 0.920 160 S CB -0.496 62.767 63.200 0.105 0.000 0.773 160 S HN 1.119 nan 8.310 nan 0.000 0.529 161 L N 1.649 122.952 121.223 0.134 0.000 2.505 161 L HA 0.581 4.086 4.340 -1.391 0.000 0.259 161 L C -2.797 174.152 176.870 0.131 0.000 0.952 161 L CA -1.788 53.127 54.840 0.125 0.000 0.840 161 L CB 2.232 44.373 42.059 0.137 0.000 1.358 161 L HN -0.160 nan 8.230 nan 0.000 0.409 162 P HA 0.361 nan 4.420 nan 0.000 0.278 162 P C -1.927 175.378 177.300 0.007 0.000 1.238 162 P CA 0.027 63.079 63.100 -0.081 0.000 0.794 162 P CB 0.877 32.540 31.700 -0.063 0.000 0.955 163 Y N -1.236 119.066 120.300 0.003 0.000 2.625 163 Y HA 0.459 4.176 4.550 -1.388 0.000 0.338 163 Y C 0.369 176.243 175.900 -0.044 0.000 1.123 163 Y CA -0.977 57.111 58.100 -0.021 0.000 1.046 163 Y CB 0.203 38.658 38.460 -0.010 0.000 1.299 163 Y HN 0.134 nan 8.280 nan 0.000 0.464 164 D N 0.979 121.438 120.400 0.098 0.000 2.269 164 D HA 0.197 4.003 4.640 -1.391 0.000 0.220 164 D C 0.140 176.471 176.300 0.052 0.000 0.962 164 D CA 1.300 55.298 54.000 -0.003 0.000 0.884 164 D CB 0.931 41.672 40.800 -0.099 0.000 1.023 164 D HN 0.460 nan 8.370 nan 0.000 0.484 165 I N 0.975 121.559 120.570 0.023 0.000 2.569 165 I HA 0.161 3.496 4.170 -1.391 0.000 0.296 165 I C -0.515 175.642 176.117 0.066 0.000 1.028 165 I CA -0.806 60.509 61.300 0.026 0.000 1.082 165 I CB 2.603 40.552 38.000 -0.085 0.000 1.264 165 I HN -0.267 nan 8.210 nan 0.000 0.429 166 D N 6.293 126.731 120.400 0.065 0.000 2.473 166 D HA 0.264 4.069 4.640 -1.391 0.000 0.226 166 D C 0.790 177.075 176.300 -0.025 0.000 1.089 166 D CA -0.270 53.718 54.000 -0.020 0.000 0.883 166 D CB 1.216 42.045 40.800 0.048 0.000 1.029 166 D HN 0.479 nan 8.370 nan 0.000 0.517 167 L N 2.883 124.070 121.223 -0.060 0.000 2.353 167 L HA 0.060 3.565 4.340 -1.391 0.000 0.220 167 L C 1.592 178.418 176.870 -0.072 0.000 1.133 167 L CA 0.819 55.608 54.840 -0.084 0.000 0.798 167 L CB -0.674 41.281 42.059 -0.173 0.000 0.922 167 L HN 0.664 nan 8.230 nan 0.000 0.445 168 G N -0.475 108.293 108.800 -0.054 0.000 2.587 168 G HA2 -0.211 2.914 3.960 -1.391 0.000 0.212 168 G HA3 -0.211 2.914 3.960 -1.391 0.000 0.212 168 G C -0.280 174.619 174.900 -0.001 0.000 1.327 168 G CA -0.440 44.652 45.100 -0.014 0.000 0.898 168 G HN 0.227 nan 8.290 nan 0.000 0.551 169 V N -2.472 117.463 119.914 0.035 0.000 2.963 169 V HA 0.684 3.970 4.120 -1.391 0.000 0.306 169 V C 0.483 176.670 176.094 0.155 0.000 1.077 169 V CA 0.450 62.785 62.300 0.058 0.000 1.124 169 V CB 1.376 33.220 31.823 0.035 0.000 0.987 169 V HN 1.478 nan 8.190 nan 0.000 0.487 170 F N 4.826 124.712 119.950 -0.107 0.000 2.872 170 F HA 0.459 4.150 4.527 -1.393 0.000 0.363 170 F C -2.467 173.253 175.800 -0.133 0.000 1.357 170 F CA -2.091 55.830 58.000 -0.131 0.000 1.174 170 F CB 1.850 40.755 39.000 -0.158 0.000 1.860 170 F HN 0.495 nan 8.300 nan 0.000 0.615 171 P HA 0.195 nan 4.420 nan 0.000 0.276 171 P C -0.562 176.550 177.300 -0.313 0.000 1.243 171 P CA 0.296 63.247 63.100 -0.250 0.000 0.768 171 P CB 1.555 33.126 31.700 -0.215 0.000 0.856 172 I N 2.755 123.179 120.570 -0.244 0.000 2.389 172 I HA 0.372 3.708 4.170 -1.391 0.000 0.288 172 I C 0.617 176.731 176.117 -0.004 0.000 0.999 172 I CA -0.316 60.860 61.300 -0.207 0.000 1.129 172 I CB 2.078 39.950 38.000 -0.214 0.000 1.288 172 I HN 0.279 nan 8.210 nan 0.000 0.444 173 T N 3.675 118.237 114.554 0.014 0.000 2.903 173 T HA 0.350 3.865 4.350 -1.391 0.000 0.299 173 T C -1.178 173.666 174.700 0.240 0.000 1.093 173 T CA -0.728 61.462 62.100 0.150 0.000 1.002 173 T CB 1.439 70.336 68.868 0.048 0.000 1.127 173 T HN 0.668 nan 8.240 nan 0.000 0.488 174 D N 1.478 122.063 120.400 0.308 0.000 2.344 174 D HA 0.292 4.097 4.640 -1.391 0.000 0.244 174 D C -0.977 175.421 176.300 0.163 0.000 1.134 174 D CA -0.146 53.988 54.000 0.223 0.000 0.930 174 D CB 0.403 41.311 40.800 0.180 0.000 1.175 174 D HN 0.470 nan 8.370 nan 0.000 0.437 175 Y N 0.406 120.575 120.300 -0.219 0.000 2.354 175 Y HA 0.396 4.107 4.550 -1.397 0.000 0.330 175 Y C -1.939 173.741 175.900 -0.367 0.000 1.011 175 Y CA -1.107 56.922 58.100 -0.119 0.000 1.099 175 Y CB 1.049 39.500 38.460 -0.015 0.000 1.179 175 Y HN 0.309 nan 8.280 nan 0.000 0.442 176 Y N 5.100 125.206 120.300 -0.324 0.000 2.429 176 Y HA 0.312 4.022 4.550 -1.399 0.000 0.342 176 Y C 0.317 175.972 175.900 -0.408 0.000 1.004 176 Y CA -0.771 57.114 58.100 -0.358 0.000 1.075 176 Y CB 1.128 39.532 38.460 -0.094 0.000 1.214 176 Y HN 0.700 nan 8.280 nan 0.000 0.455 177 Y N 0.073 120.288 120.300 -0.141 0.000 2.337 177 Y HA 0.061 3.777 4.550 -1.390 0.000 0.293 177 Y C 1.113 176.988 175.900 -0.043 0.000 1.123 177 Y CA -0.002 58.016 58.100 -0.137 0.000 1.201 177 Y CB 0.237 38.655 38.460 -0.069 0.000 1.011 177 Y HN 0.346 nan 8.280 nan 0.000 0.545 178 R N 0.988 121.563 120.500 0.126 0.000 2.679 178 R HA 0.375 3.880 4.340 -1.391 0.000 0.269 178 R C -0.034 176.300 176.300 0.055 0.000 1.076 178 R CA -0.242 55.890 56.100 0.055 0.000 1.160 178 R CB 0.470 30.752 30.300 -0.031 0.000 1.054 178 R HN 0.044 nan 8.270 nan 0.000 0.507 179 A N 1.215 124.059 122.820 0.041 0.000 2.340 179 A HA 0.409 3.894 4.320 -1.391 0.000 0.268 179 A C 1.162 178.778 177.584 0.053 0.000 1.100 179 A CA 0.203 52.273 52.037 0.055 0.000 0.803 179 A CB 0.765 19.797 19.000 0.052 0.000 1.043 179 A HN 0.901 nan 8.150 nan 0.000 0.488 180 A N 1.025 123.898 122.820 0.087 0.000 1.884 180 A HA -0.219 3.266 4.320 -1.391 0.000 0.219 180 A C 1.589 179.252 177.584 0.132 0.000 1.197 180 A CA 2.205 54.325 52.037 0.137 0.000 0.637 180 A CB -0.713 18.358 19.000 0.119 0.000 0.827 180 A HN 0.848 nan 8.150 nan 0.000 0.450 181 D N -0.808 119.658 120.400 0.109 0.000 2.178 181 D HA -0.144 3.661 4.640 -1.391 0.000 0.201 181 D C 1.505 177.851 176.300 0.077 0.000 0.980 181 D CA 1.615 55.677 54.000 0.103 0.000 0.842 181 D CB -0.231 40.616 40.800 0.078 0.000 0.948 181 D HN 0.544 nan 8.370 nan 0.000 0.472 182 D N 0.589 121.013 120.400 0.040 0.000 2.123 182 D HA -0.057 3.748 4.640 -1.391 0.000 0.200 182 D C 2.346 178.665 176.300 0.031 0.000 0.976 182 D CA 0.461 54.480 54.000 0.032 0.000 0.831 182 D CB -0.132 40.661 40.800 -0.011 0.000 0.974 182 D HN 0.125 nan 8.370 nan 0.000 0.469 183 L N -0.247 120.926 121.223 -0.083 0.000 2.131 183 L HA -0.116 3.389 4.340 -1.391 0.000 0.210 183 L C 2.558 179.234 176.870 -0.323 0.000 1.092 183 L CA 0.432 55.086 54.840 -0.310 0.000 0.759 183 L CB -0.254 41.422 42.059 -0.639 0.000 0.903 183 L HN 0.015 nan 8.230 nan 0.000 0.435 184 V N -0.541 119.325 119.914 -0.080 0.000 2.295 184 V HA -0.341 2.945 4.120 -1.391 0.000 0.246 184 V C 2.461 178.599 176.094 0.075 0.000 1.049 184 V CA 2.209 64.547 62.300 0.063 0.000 1.024 184 V CB -0.692 31.241 31.823 0.185 0.000 0.648 184 V HN 0.519 nan 8.190 nan 0.000 0.447 185 H N -0.624 118.467 119.070 0.035 0.000 2.353 185 H HA -0.229 3.492 4.556 -1.392 0.000 0.300 185 H C 1.940 177.310 175.328 0.070 0.000 1.090 185 H CA 2.243 58.323 56.048 0.053 0.000 1.327 185 H CB -0.296 29.497 29.762 0.052 0.000 1.383 185 H HN 0.365 nan 8.280 nan 0.000 0.508 186 F N 1.254 121.149 119.950 -0.090 0.000 2.102 186 F HA -0.158 3.532 4.527 -1.394 0.000 0.298 186 F C 2.415 178.121 175.800 -0.158 0.000 1.105 186 F CA 1.985 59.899 58.000 -0.143 0.000 1.239 186 F CB -0.870 38.039 39.000 -0.151 0.000 0.991 186 F HN 0.314 nan 8.300 nan 0.000 0.474 187 T N -1.970 112.445 114.554 -0.232 0.000 3.163 187 T HA -0.075 3.440 4.350 -1.391 0.000 0.260 187 T C 1.479 176.178 174.700 -0.002 0.000 1.156 187 T CA 0.730 62.681 62.100 -0.248 0.000 1.072 187 T CB -0.377 68.310 68.868 -0.301 0.000 0.937 187 T HN 0.476 nan 8.240 nan 0.000 0.528 188 Q N 0.896 120.678 119.800 -0.029 0.000 2.389 188 Q HA 0.138 3.643 4.340 -1.391 0.000 0.204 188 Q C 0.756 176.779 176.000 0.038 0.000 0.944 188 Q CA 0.803 56.637 55.803 0.052 0.000 0.908 188 Q CB 0.069 28.778 28.738 -0.048 0.000 1.002 188 Q HN 0.666 nan 8.270 nan 0.000 0.493 189 N N -0.345 118.319 118.700 -0.059 0.000 2.116 189 N HA 0.124 4.029 4.740 -1.391 0.000 0.230 189 N C -1.077 174.391 175.510 -0.071 0.000 1.326 189 N CA -0.102 52.860 53.050 -0.146 0.000 0.867 189 N CB 0.842 39.201 38.487 -0.213 0.000 1.174 189 N HN -0.034 nan 8.380 nan 0.000 0.506 190 N N 0.414 119.078 118.700 -0.061 0.000 2.329 190 N HA 0.419 4.325 4.740 -1.391 0.000 0.282 190 N C -1.026 174.323 175.510 -0.268 0.000 1.198 190 N CA -0.538 52.347 53.050 -0.274 0.000 0.790 190 N CB 1.856 39.669 38.487 -1.124 0.000 1.579 190 N HN 0.012 nan 8.380 nan 0.000 0.475 191 A N 1.803 124.518 122.820 -0.174 0.000 2.483 191 A HA 0.318 3.803 4.320 -1.391 0.000 0.238 191 A C -1.913 175.587 177.584 -0.139 0.000 1.070 191 A CA -0.551 51.366 52.037 -0.199 0.000 0.770 191 A CB -0.557 18.391 19.000 -0.088 0.000 1.008 191 A HN 0.421 nan 8.150 nan 0.000 0.497 192 P HA 0.240 nan 4.420 nan 0.000 0.269 192 P C -2.504 174.901 177.300 0.175 0.000 1.209 192 P CA -0.649 62.463 63.100 0.021 0.000 0.776 192 P CB 0.152 31.935 31.700 0.138 0.000 0.876 193 P HA 0.354 nan 4.420 nan 0.000 0.287 193 P C -0.578 177.004 177.300 0.469 0.000 1.296 193 P CA -0.501 62.771 63.100 0.288 0.000 0.811 193 P CB 0.689 32.512 31.700 0.205 0.000 1.211 194 F N 0.131 120.138 119.950 0.096 0.000 2.382 194 F HA 0.179 3.873 4.527 -1.387 0.000 0.331 194 F C 1.464 177.275 175.800 0.019 0.000 1.121 194 F CA -0.780 57.234 58.000 0.025 0.000 1.183 194 F CB 0.362 39.311 39.000 -0.086 0.000 1.207 194 F HN 0.235 nan 8.300 nan 0.000 0.555 195 S N 1.152 116.836 115.700 -0.027 0.000 2.564 195 S HA 0.102 3.737 4.470 -1.391 0.000 0.278 195 S C 0.631 175.021 174.600 -0.350 0.000 1.333 195 S CA -0.755 57.094 58.200 -0.584 0.000 1.048 195 S CB 0.784 63.637 63.200 -0.578 0.000 0.900 195 S HN 0.550 nan 8.310 nan 0.000 0.505 196 D N 1.242 121.334 120.400 -0.512 0.000 2.264 196 D HA 0.018 3.823 4.640 -1.391 0.000 0.208 196 D C 0.468 176.628 176.300 -0.234 0.000 0.966 196 D CA 1.133 54.853 54.000 -0.465 0.000 0.864 196 D CB -0.126 39.970 40.800 -1.174 0.000 0.933 196 D HN 0.563 nan 8.370 nan 0.000 0.499 197 N N -1.200 117.411 118.700 -0.148 0.000 3.185 197 N HA 0.138 4.044 4.740 -1.391 0.000 0.238 197 N C -1.963 173.562 175.510 0.026 0.000 1.451 197 N CA -0.446 52.612 53.050 0.013 0.000 0.888 197 N CB 1.873 40.443 38.487 0.138 0.000 1.413 197 N HN -0.344 nan 8.380 nan 0.000 0.511 198 V N 1.976 121.896 119.914 0.010 0.000 2.487 198 V HA 0.531 3.816 4.120 -1.391 0.000 0.298 198 V C -0.195 175.841 176.094 -0.096 0.000 1.028 198 V CA -0.647 61.632 62.300 -0.036 0.000 0.860 198 V CB 1.587 33.320 31.823 -0.150 0.000 0.991 198 V HN 0.448 nan 8.190 nan 0.000 0.427 199 L N 5.839 126.998 121.223 -0.107 0.000 2.289 199 L HA 0.592 4.098 4.340 -1.391 0.000 0.285 199 L C -0.565 176.176 176.870 -0.215 0.000 1.049 199 L CA -0.362 54.381 54.840 -0.162 0.000 0.804 199 L CB 1.554 43.506 42.059 -0.180 0.000 1.195 199 L HN 0.488 nan 8.230 nan 0.000 0.428 200 I N 4.002 124.432 120.570 -0.232 0.000 2.354 200 I HA 0.201 3.537 4.170 -1.391 0.000 0.286 200 I C 0.221 176.079 176.117 -0.431 0.000 1.007 200 I CA -0.420 60.648 61.300 -0.387 0.000 1.167 200 I CB 1.053 38.874 38.000 -0.299 0.000 1.320 200 I HN 0.703 nan 8.210 nan 0.000 0.458 201 N N 5.322 123.714 118.700 -0.515 0.000 2.725 201 N HA -0.207 3.698 4.740 -1.391 0.000 0.251 201 N C 0.790 176.190 175.510 -0.183 0.000 1.031 201 N CA 1.300 54.138 53.050 -0.353 0.000 0.720 201 N CB -0.732 37.542 38.487 -0.356 0.000 0.930 201 N HN 1.104 nan 8.380 nan 0.000 0.543 202 G N -2.597 106.105 108.800 -0.163 0.000 2.253 202 G HA2 -0.280 2.846 3.960 -1.391 0.000 0.251 202 G HA3 -0.280 2.846 3.960 -1.391 0.000 0.251 202 G C 0.233 175.061 174.900 -0.119 0.000 0.998 202 G CA 1.221 46.258 45.100 -0.105 0.000 0.621 202 G HN 1.542 nan 8.290 nan 0.000 0.524 203 T N -2.398 112.079 114.554 -0.130 0.000 2.916 203 T HA 1.013 4.528 4.350 -1.391 0.000 0.292 203 T C -0.386 174.243 174.700 -0.118 0.000 1.064 203 T CA 0.224 62.251 62.100 -0.122 0.000 1.011 203 T CB 2.423 71.244 68.868 -0.078 0.000 1.152 203 T HN 2.120 nan 8.240 nan 0.000 0.510 204 A N 0.571 123.316 122.820 -0.125 0.000 2.590 204 A HA 0.622 4.107 4.320 -1.391 0.000 0.294 204 A C -1.249 176.241 177.584 -0.156 0.000 1.046 204 A CA -0.826 51.146 52.037 -0.109 0.000 0.684 204 A CB 1.033 19.977 19.000 -0.093 0.000 1.279 204 A HN 0.990 nan 8.150 nan 0.000 0.415 205 V N 2.608 122.392 119.914 -0.216 0.000 2.509 205 V HA 0.285 3.570 4.120 -1.391 0.000 0.284 205 V C 0.633 176.668 176.094 -0.099 0.000 1.047 205 V CA -0.820 61.331 62.300 -0.248 0.000 0.952 205 V CB 1.562 33.097 31.823 -0.479 0.000 0.988 205 V HN 0.836 nan 8.190 nan 0.000 0.469 206 N N 7.168 125.833 118.700 -0.057 0.000 2.452 206 N HA 0.118 4.023 4.740 -1.391 0.000 0.266 206 N C -1.442 174.074 175.510 0.010 0.000 1.175 206 N CA -1.317 51.740 53.050 0.012 0.000 0.945 206 N CB 1.817 40.317 38.487 0.021 0.000 1.063 206 N HN 0.384 nan 8.380 nan 0.000 0.472 207 P HA -0.035 nan 4.420 nan 0.000 0.234 207 P C -0.108 177.212 177.300 0.033 0.000 1.167 207 P CA 1.083 64.203 63.100 0.033 0.000 0.763 207 P CB 0.442 32.161 31.700 0.032 0.000 0.835 208 N N -0.691 118.030 118.700 0.035 0.000 2.545 208 N HA -0.021 3.885 4.740 -1.391 0.000 0.190 208 N C 1.673 177.194 175.510 0.018 0.000 1.043 208 N CA 0.968 54.035 53.050 0.030 0.000 0.879 208 N CB -0.123 38.387 38.487 0.039 0.000 1.210 208 N HN 0.118 nan 8.380 nan 0.000 0.437 209 T N -2.723 111.837 114.554 0.011 0.000 3.037 209 T HA 0.299 3.814 4.350 -1.391 0.000 0.251 209 T C 1.603 176.297 174.700 -0.010 0.000 1.079 209 T CA 0.729 62.827 62.100 -0.003 0.000 1.067 209 T CB 0.472 69.331 68.868 -0.015 0.000 0.948 209 T HN 0.285 nan 8.240 nan 0.000 0.496 210 G N 1.144 109.936 108.800 -0.013 0.000 2.179 210 G HA2 -0.244 2.881 3.960 -1.391 0.000 0.260 210 G HA3 -0.244 2.881 3.960 -1.391 0.000 0.260 210 G C -0.075 174.793 174.900 -0.053 0.000 0.977 210 G CA 0.270 45.355 45.100 -0.024 0.000 0.641 210 G HN 0.668 nan 8.290 nan 0.000 0.533 211 E N 0.073 120.242 120.200 -0.053 0.000 2.391 211 E HA 0.474 3.989 4.350 -1.391 0.000 0.255 211 E C 1.085 177.626 176.600 -0.098 0.000 1.187 211 E CA 0.424 56.783 56.400 -0.069 0.000 0.941 211 E CB 0.538 30.200 29.700 -0.063 0.000 1.010 211 E HN 1.526 nan 8.360 nan 0.000 0.458 212 G N 0.396 109.132 108.800 -0.106 0.000 2.725 212 G HA2 -0.232 2.893 3.960 -1.391 0.000 0.220 212 G HA3 -0.232 2.893 3.960 -1.391 0.000 0.220 212 G C -0.846 173.958 174.900 -0.160 0.000 1.357 212 G CA -0.498 44.525 45.100 -0.128 0.000 0.866 212 G HN 0.476 nan 8.290 nan 0.000 0.548 213 Q N -1.662 118.032 119.800 -0.178 0.000 2.522 213 Q HA 0.477 3.983 4.340 -1.391 0.000 0.285 213 Q C -1.290 174.614 176.000 -0.159 0.000 0.982 213 Q CA -0.887 54.800 55.803 -0.194 0.000 0.805 213 Q CB 2.077 30.768 28.738 -0.078 0.000 1.457 213 Q HN 0.597 nan 8.270 nan 0.000 0.394 214 Y N 0.414 120.752 120.300 0.064 0.000 2.346 214 Y HA 0.358 4.072 4.550 -1.393 0.000 0.330 214 Y C 0.669 176.610 175.900 0.068 0.000 1.178 214 Y CA -0.488 57.674 58.100 0.104 0.000 1.331 214 Y CB 0.785 39.363 38.460 0.197 0.000 1.253 214 Y HN 0.597 nan 8.280 nan 0.000 0.529 215 A N 3.179 126.147 122.820 0.247 0.000 2.477 215 A HA 0.091 3.576 4.320 -1.391 0.000 0.246 215 A C -0.086 177.593 177.584 0.159 0.000 1.078 215 A CA -0.351 51.770 52.037 0.140 0.000 0.770 215 A CB -0.049 19.006 19.000 0.092 0.000 1.011 215 A HN 0.737 nan 8.150 nan 0.000 0.494 216 N N 2.191 120.933 118.700 0.069 0.000 2.518 216 N HA 0.423 4.328 4.740 -1.391 0.000 0.254 216 N C -1.492 173.947 175.510 -0.118 0.000 0.979 216 N CA -0.221 52.829 53.050 0.001 0.000 0.930 216 N CB 1.374 39.857 38.487 -0.006 0.000 1.152 216 N HN 0.256 nan 8.380 nan 0.000 0.505 217 V N 2.728 122.457 119.914 -0.309 0.000 2.398 217 V HA 0.418 3.703 4.120 -1.391 0.000 0.286 217 V C 0.244 176.039 176.094 -0.498 0.000 1.026 217 V CA -0.486 61.449 62.300 -0.608 0.000 0.868 217 V CB 1.572 32.517 31.823 -1.463 0.000 0.982 217 V HN 0.542 nan 8.190 nan 0.000 0.443 218 T N 6.960 121.315 114.554 -0.332 0.000 2.743 218 T HA 0.552 4.067 4.350 -1.391 0.000 0.292 218 T C -0.203 174.312 174.700 -0.308 0.000 0.972 218 T CA -0.214 61.763 62.100 -0.206 0.000 0.967 218 T CB 0.431 69.272 68.868 -0.045 0.000 0.926 218 T HN 0.331 nan 8.240 nan 0.000 0.459 219 L N 3.103 124.068 121.223 -0.431 0.000 2.312 219 L HA 0.387 3.892 4.340 -1.391 0.000 0.281 219 L C 0.706 177.413 176.870 -0.270 0.000 1.070 219 L CA -0.744 53.729 54.840 -0.611 0.000 0.805 219 L CB 1.015 42.502 42.059 -0.954 0.000 1.174 219 L HN 0.527 nan 8.230 nan 0.000 0.434 220 T N 3.916 118.591 114.554 0.201 0.000 2.723 220 T HA 0.202 3.717 4.350 -1.391 0.000 0.297 220 T C -2.345 172.398 174.700 0.072 0.000 0.925 220 T CA -1.112 61.053 62.100 0.109 0.000 1.030 220 T CB 0.641 69.568 68.868 0.098 0.000 0.905 220 T HN 0.301 nan 8.240 nan 0.000 0.502 221 P HA 0.061 nan 4.420 nan 0.000 0.257 221 P C 1.100 178.462 177.300 0.103 0.000 1.162 221 P CA 1.219 64.393 63.100 0.122 0.000 0.762 221 P CB 0.055 31.851 31.700 0.161 0.000 0.753 222 G N 1.800 110.677 108.800 0.127 0.000 2.199 222 G HA2 -0.212 2.913 3.960 -1.391 0.000 0.254 222 G HA3 -0.212 2.913 3.960 -1.391 0.000 0.254 222 G C 0.187 175.113 174.900 0.045 0.000 0.982 222 G CA -0.110 45.040 45.100 0.083 0.000 0.632 222 G HN 0.470 nan 8.290 nan 0.000 0.529 223 K N 0.361 120.775 120.400 0.023 0.000 2.123 223 K HA 0.606 4.091 4.320 -1.391 0.000 0.248 223 K C 0.477 176.987 176.600 -0.151 0.000 0.969 223 K CA -0.748 55.466 56.287 -0.121 0.000 0.882 223 K CB 0.946 33.273 32.500 -0.289 0.000 1.080 223 K HN 0.343 nan 8.250 nan 0.000 0.441 224 R N 1.940 122.343 120.500 -0.162 0.000 2.229 224 R HA 0.270 3.775 4.340 -1.391 0.000 0.328 224 R C -0.570 175.654 176.300 -0.126 0.000 1.009 224 R CA -0.641 55.449 56.100 -0.016 0.000 0.864 224 R CB 0.479 30.818 30.300 0.064 0.000 1.085 224 R HN 0.511 nan 8.270 nan 0.000 0.453 225 H N 0.926 119.999 119.070 0.006 0.000 2.472 225 H HA 0.305 4.025 4.556 -1.392 0.000 0.338 225 H C -0.289 174.967 175.328 -0.121 0.000 1.133 225 H CA -0.922 55.097 56.048 -0.047 0.000 1.216 225 H CB 1.242 30.949 29.762 -0.092 0.000 1.497 225 H HN 0.299 nan 8.280 nan 0.000 0.500 226 R N 2.519 122.935 120.500 -0.140 0.000 2.229 226 R HA 0.419 3.924 4.340 -1.391 0.000 0.328 226 R C -1.381 174.805 176.300 -0.190 0.000 1.009 226 R CA -0.875 55.034 56.100 -0.319 0.000 0.864 226 R CB 0.347 30.183 30.300 -0.774 0.000 1.085 226 R HN 0.498 nan 8.270 nan 0.000 0.453 227 L N 4.609 125.744 121.223 -0.146 0.000 2.333 227 L HA 0.477 3.982 4.340 -1.391 0.000 0.280 227 L C -0.861 175.960 176.870 -0.082 0.000 1.004 227 L CA -0.418 54.334 54.840 -0.146 0.000 0.820 227 L CB 1.599 43.557 42.059 -0.168 0.000 1.247 227 L HN 0.636 nan 8.230 nan 0.000 0.416 228 R N 6.482 126.950 120.500 -0.055 0.000 2.278 228 R HA 0.528 4.033 4.340 -1.391 0.000 0.322 228 R C -0.942 175.392 176.300 0.056 0.000 1.058 228 R CA -0.330 55.766 56.100 -0.006 0.000 0.991 228 R CB 0.495 30.784 30.300 -0.018 0.000 1.140 228 R HN 0.575 nan 8.270 nan 0.000 0.518 229 I N 4.656 125.277 120.570 0.084 0.000 2.365 229 I HA 0.291 3.627 4.170 -1.391 0.000 0.291 229 I C -0.479 175.636 176.117 -0.004 0.000 1.004 229 I CA -0.786 60.589 61.300 0.125 0.000 1.311 229 I CB 0.808 38.933 38.000 0.209 0.000 1.401 229 I HN 0.230 nan 8.210 nan 0.000 0.491 230 L N 5.418 126.582 121.223 -0.098 0.000 2.350 230 L HA 0.526 4.031 4.340 -1.391 0.000 0.260 230 L C -0.383 176.290 176.870 -0.328 0.000 1.015 230 L CA -0.641 54.023 54.840 -0.293 0.000 0.821 230 L CB 1.287 43.086 42.059 -0.432 0.000 1.370 230 L HN 0.446 nan 8.230 nan 0.000 0.416 231 N N -0.261 118.136 118.700 -0.505 0.000 2.569 231 N HA 0.300 4.205 4.740 -1.391 0.000 0.254 231 N C -0.108 174.908 175.510 -0.824 0.000 1.004 231 N CA -0.229 52.550 53.050 -0.453 0.000 0.904 231 N CB 1.229 39.458 38.487 -0.431 0.000 1.165 231 N HN 0.735 nan 8.380 nan 0.000 0.513 232 T N -0.632 113.477 114.554 -0.741 0.000 3.223 232 T HA 0.270 3.785 4.350 -1.391 0.000 0.259 232 T C 0.310 174.826 174.700 -0.307 0.000 1.015 232 T CA -0.410 61.108 62.100 -0.970 0.000 0.908 232 T CB -0.399 68.037 68.868 -0.720 0.000 1.054 232 T HN 0.193 nan 8.240 nan 0.000 0.567 233 S N 1.934 117.473 115.700 -0.268 0.000 2.606 233 S HA 0.270 3.905 4.470 -1.391 0.000 0.257 233 S C 1.665 176.229 174.600 -0.059 0.000 1.327 233 S CA -0.065 58.072 58.200 -0.104 0.000 0.984 233 S CB 0.895 63.945 63.200 -0.251 0.000 0.941 233 S HN 0.702 nan 8.310 nan 0.000 0.576 234 T N -2.351 112.121 114.554 -0.137 0.000 3.014 234 T HA 0.244 3.759 4.350 -1.391 0.000 0.250 234 T C 0.943 175.316 174.700 -0.544 0.000 1.060 234 T CA 0.100 61.937 62.100 -0.439 0.000 1.040 234 T CB 0.148 68.530 68.868 -0.811 0.000 0.971 234 T HN 0.585 nan 8.240 nan 0.000 0.497 235 E N 0.840 120.871 120.200 -0.282 0.000 3.151 235 E HA 0.105 3.620 4.350 -1.391 0.000 0.246 235 E C -0.669 175.912 176.600 -0.032 0.000 1.150 235 E CA -0.063 56.236 56.400 -0.170 0.000 1.806 235 E CB -0.221 29.478 29.700 -0.001 0.000 2.295 235 E HN 0.200 nan 8.360 nan 0.000 1.000 236 N N 2.008 120.701 118.700 -0.011 0.000 2.294 236 N HA -0.012 3.893 4.740 -1.391 0.000 0.263 236 N C -0.856 174.287 175.510 -0.612 0.000 1.281 236 N CA 0.731 53.719 53.050 -0.102 0.000 0.846 236 N CB -0.015 38.483 38.487 0.019 0.000 1.061 236 N HN 0.192 nan 8.380 nan 0.000 0.478 237 H N 1.726 120.520 119.070 -0.459 0.000 2.459 237 H HA 0.439 4.175 4.556 -1.367 0.000 0.332 237 H C -0.310 174.663 175.328 -0.591 0.000 1.094 237 H CA -0.379 55.322 56.048 -0.579 0.000 1.224 237 H CB 0.543 30.234 29.762 -0.119 0.000 1.449 237 H HN 0.400 nan 8.280 nan 0.000 0.484 238 F N 0.761 120.447 119.950 -0.441 0.000 2.509 238 F HA 0.499 4.193 4.527 -1.387 0.000 0.334 238 F C 0.139 175.667 175.800 -0.453 0.000 1.060 238 F CA -0.975 56.726 58.000 -0.498 0.000 0.997 238 F CB 1.431 40.162 39.000 -0.449 0.000 1.271 238 F HN 0.247 nan 8.300 nan 0.000 0.488 239 Q N 1.580 121.306 119.800 -0.123 0.000 2.304 239 Q HA 0.581 4.086 4.340 -1.391 0.000 0.270 239 Q C -1.383 174.486 176.000 -0.218 0.000 1.035 239 Q CA -0.916 54.804 55.803 -0.139 0.000 0.781 239 Q CB 3.140 31.874 28.738 -0.007 0.000 1.261 239 Q HN 0.555 nan 8.270 nan 0.000 0.444 240 V N -0.942 118.828 119.914 -0.241 0.000 2.914 240 V HA 0.996 4.281 4.120 -1.391 0.000 0.314 240 V C -0.575 175.281 176.094 -0.396 0.000 1.084 240 V CA -0.623 61.439 62.300 -0.397 0.000 0.963 240 V CB 1.944 33.569 31.823 -0.330 0.000 1.025 240 V HN 0.872 nan 8.190 nan 0.000 0.432 241 S N 2.707 118.038 115.700 -0.615 0.000 2.578 241 S HA 0.726 4.361 4.470 -1.391 0.000 0.272 241 S C -1.608 172.709 174.600 -0.471 0.000 1.145 241 S CA -0.723 57.235 58.200 -0.403 0.000 0.835 241 S CB 1.596 64.670 63.200 -0.210 0.000 1.104 241 S HN 1.660 nan 8.310 nan 0.000 0.458 242 L N 2.360 123.429 121.223 -0.257 0.000 2.319 242 L HA 0.624 4.129 4.340 -1.391 0.000 0.281 242 L C -0.599 176.256 176.870 -0.025 0.000 1.005 242 L CA -0.646 54.071 54.840 -0.205 0.000 0.828 242 L CB 1.443 43.304 42.059 -0.330 0.000 1.227 242 L HN 0.752 nan 8.230 nan 0.000 0.415 243 V N 6.244 126.205 119.914 0.078 0.000 2.681 243 V HA -0.066 3.219 4.120 -1.391 0.000 0.306 243 V C 1.315 177.594 176.094 0.309 0.000 1.077 243 V CA 1.014 63.431 62.300 0.195 0.000 1.224 243 V CB -0.310 31.687 31.823 0.290 0.000 0.879 243 V HN 1.063 nan 8.190 nan 0.000 0.494 244 N N 1.907 120.721 118.700 0.190 0.000 2.713 244 N HA -0.195 3.710 4.740 -1.391 0.000 0.251 244 N C -0.430 175.030 175.510 -0.084 0.000 1.117 244 N CA 1.586 54.694 53.050 0.096 0.000 0.770 244 N CB -1.031 37.568 38.487 0.187 0.000 1.137 244 N HN 0.964 nan 8.380 nan 0.000 0.566 245 H N -2.090 116.926 119.070 -0.090 0.000 2.895 245 H HA 0.602 4.324 4.556 -1.391 0.000 0.373 245 H C 0.170 175.449 175.328 -0.081 0.000 1.174 245 H CA -0.037 55.944 56.048 -0.111 0.000 1.144 245 H CB 1.503 31.165 29.762 -0.167 0.000 1.793 245 H HN 0.145 nan 8.280 nan 0.000 0.551 246 T N -0.574 114.011 114.554 0.052 0.000 2.937 246 T HA 0.731 4.246 4.350 -1.391 0.000 0.283 246 T C -0.093 174.618 174.700 0.018 0.000 1.012 246 T CA -1.019 61.090 62.100 0.015 0.000 0.997 246 T CB 1.144 70.012 68.868 0.000 0.000 1.136 246 T HN 0.396 nan 8.240 nan 0.000 0.551 247 M N 1.011 120.608 119.600 -0.005 0.000 2.393 247 M HA 0.374 4.020 4.480 -1.391 0.000 0.299 247 M C -1.076 175.218 176.300 -0.011 0.000 1.103 247 M CA -0.649 54.645 55.300 -0.009 0.000 0.910 247 M CB 2.862 35.443 32.600 -0.031 0.000 1.659 247 M HN 0.636 nan 8.290 nan 0.000 0.445 248 T N 2.498 117.055 114.554 0.005 0.000 2.874 248 T HA 0.382 3.897 4.350 -1.391 0.000 0.321 248 T C -0.068 174.641 174.700 0.016 0.000 1.075 248 T CA -0.434 61.674 62.100 0.013 0.000 0.966 248 T CB 0.610 69.498 68.868 0.033 0.000 1.001 248 T HN 0.374 nan 8.240 nan 0.000 0.476 249 V N 5.613 125.529 119.914 0.004 0.000 2.655 249 V HA 0.166 3.452 4.120 -1.391 0.000 0.300 249 V C 1.381 177.517 176.094 0.069 0.000 1.044 249 V CA 0.378 62.698 62.300 0.034 0.000 1.095 249 V CB 0.366 32.197 31.823 0.013 0.000 0.952 249 V HN 0.900 nan 8.190 nan 0.000 0.485 250 I N 1.497 122.117 120.570 0.083 0.000 4.338 250 I HA 0.765 4.100 4.170 -1.391 0.000 0.329 250 I C 0.363 176.528 176.117 0.080 0.000 1.378 250 I CA -0.074 61.276 61.300 0.083 0.000 1.170 250 I CB 0.627 38.677 38.000 0.084 0.000 1.206 250 I HN 0.533 nan 8.210 nan 0.000 0.432 251 A N 1.532 124.410 122.820 0.096 0.000 2.555 251 A HA 0.831 4.317 4.320 -1.391 0.000 0.297 251 A C -1.169 176.459 177.584 0.072 0.000 1.060 251 A CA -0.104 51.964 52.037 0.052 0.000 0.710 251 A CB 1.202 20.197 19.000 -0.010 0.000 1.282 251 A HN 0.390 nan 8.150 nan 0.000 0.399 252 A N 2.738 125.553 122.820 -0.008 0.000 2.287 252 A HA 0.726 4.211 4.320 -1.391 0.000 0.317 252 A C 0.331 177.791 177.584 -0.208 0.000 1.220 252 A CA 0.259 52.203 52.037 -0.155 0.000 0.835 252 A CB -0.019 18.962 19.000 -0.032 0.000 1.180 252 A HN 1.184 nan 8.150 nan 0.000 0.500 253 D N 0.583 120.799 120.400 -0.306 0.000 3.608 253 D HA -0.278 3.527 4.640 -1.391 0.000 0.152 253 D C 0.677 176.878 176.300 -0.165 0.000 0.971 253 D CA 2.100 55.981 54.000 -0.198 0.000 1.072 253 D CB -0.571 40.147 40.800 -0.136 0.000 0.507 253 D HN 0.658 nan 8.370 nan 0.000 0.520 254 M N 0.657 120.156 119.600 -0.168 0.000 2.549 254 M HA 0.276 3.921 4.480 -1.391 0.000 0.273 254 M C -0.820 175.271 176.300 -0.348 0.000 1.213 254 M CA 0.082 55.231 55.300 -0.251 0.000 0.976 254 M CB 0.473 32.908 32.600 -0.276 0.000 1.457 254 M HN 0.065 nan 8.290 nan 0.000 0.485 255 V N 1.863 121.638 119.914 -0.232 0.000 2.357 255 V HA 0.417 3.702 4.120 -1.391 0.000 0.284 255 V C -2.355 173.657 176.094 -0.136 0.000 1.018 255 V CA -1.708 60.478 62.300 -0.190 0.000 0.841 255 V CB 1.116 32.919 31.823 -0.034 0.000 0.991 255 V HN 0.206 nan 8.190 nan 0.000 0.437 256 P HA 0.225 nan 4.420 nan 0.000 0.271 256 P C -0.739 176.588 177.300 0.044 0.000 1.216 256 P CA 0.251 63.330 63.100 -0.035 0.000 0.771 256 P CB 1.181 32.885 31.700 0.008 0.000 0.864 257 V N 3.766 123.719 119.914 0.064 0.000 3.001 257 V HA 0.405 3.690 4.120 -1.391 0.000 0.314 257 V C -0.499 175.646 176.094 0.084 0.000 1.099 257 V CA -1.065 61.284 62.300 0.081 0.000 0.989 257 V CB 2.067 33.946 31.823 0.093 0.000 1.040 257 V HN 0.382 nan 8.190 nan 0.000 0.434 258 N N 3.149 121.897 118.700 0.080 0.000 2.454 258 N HA 0.228 4.133 4.740 -1.391 0.000 0.254 258 N C 0.216 175.768 175.510 0.069 0.000 1.228 258 N CA 0.591 53.684 53.050 0.073 0.000 0.900 258 N CB 1.232 39.758 38.487 0.065 0.000 1.089 258 N HN 1.008 nan 8.380 nan 0.000 0.449 259 A N 2.672 125.532 122.820 0.066 0.000 2.591 259 A HA -0.017 3.468 4.320 -1.391 0.000 0.244 259 A C 0.487 178.100 177.584 0.048 0.000 1.031 259 A CA 0.643 52.715 52.037 0.059 0.000 0.767 259 A CB -0.284 18.750 19.000 0.057 0.000 0.942 259 A HN 0.737 nan 8.150 nan 0.000 0.514 260 M N 4.289 123.914 119.600 0.042 0.000 2.098 260 M HA 0.216 3.862 4.480 -1.391 0.000 0.265 260 M C -0.826 175.481 176.300 0.012 0.000 0.940 260 M CA -0.181 55.137 55.300 0.030 0.000 1.007 260 M CB 1.220 33.841 32.600 0.035 0.000 1.823 260 M HN 0.630 nan 8.290 nan 0.000 0.453 261 T N 4.513 119.074 114.554 0.011 0.000 2.814 261 T HA 0.461 3.976 4.350 -1.391 0.000 0.297 261 T C 0.085 174.780 174.700 -0.007 0.000 0.956 261 T CA -0.391 61.711 62.100 0.003 0.000 1.123 261 T CB 0.437 69.310 68.868 0.008 0.000 0.902 261 T HN 0.574 nan 8.240 nan 0.000 0.528 262 V N 0.649 120.551 119.914 -0.020 0.000 3.155 262 V HA 0.620 3.906 4.120 -1.391 0.000 0.313 262 V C 0.011 176.094 176.094 -0.019 0.000 1.162 262 V CA -0.861 61.426 62.300 -0.021 0.000 1.048 262 V CB 2.171 33.969 31.823 -0.040 0.000 1.092 262 V HN 0.527 nan 8.190 nan 0.000 0.447 263 D N 0.663 121.058 120.400 -0.008 0.000 2.262 263 D HA 0.200 4.005 4.640 -1.391 0.000 0.212 263 D C 0.933 177.223 176.300 -0.016 0.000 0.964 263 D CA 1.641 55.636 54.000 -0.010 0.000 0.875 263 D CB 0.776 41.574 40.800 -0.004 0.000 0.996 263 D HN 0.904 nan 8.370 nan 0.000 0.497 264 S N -0.959 114.750 115.700 0.015 0.000 2.625 264 S HA 0.696 4.331 4.470 -1.391 0.000 0.271 264 S C -1.252 173.334 174.600 -0.023 0.000 1.161 264 S CA -0.935 57.267 58.200 0.002 0.000 0.820 264 S CB 1.884 65.140 63.200 0.093 0.000 1.137 264 S HN -0.005 nan 8.310 nan 0.000 0.470 265 L N 1.258 122.382 121.223 -0.166 0.000 2.445 265 L HA 0.607 4.112 4.340 -1.391 0.000 0.262 265 L C -1.568 175.088 176.870 -0.356 0.000 0.974 265 L CA -0.680 53.986 54.840 -0.290 0.000 0.822 265 L CB 2.186 44.035 42.059 -0.349 0.000 1.339 265 L HN 0.831 nan 8.230 nan 0.000 0.409 266 F N 3.729 123.361 119.950 -0.530 0.000 2.410 266 F HA 0.634 4.333 4.527 -1.380 0.000 0.349 266 F C -1.124 174.672 175.800 -0.007 0.000 1.117 266 F CA -0.416 57.382 58.000 -0.337 0.000 1.104 266 F CB 0.878 39.693 39.000 -0.308 0.000 1.122 266 F HN 0.192 nan 8.300 nan 0.000 0.483 267 L N 6.679 127.489 121.223 -0.689 0.000 2.343 267 L HA 0.663 4.168 4.340 -1.391 0.000 0.278 267 L C 0.023 176.378 176.870 -0.859 0.000 0.996 267 L CA -0.430 54.129 54.840 -0.468 0.000 0.831 267 L CB 1.462 43.407 42.059 -0.190 0.000 1.232 267 L HN 0.799 nan 8.230 nan 0.000 0.413 268 A N 2.953 125.425 122.820 -0.580 0.000 2.272 268 A HA 0.621 4.106 4.320 -1.391 0.000 0.275 268 A C 0.002 177.229 177.584 -0.594 0.000 1.096 268 A CA -0.563 51.195 52.037 -0.465 0.000 0.822 268 A CB 0.543 19.585 19.000 0.071 0.000 1.088 268 A HN 0.392 nan 8.150 nan 0.000 0.495 269 V N 1.133 120.561 119.914 -0.810 0.000 2.475 269 V HA 0.352 3.637 4.120 -1.391 0.000 0.292 269 V C 1.570 177.354 176.094 -0.518 0.000 1.003 269 V CA 1.961 63.861 62.300 -0.666 0.000 1.120 269 V CB -0.431 31.067 31.823 -0.542 0.000 0.937 269 V HN 1.916 nan 8.190 nan 0.000 0.476 270 G N 3.472 111.868 108.800 -0.673 0.000 2.194 270 G HA2 -0.200 2.925 3.960 -1.391 0.000 0.236 270 G HA3 -0.200 2.925 3.960 -1.391 0.000 0.236 270 G C 0.158 174.797 174.900 -0.435 0.000 0.987 270 G CA 0.093 44.807 45.100 -0.644 0.000 0.635 270 G HN 0.626 nan 8.290 nan 0.000 0.520 271 Q N -0.263 119.303 119.800 -0.390 0.000 2.260 271 Q HA 0.750 4.255 4.340 -1.391 0.000 0.238 271 Q C 0.202 175.974 176.000 -0.381 0.000 0.948 271 Q CA -0.198 55.420 55.803 -0.309 0.000 0.895 271 Q CB 0.858 29.432 28.738 -0.274 0.000 1.218 271 Q HN 0.355 nan 8.270 nan 0.000 0.470 272 R N 0.195 120.469 120.500 -0.377 0.000 2.808 272 R HA 0.553 4.058 4.340 -1.391 0.000 0.272 272 R C -1.667 174.390 176.300 -0.405 0.000 0.995 272 R CA -0.605 55.313 56.100 -0.302 0.000 0.917 272 R CB 1.276 31.449 30.300 -0.213 0.000 1.217 272 R HN 0.480 nan 8.270 nan 0.000 0.471 273 Y N 0.080 120.341 120.300 -0.064 0.000 2.330 273 Y HA 0.280 4.007 4.550 -1.371 0.000 0.324 273 Y C -1.042 174.837 175.900 -0.035 0.000 1.093 273 Y CA -0.995 57.083 58.100 -0.037 0.000 1.103 273 Y CB 1.953 40.400 38.460 -0.022 0.000 1.183 273 Y HN 0.468 nan 8.280 nan 0.000 0.433 274 D N 3.908 124.388 120.400 0.133 0.000 2.313 274 D HA 0.476 4.281 4.640 -1.391 0.000 0.239 274 D C -0.500 175.830 176.300 0.050 0.000 1.142 274 D CA 0.131 54.156 54.000 0.042 0.000 0.847 274 D CB 1.899 42.695 40.800 -0.008 0.000 1.082 274 D HN 0.155 nan 8.370 nan 0.000 0.480 275 V N 1.746 121.667 119.914 0.011 0.000 2.960 275 V HA 0.467 3.752 4.120 -1.391 0.000 0.315 275 V C 0.111 176.184 176.094 -0.034 0.000 1.087 275 V CA -0.949 61.352 62.300 0.001 0.000 0.982 275 V CB 2.542 34.370 31.823 0.008 0.000 1.039 275 V HN 0.205 nan 8.190 nan 0.000 0.437 276 V N 3.907 123.818 119.914 -0.005 0.000 2.376 276 V HA 0.496 3.782 4.120 -1.391 0.000 0.287 276 V C -0.361 175.760 176.094 0.046 0.000 1.015 276 V CA -0.239 62.068 62.300 0.012 0.000 0.834 276 V CB 1.357 33.213 31.823 0.056 0.000 1.001 276 V HN 0.632 nan 8.190 nan 0.000 0.428 277 I N 3.639 124.248 120.570 0.065 0.000 2.359 277 I HA 0.392 3.728 4.170 -1.391 0.000 0.294 277 I C -0.428 175.786 176.117 0.162 0.000 0.987 277 I CA -0.352 60.996 61.300 0.079 0.000 1.225 277 I CB 1.823 39.834 38.000 0.018 0.000 1.366 277 I HN 0.559 nan 8.210 nan 0.000 0.466 278 D N 5.599 126.089 120.400 0.150 0.000 2.329 278 D HA 0.368 4.173 4.640 -1.391 0.000 0.232 278 D C 0.062 176.474 176.300 0.186 0.000 1.088 278 D CA -0.375 53.724 54.000 0.165 0.000 0.835 278 D CB 1.593 42.455 40.800 0.103 0.000 1.078 278 D HN 0.591 nan 8.370 nan 0.000 0.495 279 A N 3.340 126.280 122.820 0.201 0.000 3.026 279 A HA 0.278 3.763 4.320 -1.391 0.000 0.272 279 A C 0.961 178.701 177.584 0.260 0.000 1.782 279 A CA 0.005 52.142 52.037 0.167 0.000 1.451 279 A CB -0.739 18.249 19.000 -0.019 0.000 1.081 279 A HN 0.506 nan 8.150 nan 0.000 0.611 280 S N 0.034 115.853 115.700 0.199 0.000 2.568 280 S HA 0.259 3.894 4.470 -1.391 0.000 0.232 280 S C 0.707 175.332 174.600 0.040 0.000 0.975 280 S CA -0.566 57.698 58.200 0.106 0.000 0.949 280 S CB 0.414 63.639 63.200 0.040 0.000 0.829 280 S HN 0.539 nan 8.310 nan 0.000 0.479 281 R N 1.594 122.121 120.500 0.045 0.000 2.606 281 R HA 0.733 4.238 4.340 -1.391 0.000 0.249 281 R C 0.201 176.396 176.300 -0.174 0.000 1.127 281 R CA -0.432 55.581 56.100 -0.145 0.000 1.133 281 R CB -0.021 30.039 30.300 -0.399 0.000 1.243 281 R HN 0.292 nan 8.270 nan 0.000 0.558 282 A N 2.095 124.819 122.820 -0.160 0.000 2.477 282 A HA 0.326 3.811 4.320 -1.391 0.000 0.246 282 A C -2.008 175.354 177.584 -0.370 0.000 1.078 282 A CA -1.076 50.863 52.037 -0.162 0.000 0.770 282 A CB -0.476 18.476 19.000 -0.080 0.000 1.011 282 A HN 0.281 nan 8.150 nan 0.000 0.494 283 P HA 0.173 nan 4.420 nan 0.000 0.260 283 P C -0.508 176.645 177.300 -0.244 0.000 1.185 283 P CA 0.871 63.777 63.100 -0.324 0.000 0.763 283 P CB 0.468 32.143 31.700 -0.042 0.000 0.776 284 D N 2.327 122.591 120.400 -0.226 0.000 2.879 284 D HA 0.173 3.978 4.640 -1.391 0.000 0.346 284 D C -1.384 174.883 176.300 -0.056 0.000 1.390 284 D CA -0.474 53.411 54.000 -0.192 0.000 0.838 284 D CB 0.733 41.273 40.800 -0.434 0.000 1.416 284 D HN 0.058 nan 8.370 nan 0.000 0.493 285 N N 0.601 119.152 118.700 -0.247 0.000 2.408 285 N HA 0.385 4.290 4.740 -1.391 0.000 0.280 285 N C -1.134 174.140 175.510 -0.394 0.000 1.002 285 N CA -0.137 52.840 53.050 -0.122 0.000 0.907 285 N CB 0.951 39.346 38.487 -0.154 0.000 1.161 285 N HN 0.244 nan 8.380 nan 0.000 0.488 286 Y N -0.177 120.101 120.300 -0.036 0.000 2.468 286 Y HA 0.370 4.085 4.550 -1.392 0.000 0.342 286 Y C -0.120 175.760 175.900 -0.032 0.000 1.021 286 Y CA -0.909 57.163 58.100 -0.048 0.000 1.079 286 Y CB 1.283 39.775 38.460 0.053 0.000 1.226 286 Y HN 0.392 nan 8.280 nan 0.000 0.460 287 W N 3.377 124.759 121.300 0.136 0.000 2.311 287 W HA 0.307 4.131 4.660 -1.393 0.000 0.310 287 W C -0.613 175.928 176.519 0.037 0.000 1.274 287 W CA -0.509 56.868 57.345 0.054 0.000 1.215 287 W CB 0.527 29.968 29.460 -0.032 0.000 1.227 287 W HN 0.384 nan 8.180 nan 0.000 0.523 288 F N 5.419 125.509 119.950 0.233 0.000 2.371 288 F HA 0.352 4.041 4.527 -1.397 0.000 0.363 288 F C -0.319 175.520 175.800 0.064 0.000 1.122 288 F CA -0.717 57.282 58.000 -0.003 0.000 1.129 288 F CB 0.032 39.047 39.000 0.024 0.000 1.173 288 F HN 0.248 nan 8.300 nan 0.000 0.489 289 N N 3.817 122.284 118.700 -0.387 0.000 2.443 289 N HA 0.553 4.458 4.740 -1.391 0.000 0.295 289 N C -1.444 173.795 175.510 -0.450 0.000 1.076 289 N CA -0.586 52.274 53.050 -0.317 0.000 0.919 289 N CB 2.103 40.453 38.487 -0.229 0.000 1.176 289 N HN 0.302 nan 8.380 nan 0.000 0.487 290 V N 1.494 121.222 119.914 -0.311 0.000 2.357 290 V HA 0.551 3.836 4.120 -1.391 0.000 0.284 290 V C -0.055 175.844 176.094 -0.325 0.000 1.018 290 V CA -0.512 61.552 62.300 -0.394 0.000 0.841 290 V CB 0.974 32.496 31.823 -0.502 0.000 0.991 290 V HN 0.900 nan 8.190 nan 0.000 0.437 291 T N 1.688 116.052 114.554 -0.317 0.000 2.901 291 T HA 0.810 4.325 4.350 -1.391 0.000 0.293 291 T C -0.868 173.670 174.700 -0.270 0.000 1.084 291 T CA -0.602 61.395 62.100 -0.173 0.000 1.008 291 T CB 1.875 70.726 68.868 -0.028 0.000 1.170 291 T HN 0.103 nan 8.240 nan 0.000 0.509 292 F N -0.261 119.727 119.950 0.063 0.000 2.541 292 F HA 0.855 4.545 4.527 -1.394 0.000 0.331 292 F C 1.012 176.871 175.800 0.098 0.000 1.057 292 F CA -0.314 57.742 58.000 0.093 0.000 0.975 292 F CB 2.193 41.206 39.000 0.021 0.000 1.246 292 F HN 1.116 nan 8.300 nan 0.000 0.484 293 G N -1.243 107.746 108.800 0.314 0.000 2.727 293 G HA2 0.481 3.606 3.960 -1.391 0.000 0.289 293 G HA3 0.481 3.606 3.960 -1.391 0.000 0.289 293 G C 0.048 175.041 174.900 0.155 0.000 1.418 293 G CA -0.450 44.771 45.100 0.202 0.000 0.818 293 G HN 1.261 nan 8.290 nan 0.000 0.486 294 G N -0.612 108.238 108.800 0.083 0.000 2.147 294 G HA2 -0.069 3.056 3.960 -1.391 0.000 0.244 294 G HA3 -0.069 3.056 3.960 -1.391 0.000 0.244 294 G C 0.630 175.557 174.900 0.045 0.000 1.005 294 G CA 0.743 45.867 45.100 0.039 0.000 0.713 294 G HN 1.545 nan 8.290 nan 0.000 0.515 295 Q N -3.105 116.731 119.800 0.060 0.000 2.439 295 Q HA -0.210 3.295 4.340 -1.391 0.000 0.325 295 Q C 1.461 177.496 176.000 0.059 0.000 1.372 295 Q CA 2.151 57.988 55.803 0.056 0.000 0.909 295 Q CB -2.420 26.340 28.738 0.038 0.000 1.167 295 Q HN 2.469 nan 8.270 nan 0.000 0.418 296 A N -2.129 120.729 122.820 0.063 0.000 2.861 296 A HA -0.263 3.222 4.320 -1.391 0.000 0.261 296 A C 1.613 179.224 177.584 0.045 0.000 1.351 296 A CA 2.091 54.157 52.037 0.049 0.000 0.904 296 A CB -1.820 17.272 19.000 0.154 0.000 1.076 296 A HN 1.407 nan 8.150 nan 0.000 0.729 297 A N -1.040 121.796 122.820 0.026 0.000 2.066 297 A HA 0.174 3.660 4.320 -1.391 0.000 0.218 297 A C 1.655 179.216 177.584 -0.038 0.000 1.157 297 A CA 1.870 53.906 52.037 -0.002 0.000 0.670 297 A CB -0.894 18.096 19.000 -0.015 0.000 0.804 297 A HN 2.148 nan 8.150 nan 0.000 0.453 298 c N -2.889 115.684 118.600 -0.044 0.000 2.955 298 c HA 0.664 4.399 4.570 -1.391 0.000 0.229 298 c C 0.663 174.776 174.090 0.039 0.000 1.842 298 c CA -0.615 55.623 56.329 -0.153 0.000 1.539 298 c CB -1.005 41.227 42.510 -0.463 0.000 2.869 298 c HN 1.706 nan 8.230 nan 0.000 0.503 299 G N -0.426 108.396 108.800 0.036 0.000 2.576 299 G HA2 0.504 3.629 3.960 -1.391 0.000 0.686 299 G HA3 0.504 3.629 3.960 -1.391 0.000 0.686 299 G C -0.507 174.075 174.900 -0.529 0.000 1.242 299 G CA 0.004 45.082 45.100 -0.036 0.000 0.819 299 G HN 2.003 nan 8.290 nan 0.000 0.655 300 G N -1.158 106.942 108.800 -1.167 0.000 2.698 300 G HA2 0.878 4.003 3.960 -1.391 0.000 0.293 300 G HA3 0.878 4.003 3.960 -1.391 0.000 0.293 300 G C -0.884 172.889 174.900 -1.878 0.000 1.437 300 G CA 0.771 44.388 45.100 -2.471 0.000 0.852 300 G HN 1.803 nan 8.290 nan 0.000 0.499 301 S N -0.250 114.628 115.700 -1.370 0.000 2.542 301 S HA 0.481 4.116 4.470 -1.391 0.000 0.293 301 S C 1.041 175.627 174.600 -0.024 0.000 1.089 301 S CA -0.783 57.190 58.200 -0.378 0.000 0.961 301 S CB 1.424 64.593 63.200 -0.052 0.000 1.062 301 S HN 0.496 nan 8.310 nan 0.000 0.483 302 L N 2.499 123.772 121.223 0.084 0.000 2.551 302 L HA 0.131 3.636 4.340 -1.391 0.000 0.228 302 L C 0.934 177.817 176.870 0.022 0.000 1.153 302 L CA 0.327 55.219 54.840 0.087 0.000 0.851 302 L CB -0.312 41.770 42.059 0.039 0.000 0.959 302 L HN 0.533 nan 8.230 nan 0.000 0.451 303 N N 1.166 119.869 118.700 0.005 0.000 2.437 303 N HA 0.110 4.015 4.740 -1.391 0.000 0.243 303 N C -1.525 173.955 175.510 -0.050 0.000 1.041 303 N CA -2.020 51.027 53.050 -0.005 0.000 0.940 303 N CB 1.398 39.895 38.487 0.018 0.000 1.133 303 N HN -0.109 nan 8.380 nan 0.000 0.506 304 P HA -0.101 nan 4.420 nan 0.000 0.219 304 P C -0.564 176.356 177.300 -0.632 0.000 1.146 304 P CA 1.419 64.271 63.100 -0.413 0.000 0.808 304 P CB 0.243 31.619 31.700 -0.540 0.000 0.779 305 H N -1.341 117.730 119.070 0.002 0.000 2.490 305 H HA 0.375 4.096 4.556 -1.392 0.000 0.230 305 H C -2.519 172.767 175.328 -0.069 0.000 1.417 305 H CA -2.269 53.742 56.048 -0.062 0.000 1.449 305 H CB 0.255 29.930 29.762 -0.146 0.000 1.649 305 H HN 0.156 nan 8.280 nan 0.000 0.519 306 P HA 0.343 nan 4.420 nan 0.000 0.268 306 P C -0.394 176.906 177.300 0.000 0.000 1.204 306 P CA 0.129 63.236 63.100 0.011 0.000 0.768 306 P CB 1.112 32.769 31.700 -0.072 0.000 0.842 307 A N 1.914 124.799 122.820 0.109 0.000 2.586 307 A HA 0.790 4.275 4.320 -1.391 0.000 0.291 307 A C -1.656 176.155 177.584 0.378 0.000 1.062 307 A CA -0.274 51.863 52.037 0.167 0.000 0.666 307 A CB 1.104 20.067 19.000 -0.060 0.000 1.281 307 A HN 0.524 nan 8.150 nan 0.000 0.421 308 A N -0.026 123.094 122.820 0.500 0.000 2.435 308 A HA 0.893 4.378 4.320 -1.391 0.000 0.296 308 A C -0.985 176.925 177.584 0.543 0.000 1.147 308 A CA -0.554 51.792 52.037 0.515 0.000 0.775 308 A CB 0.881 20.192 19.000 0.518 0.000 1.340 308 A HN 0.922 nan 8.150 nan 0.000 0.427 309 I N 0.381 121.178 120.570 0.379 0.000 2.404 309 I HA 0.371 3.706 4.170 -1.391 0.000 0.293 309 I C -1.425 174.880 176.117 0.312 0.000 0.992 309 I CA -0.197 61.246 61.300 0.237 0.000 1.149 309 I CB 1.540 39.527 38.000 -0.022 0.000 1.315 309 I HN 0.456 nan 8.210 nan 0.000 0.446 310 F N 4.683 124.662 119.950 0.050 0.000 2.332 310 F HA 0.282 3.972 4.527 -1.395 0.000 0.368 310 F C 0.252 176.120 175.800 0.113 0.000 1.110 310 F CA -0.664 57.342 58.000 0.009 0.000 1.087 310 F CB 0.348 39.306 39.000 -0.070 0.000 1.235 310 F HN 0.407 nan 8.300 nan 0.000 0.470 311 H N 3.258 122.350 119.070 0.037 0.000 2.517 311 H HA 0.338 4.058 4.556 -1.392 0.000 0.317 311 H C -1.284 174.102 175.328 0.097 0.000 1.080 311 H CA -0.487 55.611 56.048 0.083 0.000 1.301 311 H CB 0.504 30.264 29.762 -0.004 0.000 1.425 311 H HN 0.415 nan 8.280 nan 0.000 0.471 312 Y N 3.399 123.413 120.300 -0.475 0.000 2.402 312 Y HA 0.282 3.998 4.550 -1.391 0.000 0.333 312 Y C 0.621 176.156 175.900 -0.608 0.000 1.076 312 Y CA -0.094 57.789 58.100 -0.361 0.000 1.299 312 Y CB 0.652 39.039 38.460 -0.123 0.000 1.197 312 Y HN 0.856 nan 8.280 nan 0.000 0.517 313 A N 3.121 125.817 122.820 -0.207 0.000 2.526 313 A HA 0.400 3.885 4.320 -1.391 0.000 0.267 313 A C 1.354 178.931 177.584 -0.013 0.000 1.095 313 A CA 1.017 53.008 52.037 -0.078 0.000 0.775 313 A CB -1.089 17.905 19.000 -0.009 0.000 1.036 313 A HN 1.407 nan 8.150 nan 0.000 0.510 314 G N 0.997 109.816 108.800 0.033 0.000 2.284 314 G HA2 0.220 3.345 3.960 -1.391 0.000 0.201 314 G HA3 0.220 3.345 3.960 -1.391 0.000 0.201 314 G C 0.528 175.464 174.900 0.059 0.000 0.998 314 G CA 0.200 45.333 45.100 0.055 0.000 0.651 314 G HN 2.021 nan 8.290 nan 0.000 0.489 315 A N 1.512 124.349 122.820 0.028 0.000 2.271 315 A HA 0.835 4.320 4.320 -1.391 0.000 0.288 315 A C -1.218 176.490 177.584 0.207 0.000 1.094 315 A CA -0.674 51.400 52.037 0.062 0.000 0.828 315 A CB 0.411 19.407 19.000 -0.006 0.000 1.091 315 A HN 0.281 nan 8.150 nan 0.000 0.493 316 P HA 0.112 nan 4.420 nan 0.000 0.271 316 P C 0.192 177.573 177.300 0.134 0.000 1.233 316 P CA 0.323 63.480 63.100 0.097 0.000 0.795 316 P CB 0.384 32.102 31.700 0.029 0.000 0.936 317 G N -0.189 108.610 108.800 -0.002 0.000 4.873 317 G HA2 0.499 3.624 3.960 -1.391 0.000 0.314 317 G HA3 0.499 3.624 3.960 -1.391 0.000 0.314 317 G C 0.327 175.164 174.900 -0.105 0.000 1.426 317 G CA -0.225 44.792 45.100 -0.139 0.000 1.136 317 G HN 0.709 nan 8.290 nan 0.000 0.589 318 G N -0.083 108.673 108.800 -0.073 0.000 2.857 318 G HA2 0.602 3.727 3.960 -1.391 0.000 0.217 318 G HA3 0.602 3.727 3.960 -1.391 0.000 0.217 318 G C -0.221 174.605 174.900 -0.122 0.000 1.357 318 G CA -0.992 44.065 45.100 -0.072 0.000 1.033 318 G HN 0.329 nan 8.290 nan 0.000 0.571 319 L N 1.335 122.483 121.223 -0.125 0.000 2.375 319 L HA 0.300 3.805 4.340 -1.391 0.000 0.271 319 L C -1.932 174.686 176.870 -0.420 0.000 1.107 319 L CA -1.442 53.240 54.840 -0.264 0.000 0.806 319 L CB 1.462 43.486 42.059 -0.058 0.000 1.146 319 L HN 0.237 nan 8.230 nan 0.000 0.447 320 P HA 0.002 nan 4.420 nan 0.000 0.269 320 P C 0.392 177.436 177.300 -0.426 0.000 1.217 320 P CA -0.015 62.584 63.100 -0.834 0.000 0.783 320 P CB 0.606 31.346 31.700 -1.601 0.000 0.898 321 T N -3.626 110.773 114.554 -0.258 0.000 3.000 321 T HA 0.086 3.601 4.350 -1.391 0.000 0.248 321 T C 0.399 175.109 174.700 0.016 0.000 1.034 321 T CA 0.141 62.198 62.100 -0.072 0.000 1.060 321 T CB -0.297 68.517 68.868 -0.090 0.000 0.983 321 T HN 0.271 nan 8.240 nan 0.000 0.482 322 D N 1.712 122.104 120.400 -0.015 0.000 2.347 322 D HA 0.222 4.027 4.640 -1.391 0.000 0.235 322 D C 0.823 177.252 176.300 0.215 0.000 1.149 322 D CA -0.276 53.762 54.000 0.063 0.000 0.850 322 D CB 1.182 41.991 40.800 0.016 0.000 1.061 322 D HN 0.281 nan 8.370 nan 0.000 0.487 323 E N 2.387 122.686 120.200 0.166 0.000 2.418 323 E HA 0.116 3.631 4.350 -1.391 0.000 0.197 323 E C 1.206 177.835 176.600 0.048 0.000 1.026 323 E CA 0.371 56.833 56.400 0.103 0.000 0.862 323 E CB -0.039 29.647 29.700 -0.024 0.000 0.799 323 E HN 0.770 nan 8.360 nan 0.000 0.518 324 G N 0.871 109.712 108.800 0.069 0.000 2.806 324 G HA2 -0.303 2.822 3.960 -1.391 0.000 0.236 324 G HA3 -0.303 2.822 3.960 -1.391 0.000 0.236 324 G C -0.133 174.770 174.900 0.005 0.000 1.387 324 G CA 0.020 45.148 45.100 0.047 0.000 0.884 324 G HN 0.200 nan 8.290 nan 0.000 0.560 325 T N 1.663 116.220 114.554 0.004 0.000 2.859 325 T HA 0.673 4.188 4.350 -1.391 0.000 0.281 325 T C -1.740 172.952 174.700 -0.012 0.000 1.005 325 T CA -0.565 61.532 62.100 -0.006 0.000 1.025 325 T CB 1.161 70.028 68.868 -0.001 0.000 0.977 325 T HN 0.751 nan 8.240 nan 0.000 0.458 326 P HA 0.252 nan 4.420 nan 0.000 0.267 326 P C -2.361 174.939 177.300 0.000 0.000 1.209 326 P CA -0.954 62.144 63.100 -0.004 0.000 0.763 326 P CB -0.147 31.561 31.700 0.013 0.000 0.816 327 P HA 0.015 nan 4.420 nan 0.000 0.271 327 P C -0.059 177.249 177.300 0.012 0.000 1.233 327 P CA -0.214 62.894 63.100 0.014 0.000 0.789 327 P CB 0.497 32.221 31.700 0.040 0.000 0.951 328 V N 1.214 121.107 119.914 -0.034 0.000 2.872 328 V HA -0.052 3.233 4.120 -1.391 0.000 0.307 328 V C 1.097 177.131 176.094 -0.100 0.000 1.072 328 V CA 0.292 62.529 62.300 -0.106 0.000 1.148 328 V CB -0.199 31.495 31.823 -0.215 0.000 0.954 328 V HN 0.620 nan 8.190 nan 0.000 0.490 329 D N 2.097 122.453 120.400 -0.073 0.000 2.339 329 D HA 0.037 3.842 4.640 -1.391 0.000 0.256 329 D C 0.941 177.191 176.300 -0.083 0.000 1.214 329 D CA 0.025 54.020 54.000 -0.008 0.000 0.877 329 D CB 0.401 41.202 40.800 0.002 0.000 1.111 329 D HN 0.622 nan 8.370 nan 0.000 0.478 330 H N 3.186 122.247 119.070 -0.016 0.000 2.547 330 H HA -0.002 3.722 4.556 -1.386 0.000 0.266 330 H C 0.394 175.590 175.328 -0.220 0.000 0.988 330 H CA 0.202 56.191 56.048 -0.097 0.000 1.147 330 H CB 0.552 30.282 29.762 -0.054 0.000 1.365 330 H HN 0.509 nan 8.280 nan 0.000 0.589 331 Q N -0.761 119.006 119.800 -0.055 0.000 2.451 331 Q HA -0.184 3.321 4.340 -1.391 0.000 0.305 331 Q C 0.627 176.487 176.000 -0.233 0.000 1.345 331 Q CA 0.803 56.544 55.803 -0.104 0.000 0.854 331 Q CB -2.689 25.996 28.738 -0.087 0.000 1.162 331 Q HN 0.703 nan 8.270 nan 0.000 0.440 332 c N -1.751 116.630 118.600 -0.365 0.000 4.274 332 c HA -0.231 3.504 4.570 -1.391 0.000 0.297 332 c C 0.704 174.309 174.090 -0.808 0.000 1.446 332 c CA 0.971 56.967 56.329 -0.554 0.000 2.016 332 c CB -2.247 40.146 42.510 -0.195 0.000 1.273 332 c HN 0.512 nan 8.230 nan 0.000 0.782 333 L N 1.033 121.623 121.223 -1.056 0.000 2.381 333 L HA 0.573 4.079 4.340 -1.391 0.000 0.268 333 L C 0.009 176.612 176.870 -0.445 0.000 0.997 333 L CA -0.515 53.992 54.840 -0.557 0.000 0.818 333 L CB 1.471 43.379 42.059 -0.253 0.000 1.310 333 L HN 0.212 nan 8.230 nan 0.000 0.416 334 D N -0.234 120.187 120.400 0.034 0.000 2.294 334 D HA 0.144 3.950 4.640 -1.391 0.000 0.250 334 D C -0.051 176.361 176.300 0.186 0.000 1.058 334 D CA -0.419 53.765 54.000 0.307 0.000 0.950 334 D CB 1.685 42.724 40.800 0.399 0.000 1.158 334 D HN 0.289 nan 8.370 nan 0.000 0.453 335 T N 0.104 114.792 114.554 0.224 0.000 2.913 335 T HA 0.255 3.770 4.350 -1.391 0.000 0.297 335 T C 0.831 175.620 174.700 0.147 0.000 1.029 335 T CA -0.516 61.678 62.100 0.156 0.000 1.104 335 T CB 0.116 69.069 68.868 0.141 0.000 0.964 335 T HN 0.332 nan 8.240 nan 0.000 0.532 336 L N 3.515 124.798 121.223 0.099 0.000 2.910 336 L HA 0.297 3.802 4.340 -1.391 0.000 0.252 336 L C 0.973 177.891 176.870 0.080 0.000 1.195 336 L CA -0.112 54.784 54.840 0.093 0.000 1.003 336 L CB 0.214 42.311 42.059 0.063 0.000 1.328 336 L HN 0.608 nan 8.230 nan 0.000 0.540 337 D N 0.358 120.807 120.400 0.081 0.000 2.348 337 D HA -0.000 3.805 4.640 -1.391 0.000 0.211 337 D C 1.017 177.363 176.300 0.077 0.000 0.998 337 D CA 0.453 54.493 54.000 0.066 0.000 0.873 337 D CB 0.454 41.286 40.800 0.053 0.000 0.925 337 D HN 0.192 nan 8.370 nan 0.000 0.524 338 V N 0.035 120.011 119.914 0.103 0.000 2.655 338 V HA 0.268 3.553 4.120 -1.391 0.000 0.300 338 V C 0.153 176.302 176.094 0.091 0.000 1.044 338 V CA -0.365 62.001 62.300 0.110 0.000 1.095 338 V CB 0.874 32.790 31.823 0.155 0.000 0.952 338 V HN -0.112 nan 8.190 nan 0.000 0.485 339 R N 5.602 126.151 120.500 0.082 0.000 2.409 339 R HA 0.499 4.004 4.340 -1.391 0.000 0.313 339 R C -2.821 173.525 176.300 0.077 0.000 0.953 339 R CA -2.141 54.002 56.100 0.072 0.000 0.849 339 R CB 2.011 32.347 30.300 0.061 0.000 1.171 339 R HN 0.622 nan 8.270 nan 0.000 0.458 340 P HA -0.000 nan 4.420 nan 0.000 0.269 340 P C 0.954 178.307 177.300 0.089 0.000 1.209 340 P CA -0.195 62.958 63.100 0.088 0.000 0.776 340 P CB 1.091 32.849 31.700 0.096 0.000 0.876 341 V N 2.808 122.782 119.914 0.101 0.000 2.255 341 V HA -0.167 3.118 4.120 -1.391 0.000 0.247 341 V C 1.362 177.516 176.094 0.100 0.000 1.051 341 V CA 1.665 64.027 62.300 0.104 0.000 1.018 341 V CB -0.554 31.344 31.823 0.126 0.000 0.641 341 V HN 0.345 nan 8.190 nan 0.000 0.445 342 V N 3.713 123.694 119.914 0.112 0.000 2.405 342 V HA 0.214 3.499 4.120 -1.391 0.000 0.264 342 V C -1.682 174.445 176.094 0.054 0.000 1.048 342 V CA -1.430 60.912 62.300 0.070 0.000 0.966 342 V CB 0.507 32.338 31.823 0.014 0.000 1.015 342 V HN 0.400 nan 8.190 nan 0.000 0.477 343 P HA 0.381 nan 4.420 nan 0.000 0.274 343 P C -0.677 176.660 177.300 0.062 0.000 1.246 343 P CA -0.516 62.617 63.100 0.054 0.000 0.795 343 P CB 1.280 33.009 31.700 0.048 0.000 1.006 344 R N -0.165 120.374 120.500 0.065 0.000 2.740 344 R HA 0.648 4.154 4.340 -1.391 0.000 0.273 344 R C -0.926 175.385 176.300 0.019 0.000 0.998 344 R CA -0.764 55.392 56.100 0.094 0.000 0.900 344 R CB 1.840 32.227 30.300 0.144 0.000 1.223 344 R HN 0.550 nan 8.270 nan 0.000 0.466 345 S N 0.621 116.320 115.700 -0.000 0.000 2.668 345 S HA 0.550 4.185 4.470 -1.391 0.000 0.277 345 S C -1.731 172.757 174.600 -0.186 0.000 1.170 345 S CA -0.561 57.596 58.200 -0.071 0.000 0.994 345 S CB 1.233 64.430 63.200 -0.005 0.000 1.051 345 S HN 0.295 nan 8.310 nan 0.000 0.484 346 V N 6.707 126.437 119.914 -0.308 0.000 2.760 346 V HA 0.749 4.035 4.120 -1.391 0.000 0.309 346 V C -2.432 173.557 176.094 -0.175 0.000 1.077 346 V CA -2.014 60.028 62.300 -0.430 0.000 0.910 346 V CB 2.422 33.644 31.823 -1.001 0.000 1.008 346 V HN 0.839 nan 8.190 nan 0.000 0.424 347 P HA 0.185 nan 4.420 nan 0.000 0.271 347 P C 0.114 177.390 177.300 -0.040 0.000 1.218 347 P CA 0.273 63.353 63.100 -0.033 0.000 0.780 347 P CB 1.508 33.201 31.700 -0.012 0.000 0.901 348 V N -1.192 118.690 119.914 -0.054 0.000 3.411 348 V HA 0.074 3.359 4.120 -1.391 0.000 0.287 348 V C 1.676 177.751 176.094 -0.032 0.000 1.543 348 V CA 0.336 62.597 62.300 -0.066 0.000 1.028 348 V CB -0.618 31.192 31.823 -0.022 0.000 0.840 348 V HN 0.485 nan 8.190 nan 0.000 0.435 349 N N 3.000 121.681 118.700 -0.031 0.000 2.381 349 N HA -0.138 3.768 4.740 -1.391 0.000 0.182 349 N C 1.419 176.910 175.510 -0.033 0.000 1.025 349 N CA 1.803 54.844 53.050 -0.015 0.000 0.888 349 N CB -0.216 38.260 38.487 -0.018 0.000 0.965 349 N HN 0.707 nan 8.380 nan 0.000 0.438 350 S N -1.016 114.637 115.700 -0.078 0.000 2.557 350 S HA 0.172 3.807 4.470 -1.391 0.000 0.223 350 S C 0.220 174.713 174.600 -0.178 0.000 0.969 350 S CA -0.954 57.176 58.200 -0.117 0.000 0.927 350 S CB -0.661 62.465 63.200 -0.124 0.000 0.806 350 S HN 0.258 nan 8.310 nan 0.000 0.489 351 F N 2.766 122.536 119.950 -0.300 0.000 2.553 351 F HA 0.464 4.157 4.527 -1.389 0.000 0.356 351 F C -0.356 175.314 175.800 -0.217 0.000 1.142 351 F CA -0.290 57.490 58.000 -0.365 0.000 1.322 351 F CB 0.686 39.459 39.000 -0.379 0.000 1.126 351 F HN -0.026 nan 8.300 nan 0.000 0.599 352 V N 6.308 125.295 119.914 -1.546 0.000 2.653 352 V HA 0.158 3.443 4.120 -1.391 0.000 0.298 352 V C -0.449 174.922 176.094 -1.205 0.000 1.097 352 V CA -1.456 60.232 62.300 -1.020 0.000 0.908 352 V CB 1.633 33.150 31.823 -0.509 0.000 1.024 352 V HN 0.751 nan 8.190 nan 0.000 0.435 353 K N 5.069 124.993 120.400 -0.794 0.000 2.484 353 K HA 0.339 3.824 4.320 -1.391 0.000 0.280 353 K C -0.222 176.215 176.600 -0.272 0.000 1.013 353 K CA 0.301 56.341 56.287 -0.411 0.000 1.029 353 K CB 0.467 32.909 32.500 -0.097 0.000 0.902 353 K HN 0.677 nan 8.250 nan 0.000 0.481 354 R N 3.455 123.842 120.500 -0.189 0.000 2.764 354 R HA 0.211 3.716 4.340 -1.391 0.000 0.270 354 R C -2.168 174.111 176.300 -0.035 0.000 1.014 354 R CA -1.950 54.080 56.100 -0.118 0.000 0.904 354 R CB 1.325 31.534 30.300 -0.151 0.000 1.236 354 R HN 0.352 nan 8.270 nan 0.000 0.466 355 P HA -0.145 nan 4.420 nan 0.000 0.217 355 P C 0.228 177.572 177.300 0.073 0.000 1.150 355 P CA 1.273 64.395 63.100 0.036 0.000 0.832 355 P CB 0.138 31.855 31.700 0.028 0.000 0.787 356 D N -1.435 118.996 120.400 0.052 0.000 2.328 356 D HA -0.059 3.746 4.640 -1.391 0.000 0.226 356 D C 0.633 176.996 176.300 0.105 0.000 1.066 356 D CA 0.271 54.334 54.000 0.105 0.000 0.861 356 D CB -1.143 39.699 40.800 0.070 0.000 0.912 356 D HN 0.217 nan 8.370 nan 0.000 0.521 357 N N -1.396 117.328 118.700 0.040 0.000 2.143 357 N HA 0.046 3.951 4.740 -1.391 0.000 0.229 357 N C -0.832 174.800 175.510 0.203 0.000 1.294 357 N CA -0.323 52.668 53.050 -0.098 0.000 0.883 357 N CB 0.297 38.623 38.487 -0.267 0.000 1.148 357 N HN -0.137 nan 8.380 nan 0.000 0.511 358 T N 1.363 116.063 114.554 0.243 0.000 2.797 358 T HA 0.496 4.011 4.350 -1.391 0.000 0.279 358 T C -0.564 174.297 174.700 0.269 0.000 0.991 358 T CA -0.470 61.773 62.100 0.239 0.000 0.979 358 T CB 1.517 70.469 68.868 0.141 0.000 0.943 358 T HN 0.072 nan 8.240 nan 0.000 0.444 359 L N 6.043 127.434 121.223 0.279 0.000 2.337 359 L HA 0.359 3.864 4.340 -1.391 0.000 0.269 359 L C -2.203 174.777 176.870 0.182 0.000 1.018 359 L CA -2.095 52.879 54.840 0.225 0.000 0.876 359 L CB 1.412 43.622 42.059 0.252 0.000 1.236 359 L HN 0.329 nan 8.230 nan 0.000 0.436 360 P HA 0.122 nan 4.420 nan 0.000 0.282 360 P C -0.405 176.965 177.300 0.116 0.000 1.274 360 P CA -0.157 63.024 63.100 0.134 0.000 0.770 360 P CB 1.724 33.491 31.700 0.111 0.000 0.867 361 V N 3.911 123.904 119.914 0.131 0.000 2.465 361 V HA 0.608 3.893 4.120 -1.391 0.000 0.279 361 V C 0.663 176.852 176.094 0.160 0.000 1.045 361 V CA -0.190 62.186 62.300 0.127 0.000 0.938 361 V CB 0.842 32.724 31.823 0.098 0.000 0.986 361 V HN 0.782 nan 8.190 nan 0.000 0.467 362 A N 4.784 127.697 122.820 0.154 0.000 2.539 362 A HA 0.852 4.337 4.320 -1.391 0.000 0.296 362 A C -1.440 176.136 177.584 -0.015 0.000 1.073 362 A CA -0.634 51.451 52.037 0.080 0.000 0.700 362 A CB 1.696 20.709 19.000 0.021 0.000 1.296 362 A HN 0.761 nan 8.150 nan 0.000 0.405 363 L N 1.545 122.630 121.223 -0.230 0.000 2.280 363 L HA 0.563 4.068 4.340 -1.391 0.000 0.287 363 L C -0.895 175.745 176.870 -0.385 0.000 1.023 363 L CA -0.146 54.331 54.840 -0.605 0.000 0.819 363 L CB 1.137 42.667 42.059 -0.883 0.000 1.212 363 L HN 0.651 nan 8.230 nan 0.000 0.420 364 D N 4.581 124.787 120.400 -0.323 0.000 2.359 364 D HA 0.248 4.053 4.640 -1.391 0.000 0.230 364 D C 0.351 176.508 176.300 -0.237 0.000 1.118 364 D CA -0.049 53.819 54.000 -0.221 0.000 0.844 364 D CB 0.882 41.593 40.800 -0.149 0.000 1.059 364 D HN 0.625 nan 8.370 nan 0.000 0.493 365 L N 2.898 123.984 121.223 -0.229 0.000 2.667 365 L HA 0.127 3.632 4.340 -1.391 0.000 0.232 365 L C 1.979 178.732 176.870 -0.195 0.000 1.138 365 L CA 0.132 54.824 54.840 -0.247 0.000 0.921 365 L CB 0.099 42.012 42.059 -0.244 0.000 1.180 365 L HN 0.428 nan 8.230 nan 0.000 0.487 366 T N -3.755 110.708 114.554 -0.152 0.000 3.065 366 T HA 0.196 3.711 4.350 -1.391 0.000 0.252 366 T C 1.091 175.728 174.700 -0.105 0.000 1.099 366 T CA 0.460 62.489 62.100 -0.117 0.000 1.063 366 T CB 0.309 69.122 68.868 -0.091 0.000 0.948 366 T HN 0.240 nan 8.240 nan 0.000 0.506 367 G N 0.504 109.237 108.800 -0.112 0.000 3.134 367 G HA2 0.579 3.705 3.960 -1.391 0.000 0.158 367 G HA3 0.579 3.705 3.960 -1.391 0.000 0.158 367 G C -1.003 173.837 174.900 -0.100 0.000 1.334 367 G CA -0.475 44.570 45.100 -0.091 0.000 1.001 367 G HN 0.337 nan 8.290 nan 0.000 0.600 368 T N 1.609 116.115 114.554 -0.081 0.000 3.071 368 T HA 0.530 4.045 4.350 -1.391 0.000 0.311 368 T C -2.404 172.262 174.700 -0.057 0.000 1.042 368 T CA -0.335 61.719 62.100 -0.077 0.000 1.028 368 T CB 1.871 70.707 68.868 -0.055 0.000 1.068 368 T HN 0.333 nan 8.240 nan 0.000 0.451 369 P HA 0.282 nan 4.420 nan 0.000 0.282 369 P C 1.075 178.276 177.300 -0.164 0.000 1.286 369 P CA -0.763 62.277 63.100 -0.099 0.000 0.777 369 P CB 0.493 32.152 31.700 -0.070 0.000 1.184 370 L N -0.370 120.693 121.223 -0.266 0.000 1.994 370 L HA 0.048 3.554 4.340 -1.391 0.000 0.208 370 L C 0.583 177.134 176.870 -0.531 0.000 1.071 370 L CA 1.543 56.100 54.840 -0.472 0.000 0.745 370 L CB -0.805 40.811 42.059 -0.738 0.000 0.892 370 L HN 0.225 nan 8.230 nan 0.000 0.431 371 F N 0.232 120.098 119.950 -0.141 0.000 2.335 371 F HA 0.429 4.123 4.527 -1.388 0.000 0.365 371 F C -0.260 175.418 175.800 -0.204 0.000 1.122 371 F CA -0.702 57.175 58.000 -0.204 0.000 1.151 371 F CB 0.629 39.572 39.000 -0.095 0.000 1.282 371 F HN -0.365 nan 8.300 nan 0.000 0.513 372 V N 3.086 122.903 119.914 -0.161 0.000 2.483 372 V HA 0.275 3.560 4.120 -1.391 0.000 0.297 372 V C -0.877 175.080 176.094 -0.229 0.000 1.027 372 V CA -1.151 61.086 62.300 -0.106 0.000 0.855 372 V CB 1.259 33.035 31.823 -0.078 0.000 0.995 372 V HN 0.587 nan 8.190 nan 0.000 0.424 373 W N 4.268 125.582 121.300 0.024 0.000 2.417 373 W HA 0.661 4.496 4.660 -1.375 0.000 0.317 373 W C 0.282 176.779 176.519 -0.038 0.000 1.121 373 W CA -0.441 56.889 57.345 -0.024 0.000 1.208 373 W CB 1.152 30.578 29.460 -0.057 0.000 1.253 373 W HN 0.314 nan 8.180 nan 0.000 0.533 374 K N 1.827 122.325 120.400 0.163 0.000 2.385 374 K HA 0.734 4.219 4.320 -1.391 0.000 0.248 374 K C -1.448 175.200 176.600 0.079 0.000 0.955 374 K CA -1.189 55.147 56.287 0.081 0.000 0.816 374 K CB 2.679 35.195 32.500 0.026 0.000 1.250 374 K HN 0.125 nan 8.250 nan 0.000 0.434 375 V N 2.471 122.410 119.914 0.041 0.000 2.483 375 V HA 0.177 3.462 4.120 -1.391 0.000 0.297 375 V C -0.118 175.992 176.094 0.027 0.000 1.027 375 V CA -0.793 61.527 62.300 0.034 0.000 0.855 375 V CB 1.116 32.940 31.823 0.002 0.000 0.995 375 V HN 0.948 nan 8.190 nan 0.000 0.424 376 N N 3.711 122.438 118.700 0.046 0.000 2.740 376 N HA -0.191 3.714 4.740 -1.391 0.000 0.248 376 N C 1.038 176.565 175.510 0.028 0.000 1.062 376 N CA 1.886 54.963 53.050 0.045 0.000 0.704 376 N CB -0.994 37.522 38.487 0.047 0.000 0.968 376 N HN 1.663 nan 8.380 nan 0.000 0.547 377 G N -2.306 106.508 108.800 0.024 0.000 2.176 377 G HA2 -0.214 2.911 3.960 -1.391 0.000 0.253 377 G HA3 -0.214 2.911 3.960 -1.391 0.000 0.253 377 G C 0.006 174.907 174.900 0.003 0.000 0.979 377 G CA 0.878 45.985 45.100 0.011 0.000 0.641 377 G HN 1.489 nan 8.290 nan 0.000 0.530 378 S N 0.781 116.483 115.700 0.003 0.000 2.541 378 S HA 0.552 4.187 4.470 -1.391 0.000 0.280 378 S C -0.993 173.606 174.600 -0.001 0.000 1.112 378 S CA 0.123 58.320 58.200 -0.005 0.000 0.925 378 S CB 1.532 64.723 63.200 -0.014 0.000 1.067 378 S HN 0.564 nan 8.310 nan 0.000 0.479 379 D N 4.018 124.417 120.400 -0.001 0.000 2.280 379 D HA 0.205 4.010 4.640 -1.391 0.000 0.243 379 D C 0.442 176.733 176.300 -0.015 0.000 1.129 379 D CA -0.457 53.551 54.000 0.013 0.000 0.848 379 D CB 0.802 41.614 40.800 0.021 0.000 1.107 379 D HN 0.615 nan 8.370 nan 0.000 0.471 380 I N 1.975 122.529 120.570 -0.026 0.000 2.752 380 I HA -0.020 3.315 4.170 -1.391 0.000 0.287 380 I C -0.115 175.958 176.117 -0.074 0.000 1.188 380 I CA 0.342 61.606 61.300 -0.061 0.000 1.427 380 I CB 0.324 38.275 38.000 -0.081 0.000 1.365 380 I HN 0.412 nan 8.210 nan 0.000 0.585 381 N N 7.017 125.658 118.700 -0.098 0.000 2.699 381 N HA 0.167 4.072 4.740 -1.391 0.000 0.271 381 N C -1.098 174.321 175.510 -0.153 0.000 1.216 381 N CA -0.434 52.536 53.050 -0.133 0.000 0.844 381 N CB 1.422 39.844 38.487 -0.109 0.000 1.462 381 N HN 0.402 nan 8.380 nan 0.000 0.555 382 V N 0.328 120.123 119.914 -0.199 0.000 3.036 382 V HA 0.558 3.843 4.120 -1.391 0.000 0.308 382 V C 0.211 176.164 176.094 -0.235 0.000 1.070 382 V CA -0.421 61.775 62.300 -0.172 0.000 1.056 382 V CB 1.576 33.314 31.823 -0.142 0.000 1.084 382 V HN 0.504 nan 8.190 nan 0.000 0.471 383 D N 2.671 123.010 120.400 -0.101 0.000 2.373 383 D HA 0.246 4.051 4.640 -1.391 0.000 0.227 383 D C 0.464 176.793 176.300 0.047 0.000 1.091 383 D CA -0.547 53.413 54.000 -0.067 0.000 0.840 383 D CB 0.890 41.721 40.800 0.053 0.000 1.060 383 D HN 0.682 nan 8.370 nan 0.000 0.502 384 W N 2.724 123.982 121.300 -0.070 0.000 2.392 384 W HA 0.018 3.839 4.660 -1.398 0.000 0.279 384 W C 1.919 178.440 176.519 0.004 0.000 1.225 384 W CA 0.952 58.230 57.345 -0.112 0.000 1.233 384 W CB -0.799 28.562 29.460 -0.165 0.000 1.122 384 W HN 0.605 nan 8.180 nan 0.000 0.561 385 G N -0.441 108.551 108.800 0.320 0.000 2.712 385 G HA2 -0.084 3.041 3.960 -1.391 0.000 0.212 385 G HA3 -0.084 3.041 3.960 -1.391 0.000 0.212 385 G C 0.686 175.693 174.900 0.178 0.000 1.142 385 G CA 0.135 45.414 45.100 0.299 0.000 0.789 385 G HN 0.127 nan 8.290 nan 0.000 0.535 386 K N 0.897 121.396 120.400 0.165 0.000 2.984 386 K HA 0.240 3.725 4.320 -1.391 0.000 0.211 386 K C -2.839 173.922 176.600 0.268 0.000 1.174 386 K CA -1.438 54.944 56.287 0.158 0.000 0.978 386 K CB 2.057 34.605 32.500 0.081 0.000 1.212 386 K HN -0.038 nan 8.250 nan 0.000 0.589 387 P HA 0.003 nan 4.420 nan 0.000 0.271 387 P C 0.910 178.450 177.300 0.400 0.000 1.244 387 P CA -0.435 62.847 63.100 0.303 0.000 0.793 387 P CB 0.805 32.699 31.700 0.323 0.000 0.984 388 I N 0.761 121.481 120.570 0.250 0.000 2.264 388 I HA -0.218 3.117 4.170 -1.391 0.000 0.248 388 I C 2.254 178.516 176.117 0.241 0.000 1.111 388 I CA 1.206 62.634 61.300 0.213 0.000 1.382 388 I CB -0.983 36.975 38.000 -0.070 0.000 1.060 388 I HN 0.267 nan 8.210 nan 0.000 0.418 389 I N 0.232 120.854 120.570 0.086 0.000 2.423 389 I HA -0.291 3.044 4.170 -1.391 0.000 0.254 389 I C 2.144 178.187 176.117 -0.122 0.000 1.151 389 I CA 1.483 62.705 61.300 -0.129 0.000 1.421 389 I CB -1.305 36.434 38.000 -0.436 0.000 1.079 389 I HN 0.311 nan 8.210 nan 0.000 0.431 390 D N -0.189 120.294 120.400 0.138 0.000 2.178 390 D HA -0.208 3.597 4.640 -1.391 0.000 0.202 390 D C 2.145 178.482 176.300 0.062 0.000 0.974 390 D CA 1.187 55.277 54.000 0.150 0.000 0.841 390 D CB 0.014 40.958 40.800 0.241 0.000 0.953 390 D HN 0.280 nan 8.370 nan 0.000 0.478 391 Y N 0.093 120.450 120.300 0.094 0.000 2.200 391 Y HA -0.073 3.642 4.550 -1.392 0.000 0.290 391 Y C 2.258 178.199 175.900 0.068 0.000 1.137 391 Y CA 0.456 58.613 58.100 0.095 0.000 1.163 391 Y CB -0.208 38.377 38.460 0.207 0.000 0.988 391 Y HN 0.073 nan 8.280 nan 0.000 0.518 392 I N -0.062 120.644 120.570 0.227 0.000 2.226 392 I HA -0.280 3.056 4.170 -1.391 0.000 0.245 392 I C 2.055 178.193 176.117 0.036 0.000 1.100 392 I CA 1.654 63.020 61.300 0.109 0.000 1.374 392 I CB -1.191 36.825 38.000 0.026 0.000 1.057 392 I HN 0.286 nan 8.210 nan 0.000 0.413 393 L N 0.212 121.428 121.223 -0.011 0.000 2.465 393 L HA -0.098 3.407 4.340 -1.391 0.000 0.224 393 L C 1.690 178.561 176.870 0.001 0.000 1.145 393 L CA 1.237 56.060 54.840 -0.028 0.000 0.834 393 L CB -0.620 41.395 42.059 -0.074 0.000 0.944 393 L HN 0.366 nan 8.230 nan 0.000 0.451 394 T N -4.363 110.198 114.554 0.011 0.000 3.182 394 T HA 0.297 3.812 4.350 -1.391 0.000 0.277 394 T C 1.171 175.876 174.700 0.008 0.000 1.013 394 T CA 0.174 62.275 62.100 0.002 0.000 0.900 394 T CB 0.570 69.424 68.868 -0.024 0.000 1.098 394 T HN 0.297 nan 8.240 nan 0.000 0.543 395 G N 2.236 111.050 108.800 0.025 0.000 2.366 395 G HA2 -0.258 2.867 3.960 -1.391 0.000 0.299 395 G HA3 -0.258 2.867 3.960 -1.391 0.000 0.299 395 G C -0.197 174.710 174.900 0.012 0.000 1.020 395 G CA -0.034 45.080 45.100 0.023 0.000 1.026 395 G HN 0.714 nan 8.290 nan 0.000 0.512 396 N N 0.025 118.744 118.700 0.031 0.000 2.446 396 N HA 0.472 4.377 4.740 -1.391 0.000 0.265 396 N C 1.119 176.574 175.510 -0.091 0.000 0.975 396 N CA 0.151 53.211 53.050 0.015 0.000 0.928 396 N CB 1.246 39.762 38.487 0.048 0.000 1.160 396 N HN 0.289 nan 8.380 nan 0.000 0.495 397 T N -1.107 113.296 114.554 -0.252 0.000 3.176 397 T HA 0.186 3.702 4.350 -1.391 0.000 0.263 397 T C 0.289 174.547 174.700 -0.736 0.000 1.021 397 T CA -0.299 61.401 62.100 -0.667 0.000 0.905 397 T CB -0.250 68.438 68.868 -0.301 0.000 1.057 397 T HN 0.190 nan 8.240 nan 0.000 0.558 398 S N 2.354 117.830 115.700 -0.374 0.000 3.983 398 S HA 0.309 3.944 4.470 -1.391 0.000 0.194 398 S C -0.579 173.932 174.600 -0.148 0.000 1.464 398 S CA -0.786 57.308 58.200 -0.177 0.000 1.021 398 S CB -0.897 62.298 63.200 -0.007 0.000 1.424 398 S HN 0.578 nan 8.310 nan 0.000 0.473 399 Y N 2.970 123.190 120.300 -0.134 0.000 2.544 399 Y HA 0.209 3.926 4.550 -1.388 0.000 0.330 399 Y C -1.555 174.244 175.900 -0.169 0.000 1.136 399 Y CA -2.213 55.675 58.100 -0.354 0.000 1.417 399 Y CB -0.323 37.933 38.460 -0.340 0.000 1.229 399 Y HN 0.296 nan 8.280 nan 0.000 0.532 400 P HA -0.018 nan 4.420 nan 0.000 0.271 400 P C 0.798 178.100 177.300 0.004 0.000 1.218 400 P CA -0.142 62.973 63.100 0.025 0.000 0.780 400 P CB 1.527 33.252 31.700 0.042 0.000 0.901 401 V N 2.027 121.945 119.914 0.007 0.000 2.453 401 V HA -0.237 3.048 4.120 -1.391 0.000 0.252 401 V C 2.593 178.671 176.094 -0.026 0.000 1.068 401 V CA 2.374 64.671 62.300 -0.005 0.000 1.070 401 V CB -1.217 30.606 31.823 0.001 0.000 0.664 401 V HN 0.618 nan 8.190 nan 0.000 0.461 402 S N -0.545 115.139 115.700 -0.028 0.000 2.419 402 S HA -0.206 3.430 4.470 -1.391 0.000 0.235 402 S C 1.602 176.160 174.600 -0.070 0.000 1.019 402 S CA 1.243 59.416 58.200 -0.045 0.000 0.982 402 S CB -0.396 62.779 63.200 -0.043 0.000 0.789 402 S HN 0.645 nan 8.310 nan 0.000 0.490 403 D N 1.238 121.589 120.400 -0.082 0.000 2.363 403 D HA 0.016 3.821 4.640 -1.391 0.000 0.226 403 D C -0.067 176.147 176.300 -0.143 0.000 1.020 403 D CA 0.201 54.129 54.000 -0.121 0.000 0.892 403 D CB -0.267 40.442 40.800 -0.152 0.000 0.900 403 D HN 0.211 nan 8.370 nan 0.000 0.531 404 N N 1.002 119.633 118.700 -0.115 0.000 2.699 404 N HA -0.181 3.724 4.740 -1.391 0.000 0.256 404 N C -0.551 174.852 175.510 -0.178 0.000 0.993 404 N CA 0.386 53.361 53.050 -0.125 0.000 0.759 404 N CB -1.002 37.410 38.487 -0.126 0.000 0.906 404 N HN 0.307 nan 8.380 nan 0.000 0.541 405 I N 0.679 121.139 120.570 -0.182 0.000 2.436 405 I HA 0.043 3.378 4.170 -1.391 0.000 0.289 405 I C 0.636 176.656 176.117 -0.161 0.000 1.083 405 I CA -0.087 61.068 61.300 -0.242 0.000 1.372 405 I CB 0.512 38.280 38.000 -0.387 0.000 1.408 405 I HN -0.114 nan 8.210 nan 0.000 0.516 406 V N 7.571 127.385 119.914 -0.166 0.000 2.275 406 V HA 0.210 3.495 4.120 -1.391 0.000 0.272 406 V C 0.434 176.576 176.094 0.079 0.000 1.028 406 V CA -0.685 61.580 62.300 -0.058 0.000 0.810 406 V CB 0.932 32.615 31.823 -0.232 0.000 1.043 406 V HN 0.691 nan 8.190 nan 0.000 0.453 407 Q N 3.392 123.243 119.800 0.084 0.000 2.293 407 Q HA 0.409 3.914 4.340 -1.391 0.000 0.263 407 Q C -1.003 175.115 176.000 0.196 0.000 1.002 407 Q CA -0.156 55.714 55.803 0.111 0.000 0.910 407 Q CB 1.362 30.146 28.738 0.077 0.000 1.185 407 Q HN 0.599 nan 8.270 nan 0.000 0.401 408 V N 5.374 125.414 119.914 0.210 0.000 2.304 408 V HA 0.106 3.392 4.120 -1.391 0.000 0.278 408 V C -0.049 176.127 176.094 0.136 0.000 1.018 408 V CA -0.540 61.887 62.300 0.211 0.000 0.814 408 V CB 1.308 33.280 31.823 0.247 0.000 1.021 408 V HN 0.867 nan 8.190 nan 0.000 0.440 409 D N 2.945 123.408 120.400 0.104 0.000 2.289 409 D HA 0.083 3.888 4.640 -1.391 0.000 0.207 409 D C 1.387 177.718 176.300 0.053 0.000 0.966 409 D CA 0.579 54.624 54.000 0.076 0.000 0.868 409 D CB 0.480 41.319 40.800 0.066 0.000 0.943 409 D HN 0.673 nan 8.370 nan 0.000 0.514 410 A N 1.123 123.966 122.820 0.038 0.000 2.584 410 A HA 0.066 3.551 4.320 -1.391 0.000 0.239 410 A C 0.395 177.979 177.584 -0.000 0.000 1.043 410 A CA 0.172 52.213 52.037 0.006 0.000 0.756 410 A CB 0.299 19.284 19.000 -0.024 0.000 0.963 410 A HN -0.012 nan 8.150 nan 0.000 0.511 411 V N 4.109 124.020 119.914 -0.006 0.000 2.334 411 V HA 0.213 3.498 4.120 -1.391 0.000 0.267 411 V C 0.631 176.701 176.094 -0.041 0.000 1.040 411 V CA 0.742 63.037 62.300 -0.008 0.000 0.866 411 V CB 0.397 32.222 31.823 0.003 0.000 1.019 411 V HN 1.142 nan 8.190 nan 0.000 0.468 412 D N 3.474 123.838 120.400 -0.060 0.000 2.751 412 D HA -0.196 3.609 4.640 -1.391 0.000 0.233 412 D C 0.279 176.462 176.300 -0.195 0.000 1.149 412 D CA 1.246 55.175 54.000 -0.119 0.000 0.682 412 D CB -0.345 40.403 40.800 -0.087 0.000 1.068 412 D HN 0.773 nan 8.370 nan 0.000 0.429 413 Q N -0.967 118.713 119.800 -0.200 0.000 2.351 413 Q HA 0.486 3.991 4.340 -1.391 0.000 0.273 413 Q C -0.333 175.485 176.000 -0.303 0.000 1.077 413 Q CA -0.972 54.708 55.803 -0.205 0.000 0.843 413 Q CB 0.907 29.599 28.738 -0.078 0.000 1.367 413 Q HN 0.251 nan 8.270 nan 0.000 0.449 414 W N 1.649 122.826 121.300 -0.204 0.000 2.253 414 W HA 0.186 4.009 4.660 -1.396 0.000 0.322 414 W C 0.326 176.520 176.519 -0.541 0.000 1.342 414 W CA -0.010 57.098 57.345 -0.396 0.000 1.218 414 W CB 0.860 30.082 29.460 -0.396 0.000 1.205 414 W HN 0.412 nan 8.180 nan 0.000 0.551 415 T N 0.707 114.961 114.554 -0.500 0.000 2.829 415 T HA 0.530 4.045 4.350 -1.391 0.000 0.280 415 T C -1.153 173.032 174.700 -0.859 0.000 0.999 415 T CA -0.875 60.861 62.100 -0.607 0.000 0.983 415 T CB 0.936 69.476 68.868 -0.547 0.000 0.968 415 T HN 0.197 nan 8.240 nan 0.000 0.446 416 Y N 0.739 120.642 120.300 -0.661 0.000 2.360 416 Y HA 0.629 4.345 4.550 -1.389 0.000 0.337 416 Y C -0.715 174.612 175.900 -0.954 0.000 1.039 416 Y CA -1.150 56.608 58.100 -0.571 0.000 1.109 416 Y CB 1.457 39.760 38.460 -0.262 0.000 1.201 416 Y HN 0.702 nan 8.280 nan 0.000 0.458 417 W N 4.609 125.910 121.300 0.001 0.000 2.781 417 W HA 0.556 4.384 4.660 -1.386 0.000 0.333 417 W C -1.518 174.992 176.519 -0.015 0.000 1.047 417 W CA -0.723 56.645 57.345 0.037 0.000 1.236 417 W CB 1.469 30.957 29.460 0.046 0.000 1.394 417 W HN 0.254 nan 8.180 nan 0.000 0.466 418 L N 5.144 126.485 121.223 0.197 0.000 2.262 418 L HA 0.621 4.126 4.340 -1.391 0.000 0.288 418 L C -0.978 176.033 176.870 0.235 0.000 1.035 418 L CA -0.616 54.281 54.840 0.095 0.000 0.820 418 L CB 0.160 42.208 42.059 -0.017 0.000 1.204 418 L HN 0.322 nan 8.230 nan 0.000 0.424 419 I N 4.607 125.340 120.570 0.272 0.000 2.321 419 I HA 0.334 3.669 4.170 -1.391 0.000 0.291 419 I C -0.003 176.293 176.117 0.299 0.000 0.998 419 I CA -0.029 61.444 61.300 0.288 0.000 1.227 419 I CB 1.278 39.458 38.000 0.300 0.000 1.368 419 I HN 0.568 nan 8.210 nan 0.000 0.466 420 E N 4.461 124.821 120.200 0.266 0.000 2.151 420 E HA 0.240 3.756 4.350 -1.391 0.000 0.275 420 E C -0.461 176.288 176.600 0.248 0.000 0.936 420 E CA -0.662 55.913 56.400 0.291 0.000 0.777 420 E CB 1.118 30.965 29.700 0.245 0.000 1.108 420 E HN 0.296 nan 8.360 nan 0.000 0.401 421 N N 3.521 122.382 118.700 0.269 0.000 3.034 421 N HA -0.012 3.893 4.740 -1.391 0.000 0.265 421 N C -0.815 174.841 175.510 0.242 0.000 1.166 421 N CA -0.035 53.169 53.050 0.256 0.000 1.081 421 N CB -0.184 38.463 38.487 0.267 0.000 1.378 421 N HN 0.448 nan 8.380 nan 0.000 0.520 422 D N 1.149 121.674 120.400 0.207 0.000 2.704 422 D HA -0.163 3.642 4.640 -1.391 0.000 0.232 422 D C -1.595 174.791 176.300 0.143 0.000 1.183 422 D CA 0.031 54.126 54.000 0.158 0.000 0.647 422 D CB 0.053 40.952 40.800 0.165 0.000 1.013 422 D HN 0.399 nan 8.370 nan 0.000 0.415 423 P HA -0.117 nan 4.420 nan 0.000 0.219 423 P C 1.039 178.397 177.300 0.096 0.000 1.146 423 P CA 0.924 64.114 63.100 0.150 0.000 0.808 423 P CB 0.286 32.095 31.700 0.183 0.000 0.779 424 E N -1.057 119.187 120.200 0.073 0.000 2.460 424 E HA 0.168 3.683 4.350 -1.391 0.000 0.200 424 E C 1.361 177.969 176.600 0.012 0.000 1.011 424 E CA 0.170 56.593 56.400 0.040 0.000 0.912 424 E CB -0.336 29.384 29.700 0.034 0.000 0.953 424 E HN 0.148 nan 8.360 nan 0.000 0.494 425 G N 2.138 110.938 108.800 0.001 0.000 2.621 425 G HA2 0.184 3.309 3.960 -1.391 0.000 0.271 425 G HA3 0.184 3.309 3.960 -1.391 0.000 0.271 425 G C -1.548 173.315 174.900 -0.062 0.000 1.236 425 G CA -0.824 44.239 45.100 -0.062 0.000 0.958 425 G HN -0.098 nan 8.290 nan 0.000 0.512 426 P HA 0.054 nan 4.420 nan 0.000 0.215 426 P C -0.155 177.196 177.300 0.085 0.000 1.153 426 P CA 1.143 64.199 63.100 -0.074 0.000 0.853 426 P CB -0.015 31.564 31.700 -0.202 0.000 0.788 427 F N -4.843 115.138 119.950 0.053 0.000 2.678 427 F HA 0.693 4.384 4.527 -1.394 0.000 0.308 427 F C -0.976 174.889 175.800 0.109 0.000 1.118 427 F CA -1.535 56.507 58.000 0.070 0.000 0.959 427 F CB 0.725 39.764 39.000 0.065 0.000 1.305 427 F HN -0.418 nan 8.300 nan 0.000 0.443 428 S N 2.344 118.273 115.700 0.383 0.000 2.513 428 S HA 0.885 4.521 4.470 -1.391 0.000 0.299 428 S C -1.294 173.468 174.600 0.271 0.000 1.087 428 S CA -0.571 57.822 58.200 0.322 0.000 1.012 428 S CB 1.058 64.397 63.200 0.233 0.000 1.044 428 S HN 0.742 nan 8.310 nan 0.000 0.485 429 L N 3.727 125.072 121.223 0.204 0.000 2.319 429 L HA 0.603 4.108 4.340 -1.391 0.000 0.267 429 L C -2.433 174.274 176.870 -0.271 0.000 1.011 429 L CA -2.747 52.076 54.840 -0.028 0.000 0.818 429 L CB 2.020 44.050 42.059 -0.049 0.000 1.316 429 L HN 0.444 nan 8.230 nan 0.000 0.432 430 P HA 0.137 nan 4.420 nan 0.000 0.271 430 P C -1.311 175.787 177.300 -0.336 0.000 1.216 430 P CA 0.065 63.047 63.100 -0.196 0.000 0.776 430 P CB 0.421 32.020 31.700 -0.168 0.000 0.881 431 H N 3.170 122.266 119.070 0.043 0.000 2.823 431 H HA 0.251 3.969 4.556 -1.397 0.000 0.332 431 H C -2.392 173.011 175.328 0.125 0.000 0.980 431 H CA -1.940 54.145 56.048 0.063 0.000 1.286 431 H CB 1.862 31.603 29.762 -0.035 0.000 1.541 431 H HN 0.284 nan 8.280 nan 0.000 0.521 432 P HA 0.104 nan 4.420 nan 0.000 0.280 432 P C -0.199 177.237 177.300 0.228 0.000 1.300 432 P CA -0.448 62.835 63.100 0.305 0.000 0.785 432 P CB 0.652 32.543 31.700 0.319 0.000 0.874 433 M N 3.682 123.393 119.600 0.185 0.000 2.233 433 M HA 0.294 3.939 4.480 -1.391 0.000 0.355 433 M C 0.158 176.618 176.300 0.265 0.000 1.191 433 M CA -0.337 54.991 55.300 0.045 0.000 1.101 433 M CB 0.094 32.657 32.600 -0.062 0.000 1.592 433 M HN 0.488 nan 8.290 nan 0.000 0.461 434 H N 2.184 121.254 119.070 -0.000 0.000 2.717 434 H HA 0.709 4.570 4.556 -1.160 0.000 0.366 434 H C -2.177 173.289 175.328 0.230 0.000 1.132 434 H CA -0.827 55.341 56.048 0.200 0.000 1.180 434 H CB 1.473 31.348 29.762 0.188 0.000 1.678 434 H HN 0.580 nan 8.280 nan 0.000 0.537 435 L N 5.253 126.331 121.223 -0.241 0.000 2.333 435 L HA 0.387 3.892 4.340 -1.391 0.000 0.280 435 L C -0.932 175.692 176.870 -0.410 0.000 1.004 435 L CA -0.229 54.547 54.840 -0.105 0.000 0.820 435 L CB 1.036 43.203 42.059 0.179 0.000 1.247 435 L HN 0.843 nan 8.230 nan 0.000 0.416 436 H N 3.550 122.422 119.070 -0.330 0.000 2.551 436 H HA 0.399 4.124 4.556 -1.384 0.000 0.358 436 H C 0.941 176.048 175.328 -0.369 0.000 1.151 436 H CA 0.009 55.981 56.048 -0.127 0.000 1.374 436 H CB 1.159 31.052 29.762 0.218 0.000 1.473 436 H HN 0.952 nan 8.280 nan 0.000 0.574 437 G N 1.208 109.696 108.800 -0.520 0.000 2.212 437 G HA2 -0.243 2.882 3.960 -1.391 0.000 0.266 437 G HA3 -0.243 2.882 3.960 -1.391 0.000 0.266 437 G C 0.081 174.128 174.900 -1.422 0.000 0.978 437 G CA 0.479 44.666 45.100 -1.522 0.000 0.632 437 G HN 0.805 nan 8.290 nan 0.000 0.537 438 H N -0.933 117.647 119.070 -0.816 0.000 2.948 438 H HA 0.413 4.132 4.556 -1.395 0.000 0.315 438 H C -1.617 173.288 175.328 -0.704 0.000 1.360 438 H CA -0.757 54.727 56.048 -0.940 0.000 1.125 438 H CB 1.352 30.688 29.762 -0.711 0.000 1.844 438 H HN 0.148 nan 8.280 nan 0.000 0.529 439 D N 1.740 121.889 120.400 -0.419 0.000 2.408 439 D HA 0.208 4.013 4.640 -1.391 0.000 0.243 439 D C -0.236 175.981 176.300 -0.139 0.000 1.075 439 D CA -0.291 53.543 54.000 -0.276 0.000 0.832 439 D CB 1.346 42.099 40.800 -0.079 0.000 1.162 439 D HN 0.170 nan 8.370 nan 0.000 0.515 440 F N 0.541 120.525 119.950 0.057 0.000 2.375 440 F HA 0.571 4.262 4.527 -1.393 0.000 0.317 440 F C -0.250 175.627 175.800 0.129 0.000 1.124 440 F CA -1.249 56.822 58.000 0.118 0.000 1.050 440 F CB 0.269 39.329 39.000 0.100 0.000 1.314 440 F HN 0.040 nan 8.300 nan 0.000 0.511 441 L N 1.775 123.274 121.223 0.460 0.000 2.307 441 L HA 0.465 3.970 4.340 -1.391 0.000 0.284 441 L C -0.745 176.274 176.870 0.248 0.000 1.023 441 L CA -1.253 53.744 54.840 0.262 0.000 0.810 441 L CB 1.794 43.874 42.059 0.035 0.000 1.231 441 L HN 0.447 nan 8.230 nan 0.000 0.423 442 V N 5.282 125.337 119.914 0.234 0.000 2.313 442 V HA 0.078 3.364 4.120 -1.391 0.000 0.252 442 V C 1.303 177.444 176.094 0.080 0.000 1.112 442 V CA -0.132 62.260 62.300 0.154 0.000 0.984 442 V CB 0.531 32.464 31.823 0.184 0.000 1.157 442 V HN 0.715 nan 8.190 nan 0.000 0.493 443 L N 3.337 124.585 121.223 0.043 0.000 2.201 443 L HA 0.275 3.781 4.340 -1.391 0.000 0.212 443 L C 1.187 178.095 176.870 0.064 0.000 1.105 443 L CA 1.169 56.025 54.840 0.025 0.000 0.775 443 L CB -0.258 41.793 42.059 -0.014 0.000 0.913 443 L HN 0.821 nan 8.230 nan 0.000 0.440 444 G N -0.143 108.711 108.800 0.089 0.000 2.339 444 G HA2 0.341 3.466 3.960 -1.391 0.000 0.302 444 G HA3 0.341 3.466 3.960 -1.391 0.000 0.302 444 G C -1.538 173.405 174.900 0.071 0.000 1.425 444 G CA -0.757 44.408 45.100 0.108 0.000 0.899 444 G HN 0.165 nan 8.290 nan 0.000 0.619 445 R N -1.570 118.806 120.500 -0.208 0.000 2.766 445 R HA 0.811 4.316 4.340 -1.391 0.000 0.270 445 R C 0.304 175.805 176.300 -1.333 0.000 1.035 445 R CA -0.206 55.455 56.100 -0.733 0.000 0.911 445 R CB 0.771 30.836 30.300 -0.392 0.000 1.243 445 R HN 1.288 nan 8.270 nan 0.000 0.460 446 S N 0.129 114.756 115.700 -1.787 0.000 2.589 446 S HA 0.265 3.900 4.470 -1.391 0.000 0.265 446 S C -2.197 171.857 174.600 -0.910 0.000 1.342 446 S CA -0.882 56.418 58.200 -1.500 0.000 1.005 446 S CB 0.047 62.403 63.200 -1.407 0.000 0.909 446 S HN 0.465 nan 8.310 nan 0.000 0.555 447 P HA 0.128 nan 4.420 nan 0.000 0.264 447 P C -0.872 176.199 177.300 -0.382 0.000 1.183 447 P CA 0.136 62.897 63.100 -0.565 0.000 0.763 447 P CB 0.134 31.528 31.700 -0.509 0.000 0.807 448 D N 2.164 122.438 120.400 -0.210 0.000 2.346 448 D HA 0.170 3.975 4.640 -1.391 0.000 0.260 448 D C 0.228 176.498 176.300 -0.051 0.000 1.252 448 D CA 0.384 54.307 54.000 -0.128 0.000 0.895 448 D CB 0.125 40.863 40.800 -0.103 0.000 1.097 448 D HN 0.051 nan 8.370 nan 0.000 0.489 449 V N 0.547 120.457 119.914 -0.007 0.000 3.102 449 V HA 0.678 3.963 4.120 -1.391 0.000 0.312 449 V C -2.731 173.376 176.094 0.021 0.000 1.135 449 V CA -2.630 59.699 62.300 0.048 0.000 1.022 449 V CB 1.582 33.496 31.823 0.152 0.000 1.056 449 V HN 0.128 nan 8.190 nan 0.000 0.436 450 P HA 0.198 nan 4.420 nan 0.000 0.262 450 P C 0.799 178.107 177.300 0.012 0.000 1.182 450 P CA 0.750 63.854 63.100 0.007 0.000 0.761 450 P CB 0.862 32.570 31.700 0.013 0.000 0.795 451 A N 4.059 126.875 122.820 -0.007 0.000 2.024 451 A HA -0.123 3.362 4.320 -1.391 0.000 0.220 451 A C 1.887 179.478 177.584 0.012 0.000 1.164 451 A CA 2.004 54.036 52.037 -0.008 0.000 0.643 451 A CB -1.012 17.966 19.000 -0.036 0.000 0.806 451 A HN 0.557 nan 8.150 nan 0.000 0.451 452 A N -0.309 122.519 122.820 0.015 0.000 2.303 452 A HA 0.250 3.735 4.320 -1.391 0.000 0.217 452 A C 2.102 179.701 177.584 0.024 0.000 1.205 452 A CA 1.083 53.130 52.037 0.018 0.000 0.875 452 A CB -0.567 18.440 19.000 0.012 0.000 0.910 452 A HN 0.871 nan 8.150 nan 0.000 0.501 453 S N -0.838 114.878 115.700 0.027 0.000 2.440 453 S HA -0.218 3.417 4.470 -1.391 0.000 0.238 453 S C 0.961 175.579 174.600 0.029 0.000 1.010 453 S CA 1.285 59.500 58.200 0.026 0.000 0.972 453 S CB -0.287 62.930 63.200 0.028 0.000 0.774 453 S HN 0.520 nan 8.310 nan 0.000 0.501 454 Q N -0.068 119.759 119.800 0.045 0.000 2.489 454 Q HA -0.163 3.342 4.340 -1.391 0.000 0.259 454 Q C -0.724 175.294 176.000 0.031 0.000 0.934 454 Q CA 0.979 56.816 55.803 0.057 0.000 1.131 454 Q CB -2.254 26.521 28.738 0.061 0.000 1.472 454 Q HN 0.868 nan 8.270 nan 0.000 0.560 455 Q N 0.794 120.602 119.800 0.013 0.000 2.327 455 Q HA 0.351 3.856 4.340 -1.391 0.000 0.254 455 Q C 0.355 176.297 176.000 -0.097 0.000 0.952 455 Q CA -0.069 55.686 55.803 -0.080 0.000 0.884 455 Q CB 0.904 29.586 28.738 -0.094 0.000 1.224 455 Q HN 0.035 nan 8.270 nan 0.000 0.422 456 R N 1.719 122.080 120.500 -0.230 0.000 2.787 456 R HA 0.655 4.160 4.340 -1.391 0.000 0.271 456 R C -0.791 175.289 176.300 -0.367 0.000 0.993 456 R CA -0.578 55.449 56.100 -0.121 0.000 0.993 456 R CB 0.780 31.070 30.300 -0.017 0.000 1.155 456 R HN 0.495 nan 8.270 nan 0.000 0.486 457 F N -0.973 119.075 119.950 0.164 0.000 2.631 457 F HA 0.522 4.214 4.527 -1.391 0.000 0.308 457 F C -0.573 175.446 175.800 0.364 0.000 1.097 457 F CA -0.967 57.181 58.000 0.246 0.000 0.952 457 F CB 2.285 41.445 39.000 0.266 0.000 1.307 457 F HN -0.018 nan 8.300 nan 0.000 0.450 458 V N 2.208 122.444 119.914 0.535 0.000 2.623 458 V HA 0.257 3.542 4.120 -1.391 0.000 0.304 458 V C -0.753 175.451 176.094 0.182 0.000 1.054 458 V CA -1.044 61.467 62.300 0.352 0.000 0.882 458 V CB 2.007 33.948 31.823 0.197 0.000 1.002 458 V HN 0.616 nan 8.190 nan 0.000 0.424 459 F N 4.619 124.368 119.950 -0.334 0.000 2.548 459 F HA 0.059 3.752 4.527 -1.391 0.000 0.403 459 F C 0.467 176.133 175.800 -0.223 0.000 1.004 459 F CA 0.933 58.531 58.000 -0.669 0.000 1.177 459 F CB 0.225 38.722 39.000 -0.839 0.000 0.974 459 F HN 0.606 nan 8.300 nan 0.000 0.541 460 D N 8.775 128.701 120.400 -0.790 0.000 2.473 460 D HA 0.259 4.064 4.640 -1.391 0.000 0.253 460 D C -2.133 173.784 176.300 -0.639 0.000 1.233 460 D CA -1.928 51.786 54.000 -0.475 0.000 0.908 460 D CB 2.044 42.733 40.800 -0.185 0.000 1.170 460 D HN 0.178 nan 8.370 nan 0.000 0.558 461 P HA -0.195 nan 4.420 nan 0.000 0.217 461 P C 1.200 178.390 177.300 -0.184 0.000 1.158 461 P CA 1.839 64.766 63.100 -0.287 0.000 0.887 461 P CB 0.239 31.894 31.700 -0.075 0.000 0.792 462 A N -1.029 121.709 122.820 -0.137 0.000 2.084 462 A HA -0.177 3.308 4.320 -1.391 0.000 0.221 462 A C 2.069 179.609 177.584 -0.074 0.000 1.161 462 A CA 2.479 54.467 52.037 -0.081 0.000 0.653 462 A CB -1.399 17.566 19.000 -0.059 0.000 0.802 462 A HN 0.283 nan 8.150 nan 0.000 0.457 463 V N -5.251 114.596 119.914 -0.111 0.000 3.371 463 V HA 0.154 3.439 4.120 -1.391 0.000 0.246 463 V C 1.203 177.258 176.094 -0.065 0.000 1.303 463 V CA 0.932 63.194 62.300 -0.063 0.000 1.156 463 V CB -0.121 31.688 31.823 -0.024 0.000 0.929 463 V HN 0.236 nan 8.190 nan 0.000 0.459 464 D N 0.974 121.266 120.400 -0.180 0.000 2.305 464 D HA 0.167 3.972 4.640 -1.391 0.000 0.206 464 D C 2.103 178.416 176.300 0.021 0.000 0.974 464 D CA 0.876 54.810 54.000 -0.110 0.000 0.871 464 D CB 0.388 40.951 40.800 -0.395 0.000 0.947 464 D HN 0.415 nan 8.370 nan 0.000 0.516 465 L N 1.005 122.223 121.223 -0.007 0.000 2.127 465 L HA -0.143 3.362 4.340 -1.391 0.000 0.211 465 L C 2.432 179.347 176.870 0.075 0.000 1.089 465 L CA 0.988 55.891 54.840 0.105 0.000 0.757 465 L CB -0.302 41.800 42.059 0.072 0.000 0.899 465 L HN -0.019 nan 8.230 nan 0.000 0.434 466 A N -0.176 122.669 122.820 0.042 0.000 2.067 466 A HA -0.092 3.394 4.320 -1.391 0.000 0.217 466 A C 2.290 179.905 177.584 0.052 0.000 1.156 466 A CA 0.811 52.870 52.037 0.036 0.000 0.683 466 A CB -0.265 18.746 19.000 0.019 0.000 0.808 466 A HN 0.331 nan 8.150 nan 0.000 0.455 467 R N -0.699 119.848 120.500 0.079 0.000 2.246 467 R HA 0.245 3.751 4.340 -1.391 0.000 0.199 467 R C -0.136 176.234 176.300 0.116 0.000 0.984 467 R CA -0.101 56.056 56.100 0.094 0.000 1.015 467 R CB -0.171 30.202 30.300 0.122 0.000 0.930 467 R HN 0.394 nan 8.270 nan 0.000 0.475 468 L N 1.259 122.562 121.223 0.135 0.000 2.417 468 L HA 0.161 3.666 4.340 -1.391 0.000 0.268 468 L C -0.126 176.780 176.870 0.060 0.000 1.158 468 L CA -0.357 54.552 54.840 0.115 0.000 0.819 468 L CB 0.448 42.573 42.059 0.111 0.000 1.112 468 L HN 0.001 nan 8.230 nan 0.000 0.458 469 N N 0.475 119.200 118.700 0.041 0.000 2.480 469 N HA 0.395 4.300 4.740 -1.391 0.000 0.289 469 N C -0.017 175.490 175.510 -0.005 0.000 1.073 469 N CA -0.382 52.680 53.050 0.019 0.000 0.885 469 N CB 1.895 40.397 38.487 0.024 0.000 1.421 469 N HN 0.609 nan 8.380 nan 0.000 0.503 470 G N 1.447 110.232 108.800 -0.025 0.000 3.575 470 G HA2 0.032 3.157 3.960 -1.391 0.000 0.273 470 G HA3 0.032 3.157 3.960 -1.391 0.000 0.273 470 G C -0.345 174.515 174.900 -0.066 0.000 1.053 470 G CA -0.248 44.811 45.100 -0.069 0.000 0.803 470 G HN 0.576 nan 8.290 nan 0.000 0.528 471 D N 1.430 121.812 120.400 -0.029 0.000 2.500 471 D HA 0.099 3.904 4.640 -1.391 0.000 0.219 471 D C 0.481 176.779 176.300 -0.003 0.000 1.137 471 D CA -0.476 53.515 54.000 -0.015 0.000 0.946 471 D CB -0.156 40.644 40.800 -0.001 0.000 1.022 471 D HN 0.087 nan 8.370 nan 0.000 0.518 472 N N 2.600 121.295 118.700 -0.009 0.000 2.696 472 N HA -0.129 3.776 4.740 -1.391 0.000 0.256 472 N C -2.601 172.924 175.510 0.026 0.000 1.031 472 N CA 0.161 53.219 53.050 0.014 0.000 0.730 472 N CB -0.305 38.200 38.487 0.030 0.000 0.894 472 N HN 0.277 nan 8.380 nan 0.000 0.544 473 P HA 0.282 nan 4.420 nan 0.000 0.276 473 P C -2.706 174.636 177.300 0.069 0.000 1.261 473 P CA -1.069 62.055 63.100 0.040 0.000 0.800 473 P CB 0.120 31.836 31.700 0.026 0.000 1.066 474 P HA 0.065 nan 4.420 nan 0.000 0.262 474 P C -0.192 177.187 177.300 0.131 0.000 1.182 474 P CA 0.633 63.800 63.100 0.112 0.000 0.761 474 P CB 0.454 32.233 31.700 0.131 0.000 0.795 475 R N 4.185 124.749 120.500 0.106 0.000 2.437 475 R HA 0.530 4.035 4.340 -1.391 0.000 0.310 475 R C 0.258 176.570 176.300 0.021 0.000 0.955 475 R CA -0.635 55.522 56.100 0.095 0.000 0.851 475 R CB 1.155 31.517 30.300 0.105 0.000 1.161 475 R HN 0.671 nan 8.270 nan 0.000 0.446 476 R N 1.197 121.636 120.500 -0.101 0.000 2.855 476 R HA 0.127 3.632 4.340 -1.391 0.000 0.274 476 R C -1.048 174.880 176.300 -0.620 0.000 0.997 476 R CA -0.519 55.452 56.100 -0.214 0.000 0.856 476 R CB 0.057 30.294 30.300 -0.104 0.000 1.378 476 R HN 0.568 nan 8.270 nan 0.000 0.462 477 D N -0.830 119.317 120.400 -0.422 0.000 2.379 477 D HA 0.143 3.948 4.640 -1.391 0.000 0.208 477 D C -0.468 175.767 176.300 -0.108 0.000 1.065 477 D CA 0.215 53.937 54.000 -0.463 0.000 0.848 477 D CB 0.766 41.542 40.800 -0.040 0.000 0.949 477 D HN 0.437 nan 8.370 nan 0.000 0.509 478 T N -0.649 113.962 114.554 0.095 0.000 2.921 478 T HA 0.596 4.111 4.350 -1.391 0.000 0.297 478 T C -1.101 173.870 174.700 0.452 0.000 1.013 478 T CA -0.673 61.687 62.100 0.433 0.000 0.990 478 T CB 2.187 71.236 68.868 0.303 0.000 1.023 478 T HN -0.028 nan 8.240 nan 0.000 0.447 479 T N 2.442 117.324 114.554 0.547 0.000 2.853 479 T HA 0.555 4.070 4.350 -1.391 0.000 0.311 479 T C -1.201 173.671 174.700 0.287 0.000 1.307 479 T CA -0.799 61.535 62.100 0.389 0.000 1.019 479 T CB 1.014 70.131 68.868 0.415 0.000 1.264 479 T HN 0.351 nan 8.240 nan 0.000 0.497 480 M N 3.022 122.764 119.600 0.237 0.000 2.211 480 M HA 0.412 4.057 4.480 -1.391 0.000 0.356 480 M C -0.443 175.924 176.300 0.112 0.000 1.216 480 M CA -0.851 54.563 55.300 0.190 0.000 1.134 480 M CB 0.599 33.297 32.600 0.164 0.000 1.564 480 M HN 0.523 nan 8.290 nan 0.000 0.463 481 L N 6.940 128.234 121.223 0.119 0.000 2.255 481 L HA 0.488 3.993 4.340 -1.391 0.000 0.289 481 L C -2.365 174.539 176.870 0.057 0.000 1.046 481 L CA -1.498 53.401 54.840 0.098 0.000 0.816 481 L CB 0.854 43.007 42.059 0.157 0.000 1.197 481 L HN 0.385 nan 8.230 nan 0.000 0.427 482 P HA 0.069 nan 4.420 nan 0.000 0.264 482 P C -0.847 176.475 177.300 0.037 0.000 1.183 482 P CA 0.023 63.101 63.100 -0.036 0.000 0.763 482 P CB 0.479 32.094 31.700 -0.140 0.000 0.807 483 A N 3.636 126.478 122.820 0.036 0.000 2.520 483 A HA 0.415 3.900 4.320 -1.391 0.000 0.245 483 A C 1.659 179.326 177.584 0.139 0.000 1.072 483 A CA 0.621 52.706 52.037 0.079 0.000 0.761 483 A CB -1.302 17.729 19.000 0.051 0.000 1.004 483 A HN 0.878 nan 8.150 nan 0.000 0.499 484 G N 1.581 110.488 108.800 0.177 0.000 2.196 484 G HA2 -0.113 3.012 3.960 -1.391 0.000 0.268 484 G HA3 -0.113 3.012 3.960 -1.391 0.000 0.268 484 G C 0.964 176.021 174.900 0.261 0.000 0.975 484 G CA 1.175 46.395 45.100 0.199 0.000 0.648 484 G HN 1.783 nan 8.290 nan 0.000 0.538 485 G N -0.767 108.178 108.800 0.241 0.000 2.945 485 G HA2 0.702 3.827 3.960 -1.391 0.000 0.156 485 G HA3 0.702 3.827 3.960 -1.391 0.000 0.156 485 G C 0.147 175.218 174.900 0.285 0.000 1.375 485 G CA -0.221 45.022 45.100 0.238 0.000 1.039 485 G HN 1.099 nan 8.290 nan 0.000 0.586 486 W N -2.314 119.084 121.300 0.163 0.000 3.075 486 W HA 0.727 4.552 4.660 -1.392 0.000 0.334 486 W C -2.522 174.057 176.519 0.100 0.000 1.243 486 W CA -1.130 56.305 57.345 0.150 0.000 1.170 486 W CB 1.251 30.829 29.460 0.197 0.000 1.452 486 W HN 0.565 nan 8.180 nan 0.000 0.572 487 L N 2.908 124.428 121.223 0.496 0.000 2.464 487 L HA 0.636 4.141 4.340 -1.391 0.000 0.266 487 L C -1.963 175.108 176.870 0.335 0.000 0.965 487 L CA -0.698 54.324 54.840 0.304 0.000 0.833 487 L CB 1.965 44.107 42.059 0.137 0.000 1.296 487 L HN 0.403 nan 8.230 nan 0.000 0.405 488 L N 5.680 127.064 121.223 0.268 0.000 2.294 488 L HA 0.675 4.180 4.340 -1.391 0.000 0.283 488 L C -1.370 175.489 176.870 -0.019 0.000 1.015 488 L CA -0.002 54.852 54.840 0.024 0.000 0.831 488 L CB 0.961 42.927 42.059 -0.155 0.000 1.217 488 L HN 0.619 nan 8.230 nan 0.000 0.420 489 L N 4.072 125.280 121.223 -0.025 0.000 2.286 489 L HA 1.012 4.517 4.340 -1.391 0.000 0.265 489 L C -0.362 176.512 176.870 0.007 0.000 1.012 489 L CA -0.943 53.876 54.840 -0.036 0.000 0.818 489 L CB 1.882 43.828 42.059 -0.190 0.000 1.337 489 L HN 0.686 nan 8.230 nan 0.000 0.438 490 A N 1.353 124.203 122.820 0.051 0.000 2.517 490 A HA 0.801 4.286 4.320 -1.391 0.000 0.297 490 A C -1.456 176.290 177.584 0.271 0.000 1.050 490 A CA -0.361 51.648 52.037 -0.047 0.000 0.694 490 A CB 1.460 20.242 19.000 -0.364 0.000 1.277 490 A HN 0.594 nan 8.150 nan 0.000 0.400 491 F N -0.145 119.860 119.950 0.092 0.000 2.608 491 F HA 0.793 4.493 4.527 -1.379 0.000 0.309 491 F C -0.583 175.074 175.800 -0.238 0.000 1.103 491 F CA -0.887 57.108 58.000 -0.008 0.000 0.954 491 F CB 1.524 40.341 39.000 -0.305 0.000 1.267 491 F HN 0.643 nan 8.300 nan 0.000 0.444 492 R N 1.716 121.967 120.500 -0.415 0.000 2.298 492 R HA 0.315 3.820 4.340 -1.391 0.000 0.310 492 R C 0.081 176.183 176.300 -0.330 0.000 1.068 492 R CA 0.015 55.685 56.100 -0.717 0.000 0.957 492 R CB 1.037 30.606 30.300 -1.218 0.000 1.003 492 R HN 0.914 nan 8.270 nan 0.000 0.454 493 T N 0.905 115.288 114.554 -0.284 0.000 4.578 493 T HA 0.022 3.537 4.350 -1.391 0.000 0.236 493 T C 0.045 174.758 174.700 0.021 0.000 1.038 493 T CA -0.488 61.580 62.100 -0.052 0.000 1.067 493 T CB -0.388 68.445 68.868 -0.059 0.000 1.390 493 T HN 0.646 nan 8.240 nan 0.000 1.076 494 D N 0.083 120.536 120.400 0.087 0.000 2.463 494 D HA 0.143 3.948 4.640 -1.391 0.000 0.224 494 D C 0.120 176.466 176.300 0.077 0.000 1.174 494 D CA -0.653 53.368 54.000 0.035 0.000 0.829 494 D CB 0.047 40.821 40.800 -0.043 0.000 0.993 494 D HN 0.439 nan 8.370 nan 0.000 0.497 495 N N 0.490 119.296 118.700 0.176 0.000 2.827 495 N HA 0.236 4.141 4.740 -1.391 0.000 0.240 495 N C -3.060 172.709 175.510 0.432 0.000 1.352 495 N CA -1.337 51.821 53.050 0.181 0.000 0.760 495 N CB 1.290 39.699 38.487 -0.130 0.000 1.426 495 N HN -0.227 nan 8.380 nan 0.000 0.561 496 P HA 0.323 nan 4.420 nan 0.000 0.264 496 P C 0.154 177.584 177.300 0.216 0.000 1.183 496 P CA 0.601 63.853 63.100 0.253 0.000 0.763 496 P CB 0.670 32.452 31.700 0.137 0.000 0.807 497 G N 1.291 110.106 108.800 0.024 0.000 2.356 497 G HA2 0.434 3.559 3.960 -1.391 0.000 0.300 497 G HA3 0.434 3.559 3.960 -1.391 0.000 0.300 497 G C -1.834 172.651 174.900 -0.693 0.000 1.331 497 G CA -0.176 44.648 45.100 -0.459 0.000 0.905 497 G HN 0.432 nan 8.290 nan 0.000 0.587 498 A N -0.390 121.941 122.820 -0.815 0.000 2.253 498 A HA 0.703 4.188 4.320 -1.391 0.000 0.316 498 A C -0.975 176.236 177.584 -0.622 0.000 1.327 498 A CA -0.316 51.407 52.037 -0.523 0.000 0.917 498 A CB -0.086 18.717 19.000 -0.329 0.000 1.162 498 A HN 0.769 nan 8.150 nan 0.000 0.535 499 W N 3.077 124.400 121.300 0.038 0.000 2.532 499 W HA 0.549 4.370 4.660 -1.397 0.000 0.321 499 W C -0.292 176.197 176.519 -0.050 0.000 1.037 499 W CA -0.699 56.663 57.345 0.028 0.000 1.220 499 W CB 1.267 30.773 29.460 0.078 0.000 1.361 499 W HN 0.435 nan 8.180 nan 0.000 0.468 500 L N 3.390 124.594 121.223 -0.033 0.000 2.417 500 L HA 0.355 3.860 4.340 -1.391 0.000 0.268 500 L C -0.473 176.350 176.870 -0.079 0.000 1.158 500 L CA -0.429 54.285 54.840 -0.209 0.000 0.819 500 L CB 0.395 42.162 42.059 -0.487 0.000 1.112 500 L HN 0.346 nan 8.230 nan 0.000 0.458 501 F N 3.436 123.269 119.950 -0.195 0.000 2.716 501 F HA 0.402 4.093 4.527 -1.393 0.000 0.354 501 F C -0.342 175.393 175.800 -0.108 0.000 1.168 501 F CA -0.569 57.334 58.000 -0.162 0.000 1.045 501 F CB 0.329 39.278 39.000 -0.085 0.000 1.311 501 F HN 0.557 nan 8.300 nan 0.000 0.477 502 H N 1.853 120.698 119.070 -0.374 0.000 2.941 502 H HA 0.611 4.319 4.556 -1.413 0.000 0.344 502 H C -1.107 174.073 175.328 -0.247 0.000 1.235 502 H CA -1.466 54.391 56.048 -0.318 0.000 1.149 502 H CB 1.027 30.699 29.762 -0.151 0.000 1.885 502 H HN 0.540 nan 8.280 nan 0.000 0.558 503 C N 1.545 120.852 119.300 0.011 0.000 2.452 503 C HA 0.183 3.808 4.460 -1.391 0.000 0.379 503 C C 1.245 176.390 174.990 0.258 0.000 1.275 503 C CA -0.259 58.793 59.018 0.057 0.000 2.056 503 C CB -0.686 27.040 27.740 -0.023 0.000 2.506 503 C HN 1.003 nan 8.230 nan 0.000 0.560 504 H N 3.704 122.890 119.070 0.193 0.000 2.547 504 H HA 0.266 4.162 4.556 -1.101 0.000 0.266 504 H C 0.505 175.830 175.328 -0.005 0.000 0.988 504 H CA 0.512 56.673 56.048 0.188 0.000 1.147 504 H CB 0.068 29.922 29.762 0.154 0.000 1.365 504 H HN 0.647 nan 8.280 nan 0.000 0.589 505 I N 1.268 121.850 120.570 0.021 0.000 2.436 505 I HA -0.027 3.308 4.170 -1.391 0.000 0.289 505 I C 1.641 177.530 176.117 -0.380 0.000 1.083 505 I CA -0.211 60.926 61.300 -0.272 0.000 1.372 505 I CB 1.275 38.989 38.000 -0.478 0.000 1.408 505 I HN 0.118 nan 8.210 nan 0.000 0.516 506 A N 7.431 129.893 122.820 -0.596 0.000 1.884 506 A HA -0.207 3.278 4.320 -1.391 0.000 0.219 506 A C 1.882 179.314 177.584 -0.253 0.000 1.197 506 A CA 1.749 53.442 52.037 -0.573 0.000 0.637 506 A CB -0.786 17.602 19.000 -1.021 0.000 0.827 506 A HN 0.925 nan 8.150 nan 0.000 0.450 507 W N -1.145 120.077 121.300 -0.129 0.000 2.342 507 W HA -0.202 3.645 4.660 -1.355 0.000 0.297 507 W C 2.315 178.909 176.519 0.126 0.000 1.213 507 W CA 0.929 58.258 57.345 -0.026 0.000 1.251 507 W CB -0.558 28.873 29.460 -0.048 0.000 1.136 507 W HN 0.568 nan 8.180 nan 0.000 0.526 508 H N -0.834 118.308 119.070 0.120 0.000 2.317 508 H HA -0.130 3.592 4.556 -1.389 0.000 0.304 508 H C 2.431 177.727 175.328 -0.053 0.000 1.067 508 H CA 1.121 57.108 56.048 -0.101 0.000 1.352 508 H CB -0.575 28.928 29.762 -0.433 0.000 1.398 508 H HN -0.051 nan 8.280 nan 0.000 0.510 509 V N 0.320 120.265 119.914 0.053 0.000 2.392 509 V HA -0.278 3.007 4.120 -1.391 0.000 0.249 509 V C 2.545 178.653 176.094 0.023 0.000 1.059 509 V CA 2.145 64.436 62.300 -0.016 0.000 1.051 509 V CB -0.305 31.435 31.823 -0.139 0.000 0.658 509 V HN 0.382 nan 8.190 nan 0.000 0.455 510 S N 0.129 115.872 115.700 0.072 0.000 2.370 510 S HA -0.113 3.522 4.470 -1.391 0.000 0.226 510 S C 1.904 176.586 174.600 0.137 0.000 1.033 510 S CA 1.727 59.988 58.200 0.101 0.000 1.011 510 S CB -0.715 62.587 63.200 0.170 0.000 0.852 510 S HN 0.776 nan 8.310 nan 0.000 0.457 511 G N -0.983 107.961 108.800 0.240 0.000 2.679 511 G HA2 0.359 3.484 3.960 -1.391 0.000 0.212 511 G HA3 0.359 3.484 3.960 -1.391 0.000 0.212 511 G C 0.980 176.025 174.900 0.242 0.000 1.137 511 G CA 0.519 45.800 45.100 0.301 0.000 0.787 511 G HN 1.200 nan 8.290 nan 0.000 0.534 512 G N -0.787 108.108 108.800 0.160 0.000 2.205 512 G HA2 -0.205 2.920 3.960 -1.391 0.000 0.180 512 G HA3 -0.205 2.920 3.960 -1.391 0.000 0.180 512 G C 0.355 175.301 174.900 0.077 0.000 1.004 512 G CA -0.089 45.069 45.100 0.097 0.000 0.670 512 G HN 0.438 nan 8.290 nan 0.000 0.496 513 L N 2.492 123.758 121.223 0.072 0.000 2.505 513 L HA 0.587 4.092 4.340 -1.391 0.000 0.279 513 L C 0.369 177.196 176.870 -0.070 0.000 1.211 513 L CA 0.739 55.556 54.840 -0.037 0.000 1.059 513 L CB 0.239 42.154 42.059 -0.240 0.000 1.340 513 L HN 0.329 nan 8.230 nan 0.000 0.447 514 S N 2.564 118.223 115.700 -0.069 0.000 2.622 514 S HA 0.600 4.235 4.470 -1.391 0.000 0.275 514 S C -1.064 173.465 174.600 -0.119 0.000 1.112 514 S CA -0.309 57.839 58.200 -0.087 0.000 0.837 514 S CB 1.314 64.480 63.200 -0.057 0.000 1.082 514 S HN 0.359 nan 8.310 nan 0.000 0.456 515 V N 0.374 120.189 119.914 -0.165 0.000 3.141 515 V HA 0.879 4.164 4.120 -1.391 0.000 0.312 515 V C -1.494 174.422 176.094 -0.298 0.000 1.157 515 V CA -0.733 61.414 62.300 -0.255 0.000 1.041 515 V CB 2.023 33.615 31.823 -0.385 0.000 1.071 515 V HN 0.861 nan 8.190 nan 0.000 0.441 516 D N 0.958 121.158 120.400 -0.333 0.000 2.440 516 D HA 0.416 4.221 4.640 -1.391 0.000 0.252 516 D C -1.168 174.981 176.300 -0.251 0.000 1.180 516 D CA -0.436 53.409 54.000 -0.258 0.000 0.894 516 D CB 0.820 41.488 40.800 -0.220 0.000 1.111 516 D HN 0.394 nan 8.370 nan 0.000 0.544 517 F N 3.332 123.235 119.950 -0.079 0.000 2.487 517 F HA 0.162 3.849 4.527 -1.399 0.000 0.364 517 F C 0.656 176.444 175.800 -0.020 0.000 1.126 517 F CA -0.558 57.413 58.000 -0.048 0.000 1.135 517 F CB 0.480 39.487 39.000 0.011 0.000 1.127 517 F HN 0.281 nan 8.300 nan 0.000 0.559 518 L N 5.063 126.344 121.223 0.097 0.000 2.356 518 L HA 0.220 3.725 4.340 -1.391 0.000 0.282 518 L C 0.180 177.116 176.870 0.109 0.000 1.132 518 L CA -0.048 54.787 54.840 -0.008 0.000 0.923 518 L CB -0.012 41.953 42.059 -0.157 0.000 1.278 518 L HN 0.531 nan 8.230 nan 0.000 0.436 519 E N 4.869 125.176 120.200 0.178 0.000 2.152 519 E HA 0.245 3.760 4.350 -1.391 0.000 0.285 519 E C -0.159 176.541 176.600 0.167 0.000 1.043 519 E CA -0.503 56.044 56.400 0.246 0.000 0.839 519 E CB 0.299 30.273 29.700 0.457 0.000 1.069 519 E HN 0.518 nan 8.360 nan 0.000 0.399 520 R N 3.580 124.160 120.500 0.133 0.000 3.188 520 R HA -0.138 3.367 4.340 -1.391 0.000 0.247 520 R C -1.824 174.522 176.300 0.076 0.000 0.918 520 R CA 0.272 56.431 56.100 0.098 0.000 0.629 520 R CB -0.998 29.364 30.300 0.103 0.000 1.087 520 R HN 0.619 nan 8.270 nan 0.000 0.462 521 P HA -0.285 nan 4.420 nan 0.000 0.216 521 P C 1.185 178.517 177.300 0.053 0.000 1.150 521 P CA 2.141 65.273 63.100 0.052 0.000 0.843 521 P CB 0.114 31.857 31.700 0.072 0.000 0.787 522 A N 0.246 123.100 122.820 0.057 0.000 1.972 522 A HA -0.166 3.319 4.320 -1.391 0.000 0.219 522 A C 1.964 179.572 177.584 0.040 0.000 1.169 522 A CA 1.859 53.925 52.037 0.048 0.000 0.635 522 A CB -1.037 17.991 19.000 0.046 0.000 0.810 522 A HN 0.103 nan 8.150 nan 0.000 0.446 523 D N -0.705 119.722 120.400 0.044 0.000 2.289 523 D HA -0.031 3.774 4.640 -1.391 0.000 0.207 523 D C 1.769 178.092 176.300 0.038 0.000 0.966 523 D CA 0.516 54.541 54.000 0.042 0.000 0.868 523 D CB -0.158 40.672 40.800 0.051 0.000 0.943 523 D HN 0.351 nan 8.370 nan 0.000 0.514 524 L N 1.490 122.733 121.223 0.034 0.000 1.989 524 L HA -0.138 3.367 4.340 -1.391 0.000 0.211 524 L C 2.339 179.209 176.870 0.000 0.000 1.071 524 L CA 1.726 56.575 54.840 0.015 0.000 0.749 524 L CB -0.425 41.628 42.059 -0.009 0.000 0.890 524 L HN -0.171 nan 8.230 nan 0.000 0.431 525 R N -0.747 119.753 120.500 0.001 0.000 2.083 525 R HA -0.208 3.297 4.340 -1.391 0.000 0.237 525 R C 2.208 178.510 176.300 0.002 0.000 1.137 525 R CA 1.980 58.076 56.100 -0.006 0.000 0.951 525 R CB -0.267 30.035 30.300 0.003 0.000 0.851 525 R HN 0.611 nan 8.270 nan 0.000 0.434 526 Q N -0.408 119.400 119.800 0.013 0.000 2.364 526 Q HA -0.141 3.364 4.340 -1.391 0.000 0.209 526 Q C 1.324 177.336 176.000 0.020 0.000 0.977 526 Q CA 1.171 56.984 55.803 0.017 0.000 0.885 526 Q CB 0.054 28.805 28.738 0.021 0.000 0.941 526 Q HN 0.357 nan 8.270 nan 0.000 0.464 527 R N 0.003 120.516 120.500 0.021 0.000 2.397 527 R HA 0.275 3.780 4.340 -1.391 0.000 0.241 527 R C -0.025 176.292 176.300 0.028 0.000 0.914 527 R CA -0.095 56.023 56.100 0.030 0.000 1.071 527 R CB 0.663 30.989 30.300 0.044 0.000 1.116 527 R HN 0.145 nan 8.270 nan 0.000 0.524 528 I N 2.605 123.180 120.570 0.010 0.000 2.304 528 I HA 0.063 3.399 4.170 -1.391 0.000 0.291 528 I C 0.633 176.757 176.117 0.012 0.000 1.018 528 I CA -0.415 60.886 61.300 0.001 0.000 1.260 528 I CB 1.334 39.307 38.000 -0.045 0.000 1.390 528 I HN 0.094 nan 8.210 nan 0.000 0.475 529 S N 5.391 121.110 115.700 0.031 0.000 2.584 529 S HA 0.077 3.712 4.470 -1.391 0.000 0.270 529 S C 0.941 175.559 174.600 0.029 0.000 1.346 529 S CA -0.591 57.629 58.200 0.034 0.000 1.018 529 S CB 1.268 64.496 63.200 0.047 0.000 0.899 529 S HN 0.566 nan 8.310 nan 0.000 0.542 530 Q N 1.110 120.927 119.800 0.028 0.000 2.181 530 Q HA -0.156 3.349 4.340 -1.391 0.000 0.205 530 Q C 1.960 177.982 176.000 0.037 0.000 0.980 530 Q CA 1.880 57.700 55.803 0.028 0.000 0.862 530 Q CB -0.398 28.355 28.738 0.024 0.000 0.905 530 Q HN 0.880 nan 8.270 nan 0.000 0.429 531 E N 0.307 120.532 120.200 0.041 0.000 2.047 531 E HA -0.153 3.363 4.350 -1.391 0.000 0.191 531 E C 1.668 178.304 176.600 0.060 0.000 0.987 531 E CA 1.010 57.439 56.400 0.048 0.000 0.799 531 E CB 0.056 29.786 29.700 0.050 0.000 0.752 531 E HN 0.279 nan 8.360 nan 0.000 0.449 532 D N 0.443 120.884 120.400 0.069 0.000 2.144 532 D HA -0.173 3.633 4.640 -1.391 0.000 0.199 532 D C 1.827 178.166 176.300 0.065 0.000 0.984 532 D CA 0.895 54.931 54.000 0.059 0.000 0.834 532 D CB -0.124 40.714 40.800 0.063 0.000 0.955 532 D HN 0.237 nan 8.370 nan 0.000 0.465 533 E N 0.702 120.930 120.200 0.048 0.000 2.017 533 E HA -0.189 3.326 4.350 -1.391 0.000 0.193 533 E C 1.408 178.091 176.600 0.137 0.000 0.997 533 E CA 1.351 57.788 56.400 0.061 0.000 0.804 533 E CB 0.155 29.868 29.700 0.022 0.000 0.757 533 E HN 0.048 nan 8.360 nan 0.000 0.448 534 D N 0.509 120.963 120.400 0.089 0.000 2.116 534 D HA -0.191 3.615 4.640 -1.391 0.000 0.193 534 D C 1.699 178.048 176.300 0.083 0.000 0.998 534 D CA 1.545 55.593 54.000 0.080 0.000 0.836 534 D CB -0.560 40.270 40.800 0.050 0.000 0.951 534 D HN 0.248 nan 8.370 nan 0.000 0.449 535 D N -0.897 119.545 120.400 0.070 0.000 2.218 535 D HA -0.128 3.677 4.640 -1.391 0.000 0.204 535 D C 1.747 178.074 176.300 0.045 0.000 0.976 535 D CA 0.263 54.285 54.000 0.037 0.000 0.853 535 D CB -0.184 40.621 40.800 0.010 0.000 0.939 535 D HN 0.116 nan 8.370 nan 0.000 0.481 536 F N 1.015 120.938 119.950 -0.045 0.000 2.102 536 F HA -0.161 3.529 4.527 -1.395 0.000 0.298 536 F C 1.924 177.719 175.800 -0.008 0.000 1.105 536 F CA 1.276 59.251 58.000 -0.042 0.000 1.239 536 F CB -0.271 38.706 39.000 -0.038 0.000 0.991 536 F HN -0.078 nan 8.300 nan 0.000 0.474 537 N N 0.604 119.392 118.700 0.147 0.000 2.166 537 N HA -0.183 3.723 4.740 -1.391 0.000 0.186 537 N C 2.076 177.569 175.510 -0.029 0.000 1.019 537 N CA 1.084 54.164 53.050 0.049 0.000 0.856 537 N CB -0.612 37.949 38.487 0.122 0.000 0.993 537 N HN 0.391 nan 8.380 nan 0.000 0.426 538 R N 1.201 121.694 120.500 -0.011 0.000 2.070 538 R HA -0.072 3.434 4.340 -1.391 0.000 0.232 538 R C 1.889 178.168 176.300 -0.035 0.000 1.138 538 R CA 1.385 57.477 56.100 -0.013 0.000 0.936 538 R CB -0.447 29.851 30.300 -0.004 0.000 0.839 538 R HN -0.034 nan 8.270 nan 0.000 0.429 539 V N 0.509 120.376 119.914 -0.078 0.000 2.392 539 V HA -0.312 2.974 4.120 -1.391 0.000 0.249 539 V C 2.581 178.643 176.094 -0.054 0.000 1.059 539 V CA 1.700 63.955 62.300 -0.075 0.000 1.051 539 V CB -0.514 31.229 31.823 -0.133 0.000 0.658 539 V HN 0.545 nan 8.190 nan 0.000 0.455 540 c N -0.233 118.263 118.600 -0.173 0.000 2.440 540 c HA -0.116 3.619 4.570 -1.391 0.000 0.278 540 c C 2.505 176.620 174.090 0.042 0.000 1.295 540 c CA 0.725 56.988 56.329 -0.109 0.000 1.738 540 c CB -0.967 41.356 42.510 -0.312 0.000 1.987 540 c HN 0.601 nan 8.230 nan 0.000 0.492 541 D N 0.551 120.960 120.400 0.015 0.000 2.117 541 D HA -0.107 3.698 4.640 -1.391 0.000 0.198 541 D C 2.098 178.440 176.300 0.071 0.000 0.982 541 D CA 1.197 55.222 54.000 0.042 0.000 0.828 541 D CB -0.399 40.417 40.800 0.026 0.000 0.967 541 D HN 0.602 nan 8.370 nan 0.000 0.464 542 E N -0.085 120.165 120.200 0.083 0.000 2.106 542 E HA -0.133 3.382 4.350 -1.391 0.000 0.192 542 E C 1.978 178.687 176.600 0.181 0.000 0.984 542 E CA 0.402 56.866 56.400 0.107 0.000 0.806 542 E CB -0.086 29.667 29.700 0.088 0.000 0.750 542 E HN 0.421 nan 8.360 nan 0.000 0.458 543 W N 1.818 123.152 121.300 0.056 0.000 2.381 543 W HA -0.133 3.697 4.660 -1.383 0.000 0.301 543 W C 1.742 178.382 176.519 0.201 0.000 1.205 543 W CA 1.070 58.493 57.345 0.129 0.000 1.285 543 W CB -0.049 29.435 29.460 0.039 0.000 1.133 543 W HN -0.030 nan 8.180 nan 0.000 0.521 544 R N 0.181 120.725 120.500 0.073 0.000 2.115 544 R HA -0.112 3.393 4.340 -1.391 0.000 0.230 544 R C 2.416 178.704 176.300 -0.020 0.000 1.111 544 R CA 1.381 57.488 56.100 0.011 0.000 0.976 544 R CB -0.583 29.765 30.300 0.080 0.000 0.870 544 R HN 0.134 nan 8.270 nan 0.000 0.445 545 A N 0.029 122.852 122.820 0.005 0.000 1.968 545 A HA -0.171 3.314 4.320 -1.391 0.000 0.217 545 A C 1.850 179.413 177.584 -0.035 0.000 1.169 545 A CA 0.818 52.855 52.037 -0.001 0.000 0.638 545 A CB -0.419 18.600 19.000 0.031 0.000 0.812 545 A HN 0.416 nan 8.150 nan 0.000 0.446 546 Y N -1.256 118.952 120.300 -0.153 0.000 2.176 546 Y HA -0.162 3.553 4.550 -1.392 0.000 0.291 546 Y C 2.241 177.994 175.900 -0.244 0.000 1.122 546 Y CA 1.262 59.242 58.100 -0.200 0.000 1.128 546 Y CB -0.772 37.553 38.460 -0.225 0.000 1.005 546 Y HN 0.490 nan 8.280 nan 0.000 0.509 547 W N 2.255 122.969 121.300 -0.977 0.000 2.262 547 W HA -0.302 3.525 4.660 -1.389 0.000 0.331 547 W C -0.881 175.279 176.519 -0.597 0.000 1.315 547 W CA 2.354 59.175 57.345 -0.874 0.000 1.302 547 W CB -1.578 27.524 29.460 -0.596 0.000 1.128 547 W HN 0.186 nan 8.180 nan 0.000 0.482 548 P HA -0.180 nan 4.420 nan 0.000 0.220 548 P C 1.438 178.432 177.300 -0.510 0.000 1.144 548 P CA 3.075 65.906 63.100 -0.448 0.000 0.800 548 P CB -0.539 31.027 31.700 -0.223 0.000 0.772 549 T N -6.484 107.700 114.554 -0.617 0.000 3.060 549 T HA 0.103 3.618 4.350 -1.391 0.000 0.249 549 T C 0.758 175.108 174.700 -0.583 0.000 1.079 549 T CA -0.367 61.429 62.100 -0.507 0.000 1.013 549 T CB -0.915 67.734 68.868 -0.366 0.000 0.975 549 T HN -0.105 nan 8.240 nan 0.000 0.518 550 N N 3.635 121.827 118.700 -0.847 0.000 2.447 550 N HA 0.155 4.060 4.740 -1.391 0.000 0.263 550 N C -1.149 174.069 175.510 -0.486 0.000 1.226 550 N CA -1.524 51.155 53.050 -0.618 0.000 0.906 550 N CB 1.129 39.209 38.487 -0.678 0.000 1.060 550 N HN 0.114 nan 8.380 nan 0.000 0.468 551 P HA -0.030 nan 4.420 nan 0.000 0.245 551 P C -0.851 176.224 177.300 -0.376 0.000 1.212 551 P CA 0.863 63.679 63.100 -0.473 0.000 0.774 551 P CB 0.086 31.417 31.700 -0.615 0.000 0.999 552 Y N 0.708 120.980 120.300 -0.047 0.000 2.570 552 Y HA 0.557 4.272 4.550 -1.392 0.000 0.345 552 Y C -2.107 173.819 175.900 0.043 0.000 1.014 552 Y CA -2.967 55.157 58.100 0.039 0.000 1.063 552 Y CB 1.882 40.434 38.460 0.152 0.000 1.272 552 Y HN -0.189 nan 8.280 nan 0.000 0.477 553 P HA 0.230 nan 4.420 nan 0.000 0.287 553 P C -1.690 175.886 177.300 0.460 0.000 1.290 553 P CA -1.013 62.276 63.100 0.316 0.000 0.889 553 P CB 2.077 33.896 31.700 0.198 0.000 1.190 554 K N 1.751 122.462 120.400 0.518 0.000 2.349 554 K HA 0.167 3.652 4.320 -1.391 0.000 0.289 554 K C 0.769 177.459 176.600 0.149 0.000 1.064 554 K CA -0.409 56.072 56.287 0.324 0.000 0.947 554 K CB 0.067 32.583 32.500 0.027 0.000 1.007 554 K HN 0.221 nan 8.250 nan 0.000 0.478 555 I N 2.947 123.603 120.570 0.143 0.000 3.030 555 I HA -0.057 3.278 4.170 -1.391 0.000 0.270 555 I C 0.679 176.832 176.117 0.059 0.000 1.211 555 I CA 0.707 62.074 61.300 0.111 0.000 1.479 555 I CB -1.013 37.076 38.000 0.149 0.000 1.105 555 I HN 0.742 nan 8.210 nan 0.000 0.447 556 D N -1.147 119.260 120.400 0.012 0.000 2.831 556 D HA 0.106 3.911 4.640 -1.391 0.000 0.240 556 D C 1.116 177.351 176.300 -0.109 0.000 1.183 556 D CA 0.227 54.222 54.000 -0.009 0.000 1.079 556 D CB -0.080 40.748 40.800 0.048 0.000 1.262 556 D HN -0.107 nan 8.370 nan 0.000 0.634 557 S N -2.075 113.572 115.700 -0.090 0.000 2.481 557 S HA 0.241 3.876 4.470 -1.391 0.000 0.231 557 S C 1.843 176.282 174.600 -0.269 0.000 0.996 557 S CA 0.924 59.033 58.200 -0.151 0.000 0.942 557 S CB -0.795 62.355 63.200 -0.084 0.000 0.768 557 S HN 1.450 nan 8.310 nan 0.000 0.520 558 G N 0.441 109.089 108.800 -0.253 0.000 2.195 558 G HA2 -0.208 2.917 3.960 -1.391 0.000 0.246 558 G HA3 -0.208 2.917 3.960 -1.391 0.000 0.246 558 G C 0.006 174.950 174.900 0.074 0.000 0.984 558 G CA 0.385 45.335 45.100 -0.250 0.000 0.633 558 G HN 0.523 nan 8.290 nan 0.000 0.525 559 L N 0.000 121.221 121.223 -0.004 0.000 2.949 559 L HA 0.000 3.505 4.340 -1.391 0.000 0.249 559 L CA 0.000 54.866 54.840 0.043 0.000 0.813 559 L CB 0.000 41.989 42.059 -0.117 0.000 0.961 559 L HN 0.000 nan 8.230 nan 0.000 0.502