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 3fu8_1_A DATA FIRST_RESID 1 DATA SEQUENCE EPTcNTPSNR AcWSDGFDIN TDYEVSTPDT GVTQSYVFNL TEVDNWMGPD DATA SEQUENCE GVVKEKVMLI NGNIMGPNIV ANWGDTVEVT VINNLVTNGT SIHWHGIXQK DATA SEQUENCE DTNLHDGANG VTEcPIPPKG GQRTYRWRAR QYGTSWYHSH FSAQYGNGVV DATA SEQUENCE GTIQINGPAS LPYDIDLGVF PITDYYYRAA DDLVHFTQNN APPFSDNVLI DATA SEQUENCE NGTAVNPNTG EGQYANVTLT PGKRHRLRIL NTSTENHFQV SLVNHTMTVI DATA SEQUENCE AADMVPVNAM TVDSLFLAVG QRYDVVIDAS RAPDNYWFNV TFGGQAAcGG DATA SEQUENCE SLNPHPAAIF HYAGAPGGLP TDEGTPPVDH QcLDTLDVRP VVPRSVPVNS DATA SEQUENCE FVKRPDNTLP VALDLTGTPL FVWKVNGSDI NVDWGKPIID YILTGNTSYP DATA SEQUENCE VSDNIVQVDA VDQWTYWLIE NDPEGPFSLP HPMHLHGHDF LVLGRSPDVP DATA SEQUENCE AASQQRFVFD PAVDLARLNG DNPPRRDTTM LPAGGWLLLA FRTDNPGAWL DATA SEQUENCE FHCHIAWHVS GGLSVDFLER PADLRQRISQ EDEDDFNRVc DEWRAYWPTN DATA SEQUENCE PYPKIDSGL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.366 176.600 -0.390 0.000 1.382 1 E CA 0.000 56.335 56.400 -0.108 0.000 0.976 1 E CB 0.000 29.637 29.700 -0.105 0.000 0.812 2 P HA 0.256 nan 4.420 nan 0.000 0.276 2 P C 0.047 176.994 177.300 -0.590 0.000 1.252 2 P CA -0.277 62.078 63.100 -1.242 0.000 0.802 2 P CB 1.365 31.965 31.700 -1.833 0.000 1.035 3 T N -4.154 110.127 114.554 -0.455 0.000 2.986 3 T HA 0.099 4.449 4.350 -0.001 0.000 0.264 3 T C 0.968 175.560 174.700 -0.181 0.000 0.964 3 T CA 0.276 62.227 62.100 -0.247 0.000 0.895 3 T CB -0.884 67.888 68.868 -0.161 0.000 1.163 3 T HN 0.595 nan 8.240 nan 0.000 0.517 4 c N 0.561 119.050 118.600 -0.184 0.000 3.486 4 c HA 0.493 5.062 4.570 -0.001 0.000 0.264 4 c C 0.274 174.326 174.090 -0.064 0.000 1.756 4 c CA -1.419 54.855 56.329 -0.092 0.000 1.764 4 c CB -1.726 40.761 42.510 -0.038 0.000 3.238 4 c HN 0.485 nan 8.230 nan 0.000 0.524 5 N N 3.023 121.656 118.700 -0.111 0.000 2.469 5 N HA 0.352 5.091 4.740 -0.001 0.000 0.239 5 N C -0.198 175.277 175.510 -0.059 0.000 1.053 5 N CA 0.742 53.778 53.050 -0.023 0.000 0.937 5 N CB 1.119 39.647 38.487 0.069 0.000 1.163 5 N HN 0.761 nan 8.380 nan 0.000 0.509 6 T N 0.803 115.319 114.554 -0.063 0.000 2.910 6 T HA 0.466 4.816 4.350 -0.001 0.000 0.287 6 T C -2.077 172.544 174.700 -0.132 0.000 1.050 6 T CA -1.626 60.423 62.100 -0.085 0.000 1.011 6 T CB 1.806 70.635 68.868 -0.065 0.000 1.195 6 T HN 0.069 nan 8.240 nan 0.000 0.540 7 P HA -0.074 nan 4.420 nan 0.000 0.216 7 P C 1.554 178.768 177.300 -0.142 0.000 1.150 7 P CA 1.314 64.305 63.100 -0.182 0.000 0.837 7 P CB -0.064 31.564 31.700 -0.121 0.000 0.786 8 S N -3.308 112.341 115.700 -0.085 0.000 2.558 8 S HA 0.089 4.559 4.470 -0.001 0.000 0.217 8 S C 0.940 175.516 174.600 -0.040 0.000 0.975 8 S CA 0.038 58.206 58.200 -0.053 0.000 0.912 8 S CB -0.626 62.554 63.200 -0.032 0.000 0.776 8 S HN -0.025 nan 8.310 nan 0.000 0.526 9 N N 1.053 119.724 118.700 -0.048 0.000 2.750 9 N HA 0.321 5.061 4.740 -0.001 0.000 0.253 9 N C 0.252 175.752 175.510 -0.017 0.000 1.408 9 N CA -0.375 52.664 53.050 -0.018 0.000 0.780 9 N CB 0.540 39.025 38.487 -0.003 0.000 1.191 9 N HN -0.007 nan 8.380 nan 0.000 0.511 10 R N 0.467 120.945 120.500 -0.036 0.000 2.275 10 R HA 0.186 4.525 4.340 -0.001 0.000 0.199 10 R C 1.409 177.753 176.300 0.073 0.000 0.989 10 R CA 0.537 56.622 56.100 -0.025 0.000 1.016 10 R CB -0.271 29.957 30.300 -0.120 0.000 0.918 10 R HN 0.469 nan 8.270 nan 0.000 0.473 11 A N 0.442 123.307 122.820 0.075 0.000 2.015 11 A HA -0.093 4.227 4.320 -0.001 0.000 0.219 11 A C 1.259 178.930 177.584 0.145 0.000 1.163 11 A CA 0.520 52.617 52.037 0.101 0.000 0.646 11 A CB -0.274 18.778 19.000 0.086 0.000 0.806 11 A HN 0.335 nan 8.150 nan 0.000 0.448 12 c N -1.432 117.256 118.600 0.146 0.000 2.539 12 c HA 0.435 5.005 4.570 -0.001 0.000 0.392 12 c C 1.118 175.399 174.090 0.318 0.000 1.269 12 c CA -0.517 55.923 56.329 0.184 0.000 2.250 12 c CB 0.129 42.698 42.510 0.099 0.000 2.584 12 c HN 0.697 nan 8.230 nan 0.000 0.589 13 W N 2.125 123.485 121.300 0.101 0.000 4.366 13 W HA 0.280 4.940 4.660 -0.000 0.000 0.201 13 W C 0.324 176.901 176.519 0.096 0.000 0.994 13 W CA 0.626 58.041 57.345 0.117 0.000 2.324 13 W CB -0.383 29.219 29.460 0.237 0.000 1.011 13 W HN 0.786 nan 8.180 nan 0.000 0.846 14 S N -0.031 115.789 115.700 0.199 0.000 2.636 14 S HA 0.199 4.668 4.470 -0.001 0.000 0.268 14 S C -1.601 173.104 174.600 0.176 0.000 1.159 14 S CA -0.730 57.507 58.200 0.061 0.000 0.815 14 S CB 2.089 65.278 63.200 -0.018 0.000 1.130 14 S HN 0.007 nan 8.310 nan 0.000 0.471 15 D N 0.314 120.781 120.400 0.112 0.000 2.472 15 D HA 0.448 5.087 4.640 -0.001 0.000 0.248 15 D C 1.532 177.871 176.300 0.063 0.000 1.174 15 D CA 2.282 56.328 54.000 0.076 0.000 0.883 15 D CB -0.132 40.692 40.800 0.039 0.000 1.149 15 D HN 1.315 nan 8.370 nan 0.000 0.488 16 G N 2.786 111.541 108.800 -0.073 0.000 2.199 16 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.254 16 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.254 16 G C 0.140 174.647 174.900 -0.655 0.000 0.982 16 G CA -0.047 44.820 45.100 -0.389 0.000 0.632 16 G HN 0.442 nan 8.290 nan 0.000 0.529 17 F N 2.033 122.040 119.950 0.095 0.000 2.499 17 F HA 0.616 5.142 4.527 -0.001 0.000 0.333 17 F C 0.047 176.062 175.800 0.359 0.000 1.138 17 F CA -0.496 57.613 58.000 0.181 0.000 0.945 17 F CB 2.006 40.971 39.000 -0.059 0.000 1.181 17 F HN 0.300 nan 8.300 nan 0.000 0.435 18 D N 1.245 121.956 120.400 0.519 0.000 2.812 18 D HA 0.234 4.874 4.640 -0.001 0.000 0.318 18 D C 0.367 176.855 176.300 0.313 0.000 1.234 18 D CA -0.636 53.594 54.000 0.383 0.000 0.989 18 D CB 0.468 41.411 40.800 0.239 0.000 1.442 18 D HN 0.245 nan 8.370 nan 0.000 0.537 19 I N -0.040 120.650 120.570 0.199 0.000 2.700 19 I HA -0.036 4.134 4.170 -0.001 0.000 0.261 19 I C 0.659 176.909 176.117 0.222 0.000 1.219 19 I CA 1.110 62.517 61.300 0.178 0.000 1.463 19 I CB -0.531 37.550 38.000 0.135 0.000 1.092 19 I HN 0.301 nan 8.210 nan 0.000 0.452 20 N N -0.558 118.266 118.700 0.206 0.000 2.254 20 N HA 0.088 4.827 4.740 -0.001 0.000 0.190 20 N C 0.328 175.954 175.510 0.192 0.000 1.107 20 N CA 0.176 53.331 53.050 0.175 0.000 0.869 20 N CB 0.060 38.621 38.487 0.123 0.000 0.983 20 N HN 0.235 nan 8.380 nan 0.000 0.487 21 T N 1.392 116.112 114.554 0.276 0.000 2.940 21 T HA -0.056 4.293 4.350 -0.001 0.000 0.309 21 T C 0.171 175.048 174.700 0.295 0.000 1.056 21 T CA 0.202 62.481 62.100 0.300 0.000 1.137 21 T CB 0.938 70.108 68.868 0.502 0.000 0.976 21 T HN -0.008 nan 8.240 nan 0.000 0.547 22 D N 2.235 122.734 120.400 0.165 0.000 2.435 22 D HA 0.054 4.694 4.640 -0.001 0.000 0.230 22 D C 0.966 177.312 176.300 0.077 0.000 1.215 22 D CA -0.648 53.355 54.000 0.005 0.000 0.947 22 D CB 0.060 40.841 40.800 -0.030 0.000 1.048 22 D HN 0.657 nan 8.370 nan 0.000 0.512 23 Y N 1.513 121.983 120.300 0.284 0.000 2.639 23 Y HA 0.086 4.636 4.550 -0.001 0.000 0.297 23 Y C 1.431 177.472 175.900 0.236 0.000 1.151 23 Y CA 0.380 58.720 58.100 0.399 0.000 1.335 23 Y CB -0.324 38.256 38.460 0.200 0.000 0.994 23 Y HN 0.279 nan 8.280 nan 0.000 0.548 24 E N 0.570 120.621 120.200 -0.249 0.000 2.299 24 E HA -0.041 4.309 4.350 -0.001 0.000 0.193 24 E C 1.751 178.358 176.600 0.011 0.000 0.998 24 E CA 1.366 57.700 56.400 -0.109 0.000 0.851 24 E CB 0.210 29.771 29.700 -0.232 0.000 0.795 24 E HN 0.595 nan 8.360 nan 0.000 0.492 25 V N -3.445 116.491 119.914 0.038 0.000 3.548 25 V HA 0.287 4.407 4.120 -0.001 0.000 0.279 25 V C 0.414 176.581 176.094 0.121 0.000 1.446 25 V CA -0.379 61.958 62.300 0.062 0.000 1.023 25 V CB 1.345 33.182 31.823 0.023 0.000 0.820 25 V HN -0.067 nan 8.190 nan 0.000 0.438 26 S N 0.186 116.012 115.700 0.211 0.000 2.557 26 S HA 0.773 5.242 4.470 -0.001 0.000 0.291 26 S C -0.606 174.258 174.600 0.440 0.000 1.116 26 S CA -0.043 58.325 58.200 0.281 0.000 0.992 26 S CB 1.882 65.218 63.200 0.225 0.000 1.028 26 S HN 0.569 nan 8.310 nan 0.000 0.484 27 T N 5.684 120.431 114.554 0.321 0.000 2.971 27 T HA 0.509 4.859 4.350 -0.001 0.000 0.304 27 T C -2.959 171.531 174.700 -0.350 0.000 1.038 27 T CA -1.000 61.103 62.100 0.005 0.000 1.007 27 T CB 1.781 70.694 68.868 0.076 0.000 1.055 27 T HN 0.324 nan 8.240 nan 0.000 0.451 28 P HA 0.184 nan 4.420 nan 0.000 0.267 28 P C -0.635 176.407 177.300 -0.430 0.000 1.205 28 P CA -0.269 62.153 63.100 -1.131 0.000 0.765 28 P CB 0.386 31.309 31.700 -1.296 0.000 0.828 29 D N 2.052 122.317 120.400 -0.224 0.000 2.494 29 D HA 0.041 4.681 4.640 -0.001 0.000 0.217 29 D C 1.121 177.356 176.300 -0.109 0.000 1.153 29 D CA -0.002 53.931 54.000 -0.112 0.000 0.954 29 D CB 0.054 40.830 40.800 -0.039 0.000 1.034 29 D HN 0.278 nan 8.370 nan 0.000 0.518 30 T N 0.017 114.502 114.554 -0.114 0.000 3.035 30 T HA 0.148 4.497 4.350 -0.001 0.000 0.259 30 T C 1.695 176.359 174.700 -0.060 0.000 1.078 30 T CA 0.653 62.703 62.100 -0.083 0.000 1.132 30 T CB -0.159 68.671 68.868 -0.064 0.000 0.900 30 T HN 0.449 nan 8.240 nan 0.000 0.480 31 G N 0.747 109.512 108.800 -0.059 0.000 2.168 31 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.257 31 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.257 31 G C 0.037 174.904 174.900 -0.056 0.000 0.997 31 G CA 0.221 45.290 45.100 -0.052 0.000 0.708 31 G HN 0.788 nan 8.290 nan 0.000 0.520 32 V N 0.405 120.284 119.914 -0.058 0.000 2.483 32 V HA 0.730 4.850 4.120 -0.001 0.000 0.295 32 V C 0.413 176.458 176.094 -0.081 0.000 1.035 32 V CA -0.193 62.070 62.300 -0.061 0.000 0.896 32 V CB 1.983 33.779 31.823 -0.045 0.000 0.986 32 V HN 0.248 nan 8.190 nan 0.000 0.447 33 T N 4.499 118.993 114.554 -0.100 0.000 2.807 33 T HA 0.431 4.781 4.350 -0.001 0.000 0.279 33 T C -0.699 173.909 174.700 -0.153 0.000 0.993 33 T CA -0.548 61.469 62.100 -0.139 0.000 0.970 33 T CB 1.290 70.072 68.868 -0.143 0.000 0.950 33 T HN 0.537 nan 8.240 nan 0.000 0.441 34 Q N 2.218 121.910 119.800 -0.181 0.000 2.325 34 Q HA 0.558 4.898 4.340 -0.001 0.000 0.262 34 Q C -0.680 175.128 176.000 -0.320 0.000 0.968 34 Q CA -0.412 55.257 55.803 -0.223 0.000 0.877 34 Q CB 1.983 30.655 28.738 -0.110 0.000 1.253 34 Q HN 0.608 nan 8.270 nan 0.000 0.448 35 S N 2.212 117.643 115.700 -0.448 0.000 2.568 35 S HA 0.795 5.265 4.470 -0.001 0.000 0.302 35 S C -1.005 173.215 174.600 -0.633 0.000 1.082 35 S CA -0.518 57.451 58.200 -0.384 0.000 1.009 35 S CB 1.004 64.064 63.200 -0.232 0.000 1.069 35 S HN 0.414 nan 8.310 nan 0.000 0.500 36 Y N -0.479 119.767 120.300 -0.089 0.000 2.588 36 Y HA 0.587 5.137 4.550 -0.001 0.000 0.343 36 Y C -0.654 175.248 175.900 0.004 0.000 1.065 36 Y CA -1.070 57.036 58.100 0.010 0.000 1.038 36 Y CB 1.483 39.994 38.460 0.084 0.000 1.297 36 Y HN 0.365 nan 8.280 nan 0.000 0.467 37 V N 2.589 122.677 119.914 0.290 0.000 2.495 37 V HA 0.421 4.541 4.120 -0.001 0.000 0.298 37 V C -1.191 175.200 176.094 0.495 0.000 1.031 37 V CA -0.850 61.596 62.300 0.243 0.000 0.871 37 V CB 1.489 33.406 31.823 0.155 0.000 0.988 37 V HN 0.446 nan 8.190 nan 0.000 0.432 38 F N 3.491 123.515 119.950 0.123 0.000 2.347 38 F HA 0.456 4.982 4.527 -0.001 0.000 0.366 38 F C 0.313 176.164 175.800 0.085 0.000 1.107 38 F CA -1.571 56.492 58.000 0.104 0.000 1.058 38 F CB 1.205 40.264 39.000 0.097 0.000 1.236 38 F HN 0.506 nan 8.300 nan 0.000 0.456 39 N N 4.879 123.714 118.700 0.225 0.000 2.485 39 N HA 0.293 5.033 4.740 -0.001 0.000 0.243 39 N C -1.143 174.422 175.510 0.091 0.000 0.987 39 N CA -0.197 52.934 53.050 0.136 0.000 0.940 39 N CB 0.557 39.108 38.487 0.106 0.000 1.122 39 N HN 0.521 nan 8.380 nan 0.000 0.509 40 L N 2.923 124.195 121.223 0.081 0.000 2.290 40 L HA 0.370 4.710 4.340 -0.001 0.000 0.284 40 L C 0.578 177.461 176.870 0.023 0.000 1.078 40 L CA -0.342 54.524 54.840 0.043 0.000 0.815 40 L CB 0.829 42.910 42.059 0.038 0.000 1.162 40 L HN 0.609 nan 8.230 nan 0.000 0.435 41 T N -0.623 113.936 114.554 0.008 0.000 2.916 41 T HA 0.414 4.763 4.350 -0.001 0.000 0.292 41 T C -0.650 174.046 174.700 -0.007 0.000 1.055 41 T CA -0.917 61.187 62.100 0.007 0.000 1.009 41 T CB 2.424 71.304 68.868 0.019 0.000 1.118 41 T HN 0.521 nan 8.240 nan 0.000 0.497 42 E N 1.195 121.401 120.200 0.009 0.000 2.109 42 E HA 0.554 4.903 4.350 -0.001 0.000 0.278 42 E C -1.334 175.280 176.600 0.024 0.000 0.954 42 E CA -0.780 55.628 56.400 0.014 0.000 0.779 42 E CB 1.016 30.738 29.700 0.037 0.000 1.093 42 E HN 0.539 nan 8.360 nan 0.000 0.401 43 V N 5.029 124.948 119.914 0.008 0.000 2.409 43 V HA 0.274 4.393 4.120 -0.001 0.000 0.291 43 V C -0.373 175.775 176.094 0.090 0.000 1.020 43 V CA -0.945 61.387 62.300 0.053 0.000 0.848 43 V CB 1.700 33.551 31.823 0.048 0.000 0.990 43 V HN 0.696 nan 8.190 nan 0.000 0.430 44 D N 3.533 124.001 120.400 0.112 0.000 2.277 44 D HA 0.314 4.954 4.640 -0.001 0.000 0.250 44 D C 0.220 176.613 176.300 0.156 0.000 1.032 44 D CA -0.302 53.770 54.000 0.120 0.000 0.947 44 D CB 0.809 41.664 40.800 0.090 0.000 1.159 44 D HN 0.574 nan 8.370 nan 0.000 0.460 45 N N 0.670 119.461 118.700 0.151 0.000 2.688 45 N HA -0.243 4.496 4.740 -0.001 0.000 0.258 45 N C -0.981 174.644 175.510 0.192 0.000 1.016 45 N CA 0.383 53.516 53.050 0.138 0.000 0.747 45 N CB -1.237 37.300 38.487 0.082 0.000 0.895 45 N HN 0.519 nan 8.380 nan 0.000 0.543 46 W N 1.413 122.738 121.300 0.041 0.000 2.338 46 W HA 0.490 5.150 4.660 -0.001 0.000 0.307 46 W C 0.488 177.038 176.519 0.052 0.000 1.167 46 W CA -1.115 56.260 57.345 0.051 0.000 1.208 46 W CB 0.509 30.011 29.460 0.071 0.000 1.228 46 W HN 0.214 nan 8.180 nan 0.000 0.499 47 M N 7.232 126.544 119.600 -0.480 0.000 2.194 47 M HA 0.410 4.889 4.480 -0.001 0.000 0.347 47 M C 0.277 175.921 176.300 -1.093 0.000 1.439 47 M CA 0.363 55.335 55.300 -0.548 0.000 1.131 47 M CB 0.053 32.429 32.600 -0.373 0.000 1.733 47 M HN 0.479 nan 8.290 nan 0.000 0.467 48 G N 5.249 113.629 108.800 -0.700 0.000 2.557 48 G HA2 0.500 4.460 3.960 -0.001 0.000 0.292 48 G HA3 0.500 4.460 3.960 -0.001 0.000 0.292 48 G C -1.949 172.740 174.900 -0.351 0.000 1.237 48 G CA -1.124 43.575 45.100 -0.669 0.000 0.978 48 G HN 0.660 nan 8.290 nan 0.000 0.498 49 P HA -0.034 nan 4.420 nan 0.000 0.223 49 P C 0.588 177.802 177.300 -0.143 0.000 1.151 49 P CA 1.128 64.110 63.100 -0.196 0.000 0.787 49 P CB 0.219 31.800 31.700 -0.197 0.000 0.788 50 D N -1.484 118.870 120.400 -0.077 0.000 2.358 50 D HA 0.153 4.792 4.640 -0.001 0.000 0.224 50 D C 1.383 177.669 176.300 -0.023 0.000 1.123 50 D CA 0.148 54.133 54.000 -0.025 0.000 0.833 50 D CB -0.508 40.331 40.800 0.066 0.000 0.946 50 D HN 0.229 nan 8.370 nan 0.000 0.505 51 G N -0.589 108.170 108.800 -0.069 0.000 2.258 51 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.233 51 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.233 51 G C 0.161 174.997 174.900 -0.106 0.000 1.006 51 G CA 0.103 45.150 45.100 -0.088 0.000 0.620 51 G HN 0.370 nan 8.290 nan 0.000 0.511 52 V N 1.898 121.749 119.914 -0.105 0.000 2.583 52 V HA 0.505 4.624 4.120 -0.001 0.000 0.287 52 V C 0.998 177.003 176.094 -0.148 0.000 1.051 52 V CA -0.532 61.636 62.300 -0.220 0.000 1.010 52 V CB 1.746 33.208 31.823 -0.602 0.000 0.988 52 V HN 0.304 nan 8.190 nan 0.000 0.478 53 V N 5.768 125.598 119.914 -0.141 0.000 2.461 53 V HA 0.248 4.367 4.120 -0.001 0.000 0.275 53 V C 0.425 176.527 176.094 0.013 0.000 1.047 53 V CA -0.643 61.627 62.300 -0.051 0.000 0.955 53 V CB 0.819 32.616 31.823 -0.044 0.000 0.988 53 V HN 0.793 nan 8.190 nan 0.000 0.471 54 K N 3.393 123.894 120.400 0.169 0.000 2.174 54 K HA 0.224 4.543 4.320 -0.001 0.000 0.275 54 K C 1.176 177.881 176.600 0.176 0.000 1.015 54 K CA -0.373 56.040 56.287 0.209 0.000 0.933 54 K CB 1.616 34.330 32.500 0.356 0.000 1.025 54 K HN 0.767 nan 8.250 nan 0.000 0.463 55 E N 2.693 122.964 120.200 0.119 0.000 2.065 55 E HA -0.232 4.117 4.350 -0.001 0.000 0.201 55 E C -0.167 176.498 176.600 0.109 0.000 1.016 55 E CA 1.661 58.118 56.400 0.094 0.000 0.818 55 E CB 0.315 30.055 29.700 0.068 0.000 0.749 55 E HN 0.376 nan 8.360 nan 0.000 0.453 56 K N -0.369 120.097 120.400 0.110 0.000 2.561 56 K HA 0.277 4.596 4.320 -0.001 0.000 0.254 56 K C -1.244 175.390 176.600 0.056 0.000 0.942 56 K CA -0.528 55.811 56.287 0.087 0.000 0.818 56 K CB 2.042 34.584 32.500 0.071 0.000 1.306 56 K HN 0.049 nan 8.250 nan 0.000 0.435 57 V N 0.107 120.011 119.914 -0.016 0.000 3.126 57 V HA 0.709 4.828 4.120 -0.001 0.000 0.314 57 V C -0.795 175.226 176.094 -0.122 0.000 1.138 57 V CA -1.152 61.069 62.300 -0.133 0.000 1.034 57 V CB 2.030 33.582 31.823 -0.452 0.000 1.075 57 V HN 0.817 nan 8.190 nan 0.000 0.442 58 M N 2.660 122.186 119.600 -0.123 0.000 2.142 58 M HA 0.640 5.119 4.480 -0.001 0.000 0.299 58 M C -1.383 174.853 176.300 -0.107 0.000 0.960 58 M CA -0.108 55.146 55.300 -0.076 0.000 0.920 58 M CB 1.861 34.456 32.600 -0.008 0.000 1.541 58 M HN 0.556 nan 8.290 nan 0.000 0.429 59 L N 3.855 125.011 121.223 -0.113 0.000 2.354 59 L HA 0.688 5.027 4.340 -0.001 0.000 0.269 59 L C -0.612 176.223 176.870 -0.058 0.000 1.005 59 L CA -0.989 53.778 54.840 -0.122 0.000 0.819 59 L CB 2.349 44.306 42.059 -0.171 0.000 1.311 59 L HN 0.648 nan 8.230 nan 0.000 0.423 60 I N 2.909 123.440 120.570 -0.065 0.000 2.325 60 I HA 0.186 4.356 4.170 -0.001 0.000 0.291 60 I C -0.051 176.041 176.117 -0.042 0.000 1.019 60 I CA -0.340 60.915 61.300 -0.074 0.000 1.302 60 I CB 0.723 38.588 38.000 -0.225 0.000 1.401 60 I HN 0.710 nan 8.210 nan 0.000 0.485 61 N N 4.942 123.648 118.700 0.011 0.000 2.714 61 N HA -0.205 4.535 4.740 -0.001 0.000 0.250 61 N C 0.949 176.485 175.510 0.043 0.000 1.117 61 N CA 1.312 54.387 53.050 0.041 0.000 0.719 61 N CB -1.342 37.178 38.487 0.055 0.000 1.081 61 N HN 1.138 nan 8.380 nan 0.000 0.557 62 G N -1.784 107.036 108.800 0.034 0.000 2.155 62 G HA2 -0.351 3.609 3.960 -0.001 0.000 0.257 62 G HA3 -0.351 3.609 3.960 -0.001 0.000 0.257 62 G C -0.000 174.958 174.900 0.096 0.000 0.983 62 G CA 0.573 45.710 45.100 0.061 0.000 0.676 62 G HN 0.580 nan 8.290 nan 0.000 0.528 63 N N -0.926 117.811 118.700 0.062 0.000 2.457 63 N HA 0.502 5.242 4.740 -0.001 0.000 0.290 63 N C 1.282 176.825 175.510 0.055 0.000 1.232 63 N CA -0.426 52.684 53.050 0.100 0.000 0.852 63 N CB 1.329 39.860 38.487 0.073 0.000 1.313 63 N HN 0.015 nan 8.380 nan 0.000 0.522 64 I N -0.266 120.381 120.570 0.128 0.000 2.423 64 I HA -0.084 4.086 4.170 -0.001 0.000 0.254 64 I C 0.153 176.266 176.117 -0.006 0.000 1.151 64 I CA 1.395 62.740 61.300 0.075 0.000 1.421 64 I CB 0.209 38.342 38.000 0.221 0.000 1.079 64 I HN 0.380 nan 8.210 nan 0.000 0.431 65 M N -1.126 118.470 119.600 -0.007 0.000 2.658 65 M HA 0.395 4.874 4.480 -0.001 0.000 0.295 65 M C 0.218 176.487 176.300 -0.050 0.000 1.248 65 M CA -0.573 54.701 55.300 -0.043 0.000 0.843 65 M CB 1.724 34.291 32.600 -0.054 0.000 1.749 65 M HN -0.033 nan 8.290 nan 0.000 0.464 66 G N 0.848 109.600 108.800 -0.081 0.000 2.621 66 G HA2 0.510 4.469 3.960 -0.001 0.000 0.271 66 G HA3 0.510 4.469 3.960 -0.001 0.000 0.271 66 G C -2.758 172.129 174.900 -0.022 0.000 1.236 66 G CA -0.955 44.072 45.100 -0.122 0.000 0.958 66 G HN 0.328 nan 8.290 nan 0.000 0.512 67 P HA 0.045 nan 4.420 nan 0.000 0.267 67 P C -0.453 176.911 177.300 0.106 0.000 1.200 67 P CA -0.349 62.792 63.100 0.069 0.000 0.772 67 P CB 0.409 32.194 31.700 0.140 0.000 0.855 68 N N 2.268 121.028 118.700 0.101 0.000 2.405 68 N HA 0.137 4.877 4.740 -0.001 0.000 0.260 68 N C 0.178 175.728 175.510 0.067 0.000 1.152 68 N CA 0.084 53.199 53.050 0.109 0.000 0.948 68 N CB -0.226 38.321 38.487 0.100 0.000 1.111 68 N HN 0.369 nan 8.380 nan 0.000 0.485 69 I N 2.115 122.715 120.570 0.051 0.000 2.529 69 I HA 0.079 4.249 4.170 -0.001 0.000 0.284 69 I C -0.021 176.180 176.117 0.140 0.000 1.082 69 I CA -0.164 61.084 61.300 -0.088 0.000 1.406 69 I CB 0.626 38.603 38.000 -0.037 0.000 1.405 69 I HN 0.031 nan 8.210 nan 0.000 0.548 70 V N 5.850 125.904 119.914 0.233 0.000 2.668 70 V HA 0.858 4.977 4.120 -0.001 0.000 0.304 70 V C -0.223 175.992 176.094 0.202 0.000 1.071 70 V CA -0.445 61.978 62.300 0.205 0.000 0.894 70 V CB 1.447 33.381 31.823 0.184 0.000 1.008 70 V HN 0.913 nan 8.190 nan 0.000 0.425 71 A N 3.978 126.899 122.820 0.168 0.000 2.557 71 A HA 0.835 5.155 4.320 -0.001 0.000 0.292 71 A C -1.395 176.293 177.584 0.172 0.000 1.139 71 A CA -0.788 51.334 52.037 0.141 0.000 0.665 71 A CB 1.597 20.651 19.000 0.090 0.000 1.285 71 A HN 0.629 nan 8.150 nan 0.000 0.433 72 N N -0.050 118.762 118.700 0.186 0.000 2.487 72 N HA 0.276 5.016 4.740 -0.001 0.000 0.292 72 N C -0.728 174.949 175.510 0.279 0.000 1.108 72 N CA -0.212 53.009 53.050 0.285 0.000 0.956 72 N CB 0.895 39.593 38.487 0.352 0.000 1.176 72 N HN 0.694 nan 8.380 nan 0.000 0.484 73 W N 1.865 123.181 121.300 0.027 0.000 2.513 73 W HA 0.107 4.767 4.660 -0.001 0.000 0.339 73 W C 1.197 177.710 176.519 -0.010 0.000 1.257 73 W CA 1.288 58.611 57.345 -0.037 0.000 1.280 73 W CB -0.882 28.413 29.460 -0.276 0.000 1.214 73 W HN 0.839 nan 8.180 nan 0.000 0.567 74 G N 3.253 112.141 108.800 0.148 0.000 2.213 74 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.236 74 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.236 74 G C 0.291 175.178 174.900 -0.021 0.000 0.991 74 G CA 0.028 45.089 45.100 -0.066 0.000 0.629 74 G HN 0.545 nan 8.290 nan 0.000 0.517 75 D N 1.017 121.433 120.400 0.027 0.000 2.354 75 D HA 0.495 5.135 4.640 -0.001 0.000 0.238 75 D C 0.693 176.958 176.300 -0.057 0.000 1.250 75 D CA 0.871 54.861 54.000 -0.015 0.000 0.911 75 D CB 0.542 41.344 40.800 0.003 0.000 1.163 75 D HN 0.125 nan 8.370 nan 0.000 0.456 76 T N 0.310 114.789 114.554 -0.126 0.000 2.824 76 T HA 0.453 4.802 4.350 -0.001 0.000 0.280 76 T C -0.237 174.242 174.700 -0.368 0.000 0.995 76 T CA -0.656 61.308 62.100 -0.225 0.000 1.009 76 T CB 1.303 70.055 68.868 -0.193 0.000 0.955 76 T HN -0.044 nan 8.240 nan 0.000 0.452 77 V N 3.154 122.644 119.914 -0.708 0.000 2.435 77 V HA 0.539 4.658 4.120 -0.001 0.000 0.290 77 V C 0.005 175.535 176.094 -0.940 0.000 1.030 77 V CA -0.616 61.117 62.300 -0.944 0.000 0.881 77 V CB 1.555 32.413 31.823 -1.608 0.000 0.983 77 V HN 0.906 nan 8.190 nan 0.000 0.445 78 E N 3.615 123.479 120.200 -0.560 0.000 2.263 78 E HA 0.678 5.027 4.350 -0.001 0.000 0.268 78 E C -2.017 174.415 176.600 -0.280 0.000 0.884 78 E CA -0.455 55.701 56.400 -0.408 0.000 0.766 78 E CB 2.214 31.752 29.700 -0.270 0.000 1.196 78 E HN 0.437 nan 8.360 nan 0.000 0.416 79 V N 3.648 123.404 119.914 -0.263 0.000 2.525 79 V HA 0.329 4.448 4.120 -0.001 0.000 0.299 79 V C -0.393 175.656 176.094 -0.075 0.000 1.034 79 V CA -0.784 61.365 62.300 -0.252 0.000 0.863 79 V CB 1.956 33.440 31.823 -0.564 0.000 0.999 79 V HN 0.761 nan 8.190 nan 0.000 0.423 80 T N 4.673 119.192 114.554 -0.058 0.000 2.727 80 T HA 0.413 4.763 4.350 -0.001 0.000 0.298 80 T C -0.054 174.681 174.700 0.058 0.000 0.942 80 T CA -0.179 61.931 62.100 0.016 0.000 0.997 80 T CB 0.991 69.868 68.868 0.016 0.000 0.917 80 T HN 0.360 nan 8.240 nan 0.000 0.487 81 V N 6.066 126.056 119.914 0.126 0.000 2.383 81 V HA 0.411 4.531 4.120 -0.001 0.000 0.275 81 V C 0.147 176.322 176.094 0.135 0.000 1.036 81 V CA -0.677 61.739 62.300 0.194 0.000 0.889 81 V CB 0.776 32.782 31.823 0.305 0.000 0.985 81 V HN 0.777 nan 8.190 nan 0.000 0.459 82 I N 4.561 125.210 120.570 0.133 0.000 2.355 82 I HA 0.347 4.516 4.170 -0.001 0.000 0.288 82 I C 0.077 176.233 176.117 0.064 0.000 0.999 82 I CA -0.436 60.912 61.300 0.079 0.000 1.163 82 I CB 1.399 39.442 38.000 0.071 0.000 1.316 82 I HN 0.486 nan 8.210 nan 0.000 0.454 83 N N 6.132 124.846 118.700 0.024 0.000 2.482 83 N HA 0.128 4.867 4.740 -0.001 0.000 0.242 83 N C -0.118 175.379 175.510 -0.022 0.000 1.100 83 N CA 0.005 53.050 53.050 -0.009 0.000 0.946 83 N CB 0.253 38.705 38.487 -0.058 0.000 1.227 83 N HN 0.420 nan 8.380 nan 0.000 0.508 84 N N 3.367 122.065 118.700 -0.003 0.000 2.327 84 N HA 0.124 4.864 4.740 -0.001 0.000 0.231 84 N C 0.006 175.512 175.510 -0.008 0.000 1.130 84 N CA -0.064 52.984 53.050 -0.004 0.000 0.845 84 N CB 0.441 38.936 38.487 0.015 0.000 1.073 84 N HN 0.491 nan 8.380 nan 0.000 0.496 85 L N -0.385 120.822 121.223 -0.026 0.000 2.476 85 L HA 0.145 4.485 4.340 -0.001 0.000 0.255 85 L C 1.895 178.760 176.870 -0.008 0.000 1.218 85 L CA -0.406 54.425 54.840 -0.014 0.000 0.819 85 L CB 0.583 42.622 42.059 -0.033 0.000 1.119 85 L HN -0.161 nan 8.230 nan 0.000 0.485 86 V N -0.724 119.208 119.914 0.030 0.000 2.379 86 V HA -0.134 3.985 4.120 -0.001 0.000 0.243 86 V C 1.839 177.967 176.094 0.056 0.000 1.035 86 V CA 2.175 64.501 62.300 0.043 0.000 1.035 86 V CB -0.332 31.533 31.823 0.070 0.000 0.673 86 V HN 1.096 nan 8.190 nan 0.000 0.457 87 T N -4.555 110.065 114.554 0.109 0.000 3.010 87 T HA 0.174 4.524 4.350 -0.001 0.000 0.252 87 T C 0.635 175.471 174.700 0.227 0.000 0.963 87 T CA -0.177 62.042 62.100 0.200 0.000 0.952 87 T CB -0.307 68.710 68.868 0.248 0.000 1.182 87 T HN 0.358 nan 8.240 nan 0.000 0.495 88 N N 1.490 120.257 118.700 0.113 0.000 2.525 88 N HA 0.481 5.220 4.740 -0.001 0.000 0.271 88 N C 0.495 175.765 175.510 -0.400 0.000 1.194 88 N CA -0.365 52.639 53.050 -0.076 0.000 0.964 88 N CB 0.963 39.340 38.487 -0.184 0.000 1.126 88 N HN 0.484 nan 8.380 nan 0.000 0.452 89 G N -0.053 108.231 108.800 -0.860 0.000 2.611 89 G HA2 0.295 4.255 3.960 -0.001 0.000 0.273 89 G HA3 0.295 4.255 3.960 -0.001 0.000 0.273 89 G C -0.287 173.857 174.900 -1.259 0.000 1.305 89 G CA 0.112 44.646 45.100 -0.945 0.000 1.010 89 G HN 0.421 nan 8.290 nan 0.000 0.509 90 T N -1.982 112.152 114.554 -0.701 0.000 2.821 90 T HA 0.606 4.956 4.350 -0.001 0.000 0.306 90 T C -1.066 173.533 174.700 -0.169 0.000 1.313 90 T CA 0.111 61.981 62.100 -0.383 0.000 1.012 90 T CB 1.464 70.220 68.868 -0.187 0.000 1.298 90 T HN 1.530 nan 8.240 nan 0.000 0.502 91 S N 2.683 118.375 115.700 -0.013 0.000 2.562 91 S HA 0.623 5.093 4.470 -0.001 0.000 0.274 91 S C -1.636 172.975 174.600 0.018 0.000 1.160 91 S CA -0.904 57.343 58.200 0.079 0.000 0.933 91 S CB 0.937 64.176 63.200 0.064 0.000 1.100 91 S HN 0.591 nan 8.310 nan 0.000 0.468 92 I N 4.103 124.597 120.570 -0.127 0.000 2.336 92 I HA 0.403 4.573 4.170 -0.001 0.000 0.292 92 I C 0.087 175.619 176.117 -0.975 0.000 0.991 92 I CA -0.287 60.659 61.300 -0.590 0.000 1.227 92 I CB 0.910 38.404 38.000 -0.843 0.000 1.366 92 I HN 0.974 nan 8.210 nan 0.000 0.466 93 H N 6.169 124.653 119.070 -0.978 0.000 2.467 93 H HA 0.385 4.941 4.556 -0.001 0.000 0.326 93 H C -1.419 173.201 175.328 -1.180 0.000 1.094 93 H CA -0.598 54.909 56.048 -0.902 0.000 1.253 93 H CB 0.774 30.234 29.762 -0.503 0.000 1.439 93 H HN 0.396 nan 8.280 nan 0.000 0.479 94 W N 5.413 126.184 121.300 -0.882 0.000 2.292 94 W HA 0.196 4.856 4.660 -0.001 0.000 0.352 94 W C -0.037 175.864 176.519 -1.030 0.000 0.962 94 W CA -0.839 56.017 57.345 -0.815 0.000 1.496 94 W CB -0.326 28.621 29.460 -0.854 0.000 1.381 94 W HN 0.669 nan 8.180 nan 0.000 0.363 95 H N 1.869 120.322 119.070 -1.028 0.000 2.878 95 H HA 0.407 4.962 4.556 -0.001 0.000 0.290 95 H C 1.378 176.483 175.328 -0.372 0.000 1.065 95 H CA 1.064 56.622 56.048 -0.816 0.000 1.477 95 H CB 0.448 29.587 29.762 -1.037 0.000 1.484 95 H HN 0.782 nan 8.280 nan 0.000 0.504 96 G N 4.704 113.461 108.800 -0.072 0.000 2.218 96 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.216 96 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.216 96 G C -0.062 174.730 174.900 -0.180 0.000 0.994 96 G CA 0.115 45.196 45.100 -0.031 0.000 0.637 96 G HN 0.481 nan 8.290 nan 0.000 0.505 100 K N 2.358 122.785 120.400 0.045 0.000 2.395 100 K HA 0.004 4.323 4.320 -0.001 0.000 0.283 100 K C 0.181 176.848 176.600 0.112 0.000 1.068 100 K CA 0.865 57.179 56.287 0.045 0.000 1.039 100 K CB 0.055 32.563 32.500 0.013 0.000 0.924 100 K HN 0.216 nan 8.250 nan 0.000 0.468 101 D N 2.478 122.972 120.400 0.157 0.000 2.955 101 D HA -0.185 4.454 4.640 -0.001 0.000 0.226 101 D C -0.418 175.979 176.300 0.161 0.000 1.178 101 D CA 1.750 55.841 54.000 0.150 0.000 0.808 101 D CB -1.331 39.529 40.800 0.099 0.000 1.099 101 D HN 0.750 nan 8.370 nan 0.000 0.421 102 T N -3.306 111.379 114.554 0.219 0.000 3.415 102 T HA 0.151 4.500 4.350 -0.001 0.000 0.282 102 T C 1.041 175.932 174.700 0.319 0.000 1.007 102 T CA -0.165 62.090 62.100 0.259 0.000 0.958 102 T CB 0.330 69.328 68.868 0.216 0.000 1.171 102 T HN 0.156 nan 8.240 nan 0.000 0.500 103 N N 0.814 119.652 118.700 0.231 0.000 2.111 103 N HA -0.170 4.570 4.740 -0.001 0.000 0.197 103 N C 1.083 176.618 175.510 0.043 0.000 1.011 103 N CA 1.285 54.336 53.050 0.002 0.000 0.880 103 N CB -0.142 38.132 38.487 -0.356 0.000 1.031 103 N HN 0.335 nan 8.380 nan 0.000 0.444 104 L N 0.485 121.750 121.223 0.071 0.000 2.551 104 L HA -0.028 4.311 4.340 -0.001 0.000 0.228 104 L C 1.384 178.264 176.870 0.017 0.000 1.153 104 L CA 0.998 55.852 54.840 0.022 0.000 0.851 104 L CB -0.554 41.477 42.059 -0.047 0.000 0.959 104 L HN 0.301 nan 8.230 nan 0.000 0.451 105 H N -2.256 116.972 119.070 0.263 0.000 2.517 105 H HA 0.067 4.622 4.556 -0.001 0.000 0.282 105 H C 0.954 176.625 175.328 0.571 0.000 1.023 105 H CA 0.142 56.459 56.048 0.448 0.000 1.169 105 H CB 0.398 30.405 29.762 0.408 0.000 1.454 105 H HN 0.280 nan 8.280 nan 0.000 0.556 106 D N 0.618 121.317 120.400 0.499 0.000 2.264 106 D HA -0.058 4.582 4.640 -0.001 0.000 0.208 106 D C 1.761 178.342 176.300 0.467 0.000 0.966 106 D CA 1.056 55.359 54.000 0.506 0.000 0.864 106 D CB 0.008 41.087 40.800 0.465 0.000 0.933 106 D HN 0.534 nan 8.370 nan 0.000 0.499 107 G N -0.557 108.498 108.800 0.426 0.000 2.160 107 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.251 107 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.251 107 G C 0.306 175.297 174.900 0.152 0.000 1.008 107 G CA 0.350 45.630 45.100 0.300 0.000 0.724 107 G HN 0.691 nan 8.290 nan 0.000 0.514 108 A N 0.937 123.807 122.820 0.083 0.000 2.621 108 A HA 0.585 4.905 4.320 -0.001 0.000 0.329 108 A C 0.756 178.300 177.584 -0.067 0.000 1.458 108 A CA 0.025 51.989 52.037 -0.121 0.000 1.052 108 A CB -0.360 18.507 19.000 -0.222 0.000 1.142 108 A HN 0.889 nan 8.150 nan 0.000 0.523 109 N N 1.657 120.339 118.700 -0.029 0.000 2.412 109 N HA 0.284 5.023 4.740 -0.001 0.000 0.254 109 N C 0.968 176.532 175.510 0.089 0.000 1.232 109 N CA 0.331 53.381 53.050 0.001 0.000 0.880 109 N CB 0.616 39.040 38.487 -0.105 0.000 1.076 109 N HN 0.989 nan 8.380 nan 0.000 0.458 110 G N 0.221 109.088 108.800 0.112 0.000 2.225 110 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.254 110 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.254 110 G C 0.451 175.371 174.900 0.033 0.000 0.988 110 G CA 0.434 45.599 45.100 0.108 0.000 0.625 110 G HN 0.517 nan 8.290 nan 0.000 0.527 111 V N 0.277 120.188 119.914 -0.006 0.000 3.001 111 V HA 0.214 4.333 4.120 -0.001 0.000 0.228 111 V C 2.470 178.561 176.094 -0.006 0.000 1.204 111 V CA 2.541 64.806 62.300 -0.059 0.000 1.247 111 V CB 0.140 31.863 31.823 -0.166 0.000 1.093 111 V HN 0.780 nan 8.190 nan 0.000 0.504 112 T N -0.937 113.627 114.554 0.017 0.000 3.054 112 T HA 0.313 4.663 4.350 -0.001 0.000 0.255 112 T C 0.217 175.065 174.700 0.247 0.000 1.035 112 T CA 0.285 62.417 62.100 0.052 0.000 0.941 112 T CB -0.102 68.771 68.868 0.008 0.000 1.026 112 T HN 0.746 nan 8.240 nan 0.000 0.533 113 E N -0.790 119.561 120.200 0.252 0.000 2.389 113 E HA 0.442 4.791 4.350 -0.001 0.000 0.281 113 E C -1.517 175.052 176.600 -0.051 0.000 1.072 113 E CA -1.187 55.306 56.400 0.156 0.000 0.845 113 E CB 0.320 30.063 29.700 0.071 0.000 1.239 113 E HN 0.084 nan 8.360 nan 0.000 0.434 114 c N 1.982 120.419 118.600 -0.271 0.000 2.595 114 c HA 0.453 5.022 4.570 -0.001 0.000 0.384 114 c C -2.014 171.825 174.090 -0.418 0.000 1.289 114 c CA -0.846 55.287 56.329 -0.326 0.000 2.372 114 c CB -0.354 41.994 42.510 -0.270 0.000 2.593 114 c HN 0.617 nan 8.230 nan 0.000 0.639 115 P HA 0.196 nan 4.420 nan 0.000 0.271 115 P C -0.571 176.427 177.300 -0.503 0.000 1.218 115 P CA 0.112 62.738 63.100 -0.791 0.000 0.780 115 P CB 0.227 31.045 31.700 -1.470 0.000 0.901 116 I N 5.012 125.411 120.570 -0.284 0.000 2.517 116 I HA 0.102 4.271 4.170 -0.001 0.000 0.285 116 I C -1.686 174.397 176.117 -0.057 0.000 1.106 116 I CA -1.795 59.438 61.300 -0.112 0.000 1.402 116 I CB 0.293 38.252 38.000 -0.069 0.000 1.399 116 I HN 0.212 nan 8.210 nan 0.000 0.535 117 P HA 0.178 nan 4.420 nan 0.000 0.272 117 P C -2.537 174.662 177.300 -0.169 0.000 1.230 117 P CA -1.343 61.791 63.100 0.057 0.000 0.788 117 P CB -0.068 31.653 31.700 0.035 0.000 0.949 118 P HA 0.085 nan 4.420 nan 0.000 0.297 118 P C -0.336 176.839 177.300 -0.209 0.000 1.303 118 P CA -0.198 62.743 63.100 -0.264 0.000 0.753 118 P CB 0.242 31.772 31.700 -0.283 0.000 1.281 119 K N -1.836 118.494 120.400 -0.117 0.000 3.088 119 K HA -0.178 4.141 4.320 -0.001 0.000 0.273 119 K C 0.804 177.379 176.600 -0.042 0.000 1.111 119 K CA 0.713 56.962 56.287 -0.062 0.000 0.803 119 K CB -2.401 30.069 32.500 -0.051 0.000 1.226 119 K HN 0.977 nan 8.250 nan 0.000 0.485 120 G N -1.435 107.341 108.800 -0.039 0.000 2.205 120 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.180 120 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.180 120 G C 0.364 175.255 174.900 -0.015 0.000 1.004 120 G CA -0.232 44.859 45.100 -0.016 0.000 0.670 120 G HN 0.686 nan 8.290 nan 0.000 0.496 121 G N 0.023 108.805 108.800 -0.031 0.000 2.559 121 G HA2 0.536 4.496 3.960 -0.001 0.000 0.235 121 G HA3 0.536 4.496 3.960 -0.001 0.000 0.235 121 G C 0.079 174.975 174.900 -0.007 0.000 1.266 121 G CA 1.006 46.095 45.100 -0.018 0.000 0.847 121 G HN 1.253 nan 8.290 nan 0.000 0.583 122 Q N 0.036 119.832 119.800 -0.006 0.000 2.416 122 Q HA 0.718 5.058 4.340 -0.001 0.000 0.281 122 Q C -1.183 174.800 176.000 -0.029 0.000 1.067 122 Q CA -1.227 54.575 55.803 -0.001 0.000 0.809 122 Q CB 2.408 31.151 28.738 0.008 0.000 1.418 122 Q HN 0.532 nan 8.270 nan 0.000 0.411 123 R N 1.194 121.669 120.500 -0.041 0.000 2.604 123 R HA 0.431 4.770 4.340 -0.001 0.000 0.270 123 R C -1.679 174.550 176.300 -0.119 0.000 1.052 123 R CA -0.300 55.724 56.100 -0.127 0.000 0.902 123 R CB 2.726 32.873 30.300 -0.254 0.000 1.233 123 R HN 0.889 nan 8.270 nan 0.000 0.455 124 T N 4.169 118.650 114.554 -0.123 0.000 2.772 124 T HA 0.403 4.753 4.350 -0.001 0.000 0.288 124 T C -0.865 173.817 174.700 -0.030 0.000 0.994 124 T CA -0.240 61.836 62.100 -0.041 0.000 0.951 124 T CB 0.228 69.084 68.868 -0.020 0.000 0.933 124 T HN 0.261 nan 8.240 nan 0.000 0.447 125 Y N 2.344 122.713 120.300 0.115 0.000 2.304 125 Y HA 0.534 5.084 4.550 -0.001 0.000 0.328 125 Y C 0.887 176.764 175.900 -0.038 0.000 1.123 125 Y CA -0.695 57.559 58.100 0.256 0.000 1.218 125 Y CB 0.891 39.533 38.460 0.304 0.000 1.207 125 Y HN 0.422 nan 8.280 nan 0.000 0.495 126 R N 5.100 125.601 120.500 0.001 0.000 2.538 126 R HA 0.403 4.743 4.340 -0.001 0.000 0.292 126 R C -1.989 174.088 176.300 -0.372 0.000 1.008 126 R CA -0.596 55.298 56.100 -0.343 0.000 0.896 126 R CB 1.290 31.431 30.300 -0.265 0.000 1.187 126 R HN 0.894 nan 8.270 nan 0.000 0.440 127 W N 2.779 123.875 121.300 -0.340 0.000 3.118 127 W HA 0.499 5.159 4.660 -0.000 0.000 0.328 127 W C -1.548 174.866 176.519 -0.175 0.000 1.239 127 W CA -1.225 55.958 57.345 -0.269 0.000 1.176 127 W CB 0.688 29.987 29.460 -0.269 0.000 1.433 127 W HN 0.436 nan 8.180 nan 0.000 0.562 128 R N 1.770 122.418 120.500 0.247 0.000 2.349 128 R HA 0.540 4.880 4.340 -0.001 0.000 0.299 128 R C -0.157 176.349 176.300 0.343 0.000 1.027 128 R CA -0.108 56.096 56.100 0.172 0.000 0.958 128 R CB 1.289 31.656 30.300 0.111 0.000 1.047 128 R HN 0.549 nan 8.270 nan 0.000 0.468 129 A N 5.359 128.343 122.820 0.273 0.000 2.807 129 A HA 0.218 4.537 4.320 -0.001 0.000 0.307 129 A C 0.127 177.908 177.584 0.327 0.000 1.532 129 A CA -0.344 51.903 52.037 0.350 0.000 1.215 129 A CB -0.202 18.976 19.000 0.296 0.000 1.127 129 A HN 0.889 nan 8.150 nan 0.000 0.543 130 R N 0.502 121.168 120.500 0.278 0.000 2.334 130 R HA 0.133 4.473 4.340 -0.001 0.000 0.220 130 R C 0.087 176.566 176.300 0.299 0.000 0.917 130 R CA 0.253 56.554 56.100 0.334 0.000 1.073 130 R CB 0.283 30.723 30.300 0.232 0.000 1.056 130 R HN 0.790 nan 8.270 nan 0.000 0.506 131 Q N 0.325 120.177 119.800 0.087 0.000 2.315 131 Q HA 0.248 4.587 4.340 -0.001 0.000 0.273 131 Q C -1.713 174.053 176.000 -0.391 0.000 1.053 131 Q CA -0.993 54.620 55.803 -0.316 0.000 0.817 131 Q CB 1.752 30.302 28.738 -0.313 0.000 1.326 131 Q HN 0.140 nan 8.270 nan 0.000 0.423 132 Y N 0.716 120.601 120.300 -0.693 0.000 2.420 132 Y HA 0.984 5.534 4.550 -0.001 0.000 0.334 132 Y C 0.445 176.086 175.900 -0.432 0.000 1.094 132 Y CA -0.104 57.667 58.100 -0.549 0.000 1.126 132 Y CB 1.639 39.628 38.460 -0.785 0.000 1.217 132 Y HN 0.748 nan 8.280 nan 0.000 0.462 133 G N 0.474 109.182 108.800 -0.153 0.000 2.302 133 G HA2 0.276 4.236 3.960 -0.001 0.000 0.264 133 G HA3 0.276 4.236 3.960 -0.001 0.000 0.264 133 G C -1.539 173.317 174.900 -0.074 0.000 1.335 133 G CA -0.709 44.301 45.100 -0.150 0.000 0.982 133 G HN 0.721 nan 8.290 nan 0.000 0.473 134 T N 1.164 115.669 114.554 -0.081 0.000 2.791 134 T HA 0.785 5.135 4.350 -0.001 0.000 0.288 134 T C -0.063 174.617 174.700 -0.033 0.000 0.999 134 T CA 0.083 62.159 62.100 -0.040 0.000 0.952 134 T CB 1.375 70.212 68.868 -0.053 0.000 0.938 134 T HN 0.721 nan 8.240 nan 0.000 0.444 135 S N 2.037 117.756 115.700 0.032 0.000 2.900 135 S HA 0.858 5.327 4.470 -0.001 0.000 0.320 135 S C -1.525 173.198 174.600 0.204 0.000 1.130 135 S CA -0.944 57.314 58.200 0.098 0.000 0.863 135 S CB 1.470 64.700 63.200 0.051 0.000 1.295 135 S HN 0.813 nan 8.310 nan 0.000 0.596 136 W N 0.552 121.776 121.300 -0.126 0.000 3.025 136 W HA 0.677 5.337 4.660 -0.001 0.000 0.343 136 W C -2.463 173.993 176.519 -0.105 0.000 1.246 136 W CA -1.255 55.984 57.345 -0.177 0.000 1.178 136 W CB -0.111 29.160 29.460 -0.317 0.000 1.463 136 W HN 0.759 nan 8.180 nan 0.000 0.578 137 Y N -0.160 120.063 120.300 -0.128 0.000 2.605 137 Y HA 0.822 5.372 4.550 -0.001 0.000 0.343 137 Y C -0.871 174.751 175.900 -0.463 0.000 1.036 137 Y CA -1.402 56.389 58.100 -0.515 0.000 1.065 137 Y CB 1.709 39.951 38.460 -0.363 0.000 1.288 137 Y HN 0.767 nan 8.280 nan 0.000 0.481 138 H N -1.958 116.835 119.070 -0.462 0.000 3.024 138 H HA 0.496 5.052 4.556 -0.001 0.000 0.324 138 H C -1.258 173.913 175.328 -0.262 0.000 1.347 138 H CA -0.941 54.877 56.048 -0.383 0.000 1.182 138 H CB 0.858 30.132 29.762 -0.813 0.000 1.889 138 H HN 0.804 nan 8.280 nan 0.000 0.528 139 S N -0.189 115.567 115.700 0.094 0.000 2.573 139 S HA 0.003 4.472 4.470 -0.001 0.000 0.277 139 S C 0.098 174.831 174.600 0.222 0.000 1.346 139 S CA -0.175 58.102 58.200 0.128 0.000 1.034 139 S CB 0.067 63.390 63.200 0.204 0.000 0.879 139 S HN 0.805 nan 8.310 nan 0.000 0.528 140 H N 2.960 122.119 119.070 0.148 0.000 2.581 140 H HA 0.246 4.801 4.556 -0.001 0.000 0.275 140 H C -0.814 174.622 175.328 0.181 0.000 1.126 140 H CA -0.413 55.731 56.048 0.159 0.000 1.097 140 H CB -0.154 29.636 29.762 0.046 0.000 1.626 140 H HN 0.586 nan 8.280 nan 0.000 0.565 141 F N 1.924 121.964 119.950 0.150 0.000 2.464 141 F HA 0.200 4.726 4.527 -0.000 0.000 0.353 141 F C 1.048 176.978 175.800 0.216 0.000 1.191 141 F CA 0.185 58.225 58.000 0.066 0.000 1.147 141 F CB -0.058 38.866 39.000 -0.127 0.000 1.294 141 F HN 0.067 nan 8.300 nan 0.000 0.583 142 S N 2.838 118.599 115.700 0.101 0.000 4.046 142 S HA -0.354 4.115 4.470 -0.001 0.000 0.572 142 S C 0.994 175.707 174.600 0.189 0.000 2.022 142 S CA 1.356 59.644 58.200 0.147 0.000 4.201 142 S CB -1.382 61.895 63.200 0.129 0.000 0.438 142 S HN 1.028 nan 8.310 nan 0.000 0.618 143 A N 0.751 123.679 122.820 0.180 0.000 2.507 143 A HA 0.335 4.654 4.320 -0.001 0.000 0.270 143 A C 1.516 179.156 177.584 0.094 0.000 1.318 143 A CA 0.911 53.007 52.037 0.098 0.000 0.924 143 A CB -0.291 18.797 19.000 0.145 0.000 1.061 143 A HN 0.586 nan 8.150 nan 0.000 0.516 144 Q N -0.369 119.566 119.800 0.224 0.000 2.197 144 Q HA -0.262 4.077 4.340 -0.001 0.000 0.207 144 Q C 1.633 177.744 176.000 0.185 0.000 0.984 144 Q CA 2.318 58.261 55.803 0.232 0.000 0.869 144 Q CB -0.399 28.535 28.738 0.327 0.000 0.906 144 Q HN 0.965 nan 8.270 nan 0.000 0.426 145 Y N -1.906 118.455 120.300 0.101 0.000 2.333 145 Y HA 0.046 4.595 4.550 -0.001 0.000 0.290 145 Y C 1.818 177.762 175.900 0.072 0.000 1.144 145 Y CA 1.124 59.268 58.100 0.074 0.000 1.228 145 Y CB -0.964 37.528 38.460 0.053 0.000 0.985 145 Y HN 0.023 nan 8.280 nan 0.000 0.542 146 G N 0.639 109.264 108.800 -0.292 0.000 2.535 146 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.218 146 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.218 146 G C 1.186 176.103 174.900 0.029 0.000 1.122 146 G CA 0.756 45.754 45.100 -0.169 0.000 0.769 146 G HN 0.438 nan 8.290 nan 0.000 0.549 147 N N 0.059 118.787 118.700 0.046 0.000 2.280 147 N HA 0.164 4.904 4.740 -0.001 0.000 0.192 147 N C 1.553 177.060 175.510 -0.006 0.000 1.109 147 N CA 0.878 53.951 53.050 0.039 0.000 0.855 147 N CB 0.747 39.262 38.487 0.046 0.000 0.974 147 N HN 0.397 nan 8.380 nan 0.000 0.482 148 G N -0.818 108.002 108.800 0.032 0.000 2.273 148 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.162 148 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.162 148 G C -0.280 174.635 174.900 0.025 0.000 1.006 148 G CA -0.343 44.754 45.100 -0.006 0.000 0.704 148 G HN 0.097 nan 8.290 nan 0.000 0.487 149 V N 1.545 121.512 119.914 0.089 0.000 2.223 149 V HA 0.608 4.728 4.120 -0.001 0.000 0.249 149 V C 0.284 176.463 176.094 0.141 0.000 1.233 149 V CA 0.183 62.544 62.300 0.101 0.000 1.131 149 V CB 0.644 32.537 31.823 0.117 0.000 1.298 149 V HN 0.815 nan 8.190 nan 0.000 0.498 150 V N 3.202 123.149 119.914 0.055 0.000 3.023 150 V HA 0.980 5.099 4.120 -0.001 0.000 0.294 150 V C -0.182 175.714 176.094 -0.329 0.000 1.324 150 V CA 0.552 62.827 62.300 -0.042 0.000 0.979 150 V CB 2.218 34.132 31.823 0.151 0.000 1.093 150 V HN 0.787 nan 8.190 nan 0.000 0.434 151 G N 2.682 110.930 108.800 -0.921 0.000 2.548 151 G HA2 0.725 4.684 3.960 -0.001 0.000 0.301 151 G HA3 0.725 4.684 3.960 -0.001 0.000 0.301 151 G C -0.637 173.773 174.900 -0.817 0.000 1.349 151 G CA 0.171 44.705 45.100 -0.945 0.000 0.792 151 G HN 1.436 nan 8.290 nan 0.000 0.481 152 T N -2.015 112.373 114.554 -0.276 0.000 2.940 152 T HA 0.794 5.144 4.350 -0.001 0.000 0.288 152 T C -0.527 174.298 174.700 0.208 0.000 1.033 152 T CA -0.677 61.418 62.100 -0.009 0.000 1.033 152 T CB 1.785 70.655 68.868 0.003 0.000 1.079 152 T HN 0.519 nan 8.240 nan 0.000 0.496 153 I N 1.245 121.942 120.570 0.212 0.000 2.499 153 I HA 0.386 4.556 4.170 -0.001 0.000 0.288 153 I C -0.475 175.734 176.117 0.155 0.000 1.048 153 I CA -0.702 60.748 61.300 0.250 0.000 1.062 153 I CB 2.268 40.454 38.000 0.310 0.000 1.238 153 I HN 0.682 nan 8.210 nan 0.000 0.426 154 Q N 6.889 126.778 119.800 0.147 0.000 2.363 154 Q HA 0.452 4.792 4.340 -0.001 0.000 0.265 154 Q C -1.454 174.622 176.000 0.127 0.000 1.032 154 Q CA -0.671 55.197 55.803 0.108 0.000 0.746 154 Q CB 1.268 30.064 28.738 0.095 0.000 1.237 154 Q HN 0.494 nan 8.270 nan 0.000 0.475 155 I N 3.927 124.560 120.570 0.106 0.000 2.297 155 I HA 0.251 4.420 4.170 -0.001 0.000 0.291 155 I C 0.061 176.215 176.117 0.061 0.000 1.033 155 I CA -0.504 60.864 61.300 0.113 0.000 1.253 155 I CB 0.469 38.541 38.000 0.121 0.000 1.396 155 I HN 0.616 nan 8.210 nan 0.000 0.476 156 N N 4.496 123.246 118.700 0.084 0.000 2.482 156 N HA 0.614 5.353 4.740 -0.001 0.000 0.260 156 N C 0.460 175.733 175.510 -0.395 0.000 1.236 156 N CA 0.182 53.241 53.050 0.015 0.000 0.938 156 N CB 2.000 40.629 38.487 0.236 0.000 1.128 156 N HN 0.877 nan 8.380 nan 0.000 0.448 157 G N 0.239 108.477 108.800 -0.937 0.000 2.320 157 G HA2 0.248 4.207 3.960 -0.001 0.000 0.296 157 G HA3 0.248 4.207 3.960 -0.001 0.000 0.296 157 G C -3.179 170.997 174.900 -1.207 0.000 1.306 157 G CA -0.652 43.244 45.100 -2.007 0.000 0.836 157 G HN 0.305 nan 8.290 nan 0.000 0.517 158 P HA 0.533 nan 4.420 nan 0.000 0.274 158 P C -0.274 176.934 177.300 -0.154 0.000 1.260 158 P CA 0.300 63.225 63.100 -0.291 0.000 0.793 158 P CB 1.442 33.045 31.700 -0.160 0.000 1.048 159 A N -0.174 122.678 122.820 0.054 0.000 2.569 159 A HA 0.507 4.826 4.320 -0.001 0.000 0.290 159 A C 0.675 178.337 177.584 0.131 0.000 1.136 159 A CA -0.105 52.017 52.037 0.141 0.000 0.710 159 A CB 0.585 19.759 19.000 0.291 0.000 1.303 159 A HN 0.462 nan 8.150 nan 0.000 0.413 160 S N -0.717 115.061 115.700 0.130 0.000 2.575 160 S HA 0.449 4.919 4.470 -0.001 0.000 0.215 160 S C -0.065 174.599 174.600 0.107 0.000 0.966 160 S CA 0.291 58.555 58.200 0.108 0.000 0.911 160 S CB -0.401 62.855 63.200 0.093 0.000 0.780 160 S HN 0.681 nan 8.310 nan 0.000 0.514 161 L N 1.920 123.228 121.223 0.142 0.000 2.445 161 L HA 0.629 4.968 4.340 -0.001 0.000 0.262 161 L C -2.713 174.258 176.870 0.167 0.000 0.974 161 L CA -1.993 52.930 54.840 0.138 0.000 0.822 161 L CB 2.039 44.178 42.059 0.134 0.000 1.339 161 L HN -0.148 nan 8.230 nan 0.000 0.409 162 P HA 0.292 nan 4.420 nan 0.000 0.269 162 P C -1.785 175.578 177.300 0.104 0.000 1.215 162 P CA 0.264 63.369 63.100 0.008 0.000 0.780 162 P CB 0.377 32.072 31.700 -0.009 0.000 0.898 163 Y N -1.862 118.442 120.300 0.006 0.000 2.641 163 Y HA 0.426 4.975 4.550 -0.001 0.000 0.333 163 Y C 0.006 175.884 175.900 -0.038 0.000 1.174 163 Y CA -0.901 57.190 58.100 -0.016 0.000 1.057 163 Y CB 0.092 38.549 38.460 -0.004 0.000 1.322 163 Y HN 0.138 nan 8.280 nan 0.000 0.457 164 D N 1.242 121.693 120.400 0.085 0.000 2.338 164 D HA 0.231 4.871 4.640 -0.001 0.000 0.224 164 D C 0.031 176.348 176.300 0.027 0.000 0.967 164 D CA 1.187 55.171 54.000 -0.027 0.000 0.896 164 D CB 1.296 42.039 40.800 -0.094 0.000 1.028 164 D HN 0.479 nan 8.370 nan 0.000 0.493 165 I N 1.215 121.823 120.570 0.063 0.000 2.498 165 I HA 0.119 4.289 4.170 -0.001 0.000 0.290 165 I C -0.807 175.390 176.117 0.134 0.000 1.032 165 I CA -0.802 60.523 61.300 0.043 0.000 1.073 165 I CB 2.768 40.693 38.000 -0.126 0.000 1.251 165 I HN -0.313 nan 8.210 nan 0.000 0.426 166 D N 6.596 127.085 120.400 0.149 0.000 2.411 166 D HA 0.258 4.897 4.640 -0.001 0.000 0.225 166 D C 0.840 177.154 176.300 0.023 0.000 1.156 166 D CA -0.082 53.959 54.000 0.068 0.000 0.874 166 D CB 1.127 42.015 40.800 0.148 0.000 1.034 166 D HN 0.440 nan 8.370 nan 0.000 0.502 167 L N 2.916 124.128 121.223 -0.019 0.000 2.362 167 L HA 0.097 4.437 4.340 -0.001 0.000 0.219 167 L C 1.686 178.529 176.870 -0.045 0.000 1.134 167 L CA 0.637 55.450 54.840 -0.045 0.000 0.807 167 L CB -0.718 41.274 42.059 -0.112 0.000 0.927 167 L HN 0.664 nan 8.230 nan 0.000 0.447 168 G N -0.121 108.661 108.800 -0.030 0.000 2.542 168 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.235 168 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.235 168 G C -0.186 174.716 174.900 0.004 0.000 1.286 168 G CA -0.250 44.851 45.100 0.001 0.000 0.904 168 G HN 0.271 nan 8.290 nan 0.000 0.577 169 V N -2.934 117.000 119.914 0.034 0.000 2.732 169 V HA 0.783 4.903 4.120 -0.001 0.000 0.297 169 V C 0.111 176.290 176.094 0.142 0.000 1.060 169 V CA -0.200 62.132 62.300 0.053 0.000 1.038 169 V CB 1.558 33.396 31.823 0.026 0.000 1.003 169 V HN 1.558 nan 8.190 nan 0.000 0.481 170 F N 5.721 125.602 119.950 -0.116 0.000 2.872 170 F HA 0.556 5.083 4.527 -0.001 0.000 0.363 170 F C -2.672 173.035 175.800 -0.156 0.000 1.357 170 F CA -2.586 55.326 58.000 -0.147 0.000 1.174 170 F CB 1.628 40.527 39.000 -0.168 0.000 1.860 170 F HN 0.474 nan 8.300 nan 0.000 0.615 171 P HA 0.364 nan 4.420 nan 0.000 0.281 171 P C -0.507 176.570 177.300 -0.372 0.000 1.252 171 P CA 0.106 63.038 63.100 -0.280 0.000 0.778 171 P CB 1.745 33.306 31.700 -0.231 0.000 0.895 172 I N 2.057 122.429 120.570 -0.329 0.000 2.465 172 I HA 0.469 4.639 4.170 -0.001 0.000 0.291 172 I C 0.399 176.413 176.117 -0.172 0.000 1.014 172 I CA -0.348 60.732 61.300 -0.366 0.000 1.093 172 I CB 2.365 40.076 38.000 -0.480 0.000 1.267 172 I HN 0.256 nan 8.210 nan 0.000 0.431 173 T N 3.395 117.872 114.554 -0.129 0.000 2.916 173 T HA 0.310 4.660 4.350 -0.001 0.000 0.305 173 T C -1.296 173.508 174.700 0.173 0.000 1.119 173 T CA -0.766 61.384 62.100 0.084 0.000 1.008 173 T CB 1.162 70.034 68.868 0.007 0.000 1.129 173 T HN 0.687 nan 8.240 nan 0.000 0.480 174 D N 1.910 122.482 120.400 0.287 0.000 2.368 174 D HA 0.231 4.870 4.640 -0.001 0.000 0.240 174 D C -0.821 175.497 176.300 0.030 0.000 1.169 174 D CA 0.086 54.157 54.000 0.119 0.000 0.906 174 D CB 0.248 41.069 40.800 0.035 0.000 1.187 174 D HN 0.454 nan 8.370 nan 0.000 0.435 175 Y N 0.348 120.412 120.300 -0.394 0.000 2.361 175 Y HA 0.386 4.935 4.550 -0.001 0.000 0.328 175 Y C -1.943 173.638 175.900 -0.532 0.000 1.044 175 Y CA -1.141 56.791 58.100 -0.280 0.000 1.085 175 Y CB 0.997 39.382 38.460 -0.125 0.000 1.194 175 Y HN 0.345 nan 8.280 nan 0.000 0.438 176 Y N 4.942 124.977 120.300 -0.442 0.000 2.468 176 Y HA 0.313 4.862 4.550 -0.001 0.000 0.342 176 Y C -0.078 175.502 175.900 -0.533 0.000 1.021 176 Y CA -0.782 57.048 58.100 -0.451 0.000 1.079 176 Y CB 1.002 39.372 38.460 -0.150 0.000 1.226 176 Y HN 0.593 nan 8.280 nan 0.000 0.460 177 Y N -0.437 119.788 120.300 -0.124 0.000 2.337 177 Y HA 0.072 4.622 4.550 -0.001 0.000 0.293 177 Y C 1.109 176.986 175.900 -0.039 0.000 1.123 177 Y CA 0.156 58.185 58.100 -0.119 0.000 1.201 177 Y CB -0.098 38.321 38.460 -0.068 0.000 1.011 177 Y HN 0.279 nan 8.280 nan 0.000 0.545 178 R N 0.944 121.508 120.500 0.107 0.000 2.539 178 R HA 0.428 4.767 4.340 -0.001 0.000 0.275 178 R C 0.287 176.613 176.300 0.043 0.000 1.077 178 R CA -0.046 56.080 56.100 0.043 0.000 1.097 178 R CB 0.481 30.755 30.300 -0.043 0.000 1.018 178 R HN 0.130 nan 8.270 nan 0.000 0.483 179 A N 1.362 124.204 122.820 0.036 0.000 2.332 179 A HA 0.424 4.744 4.320 -0.001 0.000 0.258 179 A C 1.254 178.865 177.584 0.044 0.000 1.087 179 A CA 0.352 52.419 52.037 0.050 0.000 0.802 179 A CB 0.410 19.440 19.000 0.050 0.000 1.042 179 A HN 0.821 nan 8.150 nan 0.000 0.489 180 A N 0.188 123.057 122.820 0.082 0.000 1.908 180 A HA -0.153 4.167 4.320 -0.001 0.000 0.218 180 A C 1.560 179.219 177.584 0.125 0.000 1.181 180 A CA 2.030 54.144 52.037 0.130 0.000 0.627 180 A CB -0.597 18.486 19.000 0.140 0.000 0.818 180 A HN 0.830 nan 8.150 nan 0.000 0.445 181 D N -0.045 120.420 120.400 0.108 0.000 2.178 181 D HA -0.115 4.524 4.640 -0.001 0.000 0.202 181 D C 1.067 177.413 176.300 0.076 0.000 0.974 181 D CA 1.245 55.309 54.000 0.107 0.000 0.841 181 D CB -0.299 40.554 40.800 0.088 0.000 0.953 181 D HN 0.401 nan 8.370 nan 0.000 0.478 182 D N 0.716 121.136 120.400 0.034 0.000 2.117 182 D HA -0.071 4.569 4.640 -0.001 0.000 0.198 182 D C 2.409 178.716 176.300 0.013 0.000 0.982 182 D CA 0.385 54.400 54.000 0.025 0.000 0.828 182 D CB -0.163 40.630 40.800 -0.011 0.000 0.967 182 D HN 0.255 nan 8.370 nan 0.000 0.464 183 L N 0.354 121.512 121.223 -0.109 0.000 2.093 183 L HA -0.109 4.231 4.340 -0.001 0.000 0.208 183 L C 2.554 179.206 176.870 -0.363 0.000 1.085 183 L CA 0.391 55.009 54.840 -0.370 0.000 0.755 183 L CB -0.293 41.298 42.059 -0.781 0.000 0.904 183 L HN -0.090 nan 8.230 nan 0.000 0.435 184 V N -0.435 119.424 119.914 -0.092 0.000 2.295 184 V HA -0.341 3.779 4.120 -0.001 0.000 0.246 184 V C 2.494 178.625 176.094 0.062 0.000 1.049 184 V CA 2.229 64.562 62.300 0.056 0.000 1.024 184 V CB -0.675 31.260 31.823 0.187 0.000 0.648 184 V HN 0.519 nan 8.190 nan 0.000 0.447 185 H N -0.541 118.543 119.070 0.024 0.000 2.319 185 H HA -0.257 4.299 4.556 -0.000 0.000 0.299 185 H C 1.984 177.333 175.328 0.035 0.000 1.092 185 H CA 2.458 58.527 56.048 0.036 0.000 1.302 185 H CB -0.347 29.439 29.762 0.039 0.000 1.373 185 H HN 0.355 nan 8.280 nan 0.000 0.497 186 F N 1.245 121.148 119.950 -0.079 0.000 2.069 186 F HA -0.226 4.301 4.527 -0.000 0.000 0.298 186 F C 2.678 178.379 175.800 -0.165 0.000 1.113 186 F CA 2.316 60.235 58.000 -0.135 0.000 1.214 186 F CB -1.005 37.901 39.000 -0.156 0.000 0.978 186 F HN 0.371 nan 8.300 nan 0.000 0.474 187 T N -2.006 112.427 114.554 -0.202 0.000 3.007 187 T HA -0.171 4.178 4.350 -0.001 0.000 0.270 187 T C 1.688 176.383 174.700 -0.008 0.000 1.107 187 T CA 1.268 63.239 62.100 -0.215 0.000 1.118 187 T CB -0.570 68.119 68.868 -0.298 0.000 0.889 187 T HN 0.502 nan 8.240 nan 0.000 0.506 188 Q N 0.973 120.751 119.800 -0.037 0.000 2.224 188 Q HA 0.035 4.375 4.340 -0.001 0.000 0.203 188 Q C 1.351 177.357 176.000 0.010 0.000 0.970 188 Q CA 0.962 56.778 55.803 0.022 0.000 0.865 188 Q CB 0.024 28.714 28.738 -0.081 0.000 0.922 188 Q HN 0.583 nan 8.270 nan 0.000 0.445 189 N N -0.183 118.445 118.700 -0.120 0.000 2.160 189 N HA 0.152 4.891 4.740 -0.001 0.000 0.226 189 N C -0.802 174.665 175.510 -0.071 0.000 1.256 189 N CA 0.107 53.058 53.050 -0.165 0.000 0.890 189 N CB 0.866 39.202 38.487 -0.251 0.000 1.116 189 N HN 0.131 nan 8.380 nan 0.000 0.517 190 N N 0.247 118.922 118.700 -0.041 0.000 2.331 190 N HA 0.283 5.022 4.740 -0.001 0.000 0.280 190 N C -0.895 174.472 175.510 -0.238 0.000 1.155 190 N CA -0.420 52.472 53.050 -0.264 0.000 0.822 190 N CB 2.538 40.298 38.487 -1.211 0.000 1.619 190 N HN -0.059 nan 8.380 nan 0.000 0.476 191 A N 1.920 124.648 122.820 -0.152 0.000 2.555 191 A HA 0.258 4.578 4.320 -0.001 0.000 0.233 191 A C -2.012 175.560 177.584 -0.019 0.000 1.060 191 A CA -0.260 51.679 52.037 -0.162 0.000 0.759 191 A CB -0.589 18.366 19.000 -0.075 0.000 0.995 191 A HN 0.377 nan 8.150 nan 0.000 0.506 192 P HA 0.355 nan 4.420 nan 0.000 0.277 192 P C -2.556 174.853 177.300 0.181 0.000 1.240 192 P CA -1.260 61.893 63.100 0.089 0.000 0.798 192 P CB -0.066 31.709 31.700 0.126 0.000 0.979 193 P HA 0.224 nan 4.420 nan 0.000 0.276 193 P C -0.234 177.289 177.300 0.371 0.000 1.244 193 P CA -0.261 62.936 63.100 0.161 0.000 0.801 193 P CB 0.359 32.077 31.700 0.029 0.000 1.006 194 F N 0.326 120.312 119.950 0.060 0.000 2.539 194 F HA 0.043 4.569 4.527 -0.001 0.000 0.340 194 F C 1.683 177.521 175.800 0.064 0.000 1.185 194 F CA -0.662 57.345 58.000 0.012 0.000 1.333 194 F CB -0.341 38.604 39.000 -0.091 0.000 1.152 194 F HN 0.271 nan 8.300 nan 0.000 0.602 195 S N 0.985 116.730 115.700 0.075 0.000 2.585 195 S HA 0.104 4.573 4.470 -0.001 0.000 0.273 195 S C 0.707 175.161 174.600 -0.242 0.000 1.339 195 S CA -0.763 57.214 58.200 -0.372 0.000 1.028 195 S CB 0.946 63.842 63.200 -0.507 0.000 0.906 195 S HN 0.534 nan 8.310 nan 0.000 0.528 196 D N 0.980 121.124 120.400 -0.426 0.000 2.144 196 D HA 0.028 4.667 4.640 -0.001 0.000 0.200 196 D C 0.482 176.655 176.300 -0.212 0.000 0.978 196 D CA 1.234 54.990 54.000 -0.406 0.000 0.833 196 D CB -0.105 40.050 40.800 -1.076 0.000 0.961 196 D HN 0.515 nan 8.370 nan 0.000 0.470 197 N N -1.249 117.354 118.700 -0.162 0.000 2.934 197 N HA 0.241 4.980 4.740 -0.001 0.000 0.253 197 N C -1.879 173.636 175.510 0.007 0.000 1.466 197 N CA -0.516 52.536 53.050 0.003 0.000 0.858 197 N CB 2.280 40.849 38.487 0.136 0.000 1.459 197 N HN -0.346 nan 8.380 nan 0.000 0.532 198 V N 2.022 121.930 119.914 -0.010 0.000 2.447 198 V HA 0.463 4.582 4.120 -0.001 0.000 0.292 198 V C -0.164 175.846 176.094 -0.141 0.000 1.021 198 V CA -0.655 61.608 62.300 -0.062 0.000 0.850 198 V CB 1.355 33.106 31.823 -0.120 0.000 1.005 198 V HN 0.442 nan 8.190 nan 0.000 0.426 199 L N 5.697 126.820 121.223 -0.165 0.000 2.371 199 L HA 0.574 4.914 4.340 -0.001 0.000 0.272 199 L C -0.442 176.259 176.870 -0.281 0.000 1.124 199 L CA -0.256 54.446 54.840 -0.229 0.000 0.816 199 L CB 1.147 43.048 42.059 -0.263 0.000 1.129 199 L HN 0.462 nan 8.230 nan 0.000 0.448 200 I N 3.228 123.623 120.570 -0.292 0.000 2.439 200 I HA 0.189 4.359 4.170 -0.001 0.000 0.283 200 I C 0.062 175.906 176.117 -0.456 0.000 1.023 200 I CA -0.531 60.502 61.300 -0.446 0.000 1.100 200 I CB 1.424 39.206 38.000 -0.364 0.000 1.238 200 I HN 0.697 nan 8.210 nan 0.000 0.445 201 N N 5.115 123.488 118.700 -0.544 0.000 2.716 201 N HA -0.213 4.526 4.740 -0.001 0.000 0.250 201 N C 0.809 176.208 175.510 -0.185 0.000 1.033 201 N CA 1.404 54.257 53.050 -0.328 0.000 0.727 201 N CB -0.662 37.681 38.487 -0.240 0.000 0.950 201 N HN 1.132 nan 8.380 nan 0.000 0.541 202 G N -2.606 106.082 108.800 -0.186 0.000 2.176 202 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.253 202 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.253 202 G C 0.240 175.053 174.900 -0.145 0.000 0.979 202 G CA 0.904 45.926 45.100 -0.130 0.000 0.641 202 G HN 1.022 nan 8.290 nan 0.000 0.530 203 T N -0.962 113.492 114.554 -0.166 0.000 2.864 203 T HA 0.943 5.293 4.350 -0.001 0.000 0.299 203 T C -0.621 173.983 174.700 -0.161 0.000 1.166 203 T CA 0.827 62.833 62.100 -0.156 0.000 1.007 203 T CB 1.611 70.417 68.868 -0.104 0.000 1.219 203 T HN 1.963 nan 8.240 nan 0.000 0.506 204 A N 1.413 124.135 122.820 -0.164 0.000 2.586 204 A HA 0.664 4.984 4.320 -0.001 0.000 0.291 204 A C -1.609 175.853 177.584 -0.204 0.000 1.062 204 A CA -0.584 51.356 52.037 -0.161 0.000 0.666 204 A CB 0.852 19.774 19.000 -0.131 0.000 1.281 204 A HN 0.776 nan 8.150 nan 0.000 0.421 205 V N 2.228 121.970 119.914 -0.287 0.000 2.481 205 V HA 0.310 4.430 4.120 -0.001 0.000 0.286 205 V C 0.605 176.629 176.094 -0.118 0.000 1.042 205 V CA -0.890 61.241 62.300 -0.281 0.000 0.928 205 V CB 1.564 33.076 31.823 -0.517 0.000 0.986 205 V HN 0.827 nan 8.190 nan 0.000 0.462 206 N N 6.774 125.440 118.700 -0.058 0.000 2.475 206 N HA 0.118 4.857 4.740 -0.001 0.000 0.267 206 N C -1.527 173.991 175.510 0.013 0.000 1.169 206 N CA -1.246 51.815 53.050 0.017 0.000 0.947 206 N CB 1.862 40.369 38.487 0.033 0.000 1.061 206 N HN 0.385 nan 8.380 nan 0.000 0.466 207 P HA -0.001 nan 4.420 nan 0.000 0.241 207 P C 0.263 177.590 177.300 0.046 0.000 1.191 207 P CA 0.671 63.796 63.100 0.042 0.000 0.771 207 P CB 0.617 32.348 31.700 0.052 0.000 0.929 208 N N -0.138 118.590 118.700 0.047 0.000 2.349 208 N HA -0.029 4.710 4.740 -0.001 0.000 0.180 208 N C 1.773 177.298 175.510 0.025 0.000 1.024 208 N CA 2.009 55.083 53.050 0.039 0.000 0.869 208 N CB -0.526 37.987 38.487 0.044 0.000 1.022 208 N HN 0.258 nan 8.380 nan 0.000 0.433 209 T N -3.077 111.487 114.554 0.016 0.000 3.022 209 T HA 0.280 4.630 4.350 -0.001 0.000 0.250 209 T C 1.392 176.091 174.700 -0.001 0.000 1.060 209 T CA 0.753 62.855 62.100 0.003 0.000 1.013 209 T CB 0.435 69.298 68.868 -0.009 0.000 0.982 209 T HN 0.272 nan 8.240 nan 0.000 0.508 210 G N 1.422 110.220 108.800 -0.004 0.000 2.175 210 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.265 210 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.265 210 G C -0.165 174.711 174.900 -0.040 0.000 0.979 210 G CA 0.381 45.471 45.100 -0.017 0.000 0.663 210 G HN 0.683 nan 8.290 nan 0.000 0.533 211 E N -0.149 120.026 120.200 -0.042 0.000 2.374 211 E HA 0.505 4.855 4.350 -0.001 0.000 0.260 211 E C 0.983 177.533 176.600 -0.083 0.000 1.101 211 E CA 0.494 56.861 56.400 -0.055 0.000 0.907 211 E CB 0.878 30.548 29.700 -0.051 0.000 1.014 211 E HN 1.411 nan 8.360 nan 0.000 0.427 212 G N 1.043 109.787 108.800 -0.092 0.000 2.500 212 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.209 212 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.209 212 G C -1.373 173.445 174.900 -0.136 0.000 1.283 212 G CA -0.319 44.710 45.100 -0.119 0.000 0.960 212 G HN 0.613 nan 8.290 nan 0.000 0.528 213 Q N -1.548 118.154 119.800 -0.164 0.000 2.353 213 Q HA 0.630 4.970 4.340 -0.001 0.000 0.275 213 Q C -1.515 174.399 176.000 -0.144 0.000 1.029 213 Q CA -1.150 54.572 55.803 -0.135 0.000 0.848 213 Q CB 1.436 30.143 28.738 -0.051 0.000 1.390 213 Q HN 0.714 nan 8.270 nan 0.000 0.401 214 Y N 1.097 121.428 120.300 0.051 0.000 2.497 214 Y HA 0.360 4.910 4.550 -0.001 0.000 0.334 214 Y C 0.955 176.878 175.900 0.039 0.000 1.199 214 Y CA 0.358 58.509 58.100 0.085 0.000 1.425 214 Y CB 0.712 39.288 38.460 0.192 0.000 1.291 214 Y HN 0.770 nan 8.280 nan 0.000 0.562 215 A N 3.025 125.955 122.820 0.183 0.000 2.565 215 A HA 0.085 4.405 4.320 -0.001 0.000 0.237 215 A C 0.094 177.748 177.584 0.117 0.000 1.053 215 A CA -0.068 52.033 52.037 0.107 0.000 0.755 215 A CB -0.283 18.757 19.000 0.067 0.000 0.980 215 A HN 0.733 nan 8.150 nan 0.000 0.506 216 N N 2.164 120.872 118.700 0.014 0.000 2.540 216 N HA 0.402 5.142 4.740 -0.001 0.000 0.275 216 N C -1.605 173.786 175.510 -0.199 0.000 1.053 216 N CA -0.367 52.642 53.050 -0.068 0.000 0.876 216 N CB 1.441 39.900 38.487 -0.046 0.000 1.284 216 N HN 0.240 nan 8.380 nan 0.000 0.518 217 V N 2.890 122.542 119.914 -0.437 0.000 2.350 217 V HA 0.397 4.517 4.120 -0.001 0.000 0.276 217 V C 0.338 176.149 176.094 -0.471 0.000 1.028 217 V CA -0.489 61.406 62.300 -0.676 0.000 0.860 217 V CB 1.196 32.069 31.823 -1.584 0.000 0.990 217 V HN 0.596 nan 8.190 nan 0.000 0.453 218 T N 7.269 121.664 114.554 -0.265 0.000 2.743 218 T HA 0.519 4.868 4.350 -0.001 0.000 0.293 218 T C -0.080 174.503 174.700 -0.196 0.000 0.945 218 T CA -0.116 61.915 62.100 -0.115 0.000 1.030 218 T CB 0.291 69.166 68.868 0.012 0.000 0.912 218 T HN 0.332 nan 8.240 nan 0.000 0.483 219 L N 3.159 124.214 121.223 -0.280 0.000 2.325 219 L HA 0.410 4.750 4.340 -0.001 0.000 0.279 219 L C 0.666 177.401 176.870 -0.226 0.000 1.054 219 L CA -0.773 53.783 54.840 -0.474 0.000 0.804 219 L CB 1.190 42.774 42.059 -0.791 0.000 1.200 219 L HN 0.533 nan 8.230 nan 0.000 0.436 220 T N 3.249 117.880 114.554 0.129 0.000 2.733 220 T HA 0.274 4.624 4.350 -0.001 0.000 0.294 220 T C -2.399 172.337 174.700 0.060 0.000 0.956 220 T CA -1.254 60.909 62.100 0.105 0.000 0.987 220 T CB 1.027 69.965 68.868 0.117 0.000 0.920 220 T HN 0.286 nan 8.240 nan 0.000 0.470 221 P HA 0.194 nan 4.420 nan 0.000 0.264 221 P C 1.083 178.445 177.300 0.104 0.000 1.193 221 P CA 0.780 63.945 63.100 0.109 0.000 0.763 221 P CB 0.293 32.103 31.700 0.184 0.000 0.810 222 G N 1.164 110.041 108.800 0.128 0.000 2.179 222 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.260 222 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.260 222 G C 0.090 175.027 174.900 0.062 0.000 0.977 222 G CA -0.034 45.121 45.100 0.091 0.000 0.641 222 G HN 0.486 nan 8.290 nan 0.000 0.533 223 K N 0.113 120.554 120.400 0.069 0.000 2.166 223 K HA 0.596 4.915 4.320 -0.001 0.000 0.245 223 K C 0.383 176.969 176.600 -0.025 0.000 0.967 223 K CA -0.837 55.423 56.287 -0.046 0.000 0.863 223 K CB 1.127 33.495 32.500 -0.219 0.000 1.107 223 K HN 0.277 nan 8.250 nan 0.000 0.436 224 R N 1.949 122.394 120.500 -0.093 0.000 2.229 224 R HA 0.281 4.621 4.340 -0.001 0.000 0.328 224 R C -0.630 175.627 176.300 -0.072 0.000 1.009 224 R CA -0.650 55.469 56.100 0.032 0.000 0.864 224 R CB 0.539 30.887 30.300 0.081 0.000 1.085 224 R HN 0.529 nan 8.270 nan 0.000 0.453 225 H N 1.154 120.236 119.070 0.021 0.000 2.505 225 H HA 0.259 4.815 4.556 -0.001 0.000 0.338 225 H C -0.251 175.006 175.328 -0.119 0.000 1.057 225 H CA -0.759 55.274 56.048 -0.026 0.000 1.202 225 H CB 1.396 31.122 29.762 -0.060 0.000 1.466 225 H HN 0.232 nan 8.280 nan 0.000 0.499 226 R N 2.976 123.375 120.500 -0.169 0.000 2.298 226 R HA 0.337 4.677 4.340 -0.001 0.000 0.310 226 R C -1.226 174.965 176.300 -0.182 0.000 1.068 226 R CA -0.763 55.123 56.100 -0.356 0.000 0.957 226 R CB 0.318 30.071 30.300 -0.912 0.000 1.003 226 R HN 0.467 nan 8.270 nan 0.000 0.454 227 L N 4.879 126.018 121.223 -0.140 0.000 2.356 227 L HA 0.439 4.779 4.340 -0.001 0.000 0.277 227 L C -0.766 176.063 176.870 -0.069 0.000 0.996 227 L CA -0.384 54.383 54.840 -0.123 0.000 0.822 227 L CB 1.623 43.596 42.059 -0.143 0.000 1.256 227 L HN 0.608 nan 8.230 nan 0.000 0.413 228 R N 6.495 126.970 120.500 -0.041 0.000 2.346 228 R HA 0.502 4.842 4.340 -0.001 0.000 0.309 228 R C -0.939 175.387 176.300 0.044 0.000 1.119 228 R CA -0.361 55.734 56.100 -0.007 0.000 1.112 228 R CB 0.397 30.685 30.300 -0.020 0.000 1.132 228 R HN 0.564 nan 8.270 nan 0.000 0.538 229 I N 4.578 125.190 120.570 0.069 0.000 2.371 229 I HA 0.228 4.398 4.170 -0.001 0.000 0.290 229 I C -0.338 175.763 176.117 -0.027 0.000 1.028 229 I CA -0.611 60.751 61.300 0.102 0.000 1.345 229 I CB 0.748 38.861 38.000 0.188 0.000 1.407 229 I HN 0.244 nan 8.210 nan 0.000 0.501 230 L N 5.944 127.096 121.223 -0.118 0.000 2.354 230 L HA 0.479 4.819 4.340 -0.001 0.000 0.269 230 L C -0.187 176.485 176.870 -0.330 0.000 1.005 230 L CA -0.571 54.089 54.840 -0.299 0.000 0.819 230 L CB 1.367 43.182 42.059 -0.406 0.000 1.311 230 L HN 0.436 nan 8.230 nan 0.000 0.423 231 N N 0.250 118.673 118.700 -0.462 0.000 2.546 231 N HA 0.236 4.976 4.740 -0.001 0.000 0.238 231 N C 0.116 175.140 175.510 -0.811 0.000 0.984 231 N CA -0.314 52.484 53.050 -0.421 0.000 0.935 231 N CB 1.117 39.389 38.487 -0.357 0.000 1.122 231 N HN 0.735 nan 8.380 nan 0.000 0.510 232 T N -0.723 113.403 114.554 -0.714 0.000 3.223 232 T HA 0.258 4.608 4.350 -0.001 0.000 0.259 232 T C 0.466 174.965 174.700 -0.334 0.000 1.015 232 T CA -0.463 61.053 62.100 -0.973 0.000 0.908 232 T CB -0.341 68.144 68.868 -0.638 0.000 1.054 232 T HN 0.170 nan 8.240 nan 0.000 0.567 233 S N 2.141 117.689 115.700 -0.253 0.000 2.596 233 S HA 0.243 4.713 4.470 -0.001 0.000 0.260 233 S C 1.801 176.401 174.600 -0.000 0.000 1.336 233 S CA 0.030 58.185 58.200 -0.076 0.000 0.993 233 S CB 0.957 64.044 63.200 -0.188 0.000 0.923 233 S HN 0.721 nan 8.310 nan 0.000 0.567 234 T N -1.701 112.791 114.554 -0.103 0.000 3.031 234 T HA 0.163 4.513 4.350 -0.001 0.000 0.254 234 T C 1.107 175.516 174.700 -0.486 0.000 1.060 234 T CA 0.442 62.297 62.100 -0.408 0.000 1.135 234 T CB 0.060 68.463 68.868 -0.776 0.000 0.896 234 T HN 0.604 nan 8.240 nan 0.000 0.472 235 E N 0.936 120.994 120.200 -0.237 0.000 2.583 235 E HA 0.131 4.481 4.350 -0.001 0.000 0.204 235 E C -0.211 176.394 176.600 0.008 0.000 0.860 235 E CA -0.151 56.156 56.400 -0.154 0.000 1.473 235 E CB 0.185 29.880 29.700 -0.008 0.000 1.469 235 E HN 0.460 nan 8.360 nan 0.000 0.788 236 N N 1.274 119.947 118.700 -0.045 0.000 2.454 236 N HA 0.017 4.757 4.740 -0.001 0.000 0.260 236 N C -0.898 174.276 175.510 -0.559 0.000 1.218 236 N CA 0.253 53.216 53.050 -0.145 0.000 0.904 236 N CB 0.276 38.673 38.487 -0.150 0.000 1.065 236 N HN 0.132 nan 8.380 nan 0.000 0.462 237 H N 1.922 120.702 119.070 -0.484 0.000 2.459 237 H HA 0.390 4.945 4.556 -0.001 0.000 0.332 237 H C -0.795 174.168 175.328 -0.609 0.000 1.094 237 H CA -0.282 55.393 56.048 -0.622 0.000 1.224 237 H CB 0.501 30.140 29.762 -0.205 0.000 1.449 237 H HN 0.328 nan 8.280 nan 0.000 0.484 238 F N 0.695 120.388 119.950 -0.428 0.000 2.492 238 F HA 0.422 4.949 4.527 -0.000 0.000 0.327 238 F C 0.304 175.840 175.800 -0.440 0.000 1.079 238 F CA -0.938 56.767 58.000 -0.492 0.000 0.967 238 F CB 1.434 40.170 39.000 -0.440 0.000 1.169 238 F HN 0.379 nan 8.300 nan 0.000 0.472 239 Q N 1.777 121.493 119.800 -0.140 0.000 2.282 239 Q HA 0.704 5.044 4.340 -0.001 0.000 0.260 239 Q C -1.012 174.847 176.000 -0.234 0.000 0.964 239 Q CA -1.074 54.637 55.803 -0.154 0.000 0.880 239 Q CB 2.736 31.456 28.738 -0.029 0.000 1.286 239 Q HN 0.580 nan 8.270 nan 0.000 0.445 240 V N -1.079 118.672 119.914 -0.271 0.000 2.823 240 V HA 0.951 5.071 4.120 -0.001 0.000 0.312 240 V C -0.653 175.176 176.094 -0.441 0.000 1.072 240 V CA -0.602 61.431 62.300 -0.446 0.000 0.937 240 V CB 1.857 33.439 31.823 -0.402 0.000 1.013 240 V HN 0.869 nan 8.190 nan 0.000 0.430 241 S N 3.795 119.127 115.700 -0.612 0.000 2.570 241 S HA 0.826 5.295 4.470 -0.001 0.000 0.270 241 S C -1.459 172.857 174.600 -0.473 0.000 1.149 241 S CA -0.769 57.192 58.200 -0.398 0.000 0.837 241 S CB 1.804 64.885 63.200 -0.198 0.000 1.124 241 S HN 1.706 nan 8.310 nan 0.000 0.465 242 L N 2.137 123.206 121.223 -0.257 0.000 2.349 242 L HA 0.644 4.983 4.340 -0.001 0.000 0.278 242 L C -0.826 176.031 176.870 -0.021 0.000 0.996 242 L CA -0.689 54.048 54.840 -0.171 0.000 0.825 242 L CB 1.618 43.511 42.059 -0.277 0.000 1.243 242 L HN 0.721 nan 8.230 nan 0.000 0.412 243 V N 6.608 126.577 119.914 0.092 0.000 2.617 243 V HA 0.027 4.146 4.120 -0.001 0.000 0.304 243 V C 1.242 177.451 176.094 0.191 0.000 1.040 243 V CA 0.883 63.286 62.300 0.171 0.000 1.149 243 V CB -0.235 31.759 31.823 0.286 0.000 0.914 243 V HN 1.052 nan 8.190 nan 0.000 0.487 244 N N 1.536 120.283 118.700 0.078 0.000 2.828 244 N HA -0.185 4.555 4.740 -0.001 0.000 0.248 244 N C -0.338 175.007 175.510 -0.274 0.000 1.044 244 N CA 0.759 53.760 53.050 -0.083 0.000 0.851 244 N CB -0.649 37.758 38.487 -0.133 0.000 1.136 244 N HN 0.873 nan 8.380 nan 0.000 0.572 245 H N -1.096 117.874 119.070 -0.167 0.000 2.851 245 H HA 0.392 4.948 4.556 -0.001 0.000 0.372 245 H C 0.056 175.316 175.328 -0.112 0.000 1.158 245 H CA -0.146 55.808 56.048 -0.157 0.000 1.159 245 H CB 1.452 31.093 29.762 -0.201 0.000 1.757 245 H HN 0.085 nan 8.280 nan 0.000 0.546 246 T N -0.249 114.316 114.554 0.019 0.000 2.881 246 T HA 0.616 4.966 4.350 -0.001 0.000 0.278 246 T C 0.121 174.819 174.700 -0.004 0.000 0.982 246 T CA -0.983 61.114 62.100 -0.006 0.000 0.989 246 T CB 0.879 69.738 68.868 -0.016 0.000 1.058 246 T HN 0.400 nan 8.240 nan 0.000 0.529 247 M N 1.447 121.032 119.600 -0.025 0.000 2.253 247 M HA 0.327 4.806 4.480 -0.001 0.000 0.314 247 M C -0.749 175.535 176.300 -0.026 0.000 1.019 247 M CA -0.605 54.678 55.300 -0.029 0.000 0.932 247 M CB 2.437 35.008 32.600 -0.048 0.000 1.606 247 M HN 0.624 nan 8.290 nan 0.000 0.430 248 T N 2.987 117.535 114.554 -0.010 0.000 2.738 248 T HA 0.349 4.698 4.350 -0.001 0.000 0.298 248 T C 0.060 174.760 174.700 -0.001 0.000 0.962 248 T CA -0.467 61.632 62.100 -0.002 0.000 0.972 248 T CB 0.473 69.351 68.868 0.017 0.000 0.928 248 T HN 0.372 nan 8.240 nan 0.000 0.474 249 V N 6.066 125.973 119.914 -0.011 0.000 2.529 249 V HA 0.136 4.255 4.120 -0.001 0.000 0.292 249 V C 1.373 177.496 176.094 0.049 0.000 1.028 249 V CA 0.271 62.580 62.300 0.016 0.000 1.074 249 V CB 0.117 31.936 31.823 -0.006 0.000 0.958 249 V HN 0.903 nan 8.190 nan 0.000 0.481 250 I N 1.837 122.441 120.570 0.057 0.000 4.227 250 I HA 0.763 4.933 4.170 -0.001 0.000 0.334 250 I C 0.567 176.714 176.117 0.051 0.000 1.341 250 I CA 0.057 61.390 61.300 0.056 0.000 1.123 250 I CB 0.518 38.549 38.000 0.053 0.000 1.097 250 I HN 0.523 nan 8.210 nan 0.000 0.399 251 A N 1.323 124.180 122.820 0.061 0.000 2.594 251 A HA 0.887 5.207 4.320 -0.001 0.000 0.295 251 A C -1.298 176.317 177.584 0.051 0.000 1.071 251 A CA -0.177 51.871 52.037 0.018 0.000 0.685 251 A CB 1.402 20.370 19.000 -0.053 0.000 1.285 251 A HN 0.356 nan 8.150 nan 0.000 0.405 252 A N 1.835 124.631 122.820 -0.040 0.000 2.330 252 A HA 0.738 5.057 4.320 -0.001 0.000 0.313 252 A C 0.131 177.559 177.584 -0.260 0.000 1.124 252 A CA 0.132 52.042 52.037 -0.211 0.000 0.774 252 A CB 0.221 19.177 19.000 -0.073 0.000 1.198 252 A HN 1.168 nan 8.150 nan 0.000 0.465 253 D N 0.637 120.825 120.400 -0.354 0.000 3.608 253 D HA -0.272 4.368 4.640 -0.001 0.000 0.152 253 D C 0.644 176.825 176.300 -0.198 0.000 0.971 253 D CA 2.031 55.889 54.000 -0.236 0.000 1.072 253 D CB -0.507 40.186 40.800 -0.179 0.000 0.507 253 D HN 0.627 nan 8.370 nan 0.000 0.520 254 M N 0.547 120.029 119.600 -0.197 0.000 2.655 254 M HA 0.254 4.734 4.480 -0.001 0.000 0.311 254 M C -0.819 175.249 176.300 -0.386 0.000 1.229 254 M CA 0.054 55.191 55.300 -0.271 0.000 0.972 254 M CB 0.601 33.048 32.600 -0.255 0.000 1.366 254 M HN 0.020 nan 8.290 nan 0.000 0.500 255 V N 1.517 121.265 119.914 -0.278 0.000 2.350 255 V HA 0.379 4.498 4.120 -0.001 0.000 0.285 255 V C -2.370 173.619 176.094 -0.175 0.000 1.014 255 V CA -1.767 60.393 62.300 -0.233 0.000 0.831 255 V CB 1.209 32.986 31.823 -0.077 0.000 1.000 255 V HN 0.190 nan 8.190 nan 0.000 0.433 256 P HA 0.166 nan 4.420 nan 0.000 0.265 256 P C -0.569 176.738 177.300 0.012 0.000 1.193 256 P CA 0.291 63.347 63.100 -0.073 0.000 0.765 256 P CB 0.701 32.378 31.700 -0.038 0.000 0.823 257 V N 0.528 120.464 119.914 0.037 0.000 3.001 257 V HA 0.549 4.669 4.120 -0.001 0.000 0.314 257 V C -0.157 175.975 176.094 0.064 0.000 1.099 257 V CA -1.228 61.107 62.300 0.058 0.000 0.989 257 V CB 1.964 33.829 31.823 0.071 0.000 1.040 257 V HN 0.260 nan 8.190 nan 0.000 0.434 258 N N 1.909 120.647 118.700 0.063 0.000 2.412 258 N HA 0.266 5.006 4.740 -0.001 0.000 0.254 258 N C 0.480 176.023 175.510 0.055 0.000 1.232 258 N CA 0.701 53.787 53.050 0.059 0.000 0.880 258 N CB 1.113 39.632 38.487 0.053 0.000 1.076 258 N HN 1.249 nan 8.380 nan 0.000 0.458 259 A N 2.627 125.478 122.820 0.053 0.000 2.584 259 A HA 0.040 4.359 4.320 -0.001 0.000 0.239 259 A C 0.462 178.067 177.584 0.036 0.000 1.043 259 A CA 0.518 52.583 52.037 0.046 0.000 0.756 259 A CB -0.163 18.866 19.000 0.047 0.000 0.963 259 A HN 0.757 nan 8.150 nan 0.000 0.511 260 M N 3.710 123.326 119.600 0.027 0.000 2.098 260 M HA 0.224 4.703 4.480 -0.001 0.000 0.265 260 M C -0.883 175.416 176.300 -0.003 0.000 0.940 260 M CA -0.128 55.181 55.300 0.015 0.000 1.007 260 M CB 1.369 33.980 32.600 0.019 0.000 1.823 260 M HN 0.678 nan 8.290 nan 0.000 0.453 261 T N 4.281 118.834 114.554 -0.002 0.000 2.817 261 T HA 0.557 4.906 4.350 -0.001 0.000 0.293 261 T C -0.216 174.473 174.700 -0.019 0.000 0.964 261 T CA -0.484 61.610 62.100 -0.010 0.000 1.085 261 T CB 0.761 69.627 68.868 -0.003 0.000 0.921 261 T HN 0.573 nan 8.240 nan 0.000 0.502 262 V N 0.259 120.155 119.914 -0.030 0.000 3.130 262 V HA 0.578 4.697 4.120 -0.001 0.000 0.310 262 V C -0.200 175.876 176.094 -0.031 0.000 1.158 262 V CA -0.927 61.355 62.300 -0.031 0.000 1.029 262 V CB 2.344 34.139 31.823 -0.046 0.000 1.057 262 V HN 0.528 nan 8.190 nan 0.000 0.436 263 D N 1.181 121.569 120.400 -0.019 0.000 2.305 263 D HA 0.198 4.837 4.640 -0.001 0.000 0.206 263 D C 0.825 177.109 176.300 -0.028 0.000 0.974 263 D CA 1.676 55.663 54.000 -0.022 0.000 0.871 263 D CB 0.654 41.445 40.800 -0.015 0.000 0.947 263 D HN 0.976 nan 8.370 nan 0.000 0.516 264 S N -1.007 114.692 115.700 -0.001 0.000 2.565 264 S HA 0.654 5.123 4.470 -0.001 0.000 0.269 264 S C -1.207 173.369 174.600 -0.041 0.000 1.153 264 S CA -0.995 57.200 58.200 -0.008 0.000 0.835 264 S CB 1.710 64.981 63.200 0.118 0.000 1.122 264 S HN -0.018 nan 8.310 nan 0.000 0.462 265 L N 1.609 122.713 121.223 -0.198 0.000 2.422 265 L HA 0.643 4.982 4.340 -0.001 0.000 0.264 265 L C -1.372 175.263 176.870 -0.391 0.000 0.984 265 L CA -0.754 53.897 54.840 -0.316 0.000 0.819 265 L CB 2.117 43.966 42.059 -0.351 0.000 1.330 265 L HN 0.828 nan 8.230 nan 0.000 0.410 266 F N 3.254 122.864 119.950 -0.568 0.000 2.410 266 F HA 0.590 5.117 4.527 -0.001 0.000 0.349 266 F C -0.992 174.797 175.800 -0.019 0.000 1.117 266 F CA -0.415 57.383 58.000 -0.337 0.000 1.104 266 F CB 0.851 39.681 39.000 -0.282 0.000 1.122 266 F HN 0.177 nan 8.300 nan 0.000 0.483 267 L N 6.941 127.781 121.223 -0.639 0.000 2.316 267 L HA 0.576 4.916 4.340 -0.001 0.000 0.280 267 L C 0.244 176.580 176.870 -0.891 0.000 1.006 267 L CA -0.387 54.167 54.840 -0.477 0.000 0.836 267 L CB 1.107 43.046 42.059 -0.200 0.000 1.221 267 L HN 0.806 nan 8.230 nan 0.000 0.418 268 A N 3.047 125.474 122.820 -0.654 0.000 2.429 268 A HA 0.400 4.719 4.320 -0.001 0.000 0.242 268 A C 0.291 177.491 177.584 -0.640 0.000 1.088 268 A CA -0.406 51.332 52.037 -0.498 0.000 0.784 268 A CB 0.233 19.247 19.000 0.023 0.000 1.038 268 A HN 0.409 nan 8.150 nan 0.000 0.501 269 V N 1.390 120.780 119.914 -0.874 0.000 2.557 269 V HA 0.363 4.483 4.120 -0.001 0.000 0.301 269 V C 1.649 177.409 176.094 -0.556 0.000 1.026 269 V CA 1.882 63.774 62.300 -0.680 0.000 1.137 269 V CB -0.268 31.234 31.823 -0.534 0.000 0.917 269 V HN 1.966 nan 8.190 nan 0.000 0.484 270 G N 3.431 111.804 108.800 -0.711 0.000 2.241 270 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.244 270 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.244 270 G C 0.235 174.816 174.900 -0.532 0.000 0.998 270 G CA 0.175 44.869 45.100 -0.677 0.000 0.621 270 G HN 0.627 nan 8.290 nan 0.000 0.519 271 Q N -0.025 119.506 119.800 -0.448 0.000 2.368 271 Q HA 0.692 5.031 4.340 -0.001 0.000 0.237 271 Q C 0.206 175.956 176.000 -0.417 0.000 0.987 271 Q CA 0.009 55.596 55.803 -0.360 0.000 0.896 271 Q CB 0.651 29.214 28.738 -0.291 0.000 1.241 271 Q HN 0.387 nan 8.270 nan 0.000 0.485 272 R N 0.598 120.848 120.500 -0.417 0.000 2.725 272 R HA 0.489 4.828 4.340 -0.001 0.000 0.277 272 R C -1.715 174.299 176.300 -0.476 0.000 0.987 272 R CA -0.516 55.377 56.100 -0.344 0.000 0.901 272 R CB 1.373 31.520 30.300 -0.256 0.000 1.207 272 R HN 0.465 nan 8.270 nan 0.000 0.463 273 Y N 0.094 120.343 120.300 -0.085 0.000 2.406 273 Y HA 0.327 4.876 4.550 -0.001 0.000 0.340 273 Y C -0.696 175.173 175.900 -0.052 0.000 0.975 273 Y CA -1.041 57.026 58.100 -0.056 0.000 1.056 273 Y CB 2.035 40.473 38.460 -0.037 0.000 1.210 273 Y HN 0.487 nan 8.280 nan 0.000 0.448 274 D N 2.832 123.289 120.400 0.096 0.000 2.249 274 D HA 0.487 5.127 4.640 -0.001 0.000 0.246 274 D C -0.631 175.690 176.300 0.035 0.000 1.114 274 D CA -0.019 53.996 54.000 0.025 0.000 0.854 274 D CB 1.244 42.027 40.800 -0.028 0.000 1.132 274 D HN 0.327 nan 8.370 nan 0.000 0.461 275 V N -0.403 119.508 119.914 -0.005 0.000 3.040 275 V HA 0.757 4.877 4.120 -0.001 0.000 0.312 275 V C -0.631 175.432 176.094 -0.052 0.000 1.115 275 V CA -0.914 61.377 62.300 -0.014 0.000 0.998 275 V CB 2.115 33.935 31.823 -0.004 0.000 1.042 275 V HN 0.179 nan 8.190 nan 0.000 0.433 276 V N 3.684 123.582 119.914 -0.027 0.000 2.409 276 V HA 0.538 4.658 4.120 -0.001 0.000 0.291 276 V C -0.272 175.834 176.094 0.020 0.000 1.020 276 V CA -0.267 62.028 62.300 -0.010 0.000 0.848 276 V CB 1.350 33.191 31.823 0.030 0.000 0.990 276 V HN 0.784 nan 8.190 nan 0.000 0.430 277 I N 3.895 124.487 120.570 0.038 0.000 2.339 277 I HA 0.403 4.573 4.170 -0.001 0.000 0.290 277 I C -0.669 175.525 176.117 0.128 0.000 0.994 277 I CA -0.522 60.803 61.300 0.043 0.000 1.191 277 I CB 1.717 39.691 38.000 -0.044 0.000 1.343 277 I HN 0.499 nan 8.210 nan 0.000 0.458 278 D N 5.967 126.442 120.400 0.125 0.000 2.280 278 D HA 0.268 4.908 4.640 -0.001 0.000 0.243 278 D C 0.316 176.721 176.300 0.176 0.000 1.129 278 D CA -0.148 53.941 54.000 0.149 0.000 0.848 278 D CB 1.868 42.726 40.800 0.096 0.000 1.107 278 D HN 0.555 nan 8.370 nan 0.000 0.471 279 A N 1.982 124.903 122.820 0.169 0.000 3.077 279 A HA 0.180 4.499 4.320 -0.001 0.000 0.255 279 A C 1.229 178.990 177.584 0.295 0.000 1.728 279 A CA -0.266 51.844 52.037 0.122 0.000 1.383 279 A CB -0.545 18.303 19.000 -0.254 0.000 1.097 279 A HN 0.406 nan 8.150 nan 0.000 0.634 280 S N -0.307 115.524 115.700 0.219 0.000 2.556 280 S HA 0.186 4.656 4.470 -0.001 0.000 0.216 280 S C 0.913 175.540 174.600 0.045 0.000 0.970 280 S CA -0.421 57.847 58.200 0.113 0.000 0.912 280 S CB 0.318 63.543 63.200 0.042 0.000 0.790 280 S HN 0.535 nan 8.310 nan 0.000 0.504 281 R N 1.616 122.126 120.500 0.016 0.000 2.524 281 R HA 0.713 5.052 4.340 -0.001 0.000 0.236 281 R C 0.275 176.478 176.300 -0.162 0.000 1.240 281 R CA -0.303 55.697 56.100 -0.167 0.000 1.111 281 R CB -0.430 29.585 30.300 -0.476 0.000 1.436 281 R HN 0.275 nan 8.270 nan 0.000 0.573 282 A N 2.132 124.852 122.820 -0.167 0.000 2.488 282 A HA 0.338 4.658 4.320 -0.001 0.000 0.249 282 A C -2.022 175.337 177.584 -0.375 0.000 1.083 282 A CA -1.072 50.866 52.037 -0.165 0.000 0.768 282 A CB -0.480 18.473 19.000 -0.079 0.000 1.017 282 A HN 0.263 nan 8.150 nan 0.000 0.496 283 P HA 0.288 nan 4.420 nan 0.000 0.266 283 P C -0.577 176.535 177.300 -0.314 0.000 1.215 283 P CA 0.515 63.350 63.100 -0.442 0.000 0.763 283 P CB 0.654 32.302 31.700 -0.087 0.000 0.806 284 D N 2.026 122.216 120.400 -0.351 0.000 2.809 284 D HA 0.160 4.800 4.640 -0.001 0.000 0.336 284 D C -1.327 174.746 176.300 -0.378 0.000 1.367 284 D CA -0.480 53.275 54.000 -0.410 0.000 0.815 284 D CB 0.908 41.313 40.800 -0.657 0.000 1.381 284 D HN 0.081 nan 8.370 nan 0.000 0.471 285 N N 0.738 119.162 118.700 -0.460 0.000 2.419 285 N HA 0.359 5.098 4.740 -0.001 0.000 0.277 285 N C -1.065 174.096 175.510 -0.581 0.000 1.006 285 N CA -0.061 52.795 53.050 -0.323 0.000 0.923 285 N CB 0.956 39.289 38.487 -0.257 0.000 1.140 285 N HN 0.249 nan 8.380 nan 0.000 0.488 286 Y N -0.037 120.228 120.300 -0.058 0.000 2.409 286 Y HA 0.323 4.872 4.550 -0.001 0.000 0.343 286 Y C -0.130 175.772 175.900 0.003 0.000 0.973 286 Y CA -0.890 57.187 58.100 -0.039 0.000 1.064 286 Y CB 1.286 39.793 38.460 0.078 0.000 1.207 286 Y HN 0.415 nan 8.280 nan 0.000 0.452 287 W N 3.741 125.154 121.300 0.189 0.000 2.266 287 W HA 0.259 4.919 4.660 -0.001 0.000 0.317 287 W C -0.503 176.111 176.519 0.159 0.000 1.310 287 W CA -0.459 56.965 57.345 0.132 0.000 1.207 287 W CB 0.465 29.948 29.460 0.038 0.000 1.199 287 W HN 0.402 nan 8.180 nan 0.000 0.544 288 F N 4.950 125.107 119.950 0.346 0.000 2.385 288 F HA 0.341 4.867 4.527 -0.001 0.000 0.360 288 F C -0.320 175.561 175.800 0.136 0.000 1.122 288 F CA -0.702 57.377 58.000 0.132 0.000 1.090 288 F CB 0.193 39.312 39.000 0.197 0.000 1.150 288 F HN 0.252 nan 8.300 nan 0.000 0.472 289 N N 4.254 122.804 118.700 -0.250 0.000 2.421 289 N HA 0.462 5.202 4.740 -0.001 0.000 0.285 289 N C -1.347 173.949 175.510 -0.356 0.000 1.027 289 N CA -0.638 52.291 53.050 -0.203 0.000 0.918 289 N CB 2.039 40.433 38.487 -0.155 0.000 1.152 289 N HN 0.288 nan 8.380 nan 0.000 0.485 290 V N 1.900 121.665 119.914 -0.248 0.000 2.432 290 V HA 0.476 4.595 4.120 -0.001 0.000 0.275 290 V C 0.391 176.299 176.094 -0.310 0.000 1.043 290 V CA -0.280 61.812 62.300 -0.346 0.000 0.925 290 V CB 0.744 32.295 31.823 -0.454 0.000 0.985 290 V HN 0.867 nan 8.190 nan 0.000 0.466 291 T N 1.737 116.082 114.554 -0.348 0.000 2.901 291 T HA 0.782 5.132 4.350 -0.001 0.000 0.293 291 T C -1.011 173.434 174.700 -0.424 0.000 1.084 291 T CA -0.645 61.302 62.100 -0.256 0.000 1.008 291 T CB 1.787 70.609 68.868 -0.077 0.000 1.170 291 T HN 0.115 nan 8.240 nan 0.000 0.509 292 F N -0.090 119.879 119.950 0.032 0.000 2.508 292 F HA 0.769 5.295 4.527 -0.001 0.000 0.325 292 F C 0.913 176.752 175.800 0.065 0.000 1.090 292 F CA -0.301 57.726 58.000 0.045 0.000 0.945 292 F CB 2.299 41.270 39.000 -0.048 0.000 1.156 292 F HN 1.084 nan 8.300 nan 0.000 0.463 293 G N -0.219 108.742 108.800 0.269 0.000 3.209 293 G HA2 0.478 4.437 3.960 -0.001 0.000 0.236 293 G HA3 0.478 4.437 3.960 -0.001 0.000 0.236 293 G C 0.568 175.557 174.900 0.148 0.000 1.329 293 G CA -0.582 44.628 45.100 0.183 0.000 1.015 293 G HN 1.228 nan 8.290 nan 0.000 0.571 294 G N -0.948 107.900 108.800 0.080 0.000 2.203 294 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.263 294 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.263 294 G C 0.639 175.573 174.900 0.057 0.000 1.012 294 G CA 0.910 46.037 45.100 0.046 0.000 0.749 294 G HN 1.344 nan 8.290 nan 0.000 0.512 295 Q N -3.340 116.503 119.800 0.071 0.000 2.439 295 Q HA -0.214 4.125 4.340 -0.001 0.000 0.325 295 Q C 1.503 177.552 176.000 0.082 0.000 1.372 295 Q CA 2.144 57.991 55.803 0.072 0.000 0.909 295 Q CB -2.437 26.335 28.738 0.056 0.000 1.167 295 Q HN 2.432 nan 8.270 nan 0.000 0.418 296 A N -2.001 120.869 122.820 0.084 0.000 3.413 296 A HA -0.295 4.024 4.320 -0.001 0.000 0.268 296 A C 1.673 179.301 177.584 0.074 0.000 1.128 296 A CA 2.096 54.182 52.037 0.081 0.000 1.062 296 A CB -1.909 17.215 19.000 0.206 0.000 1.121 296 A HN 1.484 nan 8.150 nan 0.000 0.895 297 A N -0.929 121.923 122.820 0.053 0.000 2.125 297 A HA 0.117 4.437 4.320 -0.001 0.000 0.219 297 A C 1.761 179.331 177.584 -0.023 0.000 1.156 297 A CA 2.051 54.108 52.037 0.033 0.000 0.671 297 A CB -1.109 17.904 19.000 0.022 0.000 0.794 297 A HN 2.192 nan 8.150 nan 0.000 0.459 298 c N -3.673 114.900 118.600 -0.046 0.000 2.913 298 c HA 0.656 5.226 4.570 -0.001 0.000 0.246 298 c C 0.695 174.760 174.090 -0.042 0.000 1.857 298 c CA -0.449 55.758 56.329 -0.204 0.000 1.690 298 c CB -0.846 41.362 42.510 -0.503 0.000 3.235 298 c HN 1.728 nan 8.230 nan 0.000 0.475 299 G N -0.532 108.254 108.800 -0.023 0.000 2.440 299 G HA2 0.511 4.471 3.960 -0.001 0.000 0.684 299 G HA3 0.511 4.471 3.960 -0.001 0.000 0.684 299 G C -0.527 173.923 174.900 -0.749 0.000 1.309 299 G CA 0.065 45.071 45.100 -0.156 0.000 0.931 299 G HN 1.930 nan 8.290 nan 0.000 0.612 300 G N -1.318 106.603 108.800 -1.464 0.000 2.660 300 G HA2 0.865 4.824 3.960 -0.001 0.000 0.290 300 G HA3 0.865 4.824 3.960 -0.001 0.000 0.290 300 G C -0.897 172.854 174.900 -1.915 0.000 1.432 300 G CA 0.797 44.237 45.100 -2.768 0.000 0.807 300 G HN 1.728 nan 8.290 nan 0.000 0.485 301 S N -1.180 113.757 115.700 -1.272 0.000 2.566 301 S HA 0.521 4.990 4.470 -0.001 0.000 0.298 301 S C 1.004 175.571 174.600 -0.055 0.000 1.083 301 S CA -0.778 57.222 58.200 -0.332 0.000 0.978 301 S CB 1.420 64.619 63.200 -0.001 0.000 1.073 301 S HN 0.467 nan 8.310 nan 0.000 0.491 302 L N 2.248 123.520 121.223 0.082 0.000 2.554 302 L HA 0.188 4.528 4.340 -0.001 0.000 0.226 302 L C 0.865 177.767 176.870 0.052 0.000 1.137 302 L CA 0.147 55.057 54.840 0.117 0.000 0.863 302 L CB -0.328 41.783 42.059 0.086 0.000 0.985 302 L HN 0.508 nan 8.230 nan 0.000 0.451 303 N N 1.361 120.077 118.700 0.026 0.000 2.406 303 N HA 0.090 4.830 4.740 -0.001 0.000 0.251 303 N C -1.595 173.903 175.510 -0.020 0.000 1.069 303 N CA -1.997 51.065 53.050 0.019 0.000 0.947 303 N CB 1.314 39.816 38.487 0.024 0.000 1.111 303 N HN -0.115 nan 8.380 nan 0.000 0.497 304 P HA -0.053 nan 4.420 nan 0.000 0.221 304 P C -0.507 176.441 177.300 -0.587 0.000 1.150 304 P CA 1.306 64.230 63.100 -0.292 0.000 0.800 304 P CB 0.269 31.790 31.700 -0.298 0.000 0.787 305 H N -0.835 118.231 119.070 -0.006 0.000 2.439 305 H HA 0.331 4.887 4.556 -0.001 0.000 0.228 305 H C -2.433 172.846 175.328 -0.081 0.000 1.423 305 H CA -2.019 53.987 56.048 -0.071 0.000 1.386 305 H CB 0.479 30.156 29.762 -0.143 0.000 1.641 305 H HN 0.174 nan 8.280 nan 0.000 0.508 306 P HA 0.367 nan 4.420 nan 0.000 0.271 306 P C -0.424 176.877 177.300 0.001 0.000 1.216 306 P CA -0.076 63.024 63.100 -0.001 0.000 0.776 306 P CB 1.342 33.009 31.700 -0.055 0.000 0.881 307 A N 1.480 124.365 122.820 0.108 0.000 2.608 307 A HA 0.759 5.078 4.320 -0.001 0.000 0.292 307 A C -1.475 176.365 177.584 0.426 0.000 1.066 307 A CA -0.361 51.794 52.037 0.198 0.000 0.676 307 A CB 1.228 20.184 19.000 -0.073 0.000 1.277 307 A HN 0.558 nan 8.150 nan 0.000 0.413 308 A N 0.322 123.478 122.820 0.559 0.000 2.346 308 A HA 0.893 5.213 4.320 -0.001 0.000 0.313 308 A C -0.837 177.104 177.584 0.595 0.000 1.140 308 A CA -0.583 51.783 52.037 0.548 0.000 0.826 308 A CB 0.824 20.128 19.000 0.507 0.000 1.332 308 A HN 0.860 nan 8.150 nan 0.000 0.457 309 I N 0.659 121.453 120.570 0.374 0.000 2.362 309 I HA 0.331 4.500 4.170 -0.001 0.000 0.289 309 I C -1.426 174.817 176.117 0.209 0.000 0.994 309 I CA -0.130 61.293 61.300 0.206 0.000 1.158 309 I CB 1.267 39.248 38.000 -0.031 0.000 1.315 309 I HN 0.445 nan 8.210 nan 0.000 0.451 310 F N 5.239 125.227 119.950 0.063 0.000 2.385 310 F HA 0.302 4.829 4.527 -0.001 0.000 0.360 310 F C 0.446 176.322 175.800 0.126 0.000 1.122 310 F CA -0.440 57.578 58.000 0.030 0.000 1.090 310 F CB 0.525 39.502 39.000 -0.038 0.000 1.150 310 F HN 0.401 nan 8.300 nan 0.000 0.472 311 H N 4.697 123.801 119.070 0.056 0.000 2.504 311 H HA 0.235 4.790 4.556 -0.001 0.000 0.322 311 H C -1.164 174.240 175.328 0.126 0.000 1.055 311 H CA -0.645 55.453 56.048 0.083 0.000 1.231 311 H CB 0.720 30.466 29.762 -0.026 0.000 1.417 311 H HN 0.434 nan 8.280 nan 0.000 0.472 312 Y N 2.593 122.667 120.300 -0.376 0.000 2.465 312 Y HA 0.159 4.708 4.550 -0.001 0.000 0.331 312 Y C 0.871 176.435 175.900 -0.560 0.000 1.102 312 Y CA 0.055 57.972 58.100 -0.306 0.000 1.358 312 Y CB 0.464 38.852 38.460 -0.120 0.000 1.213 312 Y HN 0.669 nan 8.280 nan 0.000 0.525 313 A N 2.762 125.503 122.820 -0.131 0.000 2.520 313 A HA 0.417 4.737 4.320 -0.001 0.000 0.245 313 A C 1.409 179.002 177.584 0.015 0.000 1.072 313 A CA 0.578 52.613 52.037 -0.004 0.000 0.761 313 A CB -0.772 18.256 19.000 0.047 0.000 1.004 313 A HN 1.515 nan 8.150 nan 0.000 0.499 314 G N 0.523 109.369 108.800 0.077 0.000 2.176 314 G HA2 0.135 4.095 3.960 -0.001 0.000 0.253 314 G HA3 0.135 4.095 3.960 -0.001 0.000 0.253 314 G C 0.590 175.511 174.900 0.036 0.000 0.979 314 G CA 0.607 45.743 45.100 0.061 0.000 0.641 314 G HN 2.122 nan 8.290 nan 0.000 0.530 315 A N 0.279 123.085 122.820 -0.023 0.000 2.257 315 A HA 0.819 5.138 4.320 -0.001 0.000 0.289 315 A C -1.464 176.184 177.584 0.107 0.000 1.095 315 A CA -0.866 51.155 52.037 -0.028 0.000 0.836 315 A CB 0.254 19.163 19.000 -0.151 0.000 1.111 315 A HN 0.187 nan 8.150 nan 0.000 0.497 316 P HA 0.253 nan 4.420 nan 0.000 0.268 316 P C 0.622 178.004 177.300 0.138 0.000 1.208 316 P CA 0.409 63.551 63.100 0.070 0.000 0.777 316 P CB 0.440 32.140 31.700 0.000 0.000 0.875 317 G N 0.306 109.138 108.800 0.052 0.000 2.485 317 G HA2 0.492 4.452 3.960 -0.001 0.000 0.260 317 G HA3 0.492 4.452 3.960 -0.001 0.000 0.260 317 G C 0.282 175.154 174.900 -0.046 0.000 1.459 317 G CA -0.014 45.064 45.100 -0.037 0.000 1.060 317 G HN 0.854 nan 8.290 nan 0.000 0.546 318 G N -2.086 106.672 108.800 -0.070 0.000 2.681 318 G HA2 -0.076 3.884 3.960 -0.001 0.000 0.220 318 G HA3 -0.076 3.884 3.960 -0.001 0.000 0.220 318 G C -0.296 174.523 174.900 -0.136 0.000 1.353 318 G CA -0.200 44.858 45.100 -0.071 0.000 0.872 318 G HN 0.911 nan 8.290 nan 0.000 0.557 319 L N 1.096 122.220 121.223 -0.164 0.000 2.343 319 L HA 0.475 4.815 4.340 -0.001 0.000 0.275 319 L C -1.787 174.788 176.870 -0.492 0.000 1.056 319 L CA -1.890 52.739 54.840 -0.352 0.000 0.804 319 L CB 1.389 43.353 42.059 -0.158 0.000 1.203 319 L HN 0.353 nan 8.230 nan 0.000 0.440 320 P HA -0.013 nan 4.420 nan 0.000 0.266 320 P C 0.439 177.435 177.300 -0.507 0.000 1.193 320 P CA 0.078 62.641 63.100 -0.894 0.000 0.770 320 P CB 0.577 31.294 31.700 -1.638 0.000 0.836 321 T N -3.156 111.227 114.554 -0.285 0.000 2.990 321 T HA 0.076 4.425 4.350 -0.001 0.000 0.250 321 T C 0.393 175.097 174.700 0.006 0.000 1.041 321 T CA 0.104 62.150 62.100 -0.089 0.000 1.010 321 T CB -0.131 68.679 68.868 -0.096 0.000 1.003 321 T HN 0.251 nan 8.240 nan 0.000 0.499 322 D N 1.680 122.077 120.400 -0.005 0.000 2.359 322 D HA 0.234 4.874 4.640 -0.001 0.000 0.230 322 D C 0.775 177.212 176.300 0.229 0.000 1.118 322 D CA -0.321 53.728 54.000 0.082 0.000 0.844 322 D CB 1.407 42.240 40.800 0.056 0.000 1.059 322 D HN 0.289 nan 8.370 nan 0.000 0.493 323 E N 2.106 122.417 120.200 0.184 0.000 2.268 323 E HA 0.123 4.473 4.350 -0.001 0.000 0.195 323 E C 1.196 177.866 176.600 0.115 0.000 0.995 323 E CA 0.513 57.007 56.400 0.157 0.000 0.836 323 E CB 0.017 29.731 29.700 0.023 0.000 0.763 323 E HN 0.758 nan 8.360 nan 0.000 0.491 324 G N 0.918 109.780 108.800 0.104 0.000 2.760 324 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.246 324 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.246 324 G C -0.020 174.904 174.900 0.040 0.000 1.359 324 G CA -0.308 44.840 45.100 0.080 0.000 0.861 324 G HN 0.242 nan 8.290 nan 0.000 0.541 325 T N -0.422 114.150 114.554 0.030 0.000 2.888 325 T HA 0.779 5.129 4.350 -0.001 0.000 0.284 325 T C -1.832 172.876 174.700 0.013 0.000 1.017 325 T CA -0.673 61.438 62.100 0.018 0.000 1.022 325 T CB 2.038 70.914 68.868 0.013 0.000 1.013 325 T HN 0.841 nan 8.240 nan 0.000 0.465 326 P HA 0.320 nan 4.420 nan 0.000 0.269 326 P C -2.502 174.804 177.300 0.010 0.000 1.209 326 P CA -0.851 62.260 63.100 0.018 0.000 0.776 326 P CB -0.480 31.238 31.700 0.030 0.000 0.876 327 P HA 0.137 nan 4.420 nan 0.000 0.282 327 P C -0.296 177.008 177.300 0.006 0.000 1.287 327 P CA -0.641 62.469 63.100 0.017 0.000 0.792 327 P CB 0.414 32.144 31.700 0.049 0.000 1.163 328 V N 0.932 120.821 119.914 -0.041 0.000 2.763 328 V HA -0.016 4.103 4.120 -0.001 0.000 0.306 328 V C 0.362 176.380 176.094 -0.128 0.000 1.059 328 V CA 0.141 62.372 62.300 -0.115 0.000 1.138 328 V CB -0.132 31.568 31.823 -0.204 0.000 0.940 328 V HN 0.524 nan 8.190 nan 0.000 0.489 329 D N 4.951 125.302 120.400 -0.080 0.000 2.363 329 D HA 0.016 4.655 4.640 -0.001 0.000 0.263 329 D C 1.041 177.275 176.300 -0.110 0.000 1.258 329 D CA 0.282 54.270 54.000 -0.021 0.000 0.907 329 D CB 0.327 41.125 40.800 -0.004 0.000 1.107 329 D HN 0.702 nan 8.370 nan 0.000 0.495 330 H N 3.401 122.454 119.070 -0.027 0.000 2.556 330 H HA -0.018 4.537 4.556 -0.001 0.000 0.268 330 H C 0.470 175.666 175.328 -0.220 0.000 0.996 330 H CA 0.275 56.257 56.048 -0.111 0.000 1.157 330 H CB 0.494 30.212 29.762 -0.073 0.000 1.355 330 H HN 0.529 nan 8.280 nan 0.000 0.597 331 Q N -0.876 118.888 119.800 -0.060 0.000 2.434 331 Q HA -0.189 4.150 4.340 -0.001 0.000 0.299 331 Q C 0.565 176.448 176.000 -0.197 0.000 1.286 331 Q CA 0.829 56.577 55.803 -0.092 0.000 0.872 331 Q CB -2.646 26.044 28.738 -0.080 0.000 1.193 331 Q HN 0.693 nan 8.270 nan 0.000 0.466 332 c N -1.503 116.914 118.600 -0.306 0.000 4.268 332 c HA -0.222 4.347 4.570 -0.001 0.000 0.299 332 c C 0.579 174.234 174.090 -0.727 0.000 1.429 332 c CA 0.898 56.940 56.329 -0.478 0.000 2.018 332 c CB -2.219 40.205 42.510 -0.145 0.000 1.277 332 c HN 0.493 nan 8.230 nan 0.000 0.767 333 L N 1.258 121.868 121.223 -1.021 0.000 2.410 333 L HA 0.492 4.831 4.340 -0.001 0.000 0.270 333 L C 0.142 176.705 176.870 -0.512 0.000 0.983 333 L CA -0.506 54.005 54.840 -0.548 0.000 0.822 333 L CB 1.369 43.275 42.059 -0.254 0.000 1.285 333 L HN 0.241 nan 8.230 nan 0.000 0.409 334 D N 0.204 120.591 120.400 -0.021 0.000 2.357 334 D HA 0.028 4.668 4.640 -0.001 0.000 0.242 334 D C 0.169 176.566 176.300 0.162 0.000 1.153 334 D CA -0.321 53.845 54.000 0.277 0.000 0.918 334 D CB 1.155 42.198 40.800 0.406 0.000 1.181 334 D HN 0.311 nan 8.370 nan 0.000 0.435 335 T N 0.465 115.141 114.554 0.203 0.000 2.901 335 T HA 0.180 4.530 4.350 -0.001 0.000 0.301 335 T C 1.003 175.782 174.700 0.131 0.000 1.012 335 T CA -0.472 61.710 62.100 0.136 0.000 1.135 335 T CB -0.026 68.909 68.868 0.112 0.000 0.936 335 T HN 0.348 nan 8.240 nan 0.000 0.539 336 L N 3.748 125.021 121.223 0.083 0.000 2.700 336 L HA 0.263 4.603 4.340 -0.001 0.000 0.234 336 L C 1.243 178.154 176.870 0.067 0.000 1.156 336 L CA -0.077 54.811 54.840 0.079 0.000 0.946 336 L CB 0.100 42.190 42.059 0.052 0.000 1.216 336 L HN 0.579 nan 8.230 nan 0.000 0.493 337 D N 0.144 120.584 120.400 0.066 0.000 2.348 337 D HA -0.001 4.639 4.640 -0.001 0.000 0.211 337 D C 1.003 177.340 176.300 0.062 0.000 0.998 337 D CA 0.458 54.489 54.000 0.052 0.000 0.873 337 D CB 0.317 41.139 40.800 0.038 0.000 0.925 337 D HN 0.167 nan 8.370 nan 0.000 0.524 338 V N -0.233 119.733 119.914 0.087 0.000 2.843 338 V HA 0.342 4.462 4.120 -0.001 0.000 0.305 338 V C 0.249 176.388 176.094 0.076 0.000 1.065 338 V CA -0.412 61.943 62.300 0.092 0.000 1.116 338 V CB 1.027 32.932 31.823 0.137 0.000 0.968 338 V HN -0.100 nan 8.190 nan 0.000 0.487 339 R N 3.283 123.823 120.500 0.067 0.000 2.483 339 R HA 0.475 4.815 4.340 -0.001 0.000 0.303 339 R C -2.983 173.353 176.300 0.061 0.000 0.987 339 R CA -2.072 54.063 56.100 0.059 0.000 0.881 339 R CB 1.862 32.192 30.300 0.049 0.000 1.177 339 R HN 0.535 nan 8.270 nan 0.000 0.451 340 P HA -0.022 nan 4.420 nan 0.000 0.266 340 P C 1.094 178.438 177.300 0.074 0.000 1.195 340 P CA -0.094 63.048 63.100 0.070 0.000 0.768 340 P CB 0.823 32.568 31.700 0.076 0.000 0.838 341 V N 3.254 123.220 119.914 0.086 0.000 2.261 341 V HA -0.138 3.982 4.120 -0.001 0.000 0.246 341 V C 1.169 177.321 176.094 0.098 0.000 1.047 341 V CA 1.557 63.913 62.300 0.093 0.000 1.015 341 V CB -0.386 31.502 31.823 0.108 0.000 0.642 341 V HN 0.315 nan 8.190 nan 0.000 0.446 342 V N 3.833 123.819 119.914 0.120 0.000 2.405 342 V HA 0.226 4.345 4.120 -0.001 0.000 0.264 342 V C -1.896 174.234 176.094 0.061 0.000 1.048 342 V CA -1.294 61.058 62.300 0.087 0.000 0.966 342 V CB 0.680 32.543 31.823 0.066 0.000 1.015 342 V HN 0.404 nan 8.190 nan 0.000 0.477 343 P HA 0.507 nan 4.420 nan 0.000 0.282 343 P C -0.829 176.501 177.300 0.051 0.000 1.259 343 P CA -0.767 62.362 63.100 0.048 0.000 0.826 343 P CB 1.319 33.043 31.700 0.041 0.000 1.064 344 R N 0.335 120.862 120.500 0.045 0.000 2.807 344 R HA 0.687 5.026 4.340 -0.001 0.000 0.276 344 R C -0.674 175.607 176.300 -0.031 0.000 0.979 344 R CA -0.732 55.398 56.100 0.050 0.000 0.928 344 R CB 1.792 32.146 30.300 0.091 0.000 1.191 344 R HN 0.441 nan 8.270 nan 0.000 0.471 345 S N 0.627 116.291 115.700 -0.060 0.000 2.571 345 S HA 0.603 5.072 4.470 -0.001 0.000 0.284 345 S C -0.586 173.875 174.600 -0.233 0.000 1.128 345 S CA -0.796 57.336 58.200 -0.113 0.000 0.970 345 S CB 1.974 65.150 63.200 -0.040 0.000 1.039 345 S HN 0.417 nan 8.310 nan 0.000 0.485 346 V N 0.436 120.169 119.914 -0.302 0.000 3.007 346 V HA 0.808 4.928 4.120 -0.001 0.000 0.311 346 V C -2.869 173.147 176.094 -0.130 0.000 1.120 346 V CA -2.666 59.425 62.300 -0.348 0.000 0.980 346 V CB 1.504 32.914 31.823 -0.689 0.000 1.033 346 V HN 0.646 nan 8.190 nan 0.000 0.429 347 P HA 0.310 nan 4.420 nan 0.000 0.275 347 P C 0.423 177.714 177.300 -0.015 0.000 1.227 347 P CA 0.071 63.159 63.100 -0.020 0.000 0.781 347 P CB 1.716 33.408 31.700 -0.014 0.000 0.906 348 V N -0.690 119.213 119.914 -0.019 0.000 3.604 348 V HA 0.062 4.181 4.120 -0.001 0.000 0.277 348 V C 1.631 177.726 176.094 0.002 0.000 1.399 348 V CA 0.496 62.791 62.300 -0.009 0.000 1.034 348 V CB -0.779 31.058 31.823 0.023 0.000 0.824 348 V HN 0.465 nan 8.190 nan 0.000 0.439 349 N N 2.688 121.381 118.700 -0.010 0.000 2.457 349 N HA -0.108 4.631 4.740 -0.001 0.000 0.180 349 N C 1.562 177.059 175.510 -0.023 0.000 1.050 349 N CA 1.551 54.600 53.050 -0.001 0.000 0.906 349 N CB -0.170 38.312 38.487 -0.008 0.000 0.968 349 N HN 0.681 nan 8.380 nan 0.000 0.445 350 S N -0.626 115.035 115.700 -0.066 0.000 2.524 350 S HA 0.097 4.567 4.470 -0.001 0.000 0.216 350 S C 0.415 174.918 174.600 -0.161 0.000 0.987 350 S CA -0.783 57.350 58.200 -0.110 0.000 0.909 350 S CB -0.707 62.416 63.200 -0.129 0.000 0.781 350 S HN 0.274 nan 8.310 nan 0.000 0.521 351 F N 3.652 123.420 119.950 -0.303 0.000 2.571 351 F HA 0.386 4.913 4.527 -0.001 0.000 0.384 351 F C -0.470 175.198 175.800 -0.219 0.000 1.058 351 F CA -0.481 57.299 58.000 -0.367 0.000 1.200 351 F CB 0.445 39.213 39.000 -0.386 0.000 1.077 351 F HN -0.089 nan 8.300 nan 0.000 0.558 352 V N 7.265 126.534 119.914 -1.075 0.000 2.448 352 V HA 0.211 4.330 4.120 -0.001 0.000 0.295 352 V C -0.116 175.208 176.094 -1.283 0.000 1.025 352 V CA -1.375 60.367 62.300 -0.930 0.000 0.859 352 V CB 1.431 32.973 31.823 -0.468 0.000 0.988 352 V HN 0.710 nan 8.190 nan 0.000 0.431 353 K N 5.664 125.482 120.400 -0.971 0.000 2.447 353 K HA 0.315 4.635 4.320 -0.001 0.000 0.281 353 K C -0.220 176.195 176.600 -0.308 0.000 1.031 353 K CA 0.212 56.176 56.287 -0.538 0.000 1.019 353 K CB 0.409 32.787 32.500 -0.203 0.000 0.918 353 K HN 0.727 nan 8.250 nan 0.000 0.476 354 R N 3.598 123.971 120.500 -0.211 0.000 2.799 354 R HA 0.226 4.566 4.340 -0.001 0.000 0.270 354 R C -2.172 174.107 176.300 -0.035 0.000 1.010 354 R CA -2.088 53.941 56.100 -0.117 0.000 0.916 354 R CB 1.141 31.361 30.300 -0.133 0.000 1.228 354 R HN 0.353 nan 8.270 nan 0.000 0.469 355 P HA -0.204 nan 4.420 nan 0.000 0.216 355 P C 0.405 177.750 177.300 0.075 0.000 1.150 355 P CA 1.474 64.596 63.100 0.037 0.000 0.843 355 P CB 0.100 31.819 31.700 0.031 0.000 0.787 356 D N -1.121 119.313 120.400 0.056 0.000 2.363 356 D HA -0.105 4.535 4.640 -0.001 0.000 0.220 356 D C 0.810 177.198 176.300 0.146 0.000 0.994 356 D CA 0.637 54.702 54.000 0.109 0.000 0.890 356 D CB -1.180 39.664 40.800 0.073 0.000 0.906 356 D HN 0.261 nan 8.370 nan 0.000 0.530 357 N N -0.992 117.751 118.700 0.073 0.000 2.177 357 N HA 0.041 4.781 4.740 -0.001 0.000 0.218 357 N C -0.770 174.896 175.510 0.261 0.000 1.182 357 N CA -0.338 52.728 53.050 0.027 0.000 0.882 357 N CB 0.268 38.647 38.487 -0.178 0.000 1.052 357 N HN -0.146 nan 8.380 nan 0.000 0.519 358 T N 1.182 115.886 114.554 0.249 0.000 2.797 358 T HA 0.467 4.817 4.350 -0.001 0.000 0.279 358 T C -0.424 174.427 174.700 0.252 0.000 0.991 358 T CA -0.516 61.723 62.100 0.231 0.000 0.979 358 T CB 1.548 70.497 68.868 0.134 0.000 0.943 358 T HN 0.066 nan 8.240 nan 0.000 0.444 359 L N 5.260 126.639 121.223 0.260 0.000 2.356 359 L HA 0.346 4.685 4.340 -0.001 0.000 0.264 359 L C -2.498 174.472 176.870 0.167 0.000 1.029 359 L CA -2.130 52.836 54.840 0.211 0.000 0.897 359 L CB 1.101 43.313 42.059 0.254 0.000 1.256 359 L HN 0.311 nan 8.230 nan 0.000 0.444 360 P HA 0.127 nan 4.420 nan 0.000 0.281 360 P C -0.309 177.049 177.300 0.096 0.000 1.286 360 P CA -0.106 63.064 63.100 0.116 0.000 0.772 360 P CB 1.151 32.908 31.700 0.094 0.000 0.862 361 V N 3.488 123.463 119.914 0.102 0.000 2.567 361 V HA 0.735 4.855 4.120 -0.001 0.000 0.289 361 V C 0.433 176.601 176.094 0.123 0.000 1.049 361 V CA -0.174 62.179 62.300 0.089 0.000 0.969 361 V CB 1.051 32.889 31.823 0.025 0.000 0.995 361 V HN 0.700 nan 8.190 nan 0.000 0.471 362 A N 4.292 127.196 122.820 0.139 0.000 2.566 362 A HA 0.734 5.053 4.320 -0.001 0.000 0.297 362 A C -1.572 176.000 177.584 -0.019 0.000 1.059 362 A CA -0.536 51.538 52.037 0.062 0.000 0.691 362 A CB 1.478 20.487 19.000 0.015 0.000 1.282 362 A HN 0.789 nan 8.150 nan 0.000 0.401 363 L N 1.690 122.765 121.223 -0.248 0.000 2.264 363 L HA 0.646 4.985 4.340 -0.001 0.000 0.289 363 L C -0.741 175.922 176.870 -0.346 0.000 1.044 363 L CA -0.004 54.474 54.840 -0.605 0.000 0.807 363 L CB 1.170 42.641 42.059 -0.979 0.000 1.192 363 L HN 0.653 nan 8.230 nan 0.000 0.425 364 D N 4.554 124.775 120.400 -0.297 0.000 2.349 364 D HA 0.245 4.884 4.640 -0.001 0.000 0.232 364 D C 0.347 176.521 176.300 -0.209 0.000 1.071 364 D CA -0.127 53.758 54.000 -0.193 0.000 0.832 364 D CB 1.036 41.756 40.800 -0.133 0.000 1.086 364 D HN 0.643 nan 8.370 nan 0.000 0.504 365 L N 2.869 123.984 121.223 -0.180 0.000 2.607 365 L HA 0.097 4.437 4.340 -0.001 0.000 0.228 365 L C 2.027 178.794 176.870 -0.171 0.000 1.123 365 L CA 0.277 54.995 54.840 -0.203 0.000 0.890 365 L CB 0.074 42.038 42.059 -0.159 0.000 1.103 365 L HN 0.452 nan 8.230 nan 0.000 0.468 366 T N -3.662 110.813 114.554 -0.132 0.000 3.065 366 T HA 0.174 4.523 4.350 -0.001 0.000 0.252 366 T C 1.092 175.734 174.700 -0.097 0.000 1.099 366 T CA 0.425 62.464 62.100 -0.102 0.000 1.063 366 T CB 0.231 69.054 68.868 -0.076 0.000 0.948 366 T HN 0.231 nan 8.240 nan 0.000 0.506 367 G N 1.195 109.931 108.800 -0.108 0.000 2.945 367 G HA2 0.548 4.508 3.960 -0.001 0.000 0.156 367 G HA3 0.548 4.508 3.960 -0.001 0.000 0.156 367 G C -0.525 174.315 174.900 -0.100 0.000 1.375 367 G CA -0.009 45.037 45.100 -0.090 0.000 1.039 367 G HN 0.684 nan 8.290 nan 0.000 0.586 368 T N -0.319 114.185 114.554 -0.084 0.000 2.971 368 T HA 0.650 5.000 4.350 -0.001 0.000 0.304 368 T C -2.386 172.273 174.700 -0.068 0.000 1.038 368 T CA -0.969 61.080 62.100 -0.084 0.000 1.007 368 T CB 2.152 70.985 68.868 -0.059 0.000 1.055 368 T HN 0.522 nan 8.240 nan 0.000 0.451 369 P HA 0.287 nan 4.420 nan 0.000 0.293 369 P C 0.988 178.178 177.300 -0.184 0.000 1.298 369 P CA -0.766 62.262 63.100 -0.119 0.000 0.757 369 P CB 0.676 32.314 31.700 -0.103 0.000 1.262 370 L N -0.805 120.244 121.223 -0.289 0.000 1.994 370 L HA 0.020 4.360 4.340 -0.001 0.000 0.208 370 L C 0.906 177.432 176.870 -0.573 0.000 1.071 370 L CA 1.550 56.091 54.840 -0.499 0.000 0.745 370 L CB -1.107 40.483 42.059 -0.782 0.000 0.892 370 L HN 0.171 nan 8.230 nan 0.000 0.431 371 F N 0.144 120.002 119.950 -0.153 0.000 2.377 371 F HA 0.421 4.947 4.527 -0.001 0.000 0.360 371 F C -0.099 175.561 175.800 -0.235 0.000 1.147 371 F CA -0.675 57.191 58.000 -0.224 0.000 1.170 371 F CB 0.289 39.222 39.000 -0.112 0.000 1.339 371 F HN -0.373 nan 8.300 nan 0.000 0.552 372 V N 2.801 122.592 119.914 -0.206 0.000 2.487 372 V HA 0.325 4.444 4.120 -0.001 0.000 0.298 372 V C -0.929 175.004 176.094 -0.268 0.000 1.028 372 V CA -1.230 60.988 62.300 -0.136 0.000 0.860 372 V CB 1.499 33.268 31.823 -0.089 0.000 0.991 372 V HN 0.580 nan 8.190 nan 0.000 0.427 373 W N 4.185 125.487 121.300 0.004 0.000 2.361 373 W HA 0.628 5.288 4.660 -0.001 0.000 0.309 373 W C 0.245 176.731 176.519 -0.056 0.000 1.122 373 W CA -0.518 56.798 57.345 -0.048 0.000 1.208 373 W CB 1.197 30.610 29.460 -0.079 0.000 1.246 373 W HN 0.290 nan 8.180 nan 0.000 0.490 374 K N 2.484 122.968 120.400 0.142 0.000 2.316 374 K HA 0.674 4.994 4.320 -0.001 0.000 0.251 374 K C -1.224 175.413 176.600 0.062 0.000 0.934 374 K CA -1.128 55.198 56.287 0.065 0.000 0.802 374 K CB 2.556 35.066 32.500 0.017 0.000 1.171 374 K HN 0.145 nan 8.250 nan 0.000 0.426 375 V N 2.578 122.509 119.914 0.029 0.000 2.444 375 V HA 0.164 4.283 4.120 -0.001 0.000 0.294 375 V C 0.220 176.325 176.094 0.018 0.000 1.022 375 V CA -0.849 61.463 62.300 0.020 0.000 0.850 375 V CB 1.039 32.856 31.823 -0.010 0.000 0.992 375 V HN 0.930 nan 8.190 nan 0.000 0.426 376 N N 3.433 122.156 118.700 0.038 0.000 2.735 376 N HA -0.203 4.537 4.740 -0.001 0.000 0.248 376 N C 1.025 176.549 175.510 0.024 0.000 1.083 376 N CA 1.942 55.016 53.050 0.039 0.000 0.703 376 N CB -1.043 37.470 38.487 0.043 0.000 1.005 376 N HN 1.655 nan 8.380 nan 0.000 0.550 377 G N -2.669 106.143 108.800 0.019 0.000 2.176 377 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.232 377 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.232 377 G C -0.064 174.835 174.900 -0.001 0.000 0.986 377 G CA 0.619 45.724 45.100 0.008 0.000 0.643 377 G HN 1.342 nan 8.290 nan 0.000 0.522 378 S N 1.182 116.881 115.700 -0.002 0.000 2.619 378 S HA 0.508 4.977 4.470 -0.001 0.000 0.280 378 S C -0.857 173.738 174.600 -0.009 0.000 1.150 378 S CA 0.057 58.250 58.200 -0.011 0.000 0.978 378 S CB 1.144 64.332 63.200 -0.020 0.000 1.041 378 S HN 0.554 nan 8.310 nan 0.000 0.485 379 D N 4.300 124.696 120.400 -0.006 0.000 2.348 379 D HA 0.139 4.778 4.640 -0.001 0.000 0.253 379 D C 0.507 176.792 176.300 -0.025 0.000 1.161 379 D CA -0.353 53.650 54.000 0.005 0.000 0.876 379 D CB 0.655 41.465 40.800 0.016 0.000 1.160 379 D HN 0.574 nan 8.370 nan 0.000 0.459 380 I N 1.922 122.470 120.570 -0.037 0.000 2.813 380 I HA -0.013 4.156 4.170 -0.001 0.000 0.287 380 I C 0.060 176.124 176.117 -0.088 0.000 1.196 380 I CA 0.290 61.545 61.300 -0.076 0.000 1.421 380 I CB 0.331 38.270 38.000 -0.102 0.000 1.365 380 I HN 0.400 nan 8.210 nan 0.000 0.591 381 N N 6.772 125.404 118.700 -0.114 0.000 2.655 381 N HA 0.202 4.941 4.740 -0.001 0.000 0.277 381 N C -1.183 174.223 175.510 -0.173 0.000 1.177 381 N CA -0.426 52.534 53.050 -0.149 0.000 0.882 381 N CB 1.558 39.971 38.487 -0.123 0.000 1.481 381 N HN 0.374 nan 8.380 nan 0.000 0.547 382 V N 0.364 120.141 119.914 -0.228 0.000 2.863 382 V HA 0.602 4.721 4.120 -0.001 0.000 0.307 382 V C 0.085 176.018 176.094 -0.268 0.000 1.061 382 V CA -0.504 61.674 62.300 -0.204 0.000 1.024 382 V CB 1.755 33.473 31.823 -0.176 0.000 1.049 382 V HN 0.514 nan 8.190 nan 0.000 0.471 383 D N 2.646 122.967 120.400 -0.132 0.000 2.454 383 D HA 0.258 4.898 4.640 -0.001 0.000 0.225 383 D C 0.530 176.843 176.300 0.022 0.000 1.081 383 D CA -0.526 53.416 54.000 -0.097 0.000 0.864 383 D CB 0.672 41.481 40.800 0.016 0.000 1.040 383 D HN 0.675 nan 8.370 nan 0.000 0.517 384 W N 2.698 123.931 121.300 -0.111 0.000 2.341 384 W HA -0.046 4.614 4.660 -0.000 0.000 0.283 384 W C 1.905 178.385 176.519 -0.065 0.000 1.215 384 W CA 1.171 58.416 57.345 -0.166 0.000 1.211 384 W CB -0.813 28.504 29.460 -0.238 0.000 1.131 384 W HN 0.584 nan 8.180 nan 0.000 0.552 385 G N -0.630 108.342 108.800 0.286 0.000 2.985 385 G HA2 -0.032 3.928 3.960 -0.001 0.000 0.209 385 G HA3 -0.032 3.928 3.960 -0.001 0.000 0.209 385 G C 0.586 175.587 174.900 0.168 0.000 1.165 385 G CA -0.022 45.255 45.100 0.295 0.000 0.776 385 G HN 0.138 nan 8.290 nan 0.000 0.541 386 K N 0.799 121.290 120.400 0.153 0.000 2.984 386 K HA 0.323 4.643 4.320 -0.001 0.000 0.211 386 K C -2.958 173.794 176.600 0.254 0.000 1.174 386 K CA -1.365 55.018 56.287 0.160 0.000 0.978 386 K CB 1.955 34.517 32.500 0.103 0.000 1.212 386 K HN -0.088 nan 8.250 nan 0.000 0.589 387 P HA 0.011 nan 4.420 nan 0.000 0.269 387 P C 1.131 178.640 177.300 0.347 0.000 1.215 387 P CA -0.548 62.721 63.100 0.282 0.000 0.780 387 P CB 0.553 32.472 31.700 0.365 0.000 0.898 388 I N 1.616 122.303 120.570 0.194 0.000 2.181 388 I HA -0.244 3.925 4.170 -0.001 0.000 0.247 388 I C 1.958 178.160 176.117 0.142 0.000 1.081 388 I CA 1.785 63.158 61.300 0.123 0.000 1.340 388 I CB -1.234 36.673 38.000 -0.154 0.000 1.036 388 I HN 0.384 nan 8.210 nan 0.000 0.417 389 I N 0.768 121.344 120.570 0.009 0.000 2.399 389 I HA -0.286 3.883 4.170 -0.001 0.000 0.254 389 I C 2.282 178.268 176.117 -0.220 0.000 1.146 389 I CA 1.505 62.675 61.300 -0.217 0.000 1.412 389 I CB -1.408 36.284 38.000 -0.514 0.000 1.076 389 I HN 0.281 nan 8.210 nan 0.000 0.432 390 D N 0.064 120.516 120.400 0.085 0.000 2.117 390 D HA -0.210 4.429 4.640 -0.001 0.000 0.198 390 D C 2.213 178.539 176.300 0.044 0.000 0.982 390 D CA 1.310 55.391 54.000 0.135 0.000 0.828 390 D CB -0.064 40.903 40.800 0.278 0.000 0.967 390 D HN 0.283 nan 8.370 nan 0.000 0.464 391 Y N 0.359 120.716 120.300 0.094 0.000 2.165 391 Y HA -0.147 4.403 4.550 -0.000 0.000 0.286 391 Y C 2.346 178.298 175.900 0.086 0.000 1.155 391 Y CA 0.665 58.838 58.100 0.120 0.000 1.164 391 Y CB -0.263 38.367 38.460 0.282 0.000 0.978 391 Y HN 0.095 nan 8.280 nan 0.000 0.513 392 I N -0.250 120.450 120.570 0.216 0.000 2.179 392 I HA -0.288 3.881 4.170 -0.001 0.000 0.242 392 I C 2.158 178.285 176.117 0.018 0.000 1.088 392 I CA 1.649 63.003 61.300 0.090 0.000 1.357 392 I CB -1.220 36.779 38.000 -0.001 0.000 1.051 392 I HN 0.290 nan 8.210 nan 0.000 0.409 393 L N 0.391 121.589 121.223 -0.041 0.000 2.376 393 L HA -0.130 4.209 4.340 -0.001 0.000 0.219 393 L C 2.101 178.963 176.870 -0.013 0.000 1.133 393 L CA 1.438 56.245 54.840 -0.055 0.000 0.816 393 L CB -0.544 41.446 42.059 -0.115 0.000 0.933 393 L HN 0.410 nan 8.230 nan 0.000 0.449 394 T N -5.076 109.478 114.554 0.000 0.000 3.054 394 T HA 0.252 4.602 4.350 -0.001 0.000 0.255 394 T C 1.335 176.039 174.700 0.007 0.000 1.035 394 T CA 0.324 62.422 62.100 -0.002 0.000 0.941 394 T CB 0.718 69.570 68.868 -0.026 0.000 1.026 394 T HN 0.320 nan 8.240 nan 0.000 0.533 395 G N 2.123 110.940 108.800 0.028 0.000 2.198 395 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.260 395 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.260 395 G C -0.118 174.798 174.900 0.026 0.000 1.025 395 G CA 0.037 45.156 45.100 0.032 0.000 0.769 395 G HN 0.732 nan 8.290 nan 0.000 0.507 396 N N 0.465 119.192 118.700 0.046 0.000 2.419 396 N HA 0.419 5.158 4.740 -0.001 0.000 0.264 396 N C 1.354 176.854 175.510 -0.016 0.000 1.031 396 N CA 0.438 53.508 53.050 0.032 0.000 0.951 396 N CB 1.049 39.555 38.487 0.032 0.000 1.101 396 N HN 0.335 nan 8.380 nan 0.000 0.488 397 T N -1.012 113.422 114.554 -0.199 0.000 3.134 397 T HA 0.157 4.507 4.350 -0.001 0.000 0.260 397 T C 0.137 174.362 174.700 -0.791 0.000 1.027 397 T CA -0.352 61.390 62.100 -0.597 0.000 0.913 397 T CB -0.292 68.404 68.868 -0.287 0.000 1.046 397 T HN 0.233 nan 8.240 nan 0.000 0.553 398 S N 2.502 117.959 115.700 -0.405 0.000 3.812 398 S HA 0.311 4.780 4.470 -0.001 0.000 0.195 398 S C -0.701 173.781 174.600 -0.197 0.000 1.460 398 S CA -0.810 57.251 58.200 -0.232 0.000 1.052 398 S CB -1.021 62.152 63.200 -0.045 0.000 1.385 398 S HN 0.507 nan 8.310 nan 0.000 0.490 399 Y N 1.606 121.815 120.300 -0.153 0.000 2.526 399 Y HA 0.247 4.797 4.550 -0.001 0.000 0.330 399 Y C -1.901 173.885 175.900 -0.190 0.000 1.156 399 Y CA -2.716 55.153 58.100 -0.386 0.000 1.419 399 Y CB -1.052 37.177 38.460 -0.386 0.000 1.250 399 Y HN 0.278 nan 8.280 nan 0.000 0.540 400 P HA -0.048 nan 4.420 nan 0.000 0.266 400 P C 0.851 178.146 177.300 -0.009 0.000 1.193 400 P CA 0.007 63.111 63.100 0.006 0.000 0.770 400 P CB 0.773 32.482 31.700 0.014 0.000 0.836 401 V N 1.727 121.639 119.914 -0.004 0.000 2.324 401 V HA -0.260 3.859 4.120 -0.001 0.000 0.250 401 V C 1.965 178.039 176.094 -0.033 0.000 1.060 401 V CA 2.472 64.765 62.300 -0.012 0.000 1.042 401 V CB -1.101 30.717 31.823 -0.008 0.000 0.650 401 V HN 0.599 nan 8.190 nan 0.000 0.450 402 S N -0.760 114.917 115.700 -0.039 0.000 2.555 402 S HA -0.118 4.351 4.470 -0.001 0.000 0.230 402 S C 1.465 176.015 174.600 -0.084 0.000 0.978 402 S CA 0.662 58.828 58.200 -0.057 0.000 0.934 402 S CB -0.344 62.822 63.200 -0.056 0.000 0.766 402 S HN 0.613 nan 8.310 nan 0.000 0.533 403 D N 1.587 121.931 120.400 -0.093 0.000 2.355 403 D HA 0.037 4.677 4.640 -0.001 0.000 0.218 403 D C -0.005 176.204 176.300 -0.152 0.000 1.004 403 D CA 0.170 54.088 54.000 -0.136 0.000 0.880 403 D CB -0.130 40.568 40.800 -0.171 0.000 0.911 403 D HN 0.158 nan 8.370 nan 0.000 0.528 404 N N 0.985 119.614 118.700 -0.118 0.000 2.714 404 N HA -0.180 4.559 4.740 -0.001 0.000 0.252 404 N C -0.440 174.968 175.510 -0.170 0.000 1.014 404 N CA 0.357 53.332 53.050 -0.125 0.000 0.735 404 N CB -1.138 37.271 38.487 -0.130 0.000 0.924 404 N HN 0.306 nan 8.380 nan 0.000 0.540 405 I N 0.563 121.032 120.570 -0.167 0.000 2.587 405 I HA -0.014 4.155 4.170 -0.001 0.000 0.284 405 I C 0.781 176.832 176.117 -0.110 0.000 1.134 405 I CA 0.146 61.326 61.300 -0.199 0.000 1.410 405 I CB 0.217 38.051 38.000 -0.277 0.000 1.392 405 I HN -0.142 nan 8.210 nan 0.000 0.545 406 V N 7.560 127.404 119.914 -0.117 0.000 2.275 406 V HA 0.202 4.321 4.120 -0.001 0.000 0.272 406 V C 0.426 176.596 176.094 0.127 0.000 1.028 406 V CA -0.691 61.614 62.300 0.008 0.000 0.810 406 V CB 0.975 32.746 31.823 -0.087 0.000 1.043 406 V HN 0.720 nan 8.190 nan 0.000 0.453 407 Q N 3.427 123.300 119.800 0.123 0.000 2.313 407 Q HA 0.442 4.781 4.340 -0.001 0.000 0.266 407 Q C -1.026 175.101 176.000 0.212 0.000 0.989 407 Q CA -0.073 55.814 55.803 0.140 0.000 0.890 407 Q CB 1.361 30.173 28.738 0.123 0.000 1.200 407 Q HN 0.584 nan 8.270 nan 0.000 0.396 408 V N 5.022 125.065 119.914 0.215 0.000 2.398 408 V HA 0.127 4.247 4.120 -0.001 0.000 0.282 408 V C -0.460 175.724 176.094 0.151 0.000 1.014 408 V CA -0.611 61.824 62.300 0.224 0.000 0.838 408 V CB 1.369 33.356 31.823 0.274 0.000 1.018 408 V HN 0.883 nan 8.190 nan 0.000 0.432 409 D N 2.721 123.190 120.400 0.116 0.000 2.305 409 D HA 0.126 4.766 4.640 -0.001 0.000 0.206 409 D C 1.430 177.768 176.300 0.063 0.000 0.974 409 D CA 0.619 54.670 54.000 0.086 0.000 0.871 409 D CB 0.493 41.337 40.800 0.074 0.000 0.947 409 D HN 0.674 nan 8.370 nan 0.000 0.516 410 A N 1.187 124.037 122.820 0.049 0.000 2.591 410 A HA 0.039 4.358 4.320 -0.001 0.000 0.244 410 A C 0.414 178.008 177.584 0.016 0.000 1.031 410 A CA 0.232 52.281 52.037 0.020 0.000 0.767 410 A CB 0.191 19.185 19.000 -0.009 0.000 0.942 410 A HN -0.003 nan 8.150 nan 0.000 0.514 411 V N 4.228 124.147 119.914 0.009 0.000 2.368 411 V HA 0.217 4.336 4.120 -0.001 0.000 0.266 411 V C 0.603 176.683 176.094 -0.023 0.000 1.045 411 V CA 0.817 63.121 62.300 0.008 0.000 0.899 411 V CB 0.353 32.184 31.823 0.014 0.000 1.006 411 V HN 1.157 nan 8.190 nan 0.000 0.470 412 D N 3.539 123.914 120.400 -0.042 0.000 2.689 412 D HA -0.166 4.473 4.640 -0.001 0.000 0.237 412 D C 0.109 176.308 176.300 -0.168 0.000 1.148 412 D CA 0.953 54.892 54.000 -0.102 0.000 0.656 412 D CB -0.164 40.593 40.800 -0.072 0.000 1.050 412 D HN 0.556 nan 8.370 nan 0.000 0.426 413 Q N -0.504 119.188 119.800 -0.179 0.000 2.348 413 Q HA 0.426 4.765 4.340 -0.001 0.000 0.271 413 Q C -0.242 175.590 176.000 -0.280 0.000 1.067 413 Q CA -0.582 55.123 55.803 -0.164 0.000 0.839 413 Q CB 0.640 29.344 28.738 -0.055 0.000 1.354 413 Q HN 0.261 nan 8.270 nan 0.000 0.447 414 W N 1.780 122.994 121.300 -0.144 0.000 2.251 414 W HA 0.215 4.874 4.660 -0.001 0.000 0.327 414 W C 0.661 176.929 176.519 -0.419 0.000 1.361 414 W CA 0.159 57.319 57.345 -0.309 0.000 1.234 414 W CB 0.634 29.918 29.460 -0.294 0.000 1.212 414 W HN 0.378 nan 8.180 nan 0.000 0.557 415 T N 0.764 115.064 114.554 -0.424 0.000 2.863 415 T HA 0.562 4.911 4.350 -0.001 0.000 0.285 415 T C -1.225 172.935 174.700 -0.900 0.000 1.009 415 T CA -0.881 60.871 62.100 -0.580 0.000 0.989 415 T CB 1.118 69.646 68.868 -0.567 0.000 1.004 415 T HN 0.204 nan 8.240 nan 0.000 0.455 416 Y N 0.565 120.376 120.300 -0.815 0.000 2.377 416 Y HA 0.615 5.165 4.550 -0.001 0.000 0.339 416 Y C -0.844 174.493 175.900 -0.937 0.000 1.011 416 Y CA -1.060 56.666 58.100 -0.624 0.000 1.093 416 Y CB 1.767 40.063 38.460 -0.273 0.000 1.201 416 Y HN 0.717 nan 8.280 nan 0.000 0.455 417 W N 5.125 126.409 121.300 -0.027 0.000 2.647 417 W HA 0.516 5.176 4.660 -0.001 0.000 0.328 417 W C -1.453 175.048 176.519 -0.031 0.000 1.018 417 W CA -0.694 56.655 57.345 0.007 0.000 1.245 417 W CB 1.374 30.823 29.460 -0.019 0.000 1.356 417 W HN 0.257 nan 8.180 nan 0.000 0.443 418 L N 5.426 126.765 121.223 0.195 0.000 2.255 418 L HA 0.575 4.915 4.340 -0.001 0.000 0.289 418 L C -0.796 176.212 176.870 0.230 0.000 1.046 418 L CA -0.422 54.481 54.840 0.104 0.000 0.816 418 L CB -0.005 42.037 42.059 -0.028 0.000 1.197 418 L HN 0.320 nan 8.230 nan 0.000 0.427 419 I N 4.817 125.545 120.570 0.264 0.000 2.315 419 I HA 0.310 4.480 4.170 -0.001 0.000 0.291 419 I C -0.003 176.288 176.117 0.290 0.000 1.006 419 I CA 0.003 61.473 61.300 0.283 0.000 1.265 419 I CB 1.082 39.264 38.000 0.303 0.000 1.387 419 I HN 0.565 nan 8.210 nan 0.000 0.475 420 E N 4.716 125.067 120.200 0.252 0.000 2.151 420 E HA 0.246 4.596 4.350 -0.001 0.000 0.275 420 E C -0.487 176.249 176.600 0.227 0.000 0.936 420 E CA -0.689 55.874 56.400 0.272 0.000 0.777 420 E CB 1.256 31.093 29.700 0.228 0.000 1.108 420 E HN 0.302 nan 8.360 nan 0.000 0.401 421 N N 3.229 122.078 118.700 0.248 0.000 3.229 421 N HA 0.003 4.743 4.740 -0.001 0.000 0.275 421 N C -0.832 174.796 175.510 0.196 0.000 1.225 421 N CA -0.036 53.149 53.050 0.225 0.000 1.119 421 N CB -0.267 38.367 38.487 0.244 0.000 1.392 421 N HN 0.472 nan 8.380 nan 0.000 0.520 422 D N 0.556 121.053 120.400 0.162 0.000 2.697 422 D HA -0.156 4.483 4.640 -0.001 0.000 0.235 422 D C -1.486 174.874 176.300 0.100 0.000 1.167 422 D CA 0.154 54.220 54.000 0.110 0.000 0.656 422 D CB 0.112 40.964 40.800 0.087 0.000 1.025 422 D HN 0.408 nan 8.370 nan 0.000 0.419 423 P HA -0.119 nan 4.420 nan 0.000 0.225 423 P C 0.848 178.195 177.300 0.077 0.000 1.148 423 P CA 0.904 64.078 63.100 0.122 0.000 0.779 423 P CB 0.361 32.159 31.700 0.162 0.000 0.780 424 E N -0.399 119.838 120.200 0.061 0.000 2.474 424 E HA 0.174 4.523 4.350 -0.001 0.000 0.195 424 E C 1.348 177.962 176.600 0.023 0.000 1.039 424 E CA 0.055 56.479 56.400 0.040 0.000 0.881 424 E CB -0.124 29.598 29.700 0.036 0.000 0.970 424 E HN 0.179 nan 8.360 nan 0.000 0.486 425 G N 2.492 111.299 108.800 0.012 0.000 2.562 425 G HA2 0.234 4.193 3.960 -0.001 0.000 0.275 425 G HA3 0.234 4.193 3.960 -0.001 0.000 0.275 425 G C -1.344 173.558 174.900 0.003 0.000 1.196 425 G CA -0.929 44.157 45.100 -0.023 0.000 0.908 425 G HN -0.105 nan 8.290 nan 0.000 0.524 426 P HA 0.030 nan 4.420 nan 0.000 0.221 426 P C -0.059 177.397 177.300 0.261 0.000 1.150 426 P CA 0.988 64.167 63.100 0.132 0.000 0.800 426 P CB -0.042 31.767 31.700 0.181 0.000 0.787 427 F N -2.826 117.157 119.950 0.056 0.000 2.678 427 F HA 0.750 5.276 4.527 -0.001 0.000 0.308 427 F C -1.221 174.648 175.800 0.114 0.000 1.118 427 F CA -1.472 56.573 58.000 0.074 0.000 0.959 427 F CB 0.986 40.028 39.000 0.069 0.000 1.305 427 F HN -0.312 nan 8.300 nan 0.000 0.443 428 S N 2.280 118.071 115.700 0.152 0.000 2.570 428 S HA 0.886 5.355 4.470 -0.001 0.000 0.286 428 S C -1.601 173.113 174.600 0.190 0.000 1.099 428 S CA -0.662 57.598 58.200 0.100 0.000 0.913 428 S CB 1.329 64.600 63.200 0.117 0.000 1.085 428 S HN 0.780 nan 8.310 nan 0.000 0.480 429 L N 3.048 124.346 121.223 0.124 0.000 2.354 429 L HA 0.599 4.938 4.340 -0.001 0.000 0.264 429 L C -2.472 174.239 176.870 -0.266 0.000 1.008 429 L CA -2.709 52.123 54.840 -0.014 0.000 0.819 429 L CB 2.354 44.414 42.059 0.001 0.000 1.339 429 L HN 0.465 nan 8.230 nan 0.000 0.420 430 P HA 0.153 nan 4.420 nan 0.000 0.271 430 P C -1.338 175.733 177.300 -0.383 0.000 1.218 430 P CA 0.044 63.022 63.100 -0.204 0.000 0.780 430 P CB 0.434 32.053 31.700 -0.135 0.000 0.901 431 H N 1.909 121.012 119.070 0.055 0.000 2.689 431 H HA 0.254 4.809 4.556 -0.001 0.000 0.346 431 H C -2.384 173.024 175.328 0.133 0.000 1.037 431 H CA -1.964 54.126 56.048 0.070 0.000 1.234 431 H CB 2.062 31.808 29.762 -0.027 0.000 1.572 431 H HN 0.274 nan 8.280 nan 0.000 0.524 432 P HA 0.095 nan 4.420 nan 0.000 0.273 432 P C -0.196 177.222 177.300 0.197 0.000 1.428 432 P CA -0.375 62.886 63.100 0.269 0.000 0.995 432 P CB 0.271 32.108 31.700 0.229 0.000 1.286 433 M N 3.538 123.241 119.600 0.171 0.000 2.180 433 M HA 0.248 4.727 4.480 -0.001 0.000 0.358 433 M C 0.166 176.613 176.300 0.246 0.000 1.233 433 M CA -0.261 55.057 55.300 0.030 0.000 1.114 433 M CB -0.050 32.515 32.600 -0.059 0.000 1.594 433 M HN 0.415 nan 8.290 nan 0.000 0.467 434 H N 2.757 121.815 119.070 -0.020 0.000 2.600 434 H HA 0.670 5.226 4.556 -0.001 0.000 0.357 434 H C -2.035 173.465 175.328 0.287 0.000 1.106 434 H CA -0.831 55.313 56.048 0.160 0.000 1.193 434 H CB 1.345 31.119 29.762 0.021 0.000 1.594 434 H HN 0.575 nan 8.280 nan 0.000 0.526 435 L N 5.753 126.967 121.223 -0.016 0.000 2.305 435 L HA 0.340 4.680 4.340 -0.001 0.000 0.284 435 L C -0.723 175.954 176.870 -0.321 0.000 1.013 435 L CA -0.240 54.649 54.840 0.081 0.000 0.819 435 L CB 0.678 42.903 42.059 0.277 0.000 1.227 435 L HN 0.794 nan 8.230 nan 0.000 0.417 436 H N 3.920 122.829 119.070 -0.269 0.000 2.629 436 H HA 0.361 4.917 4.556 -0.001 0.000 0.357 436 H C 0.935 176.031 175.328 -0.387 0.000 1.121 436 H CA 0.296 56.261 56.048 -0.139 0.000 1.406 436 H CB 1.070 30.960 29.762 0.213 0.000 1.456 436 H HN 0.946 nan 8.280 nan 0.000 0.579 437 G N 1.729 110.174 108.800 -0.592 0.000 2.179 437 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.260 437 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.260 437 G C -0.032 174.081 174.900 -1.311 0.000 0.977 437 G CA 0.118 44.287 45.100 -1.553 0.000 0.641 437 G HN 0.804 nan 8.290 nan 0.000 0.533 438 H N -0.441 118.248 119.070 -0.635 0.000 3.064 438 H HA 0.275 4.831 4.556 -0.000 0.000 0.352 438 H C -1.412 173.715 175.328 -0.335 0.000 1.260 438 H CA -0.811 54.969 56.048 -0.448 0.000 1.160 438 H CB 1.360 30.810 29.762 -0.519 0.000 1.879 438 H HN 0.180 nan 8.280 nan 0.000 0.544 439 D N 2.141 122.480 120.400 -0.102 0.000 2.255 439 D HA 0.192 4.831 4.640 -0.001 0.000 0.249 439 D C 0.057 176.330 176.300 -0.044 0.000 1.078 439 D CA -0.034 53.857 54.000 -0.181 0.000 0.896 439 D CB 1.125 41.859 40.800 -0.110 0.000 1.194 439 D HN 0.183 nan 8.370 nan 0.000 0.429 440 F N -0.319 119.681 119.950 0.083 0.000 2.440 440 F HA 0.525 5.052 4.527 0.000 0.000 0.328 440 F C -0.265 175.619 175.800 0.140 0.000 1.070 440 F CA -1.390 56.695 58.000 0.142 0.000 1.011 440 F CB 0.394 39.464 39.000 0.117 0.000 1.226 440 F HN 0.017 nan 8.300 nan 0.000 0.491 441 L N 2.613 124.103 121.223 0.445 0.000 2.292 441 L HA 0.435 4.775 4.340 -0.001 0.000 0.284 441 L C -0.534 176.503 176.870 0.277 0.000 1.065 441 L CA -1.153 53.841 54.840 0.256 0.000 0.806 441 L CB 1.435 43.511 42.059 0.028 0.000 1.175 441 L HN 0.473 nan 8.230 nan 0.000 0.431 442 V N 5.644 125.712 119.914 0.257 0.000 2.356 442 V HA 0.093 4.213 4.120 -0.001 0.000 0.258 442 V C 1.075 177.230 176.094 0.102 0.000 1.065 442 V CA -0.076 62.340 62.300 0.193 0.000 0.935 442 V CB 0.957 32.916 31.823 0.226 0.000 1.061 442 V HN 0.710 nan 8.190 nan 0.000 0.484 443 L N 3.809 125.075 121.223 0.072 0.000 2.307 443 L HA 0.487 4.827 4.340 -0.001 0.000 0.211 443 L C 1.138 178.064 176.870 0.094 0.000 1.099 443 L CA 0.890 55.761 54.840 0.052 0.000 0.816 443 L CB 0.103 42.172 42.059 0.017 0.000 0.952 443 L HN 0.826 nan 8.230 nan 0.000 0.455 444 G N 0.104 108.979 108.800 0.124 0.000 2.316 444 G HA2 0.396 4.355 3.960 -0.001 0.000 0.296 444 G HA3 0.396 4.355 3.960 -0.001 0.000 0.296 444 G C -1.690 173.259 174.900 0.081 0.000 1.399 444 G CA -0.837 44.346 45.100 0.139 0.000 0.833 444 G HN 0.125 nan 8.290 nan 0.000 0.565 445 R N -1.540 118.833 120.500 -0.211 0.000 2.781 445 R HA 0.789 5.128 4.340 -0.001 0.000 0.269 445 R C 0.219 175.716 176.300 -1.339 0.000 1.025 445 R CA -0.292 55.392 56.100 -0.692 0.000 0.914 445 R CB 0.894 30.977 30.300 -0.362 0.000 1.236 445 R HN 1.204 nan 8.270 nan 0.000 0.465 446 S N 0.456 115.052 115.700 -1.840 0.000 2.566 446 S HA 0.181 4.651 4.470 -0.001 0.000 0.280 446 S C -2.084 171.968 174.600 -0.912 0.000 1.343 446 S CA -0.823 56.469 58.200 -1.512 0.000 1.036 446 S CB -0.091 62.337 63.200 -1.286 0.000 0.866 446 S HN 0.460 nan 8.310 nan 0.000 0.526 447 P HA 0.126 nan 4.420 nan 0.000 0.265 447 P C -0.721 176.316 177.300 -0.438 0.000 1.187 447 P CA 0.041 62.783 63.100 -0.597 0.000 0.766 447 P CB 0.184 31.551 31.700 -0.555 0.000 0.820 448 D N 1.466 121.719 120.400 -0.245 0.000 2.401 448 D HA 0.187 4.827 4.640 -0.001 0.000 0.254 448 D C 0.343 176.594 176.300 -0.081 0.000 1.192 448 D CA 0.377 54.284 54.000 -0.155 0.000 0.885 448 D CB 0.154 40.883 40.800 -0.119 0.000 1.147 448 D HN 0.086 nan 8.370 nan 0.000 0.478 449 V N 0.263 120.159 119.914 -0.029 0.000 3.167 449 V HA 0.695 4.815 4.120 -0.001 0.000 0.310 449 V C -2.817 173.288 176.094 0.019 0.000 1.207 449 V CA -2.522 59.800 62.300 0.036 0.000 1.059 449 V CB 1.480 33.391 31.823 0.147 0.000 1.079 449 V HN 0.139 nan 8.190 nan 0.000 0.446 450 P HA 0.296 nan 4.420 nan 0.000 0.263 450 P C 0.796 178.112 177.300 0.026 0.000 1.195 450 P CA 0.663 63.774 63.100 0.017 0.000 0.762 450 P CB 0.991 32.705 31.700 0.023 0.000 0.799 451 A N 4.346 127.171 122.820 0.008 0.000 1.948 451 A HA -0.190 4.130 4.320 -0.001 0.000 0.220 451 A C 1.870 179.477 177.584 0.038 0.000 1.177 451 A CA 2.157 54.201 52.037 0.011 0.000 0.636 451 A CB -1.215 17.777 19.000 -0.013 0.000 0.815 451 A HN 0.553 nan 8.150 nan 0.000 0.449 452 A N -0.278 122.568 122.820 0.042 0.000 2.345 452 A HA 0.330 4.650 4.320 -0.001 0.000 0.225 452 A C 1.907 179.523 177.584 0.053 0.000 1.243 452 A CA 0.990 53.058 52.037 0.053 0.000 0.875 452 A CB -0.543 18.485 19.000 0.046 0.000 0.929 452 A HN 0.872 nan 8.150 nan 0.000 0.502 453 S N -0.883 114.847 115.700 0.051 0.000 2.561 453 S HA -0.079 4.390 4.470 -0.001 0.000 0.225 453 S C 0.853 175.482 174.600 0.048 0.000 0.977 453 S CA 0.724 58.952 58.200 0.046 0.000 0.926 453 S CB -0.209 63.018 63.200 0.046 0.000 0.769 453 S HN 0.463 nan 8.310 nan 0.000 0.533 454 Q N 0.100 119.940 119.800 0.067 0.000 2.422 454 Q HA -0.218 4.121 4.340 -0.001 0.000 0.245 454 Q C -0.494 175.524 176.000 0.031 0.000 0.922 454 Q CA 1.053 56.898 55.803 0.071 0.000 1.192 454 Q CB -2.291 26.497 28.738 0.084 0.000 1.641 454 Q HN 0.828 nan 8.270 nan 0.000 0.552 455 Q N 0.593 120.401 119.800 0.014 0.000 2.337 455 Q HA 0.215 4.555 4.340 -0.001 0.000 0.270 455 Q C 0.228 176.151 176.000 -0.129 0.000 1.002 455 Q CA 0.293 56.047 55.803 -0.082 0.000 0.888 455 Q CB 0.739 29.440 28.738 -0.062 0.000 1.222 455 Q HN 0.033 nan 8.270 nan 0.000 0.400 456 R N 2.142 122.454 120.500 -0.314 0.000 2.740 456 R HA 0.561 4.900 4.340 -0.001 0.000 0.282 456 R C -1.104 174.905 176.300 -0.485 0.000 0.969 456 R CA -0.604 55.374 56.100 -0.203 0.000 0.918 456 R CB 1.068 31.333 30.300 -0.058 0.000 1.175 456 R HN 0.477 nan 8.270 nan 0.000 0.464 457 F N 0.174 120.224 119.950 0.168 0.000 2.547 457 F HA 0.419 4.946 4.527 0.000 0.000 0.316 457 F C -0.127 175.909 175.800 0.393 0.000 1.121 457 F CA -0.970 57.189 58.000 0.265 0.000 0.911 457 F CB 2.142 41.310 39.000 0.280 0.000 1.179 457 F HN -0.020 nan 8.300 nan 0.000 0.443 458 V N 3.516 123.698 119.914 0.447 0.000 2.459 458 V HA 0.258 4.378 4.120 -0.001 0.000 0.295 458 V C -0.283 175.928 176.094 0.195 0.000 1.029 458 V CA -1.104 61.389 62.300 0.321 0.000 0.874 458 V CB 1.640 33.572 31.823 0.181 0.000 0.985 458 V HN 0.616 nan 8.190 nan 0.000 0.438 459 F N 4.251 124.041 119.950 -0.268 0.000 2.580 459 F HA 0.077 4.603 4.527 -0.002 0.000 0.398 459 F C 0.382 176.059 175.800 -0.204 0.000 1.023 459 F CA 0.661 58.296 58.000 -0.608 0.000 1.188 459 F CB 0.223 38.708 39.000 -0.859 0.000 1.005 459 F HN 0.609 nan 8.300 nan 0.000 0.546 460 D N 9.125 129.165 120.400 -0.599 0.000 2.462 460 D HA 0.293 4.932 4.640 -0.001 0.000 0.245 460 D C -1.910 174.053 176.300 -0.563 0.000 1.122 460 D CA -2.403 51.382 54.000 -0.358 0.000 0.864 460 D CB 1.674 42.391 40.800 -0.139 0.000 1.098 460 D HN 0.193 nan 8.370 nan 0.000 0.541 461 P HA -0.085 nan 4.420 nan 0.000 0.220 461 P C 1.035 178.227 177.300 -0.180 0.000 1.148 461 P CA 0.563 63.484 63.100 -0.299 0.000 0.803 461 P CB 0.303 32.000 31.700 -0.005 0.000 0.782 462 A N 0.148 122.887 122.820 -0.135 0.000 2.015 462 A HA -0.060 4.260 4.320 -0.001 0.000 0.219 462 A C 2.212 179.750 177.584 -0.076 0.000 1.163 462 A CA 2.016 54.005 52.037 -0.078 0.000 0.646 462 A CB -1.240 17.728 19.000 -0.053 0.000 0.806 462 A HN 0.234 nan 8.150 nan 0.000 0.448 463 V N -4.307 115.539 119.914 -0.112 0.000 3.212 463 V HA 0.117 4.237 4.120 -0.001 0.000 0.244 463 V C 1.360 177.404 176.094 -0.084 0.000 1.151 463 V CA 1.207 63.465 62.300 -0.070 0.000 1.119 463 V CB -0.235 31.571 31.823 -0.028 0.000 0.838 463 V HN 0.239 nan 8.190 nan 0.000 0.470 464 D N 0.576 120.843 120.400 -0.222 0.000 2.301 464 D HA 0.190 4.830 4.640 -0.001 0.000 0.206 464 D C 2.159 178.415 176.300 -0.072 0.000 0.979 464 D CA 0.729 54.599 54.000 -0.217 0.000 0.874 464 D CB 0.313 40.661 40.800 -0.753 0.000 0.968 464 D HN 0.374 nan 8.370 nan 0.000 0.510 465 L N 1.128 122.303 121.223 -0.080 0.000 2.043 465 L HA -0.196 4.143 4.340 -0.001 0.000 0.212 465 L C 2.418 179.328 176.870 0.067 0.000 1.075 465 L CA 1.324 56.212 54.840 0.080 0.000 0.752 465 L CB -0.389 41.712 42.059 0.071 0.000 0.891 465 L HN -0.012 nan 8.230 nan 0.000 0.432 466 A N -0.271 122.567 122.820 0.030 0.000 2.121 466 A HA -0.141 4.179 4.320 -0.001 0.000 0.218 466 A C 2.188 179.800 177.584 0.047 0.000 1.154 466 A CA 1.099 53.155 52.037 0.031 0.000 0.679 466 A CB -0.391 18.617 19.000 0.014 0.000 0.795 466 A HN 0.398 nan 8.150 nan 0.000 0.458 467 R N -0.886 119.658 120.500 0.074 0.000 2.317 467 R HA 0.299 4.639 4.340 -0.001 0.000 0.208 467 R C -0.333 176.036 176.300 0.116 0.000 0.914 467 R CA -0.206 55.946 56.100 0.088 0.000 1.060 467 R CB -0.062 30.302 30.300 0.106 0.000 1.015 467 R HN 0.394 nan 8.270 nan 0.000 0.498 468 L N 1.079 122.379 121.223 0.129 0.000 2.418 468 L HA 0.227 4.566 4.340 -0.001 0.000 0.265 468 L C 0.006 176.917 176.870 0.068 0.000 1.143 468 L CA -0.610 54.303 54.840 0.122 0.000 0.809 468 L CB 0.533 42.669 42.059 0.129 0.000 1.124 468 L HN -0.060 nan 8.230 nan 0.000 0.456 469 N N 0.397 119.128 118.700 0.052 0.000 2.461 469 N HA 0.375 5.115 4.740 -0.001 0.000 0.284 469 N C 0.028 175.540 175.510 0.003 0.000 1.049 469 N CA -0.383 52.683 53.050 0.026 0.000 0.889 469 N CB 1.966 40.469 38.487 0.027 0.000 1.365 469 N HN 0.635 nan 8.380 nan 0.000 0.499 470 G N 1.274 110.063 108.800 -0.017 0.000 3.324 470 G HA2 0.004 3.964 3.960 -0.001 0.000 0.251 470 G HA3 0.004 3.964 3.960 -0.001 0.000 0.251 470 G C -0.145 174.714 174.900 -0.067 0.000 1.072 470 G CA -0.212 44.850 45.100 -0.063 0.000 0.787 470 G HN 0.539 nan 8.290 nan 0.000 0.537 471 D N 1.519 121.901 120.400 -0.031 0.000 2.494 471 D HA 0.096 4.736 4.640 -0.001 0.000 0.217 471 D C 0.552 176.846 176.300 -0.011 0.000 1.153 471 D CA -0.372 53.617 54.000 -0.020 0.000 0.954 471 D CB -0.285 40.512 40.800 -0.004 0.000 1.034 471 D HN 0.056 nan 8.370 nan 0.000 0.518 472 N N 2.632 121.320 118.700 -0.019 0.000 2.688 472 N HA -0.132 4.608 4.740 -0.001 0.000 0.258 472 N C -2.487 173.031 175.510 0.014 0.000 1.016 472 N CA 0.142 53.193 53.050 0.002 0.000 0.747 472 N CB -0.291 38.208 38.487 0.019 0.000 0.895 472 N HN 0.296 nan 8.380 nan 0.000 0.543 473 P HA 0.254 nan 4.420 nan 0.000 0.275 473 P C -2.536 174.798 177.300 0.057 0.000 1.266 473 P CA -1.026 62.093 63.100 0.032 0.000 0.793 473 P CB -0.077 31.638 31.700 0.025 0.000 1.074 474 P HA 0.117 nan 4.420 nan 0.000 0.264 474 P C -0.153 177.212 177.300 0.109 0.000 1.183 474 P CA 0.745 63.904 63.100 0.097 0.000 0.763 474 P CB 0.214 31.988 31.700 0.122 0.000 0.807 475 R N 3.516 124.059 120.500 0.072 0.000 2.514 475 R HA 0.615 4.954 4.340 -0.001 0.000 0.296 475 R C -0.324 175.945 176.300 -0.052 0.000 1.012 475 R CA -0.648 55.478 56.100 0.044 0.000 0.897 475 R CB 1.069 31.408 30.300 0.065 0.000 1.184 475 R HN 0.621 nan 8.270 nan 0.000 0.440 476 R N 1.051 121.425 120.500 -0.211 0.000 2.944 476 R HA 0.156 4.495 4.340 -0.001 0.000 0.270 476 R C -1.120 174.774 176.300 -0.676 0.000 0.989 476 R CA -0.454 55.465 56.100 -0.302 0.000 0.853 476 R CB -0.034 30.157 30.300 -0.181 0.000 1.430 476 R HN 0.524 nan 8.270 nan 0.000 0.450 477 D N -0.883 119.244 120.400 -0.455 0.000 2.407 477 D HA 0.177 4.816 4.640 -0.001 0.000 0.208 477 D C -0.534 175.754 176.300 -0.019 0.000 1.083 477 D CA 0.135 53.892 54.000 -0.405 0.000 0.844 477 D CB 0.895 41.660 40.800 -0.058 0.000 0.967 477 D HN 0.443 nan 8.370 nan 0.000 0.506 478 T N -0.774 113.827 114.554 0.079 0.000 2.993 478 T HA 0.599 4.949 4.350 -0.001 0.000 0.312 478 T C -1.172 173.783 174.700 0.425 0.000 1.115 478 T CA -0.661 61.687 62.100 0.412 0.000 1.027 478 T CB 2.249 71.267 68.868 0.249 0.000 1.116 478 T HN -0.024 nan 8.240 nan 0.000 0.464 479 T N 2.071 116.943 114.554 0.530 0.000 2.802 479 T HA 0.538 4.888 4.350 -0.001 0.000 0.311 479 T C -1.336 173.541 174.700 0.296 0.000 1.405 479 T CA -0.799 61.536 62.100 0.392 0.000 1.016 479 T CB 1.028 70.171 68.868 0.459 0.000 1.352 479 T HN 0.377 nan 8.240 nan 0.000 0.498 480 M N 3.079 122.825 119.600 0.244 0.000 2.162 480 M HA 0.377 4.856 4.480 -0.001 0.000 0.356 480 M C -0.396 175.981 176.300 0.127 0.000 1.303 480 M CA -0.802 54.615 55.300 0.195 0.000 1.116 480 M CB 0.353 33.050 32.600 0.161 0.000 1.632 480 M HN 0.499 nan 8.290 nan 0.000 0.469 481 L N 7.888 129.194 121.223 0.138 0.000 2.283 481 L HA 0.413 4.752 4.340 -0.001 0.000 0.287 481 L C -2.275 174.643 176.870 0.079 0.000 1.073 481 L CA -1.449 53.464 54.840 0.121 0.000 0.822 481 L CB 0.451 42.616 42.059 0.176 0.000 1.186 481 L HN 0.374 nan 8.230 nan 0.000 0.436 482 P HA 0.103 nan 4.420 nan 0.000 0.268 482 P C -0.747 176.583 177.300 0.050 0.000 1.204 482 P CA -0.187 62.908 63.100 -0.009 0.000 0.768 482 P CB 0.471 32.114 31.700 -0.095 0.000 0.842 483 A N 3.953 126.794 122.820 0.036 0.000 2.592 483 A HA 0.268 4.588 4.320 -0.001 0.000 0.250 483 A C 1.692 179.350 177.584 0.123 0.000 1.017 483 A CA 0.935 53.014 52.037 0.069 0.000 0.794 483 A CB -1.631 17.402 19.000 0.055 0.000 0.917 483 A HN 0.945 nan 8.150 nan 0.000 0.515 484 G N 1.511 110.401 108.800 0.150 0.000 2.175 484 G HA2 -0.027 3.933 3.960 -0.001 0.000 0.265 484 G HA3 -0.027 3.933 3.960 -0.001 0.000 0.265 484 G C 1.046 176.088 174.900 0.237 0.000 0.979 484 G CA 1.219 46.421 45.100 0.169 0.000 0.663 484 G HN 1.997 nan 8.290 nan 0.000 0.533 485 G N -0.835 108.104 108.800 0.232 0.000 3.247 485 G HA2 0.752 4.712 3.960 -0.001 0.000 0.163 485 G HA3 0.752 4.712 3.960 -0.001 0.000 0.163 485 G C -0.028 175.052 174.900 0.300 0.000 1.206 485 G CA -0.113 45.138 45.100 0.251 0.000 0.918 485 G HN 1.173 nan 8.290 nan 0.000 0.625 486 W N -2.130 119.277 121.300 0.178 0.000 3.066 486 W HA 0.707 5.367 4.660 -0.001 0.000 0.330 486 W C -2.659 173.932 176.519 0.120 0.000 1.253 486 W CA -1.065 56.377 57.345 0.163 0.000 1.187 486 W CB 1.168 30.754 29.460 0.210 0.000 1.434 486 W HN 0.640 nan 8.180 nan 0.000 0.572 487 L N 2.920 124.440 121.223 0.496 0.000 2.493 487 L HA 0.645 4.985 4.340 -0.001 0.000 0.265 487 L C -2.053 175.024 176.870 0.345 0.000 0.954 487 L CA -0.684 54.342 54.840 0.310 0.000 0.844 487 L CB 1.910 44.067 42.059 0.163 0.000 1.302 487 L HN 0.417 nan 8.230 nan 0.000 0.405 488 L N 5.573 126.968 121.223 0.288 0.000 2.280 488 L HA 0.670 5.009 4.340 -0.001 0.000 0.287 488 L C -1.305 175.570 176.870 0.009 0.000 1.023 488 L CA 0.002 54.877 54.840 0.059 0.000 0.819 488 L CB 0.990 43.009 42.059 -0.067 0.000 1.212 488 L HN 0.618 nan 8.230 nan 0.000 0.420 489 L N 4.265 125.477 121.223 -0.017 0.000 2.319 489 L HA 0.975 5.315 4.340 -0.001 0.000 0.267 489 L C -0.360 176.506 176.870 -0.007 0.000 1.011 489 L CA -0.930 53.889 54.840 -0.036 0.000 0.818 489 L CB 1.883 43.814 42.059 -0.214 0.000 1.316 489 L HN 0.691 nan 8.230 nan 0.000 0.432 490 A N 1.666 124.510 122.820 0.041 0.000 2.455 490 A HA 0.815 5.134 4.320 -0.001 0.000 0.300 490 A C -1.281 176.492 177.584 0.314 0.000 1.040 490 A CA -0.374 51.633 52.037 -0.050 0.000 0.697 490 A CB 1.419 20.172 19.000 -0.413 0.000 1.265 490 A HN 0.588 nan 8.150 nan 0.000 0.407 491 F N -0.001 120.017 119.950 0.114 0.000 2.599 491 F HA 0.842 5.369 4.527 -0.001 0.000 0.311 491 F C -0.393 175.255 175.800 -0.254 0.000 1.076 491 F CA -1.050 56.951 58.000 0.003 0.000 0.937 491 F CB 1.590 40.413 39.000 -0.295 0.000 1.282 491 F HN 0.629 nan 8.300 nan 0.000 0.460 492 R N 1.192 121.400 120.500 -0.486 0.000 2.265 492 R HA 0.348 4.687 4.340 -0.001 0.000 0.319 492 R C -0.265 175.881 176.300 -0.258 0.000 1.006 492 R CA -0.252 55.371 56.100 -0.795 0.000 0.880 492 R CB 1.256 30.727 30.300 -1.383 0.000 1.077 492 R HN 0.951 nan 8.270 nan 0.000 0.454 493 T N 0.828 115.254 114.554 -0.214 0.000 4.475 493 T HA 0.034 4.384 4.350 -0.001 0.000 0.254 493 T C 0.084 174.835 174.700 0.084 0.000 1.160 493 T CA -0.543 61.578 62.100 0.035 0.000 1.091 493 T CB -0.321 68.548 68.868 0.002 0.000 1.377 493 T HN 0.654 nan 8.240 nan 0.000 1.057 494 D N -0.029 120.454 120.400 0.139 0.000 2.402 494 D HA 0.114 4.754 4.640 -0.001 0.000 0.216 494 D C 0.192 176.526 176.300 0.057 0.000 1.128 494 D CA -0.555 53.471 54.000 0.044 0.000 0.833 494 D CB 0.077 40.855 40.800 -0.038 0.000 0.971 494 D HN 0.409 nan 8.370 nan 0.000 0.503 495 N N 0.724 119.508 118.700 0.141 0.000 2.751 495 N HA 0.247 4.986 4.740 -0.001 0.000 0.238 495 N C -3.033 172.724 175.510 0.413 0.000 1.351 495 N CA -1.512 51.619 53.050 0.135 0.000 0.751 495 N CB 1.318 39.654 38.487 -0.252 0.000 1.342 495 N HN -0.197 nan 8.380 nan 0.000 0.540 496 P HA 0.307 nan 4.420 nan 0.000 0.264 496 P C 0.033 177.462 177.300 0.215 0.000 1.193 496 P CA 0.459 63.703 63.100 0.239 0.000 0.763 496 P CB 0.710 32.486 31.700 0.127 0.000 0.810 497 G N 1.498 110.322 108.800 0.040 0.000 2.325 497 G HA2 0.470 4.430 3.960 -0.001 0.000 0.297 497 G HA3 0.470 4.430 3.960 -0.001 0.000 0.297 497 G C -1.821 172.590 174.900 -0.816 0.000 1.448 497 G CA -0.265 44.509 45.100 -0.543 0.000 0.838 497 G HN 0.404 nan 8.290 nan 0.000 0.579 498 A N -0.171 122.113 122.820 -0.894 0.000 2.294 498 A HA 0.667 4.987 4.320 -0.001 0.000 0.316 498 A C -0.961 176.213 177.584 -0.684 0.000 1.359 498 A CA -0.317 51.354 52.037 -0.610 0.000 0.956 498 A CB -0.225 18.539 19.000 -0.393 0.000 1.155 498 A HN 0.663 nan 8.150 nan 0.000 0.544 499 W N 3.730 125.027 121.300 -0.004 0.000 2.362 499 W HA 0.498 5.157 4.660 -0.001 0.000 0.316 499 W C -0.234 176.229 176.519 -0.094 0.000 1.024 499 W CA -0.741 56.601 57.345 -0.005 0.000 1.270 499 W CB 1.075 30.589 29.460 0.090 0.000 1.273 499 W HN 0.450 nan 8.180 nan 0.000 0.424 500 L N 3.441 124.578 121.223 -0.144 0.000 2.483 500 L HA 0.192 4.532 4.340 -0.001 0.000 0.275 500 L C -0.287 176.607 176.870 0.040 0.000 1.220 500 L CA 0.089 54.782 54.840 -0.245 0.000 0.833 500 L CB 0.135 41.837 42.059 -0.596 0.000 1.102 500 L HN 0.351 nan 8.230 nan 0.000 0.490 501 F N 3.166 123.053 119.950 -0.104 0.000 2.745 501 F HA 0.449 4.975 4.527 -0.001 0.000 0.343 501 F C -0.489 175.303 175.800 -0.013 0.000 1.196 501 F CA -0.501 57.466 58.000 -0.055 0.000 1.021 501 F CB 0.642 39.607 39.000 -0.059 0.000 1.297 501 F HN 0.572 nan 8.300 nan 0.000 0.486 502 H N 2.233 121.040 119.070 -0.440 0.000 3.016 502 H HA 0.506 5.061 4.556 -0.001 0.000 0.362 502 H C -1.256 173.931 175.328 -0.236 0.000 1.233 502 H CA -1.399 54.447 56.048 -0.336 0.000 1.124 502 H CB 0.897 30.569 29.762 -0.149 0.000 1.850 502 H HN 0.682 nan 8.280 nan 0.000 0.549 503 C N 2.293 121.548 119.300 -0.075 0.000 2.653 503 C HA 0.082 4.542 4.460 -0.001 0.000 0.421 503 C C 1.337 176.441 174.990 0.191 0.000 1.334 503 C CA 0.000 59.024 59.018 0.009 0.000 1.885 503 C CB -0.756 26.972 27.740 -0.019 0.000 2.645 503 C HN 1.025 nan 8.230 nan 0.000 0.601 504 H N 3.773 122.907 119.070 0.106 0.000 2.539 504 H HA 0.298 4.854 4.556 -0.001 0.000 0.269 504 H C 0.526 175.870 175.328 0.028 0.000 0.980 504 H CA 0.260 56.401 56.048 0.156 0.000 1.152 504 H CB 0.061 29.884 29.762 0.102 0.000 1.407 504 H HN 0.668 nan 8.280 nan 0.000 0.564 505 I N 1.463 122.059 120.570 0.043 0.000 2.505 505 I HA -0.048 4.121 4.170 -0.001 0.000 0.287 505 I C 1.680 177.603 176.117 -0.323 0.000 1.104 505 I CA -0.058 61.100 61.300 -0.236 0.000 1.387 505 I CB 1.216 38.935 38.000 -0.469 0.000 1.404 505 I HN 0.124 nan 8.210 nan 0.000 0.528 506 A N 7.339 129.839 122.820 -0.534 0.000 1.892 506 A HA -0.194 4.126 4.320 -0.001 0.000 0.218 506 A C 1.873 179.355 177.584 -0.170 0.000 1.188 506 A CA 1.594 53.363 52.037 -0.448 0.000 0.631 506 A CB -0.767 17.744 19.000 -0.815 0.000 0.822 506 A HN 0.931 nan 8.150 nan 0.000 0.447 507 W N -1.047 120.226 121.300 -0.045 0.000 2.342 507 W HA -0.188 4.471 4.660 -0.001 0.000 0.297 507 W C 2.260 178.903 176.519 0.206 0.000 1.213 507 W CA 0.913 58.289 57.345 0.051 0.000 1.251 507 W CB -0.579 28.907 29.460 0.043 0.000 1.136 507 W HN 0.548 nan 8.180 nan 0.000 0.526 508 H N -0.767 118.398 119.070 0.158 0.000 2.343 508 H HA -0.120 4.436 4.556 -0.000 0.000 0.303 508 H C 2.436 177.755 175.328 -0.015 0.000 1.068 508 H CA 1.115 57.124 56.048 -0.066 0.000 1.359 508 H CB -0.429 29.072 29.762 -0.435 0.000 1.402 508 H HN -0.012 nan 8.280 nan 0.000 0.515 509 V N 0.395 120.372 119.914 0.105 0.000 2.407 509 V HA -0.257 3.862 4.120 -0.001 0.000 0.248 509 V C 2.541 178.673 176.094 0.063 0.000 1.055 509 V CA 2.118 64.442 62.300 0.039 0.000 1.049 509 V CB -0.273 31.523 31.823 -0.045 0.000 0.662 509 V HN 0.392 nan 8.190 nan 0.000 0.455 510 S N 0.237 116.009 115.700 0.120 0.000 2.400 510 S HA -0.108 4.361 4.470 -0.001 0.000 0.232 510 S C 1.889 176.584 174.600 0.159 0.000 1.025 510 S CA 1.797 60.080 58.200 0.138 0.000 0.993 510 S CB -0.692 62.632 63.200 0.206 0.000 0.808 510 S HN 0.777 nan 8.310 nan 0.000 0.478 511 G N -1.015 107.941 108.800 0.260 0.000 2.813 511 G HA2 0.399 4.359 3.960 -0.001 0.000 0.209 511 G HA3 0.399 4.359 3.960 -0.001 0.000 0.209 511 G C 0.959 176.014 174.900 0.258 0.000 1.150 511 G CA 0.425 45.719 45.100 0.323 0.000 0.785 511 G HN 1.218 nan 8.290 nan 0.000 0.535 512 G N -0.683 108.221 108.800 0.174 0.000 2.273 512 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.162 512 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.162 512 G C 0.333 175.275 174.900 0.070 0.000 1.006 512 G CA -0.161 44.998 45.100 0.098 0.000 0.704 512 G HN 0.365 nan 8.290 nan 0.000 0.487 513 L N 2.593 123.857 121.223 0.068 0.000 2.384 513 L HA 0.633 4.972 4.340 -0.001 0.000 0.258 513 L C 0.262 177.088 176.870 -0.074 0.000 1.266 513 L CA 0.283 55.102 54.840 -0.036 0.000 1.162 513 L CB 0.298 42.231 42.059 -0.210 0.000 1.375 513 L HN 0.233 nan 8.230 nan 0.000 0.420 514 S N 1.445 117.097 115.700 -0.080 0.000 2.567 514 S HA 0.695 5.164 4.470 -0.001 0.000 0.270 514 S C -0.813 173.706 174.600 -0.135 0.000 1.152 514 S CA -0.470 57.667 58.200 -0.105 0.000 0.835 514 S CB 1.739 64.877 63.200 -0.102 0.000 1.115 514 S HN 0.237 nan 8.310 nan 0.000 0.459 515 V N 0.176 119.983 119.914 -0.179 0.000 3.164 515 V HA 0.848 4.968 4.120 -0.001 0.000 0.313 515 V C -1.490 174.424 176.094 -0.299 0.000 1.188 515 V CA -0.714 61.433 62.300 -0.256 0.000 1.058 515 V CB 1.963 33.566 31.823 -0.366 0.000 1.110 515 V HN 0.820 nan 8.190 nan 0.000 0.453 516 D N 0.324 120.515 120.400 -0.348 0.000 2.473 516 D HA 0.411 5.051 4.640 -0.001 0.000 0.253 516 D C -1.439 174.698 176.300 -0.272 0.000 1.233 516 D CA -0.365 53.468 54.000 -0.278 0.000 0.908 516 D CB 1.082 41.730 40.800 -0.252 0.000 1.170 516 D HN 0.389 nan 8.370 nan 0.000 0.558 517 F N 3.320 123.230 119.950 -0.066 0.000 2.462 517 F HA 0.203 4.730 4.527 -0.001 0.000 0.360 517 F C 0.628 176.418 175.800 -0.016 0.000 1.134 517 F CA -0.660 57.321 58.000 -0.032 0.000 1.148 517 F CB 0.645 39.662 39.000 0.028 0.000 1.147 517 F HN 0.268 nan 8.300 nan 0.000 0.550 518 L N 5.099 126.385 121.223 0.105 0.000 2.328 518 L HA 0.241 4.580 4.340 -0.001 0.000 0.280 518 L C 0.135 177.070 176.870 0.109 0.000 1.111 518 L CA -0.047 54.788 54.840 -0.009 0.000 0.909 518 L CB 0.047 42.002 42.059 -0.173 0.000 1.277 518 L HN 0.553 nan 8.230 nan 0.000 0.433 519 E N 5.096 125.398 120.200 0.169 0.000 2.089 519 E HA 0.286 4.636 4.350 -0.001 0.000 0.284 519 E C -0.232 176.470 176.600 0.169 0.000 1.023 519 E CA -0.509 56.045 56.400 0.258 0.000 0.819 519 E CB 0.263 30.255 29.700 0.485 0.000 1.076 519 E HN 0.548 nan 8.360 nan 0.000 0.396 520 R N 3.426 124.009 120.500 0.138 0.000 3.209 520 R HA -0.122 4.217 4.340 -0.001 0.000 0.252 520 R C -1.941 174.404 176.300 0.075 0.000 0.958 520 R CA 0.291 56.453 56.100 0.103 0.000 0.651 520 R CB -1.054 29.312 30.300 0.109 0.000 1.142 520 R HN 0.592 nan 8.270 nan 0.000 0.441 521 P HA -0.232 nan 4.420 nan 0.000 0.218 521 P C 1.272 178.600 177.300 0.046 0.000 1.149 521 P CA 1.914 65.041 63.100 0.046 0.000 0.817 521 P CB 0.133 31.875 31.700 0.070 0.000 0.785 522 A N 0.983 123.836 122.820 0.054 0.000 1.865 522 A HA -0.222 4.097 4.320 -0.001 0.000 0.217 522 A C 2.063 179.669 177.584 0.037 0.000 1.191 522 A CA 2.267 54.331 52.037 0.044 0.000 0.623 522 A CB -1.400 17.626 19.000 0.044 0.000 0.826 522 A HN 0.098 nan 8.150 nan 0.000 0.444 523 D N -0.478 119.947 120.400 0.042 0.000 2.144 523 D HA -0.114 4.525 4.640 -0.001 0.000 0.200 523 D C 1.850 178.171 176.300 0.034 0.000 0.978 523 D CA 1.192 55.216 54.000 0.041 0.000 0.833 523 D CB -0.500 40.331 40.800 0.052 0.000 0.961 523 D HN 0.329 nan 8.370 nan 0.000 0.470 524 L N 1.555 122.796 121.223 0.030 0.000 1.997 524 L HA -0.200 4.140 4.340 -0.001 0.000 0.216 524 L C 2.270 179.135 176.870 -0.008 0.000 1.074 524 L CA 1.847 56.690 54.840 0.005 0.000 0.763 524 L CB -0.580 41.463 42.059 -0.027 0.000 0.890 524 L HN -0.115 nan 8.230 nan 0.000 0.434 525 R N -1.142 119.355 120.500 -0.005 0.000 2.105 525 R HA -0.218 4.121 4.340 -0.001 0.000 0.239 525 R C 2.221 178.519 176.300 -0.004 0.000 1.135 525 R CA 1.839 57.931 56.100 -0.013 0.000 0.967 525 R CB -0.136 30.163 30.300 -0.001 0.000 0.861 525 R HN 0.505 nan 8.270 nan 0.000 0.442 526 Q N -0.222 119.583 119.800 0.008 0.000 2.167 526 Q HA -0.082 4.258 4.340 -0.001 0.000 0.202 526 Q C 1.634 177.642 176.000 0.015 0.000 0.970 526 Q CA 1.429 57.240 55.803 0.013 0.000 0.855 526 Q CB 0.126 28.875 28.738 0.018 0.000 0.911 526 Q HN 0.254 nan 8.270 nan 0.000 0.438 527 R N -0.359 120.152 120.500 0.018 0.000 2.317 527 R HA 0.218 4.558 4.340 -0.001 0.000 0.208 527 R C -0.232 176.082 176.300 0.023 0.000 0.914 527 R CA -0.039 56.077 56.100 0.026 0.000 1.060 527 R CB 0.301 30.624 30.300 0.039 0.000 1.015 527 R HN 0.170 nan 8.270 nan 0.000 0.498 528 I N 2.435 123.008 120.570 0.005 0.000 2.379 528 I HA -0.013 4.156 4.170 -0.001 0.000 0.290 528 I C 0.682 176.804 176.117 0.010 0.000 1.063 528 I CA -0.241 61.058 61.300 -0.003 0.000 1.351 528 I CB 0.901 38.873 38.000 -0.047 0.000 1.410 528 I HN 0.158 nan 8.210 nan 0.000 0.505 529 S N 4.422 120.140 115.700 0.029 0.000 2.576 529 S HA -0.018 4.451 4.470 -0.001 0.000 0.272 529 S C 0.833 175.450 174.600 0.028 0.000 1.352 529 S CA -0.458 57.762 58.200 0.033 0.000 1.021 529 S CB 1.334 64.563 63.200 0.048 0.000 0.887 529 S HN 0.658 nan 8.310 nan 0.000 0.542 530 Q N 0.846 120.662 119.800 0.027 0.000 2.124 530 Q HA -0.110 4.229 4.340 -0.001 0.000 0.202 530 Q C 1.741 177.762 176.000 0.034 0.000 0.977 530 Q CA 2.115 57.933 55.803 0.026 0.000 0.850 530 Q CB -0.433 28.318 28.738 0.022 0.000 0.901 530 Q HN 0.901 nan 8.270 nan 0.000 0.429 531 E N 0.005 120.228 120.200 0.039 0.000 2.047 531 E HA -0.138 4.212 4.350 -0.001 0.000 0.191 531 E C 1.651 178.285 176.600 0.056 0.000 0.987 531 E CA 1.390 57.818 56.400 0.045 0.000 0.799 531 E CB -0.139 29.590 29.700 0.048 0.000 0.752 531 E HN 0.371 nan 8.360 nan 0.000 0.449 532 D N 0.216 120.657 120.400 0.067 0.000 2.117 532 D HA -0.178 4.462 4.640 -0.001 0.000 0.197 532 D C 1.846 178.181 176.300 0.058 0.000 0.987 532 D CA 1.071 55.107 54.000 0.061 0.000 0.829 532 D CB -0.171 40.674 40.800 0.075 0.000 0.961 532 D HN 0.257 nan 8.370 nan 0.000 0.460 533 E N 0.450 120.675 120.200 0.042 0.000 2.051 533 E HA -0.191 4.158 4.350 -0.001 0.000 0.192 533 E C 1.311 177.981 176.600 0.117 0.000 0.991 533 E CA 1.247 57.677 56.400 0.051 0.000 0.799 533 E CB 0.136 29.844 29.700 0.014 0.000 0.748 533 E HN 0.081 nan 8.360 nan 0.000 0.449 534 D N 0.525 120.972 120.400 0.079 0.000 2.104 534 D HA -0.181 4.459 4.640 -0.001 0.000 0.194 534 D C 1.638 177.985 176.300 0.078 0.000 0.994 534 D CA 1.546 55.589 54.000 0.073 0.000 0.830 534 D CB -0.459 40.368 40.800 0.046 0.000 0.959 534 D HN 0.257 nan 8.370 nan 0.000 0.452 535 D N -1.011 119.429 120.400 0.067 0.000 2.183 535 D HA -0.114 4.526 4.640 -0.001 0.000 0.203 535 D C 1.792 178.120 176.300 0.047 0.000 0.969 535 D CA 0.231 54.251 54.000 0.034 0.000 0.842 535 D CB -0.167 40.634 40.800 0.001 0.000 0.957 535 D HN 0.101 nan 8.370 nan 0.000 0.484 536 F N 1.101 121.019 119.950 -0.053 0.000 2.095 536 F HA -0.200 4.327 4.527 -0.001 0.000 0.298 536 F C 1.887 177.680 175.800 -0.012 0.000 1.104 536 F CA 1.417 59.389 58.000 -0.046 0.000 1.232 536 F CB -0.329 38.645 39.000 -0.044 0.000 0.987 536 F HN -0.065 nan 8.300 nan 0.000 0.475 537 N N 0.541 119.352 118.700 0.185 0.000 2.188 537 N HA -0.172 4.568 4.740 -0.001 0.000 0.184 537 N C 2.056 177.558 175.510 -0.013 0.000 1.018 537 N CA 1.151 54.249 53.050 0.080 0.000 0.858 537 N CB -0.578 37.997 38.487 0.148 0.000 0.989 537 N HN 0.401 nan 8.380 nan 0.000 0.426 538 R N 1.051 121.550 120.500 -0.001 0.000 2.080 538 R HA -0.078 4.262 4.340 -0.001 0.000 0.236 538 R C 1.831 178.112 176.300 -0.032 0.000 1.137 538 R CA 1.371 57.465 56.100 -0.009 0.000 0.943 538 R CB -0.212 30.086 30.300 -0.003 0.000 0.846 538 R HN -0.027 nan 8.270 nan 0.000 0.431 539 V N 0.248 120.115 119.914 -0.078 0.000 2.358 539 V HA -0.292 3.828 4.120 -0.001 0.000 0.246 539 V C 2.600 178.659 176.094 -0.059 0.000 1.047 539 V CA 1.656 63.910 62.300 -0.077 0.000 1.035 539 V CB -0.557 31.188 31.823 -0.130 0.000 0.658 539 V HN 0.531 nan 8.190 nan 0.000 0.452 540 c N 0.169 118.651 118.600 -0.195 0.000 2.429 540 c HA -0.154 4.415 4.570 -0.001 0.000 0.277 540 c C 2.576 176.691 174.090 0.041 0.000 1.262 540 c CA 0.948 57.202 56.329 -0.125 0.000 1.733 540 c CB -1.034 41.272 42.510 -0.339 0.000 2.010 540 c HN 0.595 nan 8.230 nan 0.000 0.483 541 D N 0.634 121.040 120.400 0.010 0.000 2.104 541 D HA -0.124 4.515 4.640 -0.001 0.000 0.194 541 D C 2.086 178.429 176.300 0.072 0.000 0.994 541 D CA 1.293 55.319 54.000 0.042 0.000 0.830 541 D CB -0.506 40.310 40.800 0.026 0.000 0.959 541 D HN 0.630 nan 8.370 nan 0.000 0.452 542 E N -0.177 120.072 120.200 0.082 0.000 2.106 542 E HA -0.144 4.206 4.350 -0.001 0.000 0.192 542 E C 2.056 178.770 176.600 0.190 0.000 0.984 542 E CA 0.370 56.835 56.400 0.108 0.000 0.806 542 E CB -0.163 29.589 29.700 0.086 0.000 0.750 542 E HN 0.457 nan 8.360 nan 0.000 0.458 543 W N 2.122 123.457 121.300 0.058 0.000 2.381 543 W HA -0.108 4.552 4.660 -0.001 0.000 0.301 543 W C 1.776 178.427 176.519 0.219 0.000 1.205 543 W CA 1.054 58.482 57.345 0.138 0.000 1.285 543 W CB -0.027 29.468 29.460 0.059 0.000 1.133 543 W HN -0.035 nan 8.180 nan 0.000 0.521 544 R N 0.249 120.816 120.500 0.110 0.000 2.092 544 R HA -0.112 4.228 4.340 -0.001 0.000 0.231 544 R C 2.511 178.805 176.300 -0.011 0.000 1.119 544 R CA 1.482 57.600 56.100 0.030 0.000 0.970 544 R CB -0.788 29.568 30.300 0.093 0.000 0.864 544 R HN 0.125 nan 8.270 nan 0.000 0.440 545 A N 0.428 123.256 122.820 0.014 0.000 1.933 545 A HA -0.228 4.092 4.320 -0.001 0.000 0.218 545 A C 1.964 179.525 177.584 -0.038 0.000 1.175 545 A CA 1.272 53.309 52.037 0.001 0.000 0.628 545 A CB -0.622 18.397 19.000 0.031 0.000 0.814 545 A HN 0.480 nan 8.150 nan 0.000 0.444 546 Y N -1.366 118.842 120.300 -0.153 0.000 2.220 546 Y HA -0.167 4.382 4.550 -0.001 0.000 0.291 546 Y C 2.268 177.999 175.900 -0.281 0.000 1.129 546 Y CA 1.340 59.314 58.100 -0.209 0.000 1.161 546 Y CB -0.524 37.804 38.460 -0.219 0.000 0.997 546 Y HN 0.531 nan 8.280 nan 0.000 0.522 547 W N 2.355 123.168 121.300 -0.812 0.000 2.318 547 W HA -0.180 4.480 4.660 -0.001 0.000 0.313 547 W C -0.981 175.210 176.519 -0.546 0.000 1.221 547 W CA 1.773 58.633 57.345 -0.809 0.000 1.266 547 W CB -1.482 27.616 29.460 -0.602 0.000 1.150 547 W HN 0.165 nan 8.180 nan 0.000 0.496 548 P HA -0.185 nan 4.420 nan 0.000 0.220 548 P C 1.591 178.581 177.300 -0.516 0.000 1.144 548 P CA 3.090 65.944 63.100 -0.409 0.000 0.800 548 P CB -0.484 31.096 31.700 -0.199 0.000 0.772 549 T N -6.019 108.153 114.554 -0.637 0.000 3.081 549 T HA 0.011 4.360 4.350 -0.001 0.000 0.250 549 T C 0.817 175.131 174.700 -0.643 0.000 1.100 549 T CA -0.269 61.498 62.100 -0.556 0.000 1.038 549 T CB -0.851 67.751 68.868 -0.444 0.000 0.962 549 T HN 0.028 nan 8.240 nan 0.000 0.516 550 N N 3.138 121.289 118.700 -0.914 0.000 2.447 550 N HA 0.058 4.797 4.740 -0.001 0.000 0.263 550 N C -1.440 173.751 175.510 -0.532 0.000 1.226 550 N CA -0.938 51.688 53.050 -0.707 0.000 0.906 550 N CB 1.251 39.199 38.487 -0.898 0.000 1.060 550 N HN 0.227 nan 8.380 nan 0.000 0.468 551 P HA 0.050 nan 4.420 nan 0.000 0.249 551 P C -1.017 176.126 177.300 -0.261 0.000 1.229 551 P CA 0.606 63.456 63.100 -0.418 0.000 0.788 551 P CB 0.196 31.568 31.700 -0.546 0.000 1.072 552 Y N 1.341 121.596 120.300 -0.076 0.000 2.446 552 Y HA 0.470 5.020 4.550 -0.001 0.000 0.345 552 Y C -1.996 173.942 175.900 0.063 0.000 0.984 552 Y CA -4.059 54.062 58.100 0.034 0.000 1.058 552 Y CB 0.725 39.266 38.460 0.135 0.000 1.220 552 Y HN -0.135 nan 8.280 nan 0.000 0.455 553 P HA 0.190 nan 4.420 nan 0.000 0.276 553 P C -0.954 176.638 177.300 0.486 0.000 1.252 553 P CA -0.794 62.509 63.100 0.339 0.000 0.802 553 P CB 1.356 33.192 31.700 0.227 0.000 1.035 554 K N 1.812 122.539 120.400 0.546 0.000 2.297 554 K HA 0.152 4.472 4.320 -0.001 0.000 0.286 554 K C 0.929 177.617 176.600 0.146 0.000 1.053 554 K CA -0.439 56.036 56.287 0.314 0.000 0.940 554 K CB 0.147 32.624 32.500 -0.039 0.000 1.019 554 K HN 0.354 nan 8.250 nan 0.000 0.475 555 I N 0.998 121.646 120.570 0.131 0.000 4.082 555 I HA 0.190 4.360 4.170 -0.001 0.000 0.337 555 I C -0.294 175.857 176.117 0.057 0.000 1.352 555 I CA -0.000 61.361 61.300 0.103 0.000 1.097 555 I CB -1.002 37.085 38.000 0.145 0.000 1.048 555 I HN 0.688 nan 8.210 nan 0.000 0.393 556 D N 0.610 121.016 120.400 0.009 0.000 2.989 556 D HA 0.204 4.843 4.640 -0.001 0.000 0.284 556 D C 0.940 177.179 176.300 -0.101 0.000 1.212 556 D CA 0.659 54.657 54.000 -0.003 0.000 1.055 556 D CB 0.183 41.022 40.800 0.064 0.000 1.351 556 D HN -0.068 nan 8.370 nan 0.000 0.611 557 S N -2.042 113.611 115.700 -0.077 0.000 2.481 557 S HA 0.273 4.743 4.470 -0.001 0.000 0.231 557 S C 1.842 176.282 174.600 -0.267 0.000 0.996 557 S CA 1.101 59.218 58.200 -0.139 0.000 0.942 557 S CB -0.646 62.508 63.200 -0.077 0.000 0.768 557 S HN 1.521 nan 8.310 nan 0.000 0.520 558 G N 0.506 109.143 108.800 -0.273 0.000 2.213 558 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.236 558 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.236 558 G C 0.000 174.967 174.900 0.112 0.000 0.991 558 G CA 0.283 45.207 45.100 -0.294 0.000 0.629 558 G HN 0.514 nan 8.290 nan 0.000 0.517 559 L N 0.000 121.235 121.223 0.020 0.000 2.949 559 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 559 L CA 0.000 54.882 54.840 0.070 0.000 0.813 559 L CB 0.000 41.993 42.059 -0.110 0.000 0.961 559 L HN 0.000 nan 8.230 nan 0.000 0.502