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 2ih8_1_B DATA FIRST_RESID 1 DATA SEQUENCE EPTcNTPSNR AcWSDGFDIN TDYEVSTPDT GVTQSYVFNL TEVDNWMGPD DATA SEQUENCE GVVKEKVMLI NGNIMGPNIV ANWGDTVEVT VINNLVTNGT SIHWHGIHQK DATA SEQUENCE DTNLHDGANG VTEcPIPPKG GQRTYRWRAR QYGTSWYHSH FSAQYGNGVV DATA SEQUENCE GTIQINGPAS LPYDIDLGVF PITDYYYRAA DDLVHFTQNN APPFSDNVLI DATA SEQUENCE NGTAVNPNTG EGQYANVTLT PGKRHRLRIL NTSTENHFQV SLVNHTMTVI DATA SEQUENCE AADMVPVNAM TVDSLFLAVG QRYDVVIDAS RAPDNYWFNV TFGGQAAcGG DATA SEQUENCE SLNPHPAAIF HYAGAPGGLP TDEGTPPVDH QcLDTLDVRP VVPRSVPVNS DATA SEQUENCE FVKRPDNTLP VALDLTGTPL FVWKVNGSDI NVDWGKPIID YILTGNTSYP DATA SEQUENCE VSDNIVQVDA VDQWTYWLIE NDPEGPFSLP HPMHLHGHDF LVLGRSPDVP DATA SEQUENCE AASQQRFVFD PAVDLARLNG DNPPRRDTTM LPAGGWLLLA FRTDNPGAWL DATA SEQUENCE FHCHIAWHVS GGLSVDFLER PADLRQRISQ EDEDDFNRVc DEWRAYWPTN DATA SEQUENCE PYPKIDSGL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.340 176.600 -0.433 0.000 1.382 1 E CA 0.000 56.326 56.400 -0.124 0.000 0.976 1 E CB 0.000 29.637 29.700 -0.105 0.000 0.812 2 P HA 0.260 nan 4.420 nan 0.000 0.277 2 P C 0.040 177.014 177.300 -0.543 0.000 1.240 2 P CA -0.293 62.130 63.100 -1.127 0.000 0.798 2 P CB 1.581 32.447 31.700 -1.390 0.000 0.979 3 T N -3.053 111.241 114.554 -0.434 0.000 2.969 3 T HA 0.073 4.428 4.350 0.007 0.000 0.258 3 T C 1.081 175.681 174.700 -0.168 0.000 0.962 3 T CA 0.397 62.357 62.100 -0.233 0.000 0.903 3 T CB -0.758 68.014 68.868 -0.159 0.000 1.177 3 T HN 0.595 nan 8.240 nan 0.000 0.511 4 c N 0.329 118.827 118.600 -0.171 0.000 3.626 4 c HA 0.479 5.053 4.570 0.007 0.000 0.276 4 c C 0.407 174.462 174.090 -0.058 0.000 1.694 4 c CA -1.282 54.995 56.329 -0.086 0.000 1.785 4 c CB -1.680 40.809 42.510 -0.035 0.000 3.152 4 c HN 0.473 nan 8.230 nan 0.000 0.571 5 N N 3.350 121.992 118.700 -0.097 0.000 2.415 5 N HA 0.266 5.010 4.740 0.007 0.000 0.250 5 N C -0.178 175.300 175.510 -0.055 0.000 1.127 5 N CA 0.829 53.871 53.050 -0.013 0.000 0.945 5 N CB 0.895 39.430 38.487 0.079 0.000 1.196 5 N HN 0.780 nan 8.380 nan 0.000 0.499 6 T N 0.898 115.415 114.554 -0.061 0.000 2.942 6 T HA 0.413 4.767 4.350 0.007 0.000 0.289 6 T C -2.046 172.576 174.700 -0.130 0.000 1.044 6 T CA -1.770 60.281 62.100 -0.082 0.000 1.023 6 T CB 1.976 70.807 68.868 -0.062 0.000 1.123 6 T HN 0.064 nan 8.240 nan 0.000 0.512 7 P HA -0.117 nan 4.420 nan 0.000 0.217 7 P C 1.669 178.882 177.300 -0.145 0.000 1.148 7 P CA 1.364 64.356 63.100 -0.181 0.000 0.828 7 P CB -0.004 31.627 31.700 -0.116 0.000 0.783 8 S N -3.281 112.366 115.700 -0.088 0.000 2.478 8 S HA 0.053 4.528 4.470 0.007 0.000 0.222 8 S C 1.045 175.619 174.600 -0.044 0.000 1.008 8 S CA 0.265 58.432 58.200 -0.055 0.000 0.928 8 S CB -0.502 62.677 63.200 -0.035 0.000 0.781 8 S HN -0.016 nan 8.310 nan 0.000 0.518 9 N N 0.983 119.652 118.700 -0.052 0.000 2.790 9 N HA 0.333 5.077 4.740 0.007 0.000 0.256 9 N C 0.136 175.630 175.510 -0.025 0.000 1.409 9 N CA -0.366 52.670 53.050 -0.023 0.000 0.799 9 N CB 0.611 39.095 38.487 -0.006 0.000 1.170 9 N HN 0.040 nan 8.380 nan 0.000 0.507 10 R N 0.568 121.039 120.500 -0.047 0.000 2.276 10 R HA 0.200 4.544 4.340 0.007 0.000 0.196 10 R C 1.367 177.705 176.300 0.063 0.000 0.961 10 R CA 0.389 56.462 56.100 -0.044 0.000 1.024 10 R CB -0.121 30.076 30.300 -0.170 0.000 0.940 10 R HN 0.454 nan 8.270 nan 0.000 0.480 11 A N 0.433 123.295 122.820 0.069 0.000 2.014 11 A HA -0.079 4.245 4.320 0.007 0.000 0.218 11 A C 1.244 178.910 177.584 0.137 0.000 1.163 11 A CA 0.480 52.576 52.037 0.099 0.000 0.652 11 A CB -0.215 18.836 19.000 0.085 0.000 0.808 11 A HN 0.327 nan 8.150 nan 0.000 0.449 12 c N -1.579 117.103 118.600 0.137 0.000 2.466 12 c HA 0.496 5.070 4.570 0.007 0.000 0.379 12 c C 1.057 175.325 174.090 0.296 0.000 1.251 12 c CA -0.539 55.895 56.329 0.174 0.000 2.263 12 c CB 0.326 42.893 42.510 0.095 0.000 2.511 12 c HN 0.695 nan 8.230 nan 0.000 0.573 13 W N 2.078 123.431 121.300 0.089 0.000 4.712 13 W HA 0.275 4.940 4.660 0.007 0.000 0.191 13 W C 0.304 176.877 176.519 0.090 0.000 1.193 13 W CA 0.621 58.027 57.345 0.102 0.000 2.258 13 W CB -0.446 29.135 29.460 0.200 0.000 0.953 13 W HN 0.780 nan 8.180 nan 0.000 0.923 14 S N 0.347 116.164 115.700 0.195 0.000 2.688 14 S HA 0.260 4.735 4.470 0.007 0.000 0.275 14 S C -1.344 173.351 174.600 0.158 0.000 1.175 14 S CA -0.728 57.511 58.200 0.065 0.000 0.818 14 S CB 1.854 65.061 63.200 0.012 0.000 1.157 14 S HN 0.030 nan 8.310 nan 0.000 0.482 15 D N 1.105 121.563 120.400 0.096 0.000 2.389 15 D HA 0.422 5.067 4.640 0.007 0.000 0.263 15 D C 1.389 177.684 176.300 -0.009 0.000 1.255 15 D CA 2.136 56.164 54.000 0.046 0.000 0.914 15 D CB 0.231 41.043 40.800 0.021 0.000 1.116 15 D HN 1.233 nan 8.370 nan 0.000 0.502 16 G N 2.120 110.843 108.800 -0.128 0.000 2.175 16 G HA2 -0.267 3.698 3.960 0.007 0.000 0.244 16 G HA3 -0.267 3.698 3.960 0.007 0.000 0.244 16 G C 0.028 174.480 174.900 -0.746 0.000 0.982 16 G CA -0.415 44.427 45.100 -0.429 0.000 0.641 16 G HN 0.404 nan 8.290 nan 0.000 0.527 17 F N 1.957 121.960 119.950 0.088 0.000 2.499 17 F HA 0.604 5.136 4.527 0.008 0.000 0.333 17 F C 0.052 176.057 175.800 0.341 0.000 1.138 17 F CA -0.581 57.520 58.000 0.168 0.000 0.945 17 F CB 1.938 40.901 39.000 -0.061 0.000 1.181 17 F HN 0.276 nan 8.300 nan 0.000 0.435 18 D N 1.130 121.831 120.400 0.503 0.000 2.798 18 D HA 0.278 4.922 4.640 0.007 0.000 0.308 18 D C 0.546 177.034 176.300 0.314 0.000 1.187 18 D CA -0.631 53.593 54.000 0.373 0.000 1.033 18 D CB 0.510 41.447 40.800 0.228 0.000 1.445 18 D HN 0.215 nan 8.370 nan 0.000 0.550 19 I N -0.037 120.653 120.570 0.200 0.000 2.493 19 I HA -0.063 4.111 4.170 0.007 0.000 0.254 19 I C 0.833 177.095 176.117 0.242 0.000 1.160 19 I CA 1.207 62.622 61.300 0.192 0.000 1.445 19 I CB -0.570 37.520 38.000 0.149 0.000 1.086 19 I HN 0.298 nan 8.210 nan 0.000 0.433 20 N N -0.320 118.508 118.700 0.213 0.000 2.412 20 N HA 0.046 4.790 4.740 0.007 0.000 0.184 20 N C 0.318 175.952 175.510 0.206 0.000 1.101 20 N CA 0.259 53.419 53.050 0.184 0.000 0.881 20 N CB -0.129 38.437 38.487 0.130 0.000 0.969 20 N HN 0.281 nan 8.380 nan 0.000 0.459 21 T N 1.338 116.068 114.554 0.294 0.000 2.916 21 T HA -0.035 4.319 4.350 0.007 0.000 0.303 21 T C 0.144 175.051 174.700 0.345 0.000 1.025 21 T CA -0.035 62.264 62.100 0.332 0.000 1.142 21 T CB 1.101 70.293 68.868 0.541 0.000 0.947 21 T HN -0.020 nan 8.240 nan 0.000 0.544 22 D N 2.317 122.844 120.400 0.211 0.000 2.402 22 D HA 0.047 4.691 4.640 0.007 0.000 0.235 22 D C 1.074 177.460 176.300 0.143 0.000 1.226 22 D CA -0.596 53.435 54.000 0.052 0.000 0.918 22 D CB 0.119 40.924 40.800 0.010 0.000 1.043 22 D HN 0.663 nan 8.370 nan 0.000 0.506 23 Y N 1.758 122.256 120.300 0.331 0.000 2.403 23 Y HA -0.019 4.536 4.550 0.007 0.000 0.291 23 Y C 1.561 177.629 175.900 0.280 0.000 1.143 23 Y CA 0.685 59.044 58.100 0.432 0.000 1.257 23 Y CB -0.477 38.103 38.460 0.201 0.000 0.984 23 Y HN 0.291 nan 8.280 nan 0.000 0.550 24 E N 0.483 120.603 120.200 -0.133 0.000 2.347 24 E HA -0.067 4.288 4.350 0.007 0.000 0.196 24 E C 1.672 178.319 176.600 0.078 0.000 1.008 24 E CA 1.414 57.818 56.400 0.007 0.000 0.852 24 E CB 0.100 29.735 29.700 -0.109 0.000 0.783 24 E HN 0.637 nan 8.360 nan 0.000 0.505 25 V N -4.130 115.842 119.914 0.096 0.000 3.497 25 V HA 0.250 4.374 4.120 0.007 0.000 0.272 25 V C 0.437 176.625 176.094 0.157 0.000 1.474 25 V CA -0.460 61.903 62.300 0.105 0.000 1.025 25 V CB 1.397 33.258 31.823 0.062 0.000 0.820 25 V HN -0.056 nan 8.190 nan 0.000 0.437 26 S N 0.713 116.560 115.700 0.246 0.000 2.519 26 S HA 0.767 5.242 4.470 0.007 0.000 0.309 26 S C -0.466 174.372 174.600 0.397 0.000 1.100 26 S CA -0.006 58.388 58.200 0.322 0.000 1.059 26 S CB 1.562 64.963 63.200 0.334 0.000 1.008 26 S HN 0.596 nan 8.310 nan 0.000 0.478 27 T N 5.990 120.661 114.554 0.195 0.000 2.916 27 T HA 0.526 4.880 4.350 0.007 0.000 0.298 27 T C -2.917 171.422 174.700 -0.602 0.000 1.031 27 T CA -1.066 60.926 62.100 -0.180 0.000 0.993 27 T CB 1.742 70.605 68.868 -0.010 0.000 1.045 27 T HN 0.335 nan 8.240 nan 0.000 0.454 28 P HA 0.205 nan 4.420 nan 0.000 0.271 28 P C -0.642 176.368 177.300 -0.484 0.000 1.216 28 P CA -0.305 62.074 63.100 -1.202 0.000 0.771 28 P CB 0.454 31.407 31.700 -1.245 0.000 0.864 29 D N 1.938 122.175 120.400 -0.272 0.000 2.500 29 D HA 0.045 4.689 4.640 0.007 0.000 0.219 29 D C 1.005 177.235 176.300 -0.117 0.000 1.137 29 D CA 0.052 53.969 54.000 -0.138 0.000 0.946 29 D CB 0.351 41.114 40.800 -0.062 0.000 1.022 29 D HN 0.305 nan 8.370 nan 0.000 0.518 30 T N -0.450 114.031 114.554 -0.122 0.000 2.978 30 T HA 0.134 4.488 4.350 0.007 0.000 0.262 30 T C 1.647 176.308 174.700 -0.065 0.000 1.063 30 T CA 0.821 62.869 62.100 -0.086 0.000 1.140 30 T CB 0.029 68.858 68.868 -0.066 0.000 0.886 30 T HN 0.413 nan 8.240 nan 0.000 0.470 31 G N 0.770 109.531 108.800 -0.066 0.000 2.168 31 G HA2 -0.225 3.740 3.960 0.007 0.000 0.263 31 G HA3 -0.225 3.740 3.960 0.007 0.000 0.263 31 G C 0.088 174.952 174.900 -0.061 0.000 0.977 31 G CA 0.190 45.255 45.100 -0.058 0.000 0.659 31 G HN 0.784 nan 8.290 nan 0.000 0.533 32 V N 0.646 120.522 119.914 -0.063 0.000 2.539 32 V HA 0.722 4.847 4.120 0.007 0.000 0.292 32 V C 0.504 176.546 176.094 -0.087 0.000 1.045 32 V CA 0.048 62.309 62.300 -0.066 0.000 0.945 32 V CB 1.827 33.620 31.823 -0.049 0.000 0.993 32 V HN 0.256 nan 8.190 nan 0.000 0.464 33 T N 4.134 118.627 114.554 -0.103 0.000 2.841 33 T HA 0.385 4.740 4.350 0.007 0.000 0.285 33 T C -0.718 173.887 174.700 -0.158 0.000 0.991 33 T CA -0.539 61.477 62.100 -0.141 0.000 0.966 33 T CB 1.369 70.152 68.868 -0.142 0.000 0.962 33 T HN 0.543 nan 8.240 nan 0.000 0.438 34 Q N 2.268 121.957 119.800 -0.186 0.000 2.372 34 Q HA 0.471 4.816 4.340 0.007 0.000 0.259 34 Q C -0.523 175.281 176.000 -0.326 0.000 0.993 34 Q CA -0.305 55.361 55.803 -0.228 0.000 0.854 34 Q CB 1.743 30.416 28.738 -0.108 0.000 1.231 34 Q HN 0.568 nan 8.270 nan 0.000 0.462 35 S N 2.602 118.048 115.700 -0.422 0.000 2.578 35 S HA 0.720 5.195 4.470 0.007 0.000 0.283 35 S C -0.836 173.394 174.600 -0.618 0.000 1.195 35 S CA -0.358 57.613 58.200 -0.382 0.000 1.050 35 S CB 0.636 63.694 63.200 -0.237 0.000 1.012 35 S HN 0.356 nan 8.310 nan 0.000 0.511 36 Y N -0.271 119.958 120.300 -0.119 0.000 2.588 36 Y HA 0.583 5.137 4.550 0.007 0.000 0.343 36 Y C -0.606 175.260 175.900 -0.057 0.000 1.065 36 Y CA -1.045 57.033 58.100 -0.036 0.000 1.038 36 Y CB 1.509 39.979 38.460 0.017 0.000 1.297 36 Y HN 0.314 nan 8.280 nan 0.000 0.467 37 V N 2.963 123.027 119.914 0.251 0.000 2.483 37 V HA 0.396 4.520 4.120 0.007 0.000 0.297 37 V C -1.287 175.075 176.094 0.447 0.000 1.027 37 V CA -0.839 61.583 62.300 0.204 0.000 0.855 37 V CB 1.296 33.197 31.823 0.131 0.000 0.995 37 V HN 0.450 nan 8.190 nan 0.000 0.424 38 F N 3.683 123.704 119.950 0.119 0.000 2.361 38 F HA 0.474 5.005 4.527 0.007 0.000 0.364 38 F C 0.468 176.314 175.800 0.077 0.000 1.120 38 F CA -1.469 56.590 58.000 0.099 0.000 1.102 38 F CB 1.197 40.252 39.000 0.091 0.000 1.183 38 F HN 0.447 nan 8.300 nan 0.000 0.476 39 N N 5.101 123.940 118.700 0.232 0.000 2.501 39 N HA 0.269 5.013 4.740 0.007 0.000 0.245 39 N C -1.111 174.451 175.510 0.086 0.000 0.974 39 N CA -0.263 52.867 53.050 0.134 0.000 0.941 39 N CB 0.602 39.150 38.487 0.101 0.000 1.122 39 N HN 0.459 nan 8.380 nan 0.000 0.507 40 L N 3.225 124.493 121.223 0.074 0.000 2.278 40 L HA 0.335 4.680 4.340 0.007 0.000 0.287 40 L C 0.620 177.496 176.870 0.010 0.000 1.072 40 L CA -0.318 54.541 54.840 0.031 0.000 0.819 40 L CB 0.490 42.564 42.059 0.025 0.000 1.176 40 L HN 0.528 nan 8.230 nan 0.000 0.435 41 T N -0.602 113.948 114.554 -0.007 0.000 2.908 41 T HA 0.417 4.772 4.350 0.007 0.000 0.290 41 T C -0.507 174.179 174.700 -0.023 0.000 1.034 41 T CA -0.894 61.202 62.100 -0.007 0.000 1.010 41 T CB 2.612 71.481 68.868 0.003 0.000 1.068 41 T HN 0.521 nan 8.240 nan 0.000 0.481 42 E N 1.505 121.702 120.200 -0.005 0.000 2.081 42 E HA 0.522 4.877 4.350 0.007 0.000 0.276 42 E C -1.226 175.379 176.600 0.009 0.000 0.950 42 E CA -0.751 55.648 56.400 -0.000 0.000 0.776 42 E CB 0.809 30.525 29.700 0.027 0.000 1.094 42 E HN 0.546 nan 8.360 nan 0.000 0.402 43 V N 4.956 124.861 119.914 -0.015 0.000 2.384 43 V HA 0.259 4.383 4.120 0.007 0.000 0.287 43 V C -0.248 175.890 176.094 0.073 0.000 1.020 43 V CA -0.931 61.385 62.300 0.027 0.000 0.850 43 V CB 1.542 33.364 31.823 -0.002 0.000 0.987 43 V HN 0.679 nan 8.190 nan 0.000 0.436 44 D N 3.801 124.262 120.400 0.101 0.000 2.193 44 D HA 0.288 4.932 4.640 0.007 0.000 0.249 44 D C 0.381 176.770 176.300 0.148 0.000 1.034 44 D CA -0.200 53.867 54.000 0.112 0.000 0.902 44 D CB 0.871 41.723 40.800 0.086 0.000 1.182 44 D HN 0.601 nan 8.370 nan 0.000 0.436 45 N N 1.008 119.796 118.700 0.147 0.000 2.705 45 N HA -0.243 4.501 4.740 0.007 0.000 0.255 45 N C -0.868 174.757 175.510 0.191 0.000 1.008 45 N CA 0.370 53.501 53.050 0.135 0.000 0.742 45 N CB -1.143 37.393 38.487 0.081 0.000 0.906 45 N HN 0.537 nan 8.380 nan 0.000 0.541 46 W N 1.375 122.696 121.300 0.035 0.000 2.316 46 W HA 0.455 5.119 4.660 0.006 0.000 0.311 46 W C 0.545 177.091 176.519 0.045 0.000 1.217 46 W CA -0.980 56.391 57.345 0.044 0.000 1.199 46 W CB 0.492 29.990 29.460 0.063 0.000 1.202 46 W HN 0.168 nan 8.180 nan 0.000 0.528 47 M N 7.150 126.456 119.600 -0.491 0.000 2.220 47 M HA 0.340 4.824 4.480 0.007 0.000 0.343 47 M C 0.350 176.000 176.300 -1.084 0.000 1.470 47 M CA 0.155 55.115 55.300 -0.567 0.000 1.161 47 M CB -0.222 32.144 32.600 -0.390 0.000 1.737 47 M HN 0.497 nan 8.290 nan 0.000 0.464 48 G N 5.864 114.263 108.800 -0.667 0.000 2.562 48 G HA2 0.440 4.404 3.960 0.007 0.000 0.275 48 G HA3 0.440 4.404 3.960 0.007 0.000 0.275 48 G C -1.784 172.896 174.900 -0.366 0.000 1.196 48 G CA -1.036 43.723 45.100 -0.569 0.000 0.908 48 G HN 0.697 nan 8.290 nan 0.000 0.524 49 P HA -0.052 nan 4.420 nan 0.000 0.226 49 P C 0.500 177.711 177.300 -0.149 0.000 1.153 49 P CA 1.148 64.124 63.100 -0.206 0.000 0.777 49 P CB 0.263 31.841 31.700 -0.203 0.000 0.794 50 D N -1.588 118.762 120.400 -0.083 0.000 2.368 50 D HA 0.144 4.789 4.640 0.007 0.000 0.218 50 D C 1.408 177.683 176.300 -0.041 0.000 1.112 50 D CA 0.147 54.129 54.000 -0.030 0.000 0.834 50 D CB -0.503 40.344 40.800 0.079 0.000 0.953 50 D HN 0.227 nan 8.370 nan 0.000 0.505 51 G N -0.406 108.340 108.800 -0.090 0.000 2.241 51 G HA2 -0.273 3.691 3.960 0.007 0.000 0.244 51 G HA3 -0.273 3.691 3.960 0.007 0.000 0.244 51 G C 0.206 175.025 174.900 -0.135 0.000 0.998 51 G CA 0.209 45.243 45.100 -0.110 0.000 0.621 51 G HN 0.383 nan 8.290 nan 0.000 0.519 52 V N 1.580 121.401 119.914 -0.155 0.000 2.583 52 V HA 0.506 4.631 4.120 0.007 0.000 0.287 52 V C 0.954 176.919 176.094 -0.214 0.000 1.051 52 V CA -0.514 61.615 62.300 -0.285 0.000 1.010 52 V CB 1.794 33.198 31.823 -0.699 0.000 0.988 52 V HN 0.281 nan 8.190 nan 0.000 0.478 53 V N 5.618 125.419 119.914 -0.188 0.000 2.406 53 V HA 0.278 4.402 4.120 0.007 0.000 0.272 53 V C 0.369 176.442 176.094 -0.035 0.000 1.043 53 V CA -0.657 61.588 62.300 -0.091 0.000 0.915 53 V CB 0.954 32.736 31.823 -0.067 0.000 0.988 53 V HN 0.785 nan 8.190 nan 0.000 0.466 54 K N 3.303 123.768 120.400 0.109 0.000 2.143 54 K HA 0.249 4.574 4.320 0.007 0.000 0.272 54 K C 1.132 177.826 176.600 0.157 0.000 1.001 54 K CA -0.388 55.998 56.287 0.165 0.000 0.915 54 K CB 1.728 34.416 32.500 0.314 0.000 1.047 54 K HN 0.761 nan 8.250 nan 0.000 0.458 55 E N 2.678 122.942 120.200 0.107 0.000 2.049 55 E HA -0.209 4.145 4.350 0.007 0.000 0.198 55 E C -0.155 176.506 176.600 0.102 0.000 1.007 55 E CA 1.631 58.083 56.400 0.087 0.000 0.809 55 E CB 0.337 30.074 29.700 0.062 0.000 0.749 55 E HN 0.345 nan 8.360 nan 0.000 0.450 56 K N -0.391 120.070 120.400 0.102 0.000 2.543 56 K HA 0.317 4.641 4.320 0.007 0.000 0.255 56 K C -1.441 175.195 176.600 0.060 0.000 0.934 56 K CA -0.581 55.756 56.287 0.083 0.000 0.810 56 K CB 2.165 34.702 32.500 0.063 0.000 1.315 56 K HN 0.047 nan 8.250 nan 0.000 0.433 57 V N 0.096 120.009 119.914 -0.001 0.000 3.078 57 V HA 0.666 4.791 4.120 0.007 0.000 0.311 57 V C -0.893 175.126 176.094 -0.124 0.000 1.138 57 V CA -1.104 61.132 62.300 -0.107 0.000 1.007 57 V CB 2.035 33.639 31.823 -0.364 0.000 1.045 57 V HN 0.815 nan 8.190 nan 0.000 0.432 58 M N 3.734 123.264 119.600 -0.116 0.000 2.022 58 M HA 0.597 5.082 4.480 0.007 0.000 0.298 58 M C -1.256 174.975 176.300 -0.115 0.000 0.909 58 M CA -0.107 55.145 55.300 -0.080 0.000 0.914 58 M CB 1.573 34.165 32.600 -0.013 0.000 1.486 58 M HN 0.571 nan 8.290 nan 0.000 0.415 59 L N 3.520 124.652 121.223 -0.151 0.000 2.334 59 L HA 0.690 5.034 4.340 0.007 0.000 0.272 59 L C -0.457 176.363 176.870 -0.083 0.000 1.020 59 L CA -0.972 53.775 54.840 -0.155 0.000 0.812 59 L CB 1.922 43.840 42.059 -0.235 0.000 1.264 59 L HN 0.605 nan 8.230 nan 0.000 0.439 60 I N 2.572 123.090 120.570 -0.086 0.000 2.321 60 I HA 0.232 4.406 4.170 0.007 0.000 0.291 60 I C -0.178 175.905 176.117 -0.056 0.000 0.998 60 I CA -0.394 60.853 61.300 -0.089 0.000 1.227 60 I CB 0.933 38.795 38.000 -0.229 0.000 1.368 60 I HN 0.677 nan 8.210 nan 0.000 0.466 61 N N 4.943 123.644 118.700 0.001 0.000 2.725 61 N HA -0.200 4.544 4.740 0.007 0.000 0.249 61 N C 0.952 176.484 175.510 0.037 0.000 1.103 61 N CA 1.295 54.368 53.050 0.039 0.000 0.707 61 N CB -1.311 37.213 38.487 0.062 0.000 1.043 61 N HN 1.142 nan 8.380 nan 0.000 0.553 62 G N -1.842 106.971 108.800 0.021 0.000 2.175 62 G HA2 -0.365 3.600 3.960 0.007 0.000 0.265 62 G HA3 -0.365 3.600 3.960 0.007 0.000 0.265 62 G C 0.068 175.011 174.900 0.071 0.000 0.979 62 G CA 0.662 45.787 45.100 0.041 0.000 0.663 62 G HN 0.577 nan 8.290 nan 0.000 0.533 63 N N -0.929 117.794 118.700 0.039 0.000 2.457 63 N HA 0.503 5.247 4.740 0.007 0.000 0.290 63 N C 1.353 176.878 175.510 0.025 0.000 1.232 63 N CA -0.345 52.754 53.050 0.082 0.000 0.852 63 N CB 1.395 39.923 38.487 0.068 0.000 1.313 63 N HN 0.017 nan 8.380 nan 0.000 0.522 64 I N -0.093 120.548 120.570 0.117 0.000 2.264 64 I HA -0.116 4.058 4.170 0.007 0.000 0.248 64 I C 0.223 176.332 176.117 -0.012 0.000 1.111 64 I CA 1.464 62.806 61.300 0.071 0.000 1.382 64 I CB 0.228 38.370 38.000 0.236 0.000 1.060 64 I HN 0.387 nan 8.210 nan 0.000 0.418 65 M N -0.922 118.670 119.600 -0.013 0.000 2.619 65 M HA 0.390 4.875 4.480 0.007 0.000 0.297 65 M C 0.215 176.477 176.300 -0.063 0.000 1.229 65 M CA -0.539 54.728 55.300 -0.054 0.000 0.860 65 M CB 1.801 34.361 32.600 -0.068 0.000 1.741 65 M HN 0.015 nan 8.290 nan 0.000 0.462 66 G N 1.200 109.939 108.800 -0.101 0.000 2.653 66 G HA2 0.485 4.450 3.960 0.007 0.000 0.265 66 G HA3 0.485 4.450 3.960 0.007 0.000 0.265 66 G C -2.643 172.247 174.900 -0.018 0.000 1.237 66 G CA -0.882 44.142 45.100 -0.127 0.000 0.946 66 G HN 0.391 nan 8.290 nan 0.000 0.522 67 P HA 0.061 nan 4.420 nan 0.000 0.271 67 P C -0.712 176.670 177.300 0.136 0.000 1.218 67 P CA -0.453 62.713 63.100 0.110 0.000 0.780 67 P CB 0.664 32.493 31.700 0.215 0.000 0.901 68 N N 2.576 121.345 118.700 0.115 0.000 2.399 68 N HA 0.146 4.891 4.740 0.007 0.000 0.259 68 N C 0.296 175.859 175.510 0.089 0.000 1.160 68 N CA 0.041 53.158 53.050 0.111 0.000 0.946 68 N CB -0.116 38.427 38.487 0.092 0.000 1.156 68 N HN 0.400 nan 8.380 nan 0.000 0.489 69 I N 2.473 123.074 120.570 0.051 0.000 2.505 69 I HA -0.002 4.173 4.170 0.007 0.000 0.287 69 I C -0.035 176.155 176.117 0.122 0.000 1.104 69 I CA -0.069 61.157 61.300 -0.123 0.000 1.387 69 I CB 0.323 38.266 38.000 -0.095 0.000 1.404 69 I HN 0.013 nan 8.210 nan 0.000 0.528 70 V N 6.590 126.648 119.914 0.240 0.000 2.487 70 V HA 0.852 4.977 4.120 0.007 0.000 0.298 70 V C 0.054 176.272 176.094 0.207 0.000 1.028 70 V CA -0.397 62.028 62.300 0.209 0.000 0.860 70 V CB 1.394 33.330 31.823 0.187 0.000 0.991 70 V HN 0.880 nan 8.190 nan 0.000 0.427 71 A N 4.287 127.202 122.820 0.159 0.000 2.602 71 A HA 0.779 5.104 4.320 0.007 0.000 0.290 71 A C -1.043 176.636 177.584 0.159 0.000 1.114 71 A CA -0.865 51.248 52.037 0.127 0.000 0.683 71 A CB 1.501 20.539 19.000 0.064 0.000 1.281 71 A HN 0.759 nan 8.150 nan 0.000 0.416 72 N N -0.568 118.239 118.700 0.180 0.000 2.477 72 N HA 0.417 5.161 4.740 0.007 0.000 0.284 72 N C -0.922 174.748 175.510 0.267 0.000 1.182 72 N CA -0.401 52.824 53.050 0.292 0.000 0.949 72 N CB 0.805 39.529 38.487 0.395 0.000 1.204 72 N HN 0.706 nan 8.380 nan 0.000 0.526 73 W N 1.392 122.694 121.300 0.003 0.000 2.489 73 W HA 0.276 4.940 4.660 0.007 0.000 0.327 73 W C 0.991 177.492 176.519 -0.030 0.000 1.436 73 W CA 0.577 57.868 57.345 -0.090 0.000 1.315 73 W CB -0.852 28.373 29.460 -0.391 0.000 1.373 73 W HN 0.780 nan 8.180 nan 0.000 0.557 74 G N 3.489 112.333 108.800 0.073 0.000 2.238 74 G HA2 -0.256 3.709 3.960 0.007 0.000 0.217 74 G HA3 -0.256 3.709 3.960 0.007 0.000 0.217 74 G C 0.166 175.036 174.900 -0.050 0.000 0.996 74 G CA -0.055 44.966 45.100 -0.132 0.000 0.632 74 G HN 0.507 nan 8.290 nan 0.000 0.503 75 D N 0.935 121.340 120.400 0.007 0.000 2.371 75 D HA 0.545 5.189 4.640 0.007 0.000 0.242 75 D C 0.450 176.703 176.300 -0.079 0.000 1.218 75 D CA 0.694 54.673 54.000 -0.034 0.000 0.945 75 D CB 0.692 41.481 40.800 -0.019 0.000 1.137 75 D HN 0.083 nan 8.370 nan 0.000 0.464 76 T N 0.280 114.747 114.554 -0.145 0.000 2.797 76 T HA 0.428 4.782 4.350 0.007 0.000 0.279 76 T C -0.306 174.164 174.700 -0.384 0.000 0.991 76 T CA -0.633 61.325 62.100 -0.236 0.000 0.979 76 T CB 1.232 69.986 68.868 -0.190 0.000 0.943 76 T HN -0.042 nan 8.240 nan 0.000 0.444 77 V N 3.534 123.013 119.914 -0.725 0.000 2.394 77 V HA 0.447 4.571 4.120 0.007 0.000 0.282 77 V C 0.133 175.681 176.094 -0.911 0.000 1.031 77 V CA -0.646 61.099 62.300 -0.924 0.000 0.881 77 V CB 1.414 32.271 31.823 -1.611 0.000 0.982 77 V HN 0.855 nan 8.190 nan 0.000 0.451 78 E N 3.738 123.626 120.200 -0.521 0.000 2.199 78 E HA 0.684 5.038 4.350 0.007 0.000 0.265 78 E C -1.744 174.691 176.600 -0.276 0.000 0.882 78 E CA -0.452 55.724 56.400 -0.373 0.000 0.759 78 E CB 2.020 31.575 29.700 -0.243 0.000 1.148 78 E HN 0.479 nan 8.360 nan 0.000 0.412 79 V N 3.782 123.540 119.914 -0.261 0.000 2.482 79 V HA 0.286 4.411 4.120 0.007 0.000 0.295 79 V C -0.388 175.654 176.094 -0.087 0.000 1.026 79 V CA -0.825 61.318 62.300 -0.261 0.000 0.856 79 V CB 1.975 33.461 31.823 -0.560 0.000 1.001 79 V HN 0.734 nan 8.190 nan 0.000 0.424 80 T N 4.666 119.170 114.554 -0.083 0.000 2.728 80 T HA 0.426 4.781 4.350 0.007 0.000 0.296 80 T C -0.083 174.638 174.700 0.036 0.000 0.940 80 T CA -0.174 61.926 62.100 -0.000 0.000 1.013 80 T CB 1.041 69.912 68.868 0.004 0.000 0.912 80 T HN 0.362 nan 8.240 nan 0.000 0.484 81 V N 6.132 126.114 119.914 0.112 0.000 2.350 81 V HA 0.412 4.536 4.120 0.007 0.000 0.276 81 V C 0.101 176.271 176.094 0.126 0.000 1.028 81 V CA -0.697 61.714 62.300 0.185 0.000 0.860 81 V CB 0.777 32.786 31.823 0.311 0.000 0.990 81 V HN 0.790 nan 8.190 nan 0.000 0.453 82 I N 4.614 125.259 120.570 0.126 0.000 2.328 82 I HA 0.343 4.517 4.170 0.007 0.000 0.287 82 I C 0.124 176.277 176.117 0.060 0.000 1.012 82 I CA -0.381 60.962 61.300 0.073 0.000 1.195 82 I CB 1.309 39.349 38.000 0.066 0.000 1.350 82 I HN 0.470 nan 8.210 nan 0.000 0.464 83 N N 6.170 124.881 118.700 0.018 0.000 2.439 83 N HA 0.139 4.884 4.740 0.007 0.000 0.243 83 N C -0.160 175.331 175.510 -0.032 0.000 1.088 83 N CA 0.061 53.099 53.050 -0.020 0.000 0.940 83 N CB 0.323 38.767 38.487 -0.072 0.000 1.180 83 N HN 0.427 nan 8.380 nan 0.000 0.505 84 N N 3.492 122.183 118.700 -0.014 0.000 2.321 84 N HA 0.154 4.898 4.740 0.007 0.000 0.242 84 N C -0.091 175.409 175.510 -0.016 0.000 1.141 84 N CA -0.106 52.937 53.050 -0.012 0.000 0.864 84 N CB 0.530 39.022 38.487 0.009 0.000 1.100 84 N HN 0.477 nan 8.380 nan 0.000 0.510 85 L N -0.195 121.007 121.223 -0.037 0.000 2.475 85 L HA 0.176 4.520 4.340 0.007 0.000 0.253 85 L C 1.893 178.755 176.870 -0.014 0.000 1.198 85 L CA -0.417 54.408 54.840 -0.024 0.000 0.814 85 L CB 0.705 42.736 42.059 -0.048 0.000 1.134 85 L HN -0.156 nan 8.230 nan 0.000 0.478 86 V N -0.480 119.453 119.914 0.031 0.000 2.302 86 V HA -0.162 3.962 4.120 0.007 0.000 0.243 86 V C 1.954 178.097 176.094 0.081 0.000 1.036 86 V CA 2.285 64.620 62.300 0.057 0.000 1.020 86 V CB -0.583 31.295 31.823 0.092 0.000 0.657 86 V HN 1.091 nan 8.190 nan 0.000 0.453 87 T N -4.105 110.538 114.554 0.149 0.000 3.019 87 T HA 0.140 4.494 4.350 0.007 0.000 0.247 87 T C 0.749 175.608 174.700 0.264 0.000 0.992 87 T CA -0.164 62.094 62.100 0.264 0.000 1.036 87 T CB -0.444 68.666 68.868 0.403 0.000 1.063 87 T HN 0.353 nan 8.240 nan 0.000 0.476 88 N N 1.821 120.616 118.700 0.159 0.000 2.454 88 N HA 0.388 5.132 4.740 0.007 0.000 0.254 88 N C 0.332 175.584 175.510 -0.431 0.000 1.228 88 N CA 0.042 53.049 53.050 -0.071 0.000 0.900 88 N CB 0.749 39.150 38.487 -0.142 0.000 1.089 88 N HN 0.540 nan 8.380 nan 0.000 0.449 89 G N 0.139 108.331 108.800 -1.013 0.000 2.557 89 G HA2 0.419 4.383 3.960 0.007 0.000 0.292 89 G HA3 0.419 4.383 3.960 0.007 0.000 0.292 89 G C -0.471 173.604 174.900 -1.375 0.000 1.237 89 G CA -0.080 44.453 45.100 -0.945 0.000 0.978 89 G HN 0.426 nan 8.290 nan 0.000 0.498 90 T N -1.693 112.408 114.554 -0.755 0.000 2.821 90 T HA 0.617 4.972 4.350 0.007 0.000 0.306 90 T C -1.188 173.403 174.700 -0.181 0.000 1.313 90 T CA -0.027 61.822 62.100 -0.417 0.000 1.012 90 T CB 1.431 70.168 68.868 -0.219 0.000 1.298 90 T HN 1.468 nan 8.240 nan 0.000 0.502 91 S N 2.697 118.384 115.700 -0.023 0.000 2.605 91 S HA 0.542 5.017 4.470 0.007 0.000 0.279 91 S C -1.362 173.241 174.600 0.005 0.000 1.166 91 S CA -0.950 57.302 58.200 0.086 0.000 0.975 91 S CB 0.667 63.915 63.200 0.081 0.000 1.111 91 S HN 0.605 nan 8.310 nan 0.000 0.465 92 I N 4.206 124.686 120.570 -0.151 0.000 2.304 92 I HA 0.350 4.524 4.170 0.007 0.000 0.291 92 I C 0.340 175.816 176.117 -1.069 0.000 1.018 92 I CA -0.173 60.752 61.300 -0.625 0.000 1.260 92 I CB 0.210 37.734 38.000 -0.795 0.000 1.390 92 I HN 0.933 nan 8.210 nan 0.000 0.475 93 H N 6.527 124.998 119.070 -0.998 0.000 2.473 93 H HA 0.356 4.916 4.556 0.007 0.000 0.327 93 H C -1.359 173.224 175.328 -1.243 0.000 1.105 93 H CA -0.601 54.870 56.048 -0.960 0.000 1.280 93 H CB 0.732 30.155 29.762 -0.563 0.000 1.450 93 H HN 0.410 nan 8.280 nan 0.000 0.492 94 W N 5.311 126.038 121.300 -0.955 0.000 2.175 94 W HA 0.195 4.860 4.660 0.008 0.000 0.350 94 W C -0.038 175.820 176.519 -1.102 0.000 0.877 94 W CA -0.888 55.933 57.345 -0.873 0.000 1.544 94 W CB -0.440 28.482 29.460 -0.897 0.000 1.585 94 W HN 0.682 nan 8.180 nan 0.000 0.347 95 H N 1.674 120.016 119.070 -1.214 0.000 3.046 95 H HA 0.320 4.880 4.556 0.007 0.000 0.303 95 H C 1.454 176.541 175.328 -0.402 0.000 1.002 95 H CA 1.685 57.218 56.048 -0.858 0.000 1.460 95 H CB 0.438 29.549 29.762 -1.085 0.000 1.493 95 H HN 0.774 nan 8.280 nan 0.000 0.559 96 G N 4.661 113.428 108.800 -0.054 0.000 2.254 96 G HA2 -0.239 3.725 3.960 0.007 0.000 0.225 96 G HA3 -0.239 3.725 3.960 0.007 0.000 0.225 96 G C -0.063 174.762 174.900 -0.125 0.000 1.003 96 G CA 0.023 45.128 45.100 0.008 0.000 0.622 96 G HN 0.551 nan 8.290 nan 0.000 0.507 97 I N 2.772 123.194 120.570 -0.248 0.000 2.379 97 I HA 0.335 4.510 4.170 0.007 0.000 0.290 97 I C 1.518 177.544 176.117 -0.151 0.000 1.063 97 I CA -0.518 60.569 61.300 -0.355 0.000 1.351 97 I CB 0.714 38.255 38.000 -0.764 0.000 1.410 97 I HN 0.048 nan 8.210 nan 0.000 0.505 98 H N 5.015 123.932 119.070 -0.255 0.000 2.456 98 H HA -0.059 4.501 4.556 0.007 0.000 0.296 98 H C 0.419 175.577 175.328 -0.283 0.000 1.079 98 H CA 0.506 56.361 56.048 -0.322 0.000 1.322 98 H CB 0.071 29.668 29.762 -0.276 0.000 1.388 98 H HN 0.435 nan 8.280 nan 0.000 0.538 99 Q N -0.057 119.755 119.800 0.021 0.000 2.460 99 Q HA -0.207 4.138 4.340 0.007 0.000 0.311 99 Q C -0.013 176.111 176.000 0.207 0.000 1.396 99 Q CA 0.498 56.398 55.803 0.162 0.000 0.838 99 Q CB -1.676 27.275 28.738 0.355 0.000 1.140 99 Q HN 0.399 nan 8.270 nan 0.000 0.415 100 K N 2.217 122.691 120.400 0.122 0.000 2.366 100 K HA -0.033 4.291 4.320 0.007 0.000 0.279 100 K C 0.137 176.825 176.600 0.148 0.000 1.098 100 K CA 0.784 57.138 56.287 0.112 0.000 1.087 100 K CB 0.070 32.625 32.500 0.092 0.000 0.901 100 K HN 0.243 nan 8.250 nan 0.000 0.463 101 D N 2.245 122.757 120.400 0.187 0.000 3.012 101 D HA -0.169 4.475 4.640 0.007 0.000 0.222 101 D C -0.528 175.873 176.300 0.169 0.000 1.167 101 D CA 1.720 55.819 54.000 0.164 0.000 0.854 101 D CB -1.399 39.469 40.800 0.112 0.000 1.107 101 D HN 0.720 nan 8.370 nan 0.000 0.421 102 T N -2.874 111.817 114.554 0.228 0.000 3.483 102 T HA 0.184 4.538 4.350 0.007 0.000 0.258 102 T C 0.904 175.804 174.700 0.333 0.000 1.013 102 T CA -0.313 61.944 62.100 0.262 0.000 1.078 102 T CB 0.297 69.283 68.868 0.198 0.000 1.111 102 T HN 0.150 nan 8.240 nan 0.000 0.538 103 N N 1.215 120.047 118.700 0.219 0.000 2.137 103 N HA -0.098 4.647 4.740 0.007 0.000 0.190 103 N C 1.464 176.995 175.510 0.035 0.000 1.017 103 N CA 1.111 54.162 53.050 0.003 0.000 0.859 103 N CB -0.105 38.177 38.487 -0.342 0.000 1.002 103 N HN 0.508 nan 8.380 nan 0.000 0.428 104 L N -0.202 121.064 121.223 0.071 0.000 2.549 104 L HA -0.080 4.265 4.340 0.007 0.000 0.229 104 L C 0.964 177.845 176.870 0.017 0.000 1.158 104 L CA 0.813 55.662 54.840 0.014 0.000 0.842 104 L CB -0.600 41.426 42.059 -0.055 0.000 0.952 104 L HN 0.354 nan 8.230 nan 0.000 0.452 105 H N -1.597 117.640 119.070 0.277 0.000 2.594 105 H HA 0.026 4.586 4.556 0.008 0.000 0.279 105 H C 1.036 176.728 175.328 0.606 0.000 1.042 105 H CA 0.023 56.362 56.048 0.484 0.000 1.177 105 H CB 0.626 30.646 29.762 0.430 0.000 1.524 105 H HN 0.258 nan 8.280 nan 0.000 0.537 106 D N 0.677 121.386 120.400 0.516 0.000 2.264 106 D HA -0.062 4.583 4.640 0.007 0.000 0.208 106 D C 1.771 178.333 176.300 0.437 0.000 0.966 106 D CA 1.190 55.490 54.000 0.501 0.000 0.864 106 D CB 0.044 41.111 40.800 0.445 0.000 0.933 106 D HN 0.536 nan 8.370 nan 0.000 0.499 107 G N -0.635 108.413 108.800 0.414 0.000 2.160 107 G HA2 -0.183 3.781 3.960 0.007 0.000 0.251 107 G HA3 -0.183 3.781 3.960 0.007 0.000 0.251 107 G C 0.273 175.268 174.900 0.159 0.000 1.008 107 G CA 0.352 45.622 45.100 0.284 0.000 0.724 107 G HN 0.698 nan 8.290 nan 0.000 0.514 108 A N 0.955 123.836 122.820 0.101 0.000 2.621 108 A HA 0.596 4.921 4.320 0.007 0.000 0.329 108 A C 0.706 178.266 177.584 -0.041 0.000 1.458 108 A CA -0.005 51.981 52.037 -0.084 0.000 1.052 108 A CB -0.283 18.609 19.000 -0.180 0.000 1.142 108 A HN 0.868 nan 8.150 nan 0.000 0.523 109 N N 1.730 120.434 118.700 0.006 0.000 2.454 109 N HA 0.295 5.040 4.740 0.007 0.000 0.260 109 N C 0.911 176.486 175.510 0.108 0.000 1.218 109 N CA 0.366 53.436 53.050 0.034 0.000 0.904 109 N CB 0.656 39.114 38.487 -0.049 0.000 1.065 109 N HN 1.034 nan 8.380 nan 0.000 0.462 110 G N 0.281 109.156 108.800 0.124 0.000 2.176 110 G HA2 -0.276 3.689 3.960 0.007 0.000 0.253 110 G HA3 -0.276 3.689 3.960 0.007 0.000 0.253 110 G C 0.351 175.276 174.900 0.042 0.000 0.979 110 G CA 0.367 45.539 45.100 0.120 0.000 0.641 110 G HN 0.526 nan 8.290 nan 0.000 0.530 111 V N -0.020 119.898 119.914 0.007 0.000 3.264 111 V HA 0.204 4.329 4.120 0.007 0.000 0.217 111 V C 2.477 178.554 176.094 -0.028 0.000 1.236 111 V CA 2.419 64.682 62.300 -0.061 0.000 1.287 111 V CB 0.084 31.808 31.823 -0.165 0.000 1.241 111 V HN 0.722 nan 8.190 nan 0.000 0.518 112 T N -0.808 113.741 114.554 -0.008 0.000 3.044 112 T HA 0.258 4.613 4.350 0.007 0.000 0.250 112 T C 0.323 175.141 174.700 0.197 0.000 1.081 112 T CA 0.487 62.595 62.100 0.013 0.000 1.040 112 T CB -0.050 68.816 68.868 -0.004 0.000 0.962 112 T HN 0.753 nan 8.240 nan 0.000 0.506 113 E N -1.073 119.279 120.200 0.253 0.000 2.422 113 E HA 0.454 4.808 4.350 0.007 0.000 0.280 113 E C -1.615 175.008 176.600 0.039 0.000 1.091 113 E CA -1.188 55.366 56.400 0.256 0.000 0.849 113 E CB 0.499 30.270 29.700 0.119 0.000 1.353 113 E HN 0.060 nan 8.360 nan 0.000 0.449 114 c N 1.257 119.756 118.600 -0.169 0.000 2.382 114 c HA 0.529 5.103 4.570 0.007 0.000 0.363 114 c C -2.131 171.710 174.090 -0.414 0.000 1.213 114 c CA -1.016 55.141 56.329 -0.286 0.000 2.363 114 c CB 0.208 42.572 42.510 -0.243 0.000 2.397 114 c HN 0.590 nan 8.230 nan 0.000 0.573 115 P HA 0.206 nan 4.420 nan 0.000 0.271 115 P C -0.693 176.298 177.300 -0.515 0.000 1.218 115 P CA 0.105 62.717 63.100 -0.814 0.000 0.780 115 P CB 0.251 31.037 31.700 -1.524 0.000 0.901 116 I N 4.733 125.122 120.570 -0.302 0.000 2.517 116 I HA 0.115 4.290 4.170 0.007 0.000 0.285 116 I C -1.644 174.426 176.117 -0.079 0.000 1.106 116 I CA -1.925 59.298 61.300 -0.129 0.000 1.402 116 I CB 0.264 38.214 38.000 -0.084 0.000 1.399 116 I HN 0.196 nan 8.210 nan 0.000 0.535 117 P HA 0.114 nan 4.420 nan 0.000 0.269 117 P C -2.533 174.671 177.300 -0.159 0.000 1.209 117 P CA -1.081 62.068 63.100 0.081 0.000 0.776 117 P CB 0.061 31.828 31.700 0.112 0.000 0.876 118 P HA 0.021 nan 4.420 nan 0.000 0.293 118 P C -0.135 177.038 177.300 -0.212 0.000 1.298 118 P CA 0.006 62.938 63.100 -0.279 0.000 0.757 118 P CB 0.158 31.666 31.700 -0.321 0.000 1.262 119 K N -1.489 118.838 120.400 -0.121 0.000 3.069 119 K HA -0.193 4.132 4.320 0.007 0.000 0.267 119 K C 0.974 177.553 176.600 -0.035 0.000 1.082 119 K CA 1.271 57.524 56.287 -0.058 0.000 0.782 119 K CB -2.599 29.877 32.500 -0.040 0.000 1.230 119 K HN 1.047 nan 8.250 nan 0.000 0.488 120 G N -1.860 106.920 108.800 -0.034 0.000 2.184 120 G HA2 -0.166 3.798 3.960 0.007 0.000 0.206 120 G HA3 -0.166 3.798 3.960 0.007 0.000 0.206 120 G C 0.443 175.336 174.900 -0.012 0.000 0.995 120 G CA 0.262 45.354 45.100 -0.013 0.000 0.651 120 G HN 0.800 nan 8.290 nan 0.000 0.511 121 G N 0.176 108.959 108.800 -0.028 0.000 2.441 121 G HA2 0.576 4.541 3.960 0.007 0.000 0.243 121 G HA3 0.576 4.541 3.960 0.007 0.000 0.243 121 G C 0.084 174.977 174.900 -0.011 0.000 1.281 121 G CA 0.878 45.967 45.100 -0.018 0.000 0.854 121 G HN 1.170 nan 8.290 nan 0.000 0.560 122 Q N 0.373 120.167 119.800 -0.010 0.000 2.456 122 Q HA 0.772 5.116 4.340 0.007 0.000 0.283 122 Q C -1.078 174.900 176.000 -0.037 0.000 1.084 122 Q CA -1.279 54.519 55.803 -0.008 0.000 0.801 122 Q CB 2.555 31.295 28.738 0.004 0.000 1.434 122 Q HN 0.499 nan 8.270 nan 0.000 0.419 123 R N 0.830 121.299 120.500 -0.052 0.000 2.594 123 R HA 0.368 4.713 4.340 0.007 0.000 0.265 123 R C -1.718 174.505 176.300 -0.130 0.000 1.070 123 R CA -0.257 55.760 56.100 -0.138 0.000 0.909 123 R CB 2.680 32.824 30.300 -0.259 0.000 1.243 123 R HN 0.899 nan 8.270 nan 0.000 0.455 124 T N 4.350 118.827 114.554 -0.129 0.000 2.756 124 T HA 0.406 4.760 4.350 0.007 0.000 0.290 124 T C -0.811 173.878 174.700 -0.019 0.000 0.985 124 T CA -0.207 61.868 62.100 -0.042 0.000 0.955 124 T CB 0.181 69.039 68.868 -0.018 0.000 0.930 124 T HN 0.255 nan 8.240 nan 0.000 0.451 125 Y N 2.204 122.578 120.300 0.124 0.000 2.299 125 Y HA 0.547 5.101 4.550 0.007 0.000 0.326 125 Y C 0.966 176.891 175.900 0.042 0.000 1.164 125 Y CA -0.707 57.565 58.100 0.287 0.000 1.234 125 Y CB 0.972 39.658 38.460 0.376 0.000 1.219 125 Y HN 0.349 nan 8.280 nan 0.000 0.497 126 R N 4.988 125.604 120.500 0.194 0.000 2.510 126 R HA 0.294 4.638 4.340 0.007 0.000 0.294 126 R C -2.035 174.082 176.300 -0.305 0.000 1.056 126 R CA -0.553 55.402 56.100 -0.241 0.000 0.918 126 R CB 1.101 31.275 30.300 -0.210 0.000 1.187 126 R HN 0.903 nan 8.270 nan 0.000 0.437 127 W N 2.945 124.046 121.300 -0.331 0.000 3.107 127 W HA 0.513 5.177 4.660 0.007 0.000 0.331 127 W C -1.301 175.109 176.519 -0.182 0.000 1.204 127 W CA -1.241 55.946 57.345 -0.265 0.000 1.184 127 W CB 0.691 29.997 29.460 -0.256 0.000 1.421 127 W HN 0.363 nan 8.180 nan 0.000 0.544 128 R N 1.967 122.590 120.500 0.205 0.000 2.308 128 R HA 0.523 4.868 4.340 0.007 0.000 0.305 128 R C -0.126 176.351 176.300 0.295 0.000 1.053 128 R CA -0.127 56.055 56.100 0.138 0.000 0.957 128 R CB 1.202 31.553 30.300 0.085 0.000 1.022 128 R HN 0.555 nan 8.270 nan 0.000 0.461 129 A N 5.648 128.611 122.820 0.238 0.000 2.915 129 A HA 0.196 4.521 4.320 0.007 0.000 0.292 129 A C 0.171 177.938 177.584 0.304 0.000 1.632 129 A CA -0.327 51.899 52.037 0.315 0.000 1.337 129 A CB -0.273 18.881 19.000 0.257 0.000 1.111 129 A HN 0.875 nan 8.150 nan 0.000 0.569 130 R N 0.410 121.060 120.500 0.249 0.000 2.335 130 R HA 0.112 4.456 4.340 0.007 0.000 0.223 130 R C 0.159 176.630 176.300 0.285 0.000 0.940 130 R CA 0.292 56.578 56.100 0.310 0.000 1.086 130 R CB 0.179 30.606 30.300 0.211 0.000 1.073 130 R HN 0.803 nan 8.270 nan 0.000 0.504 131 Q N 0.196 120.033 119.800 0.062 0.000 2.340 131 Q HA 0.245 4.589 4.340 0.007 0.000 0.276 131 Q C -1.803 173.965 176.000 -0.387 0.000 1.048 131 Q CA -1.011 54.583 55.803 -0.348 0.000 0.832 131 Q CB 1.757 30.210 28.738 -0.475 0.000 1.373 131 Q HN 0.148 nan 8.270 nan 0.000 0.409 132 Y N 0.553 120.407 120.300 -0.744 0.000 2.429 132 Y HA 0.984 5.539 4.550 0.007 0.000 0.342 132 Y C 0.350 175.964 175.900 -0.477 0.000 1.004 132 Y CA -0.084 57.655 58.100 -0.603 0.000 1.075 132 Y CB 1.760 39.712 38.460 -0.847 0.000 1.214 132 Y HN 0.781 nan 8.280 nan 0.000 0.455 133 G N 0.744 109.424 108.800 -0.199 0.000 2.291 133 G HA2 0.277 4.241 3.960 0.007 0.000 0.249 133 G HA3 0.277 4.241 3.960 0.007 0.000 0.249 133 G C -1.489 173.349 174.900 -0.103 0.000 1.340 133 G CA -0.596 44.394 45.100 -0.183 0.000 1.017 133 G HN 0.752 nan 8.290 nan 0.000 0.470 134 T N 0.922 115.414 114.554 -0.104 0.000 2.779 134 T HA 0.803 5.158 4.350 0.007 0.000 0.280 134 T C -0.108 174.564 174.700 -0.047 0.000 0.987 134 T CA 0.047 62.114 62.100 -0.056 0.000 0.966 134 T CB 1.503 70.335 68.868 -0.060 0.000 0.933 134 T HN 0.754 nan 8.240 nan 0.000 0.442 135 S N 1.620 117.333 115.700 0.022 0.000 2.851 135 S HA 0.853 5.327 4.470 0.007 0.000 0.313 135 S C -1.603 173.123 174.600 0.210 0.000 1.163 135 S CA -0.974 57.284 58.200 0.096 0.000 0.850 135 S CB 1.498 64.718 63.200 0.034 0.000 1.245 135 S HN 0.828 nan 8.310 nan 0.000 0.558 136 W N 0.607 121.819 121.300 -0.147 0.000 3.025 136 W HA 0.683 5.347 4.660 0.007 0.000 0.343 136 W C -2.444 174.008 176.519 -0.112 0.000 1.246 136 W CA -1.246 55.986 57.345 -0.187 0.000 1.178 136 W CB -0.101 29.156 29.460 -0.339 0.000 1.463 136 W HN 0.753 nan 8.180 nan 0.000 0.578 137 Y N 0.122 120.339 120.300 -0.140 0.000 2.536 137 Y HA 0.814 5.368 4.550 0.007 0.000 0.347 137 Y C -0.761 174.848 175.900 -0.485 0.000 1.000 137 Y CA -1.345 56.441 58.100 -0.523 0.000 1.051 137 Y CB 1.657 39.894 38.460 -0.373 0.000 1.259 137 Y HN 0.750 nan 8.280 nan 0.000 0.468 138 H N -1.639 117.123 119.070 -0.514 0.000 3.003 138 H HA 0.541 5.101 4.556 0.007 0.000 0.327 138 H C -1.382 173.768 175.328 -0.297 0.000 1.353 138 H CA -1.028 54.756 56.048 -0.439 0.000 1.142 138 H CB 1.001 30.200 29.762 -0.939 0.000 1.864 138 H HN 0.775 nan 8.280 nan 0.000 0.529 139 S N -0.398 115.349 115.700 0.078 0.000 2.576 139 S HA 0.074 4.549 4.470 0.007 0.000 0.276 139 S C -0.028 174.709 174.600 0.228 0.000 1.339 139 S CA -0.319 57.953 58.200 0.120 0.000 1.039 139 S CB 0.140 63.460 63.200 0.199 0.000 0.902 139 S HN 0.792 nan 8.310 nan 0.000 0.516 140 H N 3.039 122.207 119.070 0.164 0.000 2.674 140 H HA 0.242 4.803 4.556 0.007 0.000 0.274 140 H C -0.780 174.671 175.328 0.205 0.000 1.121 140 H CA -0.377 55.777 56.048 0.177 0.000 1.132 140 H CB -0.098 29.703 29.762 0.066 0.000 1.606 140 H HN 0.597 nan 8.280 nan 0.000 0.558 141 F N 2.017 122.068 119.950 0.169 0.000 2.509 141 F HA 0.214 4.745 4.527 0.006 0.000 0.350 141 F C 0.886 176.824 175.800 0.231 0.000 1.220 141 F CA 0.206 58.264 58.000 0.097 0.000 1.151 141 F CB -0.213 38.719 39.000 -0.112 0.000 1.379 141 F HN 0.066 nan 8.300 nan 0.000 0.610 142 S N 2.434 118.242 115.700 0.179 0.000 3.949 142 S HA -0.324 4.151 4.470 0.007 0.000 0.626 142 S C 0.803 175.511 174.600 0.180 0.000 2.168 142 S CA 0.929 59.224 58.200 0.158 0.000 4.124 142 S CB -1.420 61.856 63.200 0.127 0.000 0.220 142 S HN 1.060 nan 8.310 nan 0.000 0.750 143 A N 0.773 123.688 122.820 0.158 0.000 2.610 143 A HA 0.381 4.706 4.320 0.007 0.000 0.286 143 A C 1.401 179.020 177.584 0.058 0.000 1.306 143 A CA 0.874 52.941 52.037 0.051 0.000 0.942 143 A CB -0.263 18.787 19.000 0.084 0.000 1.112 143 A HN 0.567 nan 8.150 nan 0.000 0.527 144 Q N -0.439 119.485 119.800 0.207 0.000 2.197 144 Q HA -0.261 4.084 4.340 0.007 0.000 0.207 144 Q C 1.583 177.693 176.000 0.184 0.000 0.984 144 Q CA 2.325 58.263 55.803 0.225 0.000 0.869 144 Q CB -0.360 28.570 28.738 0.320 0.000 0.906 144 Q HN 0.991 nan 8.270 nan 0.000 0.426 145 Y N -2.262 118.101 120.300 0.105 0.000 2.483 145 Y HA 0.104 4.658 4.550 0.008 0.000 0.291 145 Y C 1.732 177.682 175.900 0.084 0.000 1.143 145 Y CA 0.992 59.143 58.100 0.086 0.000 1.289 145 Y CB -0.848 37.664 38.460 0.086 0.000 0.983 145 Y HN 0.004 nan 8.280 nan 0.000 0.556 146 G N 0.534 109.204 108.800 -0.217 0.000 2.598 146 G HA2 -0.199 3.765 3.960 0.007 0.000 0.215 146 G HA3 -0.199 3.765 3.960 0.007 0.000 0.215 146 G C 1.161 176.095 174.900 0.057 0.000 1.131 146 G CA 0.543 45.561 45.100 -0.137 0.000 0.785 146 G HN 0.406 nan 8.290 nan 0.000 0.539 147 N N 0.096 118.836 118.700 0.067 0.000 2.280 147 N HA 0.161 4.905 4.740 0.007 0.000 0.192 147 N C 1.593 177.116 175.510 0.021 0.000 1.109 147 N CA 0.870 53.955 53.050 0.058 0.000 0.855 147 N CB 0.767 39.285 38.487 0.053 0.000 0.974 147 N HN 0.391 nan 8.380 nan 0.000 0.482 148 G N -0.742 108.095 108.800 0.062 0.000 2.227 148 G HA2 -0.219 3.745 3.960 0.007 0.000 0.168 148 G HA3 -0.219 3.745 3.960 0.007 0.000 0.168 148 G C -0.128 174.791 174.900 0.032 0.000 1.006 148 G CA -0.212 44.899 45.100 0.019 0.000 0.684 148 G HN 0.111 nan 8.290 nan 0.000 0.489 149 V N 1.562 121.528 119.914 0.088 0.000 2.055 149 V HA 0.562 4.686 4.120 0.007 0.000 0.248 149 V C 0.512 176.687 176.094 0.136 0.000 1.476 149 V CA 0.345 62.699 62.300 0.091 0.000 1.417 149 V CB 0.404 32.290 31.823 0.105 0.000 1.465 149 V HN 0.661 nan 8.190 nan 0.000 0.502 150 V N 2.385 122.334 119.914 0.058 0.000 3.147 150 V HA 1.048 5.172 4.120 0.007 0.000 0.306 150 V C -0.022 175.882 176.094 -0.316 0.000 1.209 150 V CA 0.449 62.732 62.300 -0.028 0.000 1.023 150 V CB 2.472 34.387 31.823 0.154 0.000 1.059 150 V HN 0.724 nan 8.190 nan 0.000 0.435 151 G N 1.860 110.189 108.800 -0.785 0.000 2.488 151 G HA2 0.653 4.617 3.960 0.007 0.000 0.301 151 G HA3 0.653 4.617 3.960 0.007 0.000 0.301 151 G C -0.721 173.682 174.900 -0.829 0.000 1.339 151 G CA 0.167 44.679 45.100 -0.980 0.000 0.803 151 G HN 1.361 nan 8.290 nan 0.000 0.482 152 T N -2.025 112.305 114.554 -0.374 0.000 2.940 152 T HA 0.800 5.155 4.350 0.007 0.000 0.288 152 T C -0.519 174.282 174.700 0.168 0.000 1.033 152 T CA -0.708 61.354 62.100 -0.062 0.000 1.033 152 T CB 1.785 70.634 68.868 -0.031 0.000 1.079 152 T HN 0.558 nan 8.240 nan 0.000 0.496 153 I N 1.306 121.994 120.570 0.197 0.000 2.499 153 I HA 0.392 4.566 4.170 0.007 0.000 0.288 153 I C -0.508 175.700 176.117 0.150 0.000 1.048 153 I CA -0.687 60.764 61.300 0.251 0.000 1.062 153 I CB 2.246 40.453 38.000 0.345 0.000 1.238 153 I HN 0.688 nan 8.210 nan 0.000 0.426 154 Q N 7.065 126.950 119.800 0.141 0.000 2.394 154 Q HA 0.436 4.781 4.340 0.007 0.000 0.261 154 Q C -1.537 174.532 176.000 0.114 0.000 1.023 154 Q CA -0.628 55.234 55.803 0.098 0.000 0.720 154 Q CB 1.301 30.091 28.738 0.086 0.000 1.241 154 Q HN 0.511 nan 8.270 nan 0.000 0.483 155 I N 3.857 124.482 120.570 0.091 0.000 2.306 155 I HA 0.247 4.422 4.170 0.007 0.000 0.288 155 I C -0.038 176.103 176.117 0.039 0.000 1.036 155 I CA -0.563 60.795 61.300 0.097 0.000 1.221 155 I CB 0.554 38.619 38.000 0.108 0.000 1.385 155 I HN 0.591 nan 8.210 nan 0.000 0.472 156 N N 4.750 123.489 118.700 0.065 0.000 2.492 156 N HA 0.477 5.221 4.740 0.007 0.000 0.260 156 N C 0.454 175.707 175.510 -0.427 0.000 1.215 156 N CA 0.306 53.356 53.050 -0.001 0.000 0.923 156 N CB 1.887 40.511 38.487 0.228 0.000 1.092 156 N HN 0.872 nan 8.380 nan 0.000 0.448 157 G N 1.106 109.444 108.800 -0.770 0.000 2.561 157 G HA2 0.389 4.353 3.960 0.007 0.000 0.310 157 G HA3 0.389 4.353 3.960 0.007 0.000 0.310 157 G C -3.118 171.177 174.900 -1.008 0.000 1.292 157 G CA -0.580 43.508 45.100 -1.686 0.000 0.811 157 G HN 0.298 nan 8.290 nan 0.000 0.482 158 P HA 0.540 nan 4.420 nan 0.000 0.275 158 P C -0.533 176.728 177.300 -0.064 0.000 1.266 158 P CA 0.087 63.043 63.100 -0.239 0.000 0.793 158 P CB 1.701 33.315 31.700 -0.143 0.000 1.074 159 A N 0.092 122.973 122.820 0.102 0.000 2.515 159 A HA 0.489 4.814 4.320 0.007 0.000 0.296 159 A C 0.809 178.486 177.584 0.156 0.000 1.094 159 A CA -0.242 51.907 52.037 0.186 0.000 0.718 159 A CB 0.710 19.931 19.000 0.368 0.000 1.307 159 A HN 0.472 nan 8.150 nan 0.000 0.408 160 S N -0.360 115.428 115.700 0.146 0.000 2.603 160 S HA 0.392 4.866 4.470 0.007 0.000 0.220 160 S C 0.000 174.669 174.600 0.114 0.000 0.967 160 S CA 0.432 58.703 58.200 0.119 0.000 0.920 160 S CB -0.568 62.693 63.200 0.101 0.000 0.773 160 S HN 0.890 nan 8.310 nan 0.000 0.529 161 L N 1.550 122.862 121.223 0.147 0.000 2.545 161 L HA 0.558 4.902 4.340 0.007 0.000 0.258 161 L C -2.770 174.205 176.870 0.175 0.000 0.942 161 L CA -1.732 53.192 54.840 0.140 0.000 0.855 161 L CB 2.117 44.258 42.059 0.136 0.000 1.374 161 L HN -0.169 nan 8.230 nan 0.000 0.411 162 P HA 0.334 nan 4.420 nan 0.000 0.275 162 P C -1.903 175.465 177.300 0.113 0.000 1.228 162 P CA 0.101 63.213 63.100 0.019 0.000 0.786 162 P CB 0.671 32.369 31.700 -0.004 0.000 0.927 163 Y N -1.544 118.759 120.300 0.005 0.000 2.624 163 Y HA 0.423 4.978 4.550 0.008 0.000 0.334 163 Y C 0.181 176.058 175.900 -0.039 0.000 1.155 163 Y CA -0.932 57.157 58.100 -0.018 0.000 1.046 163 Y CB 0.252 38.708 38.460 -0.007 0.000 1.316 163 Y HN 0.129 nan 8.280 nan 0.000 0.457 164 D N 1.444 121.890 120.400 0.077 0.000 2.269 164 D HA 0.190 4.835 4.640 0.007 0.000 0.220 164 D C 0.154 176.473 176.300 0.031 0.000 0.962 164 D CA 1.232 55.217 54.000 -0.025 0.000 0.884 164 D CB 1.081 41.824 40.800 -0.094 0.000 1.023 164 D HN 0.476 nan 8.370 nan 0.000 0.484 165 I N 1.040 121.638 120.570 0.047 0.000 2.509 165 I HA 0.168 4.342 4.170 0.007 0.000 0.293 165 I C -0.666 175.538 176.117 0.145 0.000 1.020 165 I CA -0.817 60.515 61.300 0.054 0.000 1.088 165 I CB 2.529 40.479 38.000 -0.084 0.000 1.267 165 I HN -0.296 nan 8.210 nan 0.000 0.430 166 D N 6.122 126.607 120.400 0.142 0.000 2.454 166 D HA 0.300 4.945 4.640 0.007 0.000 0.225 166 D C 0.675 176.984 176.300 0.015 0.000 1.081 166 D CA -0.245 53.792 54.000 0.062 0.000 0.864 166 D CB 1.250 42.143 40.800 0.154 0.000 1.040 166 D HN 0.439 nan 8.370 nan 0.000 0.517 167 L N 2.784 123.987 121.223 -0.035 0.000 2.456 167 L HA 0.130 4.475 4.340 0.007 0.000 0.224 167 L C 1.615 178.441 176.870 -0.073 0.000 1.148 167 L CA 0.677 55.471 54.840 -0.076 0.000 0.825 167 L CB -0.688 41.267 42.059 -0.173 0.000 0.937 167 L HN 0.667 nan 8.230 nan 0.000 0.450 168 G N -0.225 108.546 108.800 -0.049 0.000 2.568 168 G HA2 -0.241 3.723 3.960 0.007 0.000 0.222 168 G HA3 -0.241 3.723 3.960 0.007 0.000 0.222 168 G C -0.216 174.676 174.900 -0.013 0.000 1.321 168 G CA -0.362 44.729 45.100 -0.016 0.000 0.893 168 G HN 0.251 nan 8.290 nan 0.000 0.569 169 V N -2.780 117.146 119.914 0.020 0.000 2.811 169 V HA 0.694 4.818 4.120 0.007 0.000 0.302 169 V C 0.276 176.450 176.094 0.133 0.000 1.063 169 V CA 0.105 62.429 62.300 0.041 0.000 1.088 169 V CB 1.387 33.218 31.823 0.014 0.000 0.982 169 V HN 1.571 nan 8.190 nan 0.000 0.485 170 F N 6.364 126.237 119.950 -0.129 0.000 2.710 170 F HA 0.547 5.079 4.527 0.008 0.000 0.345 170 F C -2.552 173.147 175.800 -0.168 0.000 1.362 170 F CA -2.797 55.107 58.000 -0.159 0.000 1.175 170 F CB 1.560 40.452 39.000 -0.181 0.000 1.561 170 F HN 0.487 nan 8.300 nan 0.000 0.593 171 P HA 0.296 nan 4.420 nan 0.000 0.276 171 P C -0.468 176.606 177.300 -0.377 0.000 1.243 171 P CA 0.169 63.093 63.100 -0.293 0.000 0.768 171 P CB 1.553 33.102 31.700 -0.252 0.000 0.856 172 I N 2.471 122.840 120.570 -0.335 0.000 2.406 172 I HA 0.434 4.608 4.170 0.007 0.000 0.290 172 I C 0.606 176.650 176.117 -0.122 0.000 0.999 172 I CA -0.334 60.753 61.300 -0.354 0.000 1.124 172 I CB 2.135 39.853 38.000 -0.471 0.000 1.289 172 I HN 0.272 nan 8.210 nan 0.000 0.441 173 T N 3.359 117.866 114.554 -0.079 0.000 2.900 173 T HA 0.344 4.698 4.350 0.007 0.000 0.303 173 T C -1.359 173.476 174.700 0.224 0.000 1.142 173 T CA -0.750 61.426 62.100 0.127 0.000 1.007 173 T CB 1.396 70.280 68.868 0.026 0.000 1.156 173 T HN 0.675 nan 8.240 nan 0.000 0.490 174 D N 1.642 122.226 120.400 0.308 0.000 2.339 174 D HA 0.308 4.952 4.640 0.007 0.000 0.245 174 D C -1.001 175.384 176.300 0.141 0.000 1.115 174 D CA -0.093 54.022 54.000 0.192 0.000 0.917 174 D CB 0.347 41.218 40.800 0.117 0.000 1.192 174 D HN 0.421 nan 8.370 nan 0.000 0.428 175 Y N 0.648 120.799 120.300 -0.250 0.000 2.354 175 Y HA 0.398 4.953 4.550 0.009 0.000 0.330 175 Y C -1.896 173.745 175.900 -0.431 0.000 1.011 175 Y CA -1.278 56.725 58.100 -0.161 0.000 1.099 175 Y CB 1.039 39.467 38.460 -0.053 0.000 1.179 175 Y HN 0.336 nan 8.280 nan 0.000 0.442 176 Y N 5.144 125.258 120.300 -0.310 0.000 2.429 176 Y HA 0.301 4.855 4.550 0.008 0.000 0.342 176 Y C -0.081 175.547 175.900 -0.452 0.000 1.004 176 Y CA -0.877 56.994 58.100 -0.383 0.000 1.075 176 Y CB 0.955 39.342 38.460 -0.123 0.000 1.214 176 Y HN 0.578 nan 8.280 nan 0.000 0.455 177 Y N -0.295 119.908 120.300 -0.161 0.000 2.395 177 Y HA 0.069 4.623 4.550 0.006 0.000 0.293 177 Y C 1.091 176.954 175.900 -0.061 0.000 1.123 177 Y CA 0.189 58.192 58.100 -0.162 0.000 1.227 177 Y CB -0.098 38.300 38.460 -0.105 0.000 1.012 177 Y HN 0.275 nan 8.280 nan 0.000 0.552 178 R N 0.914 121.470 120.500 0.092 0.000 2.539 178 R HA 0.447 4.792 4.340 0.007 0.000 0.275 178 R C 0.304 176.622 176.300 0.030 0.000 1.077 178 R CA -0.152 55.965 56.100 0.029 0.000 1.097 178 R CB 0.599 30.862 30.300 -0.062 0.000 1.018 178 R HN 0.116 nan 8.270 nan 0.000 0.483 179 A N 1.584 124.419 122.820 0.025 0.000 2.406 179 A HA 0.352 4.677 4.320 0.007 0.000 0.243 179 A C 1.343 178.943 177.584 0.027 0.000 1.082 179 A CA 0.456 52.516 52.037 0.039 0.000 0.786 179 A CB 0.262 19.284 19.000 0.037 0.000 1.029 179 A HN 0.848 nan 8.150 nan 0.000 0.495 180 A N 0.426 123.287 122.820 0.069 0.000 1.908 180 A HA -0.179 4.145 4.320 0.007 0.000 0.218 180 A C 1.603 179.254 177.584 0.112 0.000 1.181 180 A CA 2.086 54.194 52.037 0.118 0.000 0.627 180 A CB -0.614 18.461 19.000 0.125 0.000 0.818 180 A HN 0.848 nan 8.150 nan 0.000 0.445 181 D N -0.191 120.262 120.400 0.089 0.000 2.178 181 D HA -0.115 4.530 4.640 0.007 0.000 0.202 181 D C 1.025 177.361 176.300 0.059 0.000 0.974 181 D CA 1.303 55.353 54.000 0.084 0.000 0.841 181 D CB -0.277 40.556 40.800 0.055 0.000 0.953 181 D HN 0.401 nan 8.370 nan 0.000 0.478 182 D N 0.499 120.911 120.400 0.020 0.000 2.183 182 D HA -0.037 4.608 4.640 0.007 0.000 0.203 182 D C 2.321 178.625 176.300 0.006 0.000 0.969 182 D CA 0.278 54.294 54.000 0.027 0.000 0.842 182 D CB -0.030 40.763 40.800 -0.013 0.000 0.957 182 D HN 0.246 nan 8.370 nan 0.000 0.484 183 L N 0.162 121.307 121.223 -0.130 0.000 2.240 183 L HA -0.062 4.283 4.340 0.007 0.000 0.211 183 L C 2.416 179.035 176.870 -0.418 0.000 1.106 183 L CA 0.231 54.832 54.840 -0.398 0.000 0.793 183 L CB 0.015 41.619 42.059 -0.759 0.000 0.927 183 L HN -0.101 nan 8.230 nan 0.000 0.446 184 V N -0.648 119.197 119.914 -0.114 0.000 2.307 184 V HA -0.309 3.816 4.120 0.007 0.000 0.245 184 V C 2.462 178.600 176.094 0.073 0.000 1.045 184 V CA 1.985 64.321 62.300 0.059 0.000 1.024 184 V CB -0.569 31.367 31.823 0.187 0.000 0.651 184 V HN 0.495 nan 8.190 nan 0.000 0.449 185 H N -0.500 118.582 119.070 0.019 0.000 2.353 185 H HA -0.226 4.336 4.556 0.009 0.000 0.300 185 H C 1.924 177.281 175.328 0.049 0.000 1.090 185 H CA 2.283 58.356 56.048 0.043 0.000 1.327 185 H CB -0.329 29.461 29.762 0.046 0.000 1.383 185 H HN 0.377 nan 8.280 nan 0.000 0.508 186 F N 1.042 120.880 119.950 -0.186 0.000 2.113 186 F HA -0.157 4.373 4.527 0.005 0.000 0.297 186 F C 2.603 178.264 175.800 -0.232 0.000 1.103 186 F CA 2.125 59.983 58.000 -0.238 0.000 1.248 186 F CB -0.897 37.966 39.000 -0.228 0.000 0.999 186 F HN 0.329 nan 8.300 nan 0.000 0.475 187 T N -2.086 112.317 114.554 -0.252 0.000 3.072 187 T HA -0.132 4.222 4.350 0.007 0.000 0.266 187 T C 1.678 176.315 174.700 -0.104 0.000 1.127 187 T CA 1.094 63.013 62.100 -0.303 0.000 1.107 187 T CB -0.468 68.194 68.868 -0.344 0.000 0.910 187 T HN 0.473 nan 8.240 nan 0.000 0.513 188 Q N 0.691 120.464 119.800 -0.044 0.000 2.230 188 Q HA 0.068 4.413 4.340 0.007 0.000 0.202 188 Q C 1.522 177.607 176.000 0.141 0.000 0.963 188 Q CA 0.865 56.717 55.803 0.081 0.000 0.866 188 Q CB 0.096 28.848 28.738 0.023 0.000 0.931 188 Q HN 0.565 nan 8.270 nan 0.000 0.452 189 N N -0.540 118.157 118.700 -0.005 0.000 2.166 189 N HA 0.127 4.872 4.740 0.007 0.000 0.213 189 N C -0.479 175.054 175.510 0.038 0.000 1.222 189 N CA 0.135 53.195 53.050 0.016 0.000 0.900 189 N CB 0.846 39.249 38.487 -0.141 0.000 1.055 189 N HN 0.133 nan 8.380 nan 0.000 0.515 190 N N 0.201 118.764 118.700 -0.229 0.000 2.405 190 N HA 0.404 5.148 4.740 0.007 0.000 0.285 190 N C -0.884 174.304 175.510 -0.537 0.000 1.262 190 N CA -0.456 52.330 53.050 -0.439 0.000 0.773 190 N CB 2.362 40.132 38.487 -1.196 0.000 1.490 190 N HN -0.099 nan 8.380 nan 0.000 0.486 191 A N 1.626 124.228 122.820 -0.362 0.000 2.462 191 A HA 0.308 4.632 4.320 0.007 0.000 0.243 191 A C -1.991 175.505 177.584 -0.146 0.000 1.076 191 A CA -0.792 51.072 52.037 -0.289 0.000 0.773 191 A CB -0.536 18.405 19.000 -0.099 0.000 1.010 191 A HN 0.399 nan 8.150 nan 0.000 0.493 192 P HA 0.144 nan 4.420 nan 0.000 0.265 192 P C -2.416 174.998 177.300 0.190 0.000 1.193 192 P CA -0.470 62.666 63.100 0.061 0.000 0.765 192 P CB -0.104 31.736 31.700 0.234 0.000 0.823 193 P HA 0.267 nan 4.420 nan 0.000 0.276 193 P C -0.354 177.204 177.300 0.429 0.000 1.261 193 P CA -0.391 62.861 63.100 0.254 0.000 0.800 193 P CB 0.573 32.358 31.700 0.141 0.000 1.066 194 F N 0.305 120.296 119.950 0.068 0.000 2.410 194 F HA 0.131 4.662 4.527 0.007 0.000 0.334 194 F C 1.543 177.318 175.800 -0.042 0.000 1.134 194 F CA -0.748 57.239 58.000 -0.021 0.000 1.227 194 F CB 0.260 39.195 39.000 -0.108 0.000 1.194 194 F HN 0.262 nan 8.300 nan 0.000 0.571 195 S N 1.168 116.812 115.700 -0.094 0.000 2.585 195 S HA 0.102 4.577 4.470 0.007 0.000 0.273 195 S C 0.649 175.040 174.600 -0.348 0.000 1.339 195 S CA -0.728 57.148 58.200 -0.539 0.000 1.028 195 S CB 0.862 63.724 63.200 -0.564 0.000 0.906 195 S HN 0.558 nan 8.310 nan 0.000 0.528 196 D N 0.882 120.968 120.400 -0.522 0.000 2.183 196 D HA 0.054 4.698 4.640 0.007 0.000 0.203 196 D C 0.456 176.610 176.300 -0.244 0.000 0.969 196 D CA 1.109 54.820 54.000 -0.481 0.000 0.842 196 D CB -0.107 39.988 40.800 -1.175 0.000 0.957 196 D HN 0.523 nan 8.370 nan 0.000 0.484 197 N N -1.212 117.390 118.700 -0.164 0.000 3.116 197 N HA 0.184 4.929 4.740 0.007 0.000 0.244 197 N C -1.956 173.569 175.510 0.026 0.000 1.485 197 N CA -0.477 52.579 53.050 0.010 0.000 0.884 197 N CB 2.055 40.630 38.487 0.147 0.000 1.415 197 N HN -0.350 nan 8.380 nan 0.000 0.524 198 V N 2.082 122.004 119.914 0.013 0.000 2.409 198 V HA 0.471 4.595 4.120 0.007 0.000 0.290 198 V C -0.239 175.779 176.094 -0.126 0.000 1.017 198 V CA -0.642 61.637 62.300 -0.034 0.000 0.841 198 V CB 1.348 33.115 31.823 -0.093 0.000 1.003 198 V HN 0.438 nan 8.190 nan 0.000 0.426 199 L N 6.000 127.133 121.223 -0.151 0.000 2.305 199 L HA 0.575 4.920 4.340 0.007 0.000 0.281 199 L C -0.464 176.239 176.870 -0.278 0.000 1.085 199 L CA -0.222 54.487 54.840 -0.219 0.000 0.813 199 L CB 1.118 43.023 42.059 -0.256 0.000 1.157 199 L HN 0.467 nan 8.230 nan 0.000 0.436 200 I N 3.762 124.154 120.570 -0.297 0.000 2.382 200 I HA 0.221 4.395 4.170 0.007 0.000 0.286 200 I C 0.183 176.027 176.117 -0.455 0.000 1.002 200 I CA -0.469 60.548 61.300 -0.472 0.000 1.135 200 I CB 1.306 39.042 38.000 -0.441 0.000 1.288 200 I HN 0.702 nan 8.210 nan 0.000 0.448 201 N N 5.137 123.529 118.700 -0.513 0.000 2.740 201 N HA -0.198 4.546 4.740 0.007 0.000 0.248 201 N C 0.794 176.202 175.510 -0.171 0.000 1.062 201 N CA 1.323 54.191 53.050 -0.304 0.000 0.704 201 N CB -0.759 37.610 38.487 -0.197 0.000 0.968 201 N HN 1.131 nan 8.380 nan 0.000 0.547 202 G N -2.593 106.100 108.800 -0.179 0.000 2.179 202 G HA2 -0.241 3.723 3.960 0.007 0.000 0.260 202 G HA3 -0.241 3.723 3.960 0.007 0.000 0.260 202 G C 0.237 175.050 174.900 -0.144 0.000 0.977 202 G CA 1.099 46.122 45.100 -0.129 0.000 0.641 202 G HN 1.111 nan 8.290 nan 0.000 0.533 203 T N -1.067 113.391 114.554 -0.161 0.000 2.883 203 T HA 0.927 5.281 4.350 0.007 0.000 0.301 203 T C -0.656 173.955 174.700 -0.147 0.000 1.158 203 T CA 0.814 62.824 62.100 -0.150 0.000 1.007 203 T CB 1.597 70.406 68.868 -0.098 0.000 1.186 203 T HN 1.969 nan 8.240 nan 0.000 0.499 204 A N 1.709 124.437 122.820 -0.153 0.000 2.586 204 A HA 0.683 5.008 4.320 0.007 0.000 0.291 204 A C -1.547 175.921 177.584 -0.193 0.000 1.062 204 A CA -0.578 51.372 52.037 -0.144 0.000 0.666 204 A CB 1.031 19.963 19.000 -0.114 0.000 1.281 204 A HN 0.787 nan 8.150 nan 0.000 0.421 205 V N 2.191 121.935 119.914 -0.284 0.000 2.481 205 V HA 0.300 4.424 4.120 0.007 0.000 0.286 205 V C 0.545 176.564 176.094 -0.126 0.000 1.042 205 V CA -0.868 61.248 62.300 -0.306 0.000 0.928 205 V CB 1.618 33.074 31.823 -0.611 0.000 0.986 205 V HN 0.825 nan 8.190 nan 0.000 0.462 206 N N 6.695 125.355 118.700 -0.067 0.000 2.452 206 N HA 0.121 4.865 4.740 0.007 0.000 0.266 206 N C -1.383 174.132 175.510 0.010 0.000 1.175 206 N CA -1.265 51.792 53.050 0.012 0.000 0.945 206 N CB 1.831 40.329 38.487 0.018 0.000 1.063 206 N HN 0.400 nan 8.380 nan 0.000 0.472 207 P HA -0.067 nan 4.420 nan 0.000 0.225 207 P C -0.055 177.270 177.300 0.041 0.000 1.148 207 P CA 1.247 64.370 63.100 0.039 0.000 0.779 207 P CB 0.563 32.289 31.700 0.043 0.000 0.780 208 N N -0.603 118.122 118.700 0.042 0.000 2.508 208 N HA -0.044 4.700 4.740 0.007 0.000 0.186 208 N C 1.775 177.298 175.510 0.022 0.000 1.034 208 N CA 1.364 54.435 53.050 0.035 0.000 0.885 208 N CB -0.471 38.040 38.487 0.041 0.000 1.135 208 N HN 0.140 nan 8.380 nan 0.000 0.435 209 T N -3.290 111.272 114.554 0.013 0.000 3.051 209 T HA 0.296 4.651 4.350 0.007 0.000 0.255 209 T C 1.628 176.325 174.700 -0.004 0.000 1.085 209 T CA 0.648 62.748 62.100 0.000 0.000 1.109 209 T CB 0.264 69.124 68.868 -0.013 0.000 0.921 209 T HN 0.286 nan 8.240 nan 0.000 0.488 210 G N 1.239 110.034 108.800 -0.009 0.000 2.176 210 G HA2 -0.222 3.742 3.960 0.007 0.000 0.253 210 G HA3 -0.222 3.742 3.960 0.007 0.000 0.253 210 G C -0.180 174.692 174.900 -0.047 0.000 0.979 210 G CA 0.106 45.195 45.100 -0.019 0.000 0.641 210 G HN 0.661 nan 8.290 nan 0.000 0.530 211 E N 0.097 120.267 120.200 -0.050 0.000 2.374 211 E HA 0.494 4.848 4.350 0.007 0.000 0.260 211 E C 0.956 177.499 176.600 -0.095 0.000 1.101 211 E CA 0.525 56.886 56.400 -0.065 0.000 0.907 211 E CB 0.909 30.574 29.700 -0.060 0.000 1.014 211 E HN 1.502 nan 8.360 nan 0.000 0.427 212 G N 0.786 109.525 108.800 -0.102 0.000 2.610 212 G HA2 -0.115 3.849 3.960 0.007 0.000 0.304 212 G HA3 -0.115 3.849 3.960 0.007 0.000 0.304 212 G C -1.140 173.672 174.900 -0.147 0.000 1.309 212 G CA -0.551 44.474 45.100 -0.126 0.000 0.906 212 G HN 0.484 nan 8.290 nan 0.000 0.521 213 Q N -1.716 117.989 119.800 -0.158 0.000 2.416 213 Q HA 0.708 5.053 4.340 0.007 0.000 0.281 213 Q C -1.204 174.724 176.000 -0.120 0.000 1.067 213 Q CA -0.787 54.938 55.803 -0.129 0.000 0.809 213 Q CB 1.335 30.049 28.738 -0.041 0.000 1.418 213 Q HN 0.673 nan 8.270 nan 0.000 0.411 214 Y N 0.585 120.918 120.300 0.054 0.000 2.326 214 Y HA 0.567 5.122 4.550 0.008 0.000 0.333 214 Y C 0.581 176.515 175.900 0.057 0.000 1.240 214 Y CA -0.047 58.107 58.100 0.090 0.000 1.365 214 Y CB 1.018 39.595 38.460 0.195 0.000 1.289 214 Y HN 0.660 nan 8.280 nan 0.000 0.548 215 A N 2.764 125.723 122.820 0.232 0.000 2.488 215 A HA 0.178 4.503 4.320 0.007 0.000 0.249 215 A C -0.110 177.568 177.584 0.156 0.000 1.083 215 A CA -0.335 51.785 52.037 0.139 0.000 0.768 215 A CB -0.289 18.766 19.000 0.092 0.000 1.017 215 A HN 0.705 nan 8.150 nan 0.000 0.496 216 N N 2.380 121.116 118.700 0.060 0.000 2.518 216 N HA 0.429 5.174 4.740 0.007 0.000 0.254 216 N C -1.349 174.074 175.510 -0.146 0.000 0.979 216 N CA -0.254 52.785 53.050 -0.018 0.000 0.930 216 N CB 1.314 39.793 38.487 -0.014 0.000 1.152 216 N HN 0.253 nan 8.380 nan 0.000 0.505 217 V N 2.688 122.390 119.914 -0.355 0.000 2.394 217 V HA 0.404 4.528 4.120 0.007 0.000 0.282 217 V C 0.310 176.124 176.094 -0.467 0.000 1.031 217 V CA -0.574 61.353 62.300 -0.621 0.000 0.881 217 V CB 1.415 32.360 31.823 -1.464 0.000 0.982 217 V HN 0.543 nan 8.190 nan 0.000 0.451 218 T N 7.084 121.460 114.554 -0.297 0.000 2.733 218 T HA 0.540 4.894 4.350 0.007 0.000 0.294 218 T C -0.144 174.393 174.700 -0.272 0.000 0.956 218 T CA -0.159 61.841 62.100 -0.167 0.000 0.987 218 T CB 0.269 69.123 68.868 -0.023 0.000 0.920 218 T HN 0.337 nan 8.240 nan 0.000 0.470 219 L N 3.189 124.192 121.223 -0.368 0.000 2.325 219 L HA 0.417 4.761 4.340 0.007 0.000 0.279 219 L C 0.638 177.355 176.870 -0.255 0.000 1.054 219 L CA -0.788 53.724 54.840 -0.547 0.000 0.804 219 L CB 1.152 42.706 42.059 -0.843 0.000 1.200 219 L HN 0.527 nan 8.230 nan 0.000 0.436 220 T N 3.299 117.919 114.554 0.110 0.000 2.728 220 T HA 0.255 4.610 4.350 0.007 0.000 0.296 220 T C -2.393 172.332 174.700 0.042 0.000 0.940 220 T CA -1.258 60.884 62.100 0.070 0.000 1.013 220 T CB 0.985 69.903 68.868 0.083 0.000 0.912 220 T HN 0.292 nan 8.240 nan 0.000 0.484 221 P HA 0.136 nan 4.420 nan 0.000 0.260 221 P C 1.122 178.478 177.300 0.093 0.000 1.172 221 P CA 1.087 64.249 63.100 0.104 0.000 0.760 221 P CB 0.177 31.983 31.700 0.177 0.000 0.773 222 G N 1.874 110.743 108.800 0.115 0.000 2.225 222 G HA2 -0.216 3.749 3.960 0.007 0.000 0.254 222 G HA3 -0.216 3.749 3.960 0.007 0.000 0.254 222 G C 0.199 175.125 174.900 0.042 0.000 0.988 222 G CA -0.127 45.020 45.100 0.080 0.000 0.625 222 G HN 0.471 nan 8.290 nan 0.000 0.527 223 K N 0.510 120.921 120.400 0.019 0.000 2.087 223 K HA 0.557 4.882 4.320 0.007 0.000 0.255 223 K C 0.510 177.038 176.600 -0.122 0.000 0.988 223 K CA -0.634 55.585 56.287 -0.113 0.000 0.915 223 K CB 0.881 33.212 32.500 -0.282 0.000 1.043 223 K HN 0.369 nan 8.250 nan 0.000 0.457 224 R N 1.942 122.362 120.500 -0.134 0.000 2.207 224 R HA 0.244 4.588 4.340 0.007 0.000 0.334 224 R C -0.596 175.649 176.300 -0.091 0.000 1.013 224 R CA -0.510 55.587 56.100 -0.004 0.000 0.858 224 R CB 0.326 30.665 30.300 0.065 0.000 1.094 224 R HN 0.478 nan 8.270 nan 0.000 0.457 225 H N 1.047 120.125 119.070 0.013 0.000 2.459 225 H HA 0.265 4.826 4.556 0.007 0.000 0.332 225 H C -0.311 174.943 175.328 -0.124 0.000 1.094 225 H CA -0.799 55.226 56.048 -0.038 0.000 1.224 225 H CB 1.258 30.973 29.762 -0.078 0.000 1.449 225 H HN 0.244 nan 8.280 nan 0.000 0.484 226 R N 3.116 123.522 120.500 -0.156 0.000 2.221 226 R HA 0.346 4.691 4.340 0.007 0.000 0.327 226 R C -1.297 174.887 176.300 -0.194 0.000 1.033 226 R CA -0.858 55.026 56.100 -0.360 0.000 0.887 226 R CB 0.324 30.089 30.300 -0.892 0.000 1.057 226 R HN 0.487 nan 8.270 nan 0.000 0.455 227 L N 5.056 126.193 121.223 -0.143 0.000 2.349 227 L HA 0.436 4.780 4.340 0.007 0.000 0.278 227 L C -0.752 176.076 176.870 -0.070 0.000 0.996 227 L CA -0.388 54.374 54.840 -0.130 0.000 0.825 227 L CB 1.491 43.468 42.059 -0.137 0.000 1.243 227 L HN 0.595 nan 8.230 nan 0.000 0.412 228 R N 6.574 127.045 120.500 -0.049 0.000 2.391 228 R HA 0.462 4.806 4.340 0.007 0.000 0.310 228 R C -0.772 175.555 176.300 0.046 0.000 1.174 228 R CA -0.295 55.798 56.100 -0.011 0.000 1.118 228 R CB 0.063 30.346 30.300 -0.029 0.000 1.134 228 R HN 0.579 nan 8.270 nan 0.000 0.524 229 I N 4.346 124.965 120.570 0.082 0.000 2.441 229 I HA 0.158 4.332 4.170 0.007 0.000 0.287 229 I C -0.263 175.840 176.117 -0.023 0.000 1.049 229 I CA -0.384 60.986 61.300 0.117 0.000 1.381 229 I CB 0.534 38.661 38.000 0.213 0.000 1.409 229 I HN 0.247 nan 8.210 nan 0.000 0.523 230 L N 5.991 127.143 121.223 -0.119 0.000 2.388 230 L HA 0.462 4.806 4.340 0.007 0.000 0.264 230 L C -0.237 176.422 176.870 -0.351 0.000 0.998 230 L CA -0.524 54.130 54.840 -0.310 0.000 0.817 230 L CB 1.495 43.300 42.059 -0.423 0.000 1.338 230 L HN 0.435 nan 8.230 nan 0.000 0.414 231 N N 0.091 118.488 118.700 -0.504 0.000 2.626 231 N HA 0.234 4.979 4.740 0.007 0.000 0.242 231 N C 0.167 175.174 175.510 -0.838 0.000 1.005 231 N CA -0.235 52.554 53.050 -0.436 0.000 0.905 231 N CB 1.114 39.366 38.487 -0.392 0.000 1.128 231 N HN 0.735 nan 8.380 nan 0.000 0.512 232 T N -0.928 113.170 114.554 -0.760 0.000 3.206 232 T HA 0.237 4.591 4.350 0.007 0.000 0.253 232 T C 0.558 175.034 174.700 -0.372 0.000 1.042 232 T CA -0.373 61.092 62.100 -1.058 0.000 0.931 232 T CB -0.260 68.161 68.868 -0.746 0.000 1.029 232 T HN 0.156 nan 8.240 nan 0.000 0.564 233 S N 2.180 117.730 115.700 -0.251 0.000 2.587 233 S HA 0.237 4.711 4.470 0.007 0.000 0.260 233 S C 1.726 176.344 174.600 0.029 0.000 1.353 233 S CA 0.113 58.275 58.200 -0.063 0.000 0.995 233 S CB 0.899 63.974 63.200 -0.209 0.000 0.912 233 S HN 0.724 nan 8.310 nan 0.000 0.568 234 T N -1.790 112.711 114.554 -0.087 0.000 3.040 234 T HA 0.217 4.572 4.350 0.007 0.000 0.252 234 T C 1.059 175.442 174.700 -0.529 0.000 1.064 234 T CA 0.185 62.030 62.100 -0.426 0.000 1.110 234 T CB 0.130 68.535 68.868 -0.771 0.000 0.921 234 T HN 0.588 nan 8.240 nan 0.000 0.480 235 E N 0.670 120.711 120.200 -0.266 0.000 3.001 235 E HA 0.123 4.477 4.350 0.007 0.000 0.211 235 E C -0.565 176.022 176.600 -0.021 0.000 1.026 235 E CA -0.096 56.197 56.400 -0.179 0.000 1.614 235 E CB 0.021 29.711 29.700 -0.017 0.000 1.672 235 E HN 0.191 nan 8.360 nan 0.000 0.869 236 N N 1.866 120.535 118.700 -0.051 0.000 2.412 236 N HA 0.019 4.763 4.740 0.007 0.000 0.258 236 N C -0.905 174.258 175.510 -0.579 0.000 1.236 236 N CA 0.628 53.576 53.050 -0.171 0.000 0.882 236 N CB 0.086 38.468 38.487 -0.175 0.000 1.066 236 N HN 0.176 nan 8.380 nan 0.000 0.465 237 H N 1.748 120.534 119.070 -0.473 0.000 2.476 237 H HA 0.421 4.981 4.556 0.007 0.000 0.328 237 H C -0.468 174.502 175.328 -0.597 0.000 1.073 237 H CA -0.393 55.309 56.048 -0.576 0.000 1.229 237 H CB 0.353 30.048 29.762 -0.112 0.000 1.432 237 H HN 0.322 nan 8.280 nan 0.000 0.477 238 F N 0.783 120.493 119.950 -0.400 0.000 2.483 238 F HA 0.443 4.974 4.527 0.007 0.000 0.329 238 F C 0.302 175.812 175.800 -0.483 0.000 1.064 238 F CA -0.904 56.803 58.000 -0.489 0.000 0.986 238 F CB 1.205 39.941 39.000 -0.440 0.000 1.218 238 F HN 0.352 nan 8.300 nan 0.000 0.484 239 Q N 1.728 121.432 119.800 -0.159 0.000 2.333 239 Q HA 0.625 4.969 4.340 0.007 0.000 0.268 239 Q C -1.158 174.690 176.000 -0.254 0.000 1.007 239 Q CA -0.996 54.703 55.803 -0.173 0.000 0.810 239 Q CB 2.765 31.479 28.738 -0.041 0.000 1.264 239 Q HN 0.587 nan 8.270 nan 0.000 0.452 240 V N -0.483 119.256 119.914 -0.293 0.000 2.628 240 V HA 0.954 5.078 4.120 0.007 0.000 0.306 240 V C -0.487 175.323 176.094 -0.474 0.000 1.045 240 V CA -0.534 61.489 62.300 -0.462 0.000 0.905 240 V CB 1.738 33.314 31.823 -0.412 0.000 0.997 240 V HN 0.821 nan 8.190 nan 0.000 0.436 241 S N 4.148 119.449 115.700 -0.666 0.000 2.537 241 S HA 0.760 5.234 4.470 0.007 0.000 0.271 241 S C -1.438 172.834 174.600 -0.546 0.000 1.148 241 S CA -0.745 57.180 58.200 -0.459 0.000 0.868 241 S CB 1.702 64.760 63.200 -0.237 0.000 1.115 241 S HN 1.537 nan 8.310 nan 0.000 0.461 242 L N 2.649 123.664 121.223 -0.345 0.000 2.325 242 L HA 0.629 4.973 4.340 0.007 0.000 0.281 242 L C -0.684 176.138 176.870 -0.081 0.000 1.004 242 L CA -0.684 53.998 54.840 -0.264 0.000 0.823 242 L CB 1.520 43.341 42.059 -0.398 0.000 1.236 242 L HN 0.727 nan 8.230 nan 0.000 0.415 243 V N 6.740 126.678 119.914 0.041 0.000 2.584 243 V HA 0.009 4.133 4.120 0.007 0.000 0.303 243 V C 1.528 177.699 176.094 0.129 0.000 1.035 243 V CA 0.947 63.328 62.300 0.136 0.000 1.172 243 V CB -0.096 31.894 31.823 0.279 0.000 0.896 243 V HN 1.078 nan 8.190 nan 0.000 0.486 244 N N 1.448 120.174 118.700 0.043 0.000 2.936 244 N HA -0.185 4.560 4.740 0.007 0.000 0.236 244 N C -0.004 175.362 175.510 -0.240 0.000 0.930 244 N CA 1.174 54.166 53.050 -0.097 0.000 0.966 244 N CB -0.431 37.969 38.487 -0.144 0.000 1.090 244 N HN 0.913 nan 8.380 nan 0.000 0.592 245 H N -0.613 118.335 119.070 -0.203 0.000 2.771 245 H HA 0.509 5.070 4.556 0.007 0.000 0.367 245 H C 0.251 175.507 175.328 -0.119 0.000 1.172 245 H CA 0.380 56.328 56.048 -0.167 0.000 1.186 245 H CB 1.681 31.329 29.762 -0.190 0.000 1.790 245 H HN 0.130 nan 8.280 nan 0.000 0.556 246 T N -0.875 113.711 114.554 0.054 0.000 2.950 246 T HA 0.701 5.055 4.350 0.007 0.000 0.288 246 T C -0.142 174.561 174.700 0.005 0.000 1.035 246 T CA -1.055 61.048 62.100 0.004 0.000 1.028 246 T CB 1.135 69.999 68.868 -0.006 0.000 1.109 246 T HN 0.388 nan 8.240 nan 0.000 0.514 247 M N 1.556 121.142 119.600 -0.023 0.000 2.326 247 M HA 0.367 4.851 4.480 0.007 0.000 0.306 247 M C -0.941 175.343 176.300 -0.025 0.000 1.054 247 M CA -0.635 54.649 55.300 -0.028 0.000 0.922 247 M CB 2.691 35.258 32.600 -0.054 0.000 1.632 247 M HN 0.668 nan 8.290 nan 0.000 0.436 248 T N 2.725 117.275 114.554 -0.007 0.000 2.801 248 T HA 0.380 4.734 4.350 0.007 0.000 0.306 248 T C 0.016 174.717 174.700 0.002 0.000 1.020 248 T CA -0.545 61.555 62.100 0.001 0.000 0.948 248 T CB 0.578 69.460 68.868 0.022 0.000 0.962 248 T HN 0.377 nan 8.240 nan 0.000 0.465 249 V N 5.695 125.604 119.914 -0.008 0.000 2.529 249 V HA 0.146 4.270 4.120 0.007 0.000 0.292 249 V C 1.387 177.513 176.094 0.052 0.000 1.028 249 V CA 0.212 62.525 62.300 0.020 0.000 1.074 249 V CB 0.035 31.858 31.823 0.001 0.000 0.958 249 V HN 0.923 nan 8.190 nan 0.000 0.481 250 I N 1.730 122.336 120.570 0.060 0.000 4.288 250 I HA 0.759 4.933 4.170 0.007 0.000 0.331 250 I C 0.600 176.748 176.117 0.051 0.000 1.322 250 I CA 0.071 61.406 61.300 0.059 0.000 1.149 250 I CB 0.568 38.601 38.000 0.055 0.000 1.112 250 I HN 0.525 nan 8.210 nan 0.000 0.403 251 A N 1.508 124.367 122.820 0.064 0.000 2.540 251 A HA 0.854 5.178 4.320 0.007 0.000 0.297 251 A C -1.132 176.489 177.584 0.062 0.000 1.056 251 A CA -0.145 51.903 52.037 0.019 0.000 0.700 251 A CB 1.303 20.267 19.000 -0.061 0.000 1.280 251 A HN 0.345 nan 8.150 nan 0.000 0.398 252 A N 2.766 125.576 122.820 -0.016 0.000 2.285 252 A HA 0.716 5.040 4.320 0.007 0.000 0.310 252 A C 0.257 177.704 177.584 -0.228 0.000 1.266 252 A CA 0.195 52.134 52.037 -0.163 0.000 0.832 252 A CB -0.017 18.980 19.000 -0.006 0.000 1.163 252 A HN 1.134 nan 8.150 nan 0.000 0.499 253 D N 0.753 120.956 120.400 -0.328 0.000 3.955 253 D HA -0.252 4.392 4.640 0.007 0.000 0.142 253 D C 0.637 176.822 176.300 -0.191 0.000 0.877 253 D CA 2.011 55.876 54.000 -0.226 0.000 1.100 253 D CB -0.631 40.074 40.800 -0.158 0.000 0.533 253 D HN 0.612 nan 8.370 nan 0.000 0.546 254 M N 0.753 120.239 119.600 -0.190 0.000 2.655 254 M HA 0.283 4.768 4.480 0.007 0.000 0.311 254 M C -0.856 175.199 176.300 -0.410 0.000 1.229 254 M CA 0.073 55.201 55.300 -0.287 0.000 0.972 254 M CB 0.618 33.047 32.600 -0.286 0.000 1.366 254 M HN 0.034 nan 8.290 nan 0.000 0.500 255 V N 1.418 121.161 119.914 -0.285 0.000 2.378 255 V HA 0.406 4.530 4.120 0.007 0.000 0.288 255 V C -2.434 173.544 176.094 -0.193 0.000 1.016 255 V CA -1.719 60.434 62.300 -0.245 0.000 0.840 255 V CB 1.414 33.211 31.823 -0.044 0.000 0.994 255 V HN 0.183 nan 8.190 nan 0.000 0.431 256 P HA 0.222 nan 4.420 nan 0.000 0.271 256 P C -0.598 176.708 177.300 0.009 0.000 1.220 256 P CA 0.179 63.218 63.100 -0.103 0.000 0.768 256 P CB 0.868 32.514 31.700 -0.090 0.000 0.848 257 V N 1.041 120.977 119.914 0.038 0.000 2.960 257 V HA 0.566 4.690 4.120 0.007 0.000 0.315 257 V C -0.115 176.022 176.094 0.071 0.000 1.087 257 V CA -1.137 61.202 62.300 0.066 0.000 0.982 257 V CB 1.945 33.817 31.823 0.082 0.000 1.039 257 V HN 0.248 nan 8.190 nan 0.000 0.437 258 N N 1.739 120.481 118.700 0.071 0.000 2.492 258 N HA 0.321 5.065 4.740 0.007 0.000 0.260 258 N C 0.435 175.981 175.510 0.061 0.000 1.215 258 N CA 0.581 53.670 53.050 0.066 0.000 0.923 258 N CB 1.232 39.755 38.487 0.059 0.000 1.092 258 N HN 1.241 nan 8.380 nan 0.000 0.448 259 A N 2.407 125.262 122.820 0.058 0.000 2.573 259 A HA -0.020 4.305 4.320 0.007 0.000 0.250 259 A C 0.431 178.038 177.584 0.039 0.000 1.049 259 A CA 0.614 52.682 52.037 0.050 0.000 0.767 259 A CB -0.372 18.658 19.000 0.050 0.000 0.965 259 A HN 0.732 nan 8.150 nan 0.000 0.514 260 M N 4.114 123.732 119.600 0.031 0.000 2.067 260 M HA 0.232 4.716 4.480 0.007 0.000 0.286 260 M C -0.781 175.518 176.300 -0.001 0.000 0.922 260 M CA -0.151 55.160 55.300 0.018 0.000 0.937 260 M CB 1.321 33.934 32.600 0.022 0.000 1.550 260 M HN 0.636 nan 8.290 nan 0.000 0.433 261 T N 4.594 119.148 114.554 0.000 0.000 2.794 261 T HA 0.516 4.870 4.350 0.007 0.000 0.296 261 T C -0.131 174.558 174.700 -0.018 0.000 0.949 261 T CA -0.483 61.612 62.100 -0.008 0.000 1.101 261 T CB 0.448 69.316 68.868 0.000 0.000 0.905 261 T HN 0.567 nan 8.240 nan 0.000 0.516 262 V N 0.505 120.401 119.914 -0.031 0.000 3.160 262 V HA 0.591 4.715 4.120 0.007 0.000 0.310 262 V C -0.137 175.937 176.094 -0.034 0.000 1.181 262 V CA -0.939 61.342 62.300 -0.032 0.000 1.047 262 V CB 2.296 34.093 31.823 -0.044 0.000 1.068 262 V HN 0.551 nan 8.190 nan 0.000 0.441 263 D N 0.980 121.366 120.400 -0.024 0.000 2.277 263 D HA 0.162 4.806 4.640 0.007 0.000 0.209 263 D C 0.879 177.156 176.300 -0.038 0.000 0.970 263 D CA 1.569 55.552 54.000 -0.029 0.000 0.874 263 D CB 0.732 41.518 40.800 -0.022 0.000 0.982 263 D HN 0.871 nan 8.370 nan 0.000 0.504 264 S N -0.626 115.075 115.700 0.001 0.000 2.579 264 S HA 0.687 5.161 4.470 0.007 0.000 0.272 264 S C -1.024 173.569 174.600 -0.011 0.000 1.141 264 S CA -0.943 57.261 58.200 0.006 0.000 0.843 264 S CB 2.180 65.463 63.200 0.138 0.000 1.122 264 S HN 0.006 nan 8.310 nan 0.000 0.468 265 L N 1.581 122.685 121.223 -0.198 0.000 2.401 265 L HA 0.637 4.981 4.340 0.007 0.000 0.266 265 L C -1.506 175.120 176.870 -0.407 0.000 0.991 265 L CA -0.762 53.884 54.840 -0.324 0.000 0.818 265 L CB 2.157 43.986 42.059 -0.383 0.000 1.321 265 L HN 0.831 nan 8.230 nan 0.000 0.413 266 F N 3.498 123.139 119.950 -0.515 0.000 2.415 266 F HA 0.598 5.129 4.527 0.007 0.000 0.348 266 F C -1.065 174.753 175.800 0.030 0.000 1.119 266 F CA -0.472 57.337 58.000 -0.319 0.000 1.069 266 F CB 0.967 39.816 39.000 -0.251 0.000 1.124 266 F HN 0.171 nan 8.300 nan 0.000 0.472 267 L N 6.727 127.531 121.223 -0.697 0.000 2.316 267 L HA 0.611 4.956 4.340 0.007 0.000 0.280 267 L C 0.136 176.481 176.870 -0.876 0.000 1.006 267 L CA -0.310 54.241 54.840 -0.481 0.000 0.836 267 L CB 1.202 43.137 42.059 -0.206 0.000 1.221 267 L HN 0.799 nan 8.230 nan 0.000 0.418 268 A N 3.113 125.566 122.820 -0.611 0.000 2.327 268 A HA 0.552 4.876 4.320 0.007 0.000 0.255 268 A C 0.097 177.307 177.584 -0.622 0.000 1.099 268 A CA -0.491 51.253 52.037 -0.489 0.000 0.801 268 A CB 0.403 19.432 19.000 0.047 0.000 1.062 268 A HN 0.376 nan 8.150 nan 0.000 0.496 269 V N 1.073 120.491 119.914 -0.826 0.000 2.493 269 V HA 0.390 4.514 4.120 0.007 0.000 0.292 269 V C 1.588 177.390 176.094 -0.487 0.000 1.016 269 V CA 1.809 63.736 62.300 -0.622 0.000 1.097 269 V CB -0.267 31.272 31.823 -0.473 0.000 0.947 269 V HN 1.907 nan 8.190 nan 0.000 0.479 270 G N 3.531 111.953 108.800 -0.631 0.000 2.217 270 G HA2 -0.219 3.745 3.960 0.007 0.000 0.246 270 G HA3 -0.219 3.745 3.960 0.007 0.000 0.246 270 G C 0.235 174.858 174.900 -0.461 0.000 0.990 270 G CA 0.117 44.855 45.100 -0.604 0.000 0.627 270 G HN 0.623 nan 8.290 nan 0.000 0.522 271 Q N 0.092 119.651 119.800 -0.402 0.000 2.354 271 Q HA 0.658 5.003 4.340 0.007 0.000 0.244 271 Q C 0.242 175.994 176.000 -0.413 0.000 0.969 271 Q CA 0.086 55.683 55.803 -0.343 0.000 0.885 271 Q CB 0.637 29.198 28.738 -0.296 0.000 1.241 271 Q HN 0.393 nan 8.270 nan 0.000 0.461 272 R N 0.849 121.096 120.500 -0.421 0.000 2.795 272 R HA 0.538 4.882 4.340 0.007 0.000 0.275 272 R C -1.676 174.345 176.300 -0.466 0.000 0.981 272 R CA -0.546 55.346 56.100 -0.348 0.000 0.917 272 R CB 1.355 31.505 30.300 -0.251 0.000 1.202 272 R HN 0.469 nan 8.270 nan 0.000 0.469 273 Y N 0.061 120.312 120.300 -0.082 0.000 2.361 273 Y HA 0.294 4.848 4.550 0.007 0.000 0.328 273 Y C -0.974 174.896 175.900 -0.049 0.000 1.044 273 Y CA -1.104 56.965 58.100 -0.053 0.000 1.085 273 Y CB 2.038 40.477 38.460 -0.035 0.000 1.194 273 Y HN 0.474 nan 8.280 nan 0.000 0.438 274 D N 3.393 123.860 120.400 0.110 0.000 2.317 274 D HA 0.468 5.112 4.640 0.007 0.000 0.234 274 D C -0.482 175.835 176.300 0.029 0.000 1.112 274 D CA -0.035 53.978 54.000 0.021 0.000 0.840 274 D CB 1.406 42.185 40.800 -0.036 0.000 1.078 274 D HN 0.301 nan 8.370 nan 0.000 0.486 275 V N -0.150 119.764 119.914 -0.001 0.000 2.815 275 V HA 0.700 4.825 4.120 0.007 0.000 0.314 275 V C -0.249 175.814 176.094 -0.051 0.000 1.064 275 V CA -0.892 61.402 62.300 -0.011 0.000 0.952 275 V CB 2.095 33.920 31.823 0.005 0.000 1.020 275 V HN 0.145 nan 8.190 nan 0.000 0.439 276 V N 4.500 124.399 119.914 -0.025 0.000 2.334 276 V HA 0.496 4.621 4.120 0.007 0.000 0.281 276 V C -0.148 175.964 176.094 0.031 0.000 1.016 276 V CA -0.198 62.096 62.300 -0.009 0.000 0.832 276 V CB 1.112 32.953 31.823 0.029 0.000 0.999 276 V HN 0.768 nan 8.190 nan 0.000 0.439 277 I N 4.310 124.912 120.570 0.054 0.000 2.339 277 I HA 0.385 4.560 4.170 0.007 0.000 0.290 277 I C -0.546 175.662 176.117 0.151 0.000 0.994 277 I CA -0.524 60.818 61.300 0.069 0.000 1.191 277 I CB 1.597 39.599 38.000 0.004 0.000 1.343 277 I HN 0.480 nan 8.210 nan 0.000 0.458 278 D N 6.120 126.607 120.400 0.146 0.000 2.295 278 D HA 0.260 4.904 4.640 0.007 0.000 0.248 278 D C 0.294 176.715 176.300 0.202 0.000 1.154 278 D CA -0.160 53.937 54.000 0.161 0.000 0.857 278 D CB 1.946 42.809 40.800 0.105 0.000 1.117 278 D HN 0.552 nan 8.370 nan 0.000 0.468 279 A N 1.844 124.777 122.820 0.188 0.000 3.077 279 A HA 0.187 4.511 4.320 0.007 0.000 0.255 279 A C 1.150 178.892 177.584 0.262 0.000 1.728 279 A CA -0.354 51.757 52.037 0.124 0.000 1.383 279 A CB -0.520 18.384 19.000 -0.160 0.000 1.097 279 A HN 0.397 nan 8.150 nan 0.000 0.634 280 S N -0.381 115.448 115.700 0.214 0.000 2.556 280 S HA 0.199 4.674 4.470 0.007 0.000 0.216 280 S C 0.815 175.451 174.600 0.060 0.000 0.970 280 S CA -0.471 57.802 58.200 0.122 0.000 0.912 280 S CB 0.326 63.557 63.200 0.052 0.000 0.790 280 S HN 0.530 nan 8.310 nan 0.000 0.504 281 R N 1.626 122.159 120.500 0.056 0.000 2.606 281 R HA 0.713 5.058 4.340 0.007 0.000 0.249 281 R C 0.251 176.474 176.300 -0.128 0.000 1.127 281 R CA -0.375 55.642 56.100 -0.138 0.000 1.133 281 R CB -0.288 29.721 30.300 -0.484 0.000 1.243 281 R HN 0.264 nan 8.270 nan 0.000 0.558 282 A N 2.011 124.751 122.820 -0.133 0.000 2.520 282 A HA 0.271 4.595 4.320 0.007 0.000 0.245 282 A C -1.950 175.418 177.584 -0.359 0.000 1.072 282 A CA -0.957 50.992 52.037 -0.147 0.000 0.761 282 A CB -0.552 18.403 19.000 -0.075 0.000 1.004 282 A HN 0.284 nan 8.150 nan 0.000 0.499 283 P HA 0.133 nan 4.420 nan 0.000 0.259 283 P C -0.620 176.481 177.300 -0.331 0.000 1.211 283 P CA 0.874 63.753 63.100 -0.368 0.000 0.810 283 P CB 0.349 31.998 31.700 -0.086 0.000 0.815 284 D N 2.167 122.297 120.400 -0.450 0.000 2.779 284 D HA 0.225 4.870 4.640 0.007 0.000 0.331 284 D C -1.086 175.015 176.300 -0.333 0.000 1.331 284 D CA -0.513 53.227 54.000 -0.433 0.000 0.866 284 D CB 1.249 41.616 40.800 -0.722 0.000 1.409 284 D HN 0.031 nan 8.370 nan 0.000 0.486 285 N N 0.732 119.195 118.700 -0.395 0.000 2.419 285 N HA 0.341 5.085 4.740 0.007 0.000 0.277 285 N C -1.081 174.148 175.510 -0.467 0.000 1.006 285 N CA -0.090 52.829 53.050 -0.219 0.000 0.923 285 N CB 1.123 39.485 38.487 -0.208 0.000 1.140 285 N HN 0.264 nan 8.380 nan 0.000 0.488 286 Y N -0.069 120.222 120.300 -0.016 0.000 2.446 286 Y HA 0.348 4.902 4.550 0.007 0.000 0.345 286 Y C -0.176 175.732 175.900 0.013 0.000 0.984 286 Y CA -0.933 57.156 58.100 -0.019 0.000 1.058 286 Y CB 1.372 39.911 38.460 0.132 0.000 1.220 286 Y HN 0.410 nan 8.280 nan 0.000 0.455 287 W N 3.253 124.668 121.300 0.191 0.000 2.238 287 W HA 0.308 4.973 4.660 0.008 0.000 0.321 287 W C -0.605 175.975 176.519 0.102 0.000 1.293 287 W CA -0.481 56.928 57.345 0.107 0.000 1.204 287 W CB 0.523 29.991 29.460 0.015 0.000 1.167 287 W HN 0.385 nan 8.180 nan 0.000 0.553 288 F N 4.717 124.825 119.950 0.263 0.000 2.332 288 F HA 0.371 4.902 4.527 0.007 0.000 0.368 288 F C -0.392 175.446 175.800 0.064 0.000 1.110 288 F CA -0.825 57.187 58.000 0.020 0.000 1.087 288 F CB 0.103 39.132 39.000 0.048 0.000 1.235 288 F HN 0.252 nan 8.300 nan 0.000 0.470 289 N N 3.987 122.536 118.700 -0.251 0.000 2.456 289 N HA 0.485 5.229 4.740 0.007 0.000 0.288 289 N C -1.376 173.914 175.510 -0.367 0.000 1.059 289 N CA -0.547 52.368 53.050 -0.224 0.000 0.946 289 N CB 2.064 40.448 38.487 -0.172 0.000 1.150 289 N HN 0.303 nan 8.380 nan 0.000 0.479 290 V N 2.079 121.831 119.914 -0.270 0.000 2.347 290 V HA 0.462 4.586 4.120 0.007 0.000 0.280 290 V C 0.099 175.972 176.094 -0.368 0.000 1.021 290 V CA -0.390 61.677 62.300 -0.388 0.000 0.847 290 V CB 0.712 32.243 31.823 -0.486 0.000 0.990 290 V HN 0.882 nan 8.190 nan 0.000 0.444 291 T N 1.883 116.203 114.554 -0.390 0.000 2.907 291 T HA 0.807 5.161 4.350 0.007 0.000 0.290 291 T C -0.917 173.493 174.700 -0.482 0.000 1.066 291 T CA -0.660 61.260 62.100 -0.299 0.000 1.012 291 T CB 1.928 70.743 68.868 -0.088 0.000 1.184 291 T HN 0.104 nan 8.240 nan 0.000 0.522 292 F N -0.372 119.612 119.950 0.056 0.000 2.532 292 F HA 0.773 5.305 4.527 0.008 0.000 0.321 292 F C 0.831 176.683 175.800 0.086 0.000 1.089 292 F CA -0.411 57.632 58.000 0.070 0.000 0.926 292 F CB 2.404 41.392 39.000 -0.019 0.000 1.168 292 F HN 1.088 nan 8.300 nan 0.000 0.459 293 G N -0.381 108.602 108.800 0.305 0.000 3.211 293 G HA2 0.488 4.452 3.960 0.007 0.000 0.262 293 G HA3 0.488 4.452 3.960 0.007 0.000 0.262 293 G C 0.497 175.497 174.900 0.167 0.000 1.352 293 G CA -0.579 44.644 45.100 0.205 0.000 1.004 293 G HN 1.256 nan 8.290 nan 0.000 0.559 294 G N -1.076 107.779 108.800 0.091 0.000 2.166 294 G HA2 -0.192 3.773 3.960 0.007 0.000 0.260 294 G HA3 -0.192 3.773 3.960 0.007 0.000 0.260 294 G C 0.659 175.599 174.900 0.067 0.000 0.986 294 G CA 0.889 46.019 45.100 0.050 0.000 0.683 294 G HN 1.430 nan 8.290 nan 0.000 0.527 295 Q N -3.185 116.668 119.800 0.088 0.000 2.452 295 Q HA -0.205 4.140 4.340 0.007 0.000 0.318 295 Q C 1.412 177.477 176.000 0.109 0.000 1.386 295 Q CA 2.047 57.906 55.803 0.093 0.000 0.872 295 Q CB -2.400 26.380 28.738 0.070 0.000 1.151 295 Q HN 2.472 nan 8.270 nan 0.000 0.417 296 A N -2.053 120.838 122.820 0.118 0.000 2.945 296 A HA -0.277 4.048 4.320 0.007 0.000 0.263 296 A C 1.618 179.269 177.584 0.112 0.000 1.293 296 A CA 2.127 54.238 52.037 0.124 0.000 0.944 296 A CB -1.834 17.340 19.000 0.291 0.000 1.093 296 A HN 1.431 nan 8.150 nan 0.000 0.786 297 A N -1.021 121.845 122.820 0.078 0.000 2.067 297 A HA 0.149 4.473 4.320 0.007 0.000 0.219 297 A C 1.736 179.316 177.584 -0.006 0.000 1.158 297 A CA 1.936 54.007 52.037 0.057 0.000 0.661 297 A CB -0.959 18.064 19.000 0.037 0.000 0.801 297 A HN 2.169 nan 8.150 nan 0.000 0.452 298 c N -3.180 115.393 118.600 -0.045 0.000 2.913 298 c HA 0.654 5.229 4.570 0.007 0.000 0.246 298 c C 0.771 174.831 174.090 -0.050 0.000 1.857 298 c CA -0.540 55.663 56.329 -0.210 0.000 1.690 298 c CB -0.977 41.211 42.510 -0.537 0.000 3.235 298 c HN 1.738 nan 8.230 nan 0.000 0.475 299 G N -0.453 108.327 108.800 -0.034 0.000 2.555 299 G HA2 0.502 4.466 3.960 0.007 0.000 0.686 299 G HA3 0.502 4.466 3.960 0.007 0.000 0.686 299 G C -0.444 173.963 174.900 -0.821 0.000 1.275 299 G CA -0.059 44.919 45.100 -0.203 0.000 0.871 299 G HN 2.102 nan 8.290 nan 0.000 0.603 300 G N -1.437 106.413 108.800 -1.583 0.000 2.559 300 G HA2 0.901 4.866 3.960 0.007 0.000 0.291 300 G HA3 0.901 4.866 3.960 0.007 0.000 0.291 300 G C -0.933 172.763 174.900 -2.006 0.000 1.424 300 G CA 0.886 44.298 45.100 -2.813 0.000 0.786 300 G HN 1.894 nan 8.290 nan 0.000 0.485 301 S N -1.355 113.545 115.700 -1.334 0.000 2.569 301 S HA 0.519 4.993 4.470 0.007 0.000 0.280 301 S C 0.877 175.455 174.600 -0.036 0.000 1.111 301 S CA -0.736 57.235 58.200 -0.381 0.000 0.887 301 S CB 1.539 64.721 63.200 -0.029 0.000 1.095 301 S HN 0.514 nan 8.310 nan 0.000 0.476 302 L N 2.115 123.365 121.223 0.046 0.000 2.478 302 L HA 0.156 4.500 4.340 0.007 0.000 0.223 302 L C 0.848 177.739 176.870 0.034 0.000 1.140 302 L CA 0.352 55.238 54.840 0.077 0.000 0.842 302 L CB -0.256 41.825 42.059 0.037 0.000 0.953 302 L HN 0.521 nan 8.230 nan 0.000 0.452 303 N N 1.253 119.962 118.700 0.016 0.000 2.420 303 N HA 0.096 4.841 4.740 0.007 0.000 0.249 303 N C -1.569 173.929 175.510 -0.019 0.000 1.033 303 N CA -2.049 51.009 53.050 0.013 0.000 0.944 303 N CB 1.361 39.863 38.487 0.025 0.000 1.113 303 N HN -0.098 nan 8.380 nan 0.000 0.502 304 P HA -0.072 nan 4.420 nan 0.000 0.221 304 P C -0.535 176.420 177.300 -0.575 0.000 1.150 304 P CA 1.294 64.207 63.100 -0.312 0.000 0.800 304 P CB 0.292 31.764 31.700 -0.380 0.000 0.787 305 H N -0.869 118.201 119.070 0.001 0.000 2.439 305 H HA 0.373 4.934 4.556 0.008 0.000 0.228 305 H C -2.498 172.781 175.328 -0.082 0.000 1.423 305 H CA -2.191 53.814 56.048 -0.073 0.000 1.386 305 H CB 0.329 29.997 29.762 -0.156 0.000 1.641 305 H HN 0.173 nan 8.280 nan 0.000 0.508 306 P HA 0.332 nan 4.420 nan 0.000 0.271 306 P C -0.408 176.892 177.300 0.001 0.000 1.226 306 P CA 0.042 63.146 63.100 0.006 0.000 0.765 306 P CB 1.214 32.882 31.700 -0.055 0.000 0.835 307 A N 2.336 125.223 122.820 0.112 0.000 2.602 307 A HA 0.869 5.194 4.320 0.007 0.000 0.290 307 A C -1.544 176.284 177.584 0.406 0.000 1.114 307 A CA -0.471 51.677 52.037 0.186 0.000 0.683 307 A CB 1.519 20.482 19.000 -0.062 0.000 1.281 307 A HN 0.509 nan 8.150 nan 0.000 0.416 308 A N -0.063 123.057 122.820 0.500 0.000 2.479 308 A HA 0.841 5.165 4.320 0.007 0.000 0.296 308 A C -1.039 176.873 177.584 0.548 0.000 1.121 308 A CA -0.506 51.837 52.037 0.512 0.000 0.743 308 A CB 0.874 20.178 19.000 0.507 0.000 1.323 308 A HN 0.817 nan 8.150 nan 0.000 0.415 309 I N 0.540 121.335 120.570 0.376 0.000 2.377 309 I HA 0.365 4.539 4.170 0.007 0.000 0.293 309 I C -1.366 174.924 176.117 0.289 0.000 0.987 309 I CA -0.172 61.266 61.300 0.230 0.000 1.185 309 I CB 1.395 39.390 38.000 -0.009 0.000 1.341 309 I HN 0.477 nan 8.210 nan 0.000 0.455 310 F N 4.836 124.827 119.950 0.069 0.000 2.311 310 F HA 0.272 4.803 4.527 0.007 0.000 0.371 310 F C 0.257 176.142 175.800 0.143 0.000 1.083 310 F CA -0.666 57.358 58.000 0.039 0.000 1.113 310 F CB 0.255 39.247 39.000 -0.013 0.000 1.349 310 F HN 0.415 nan 8.300 nan 0.000 0.470 311 H N 2.965 122.061 119.070 0.042 0.000 2.562 311 H HA 0.320 4.880 4.556 0.007 0.000 0.314 311 H C -1.254 174.146 175.328 0.119 0.000 1.079 311 H CA -0.351 55.744 56.048 0.077 0.000 1.349 311 H CB 0.497 30.247 29.762 -0.020 0.000 1.432 311 H HN 0.380 nan 8.280 nan 0.000 0.479 312 Y N 3.284 123.307 120.300 -0.461 0.000 2.335 312 Y HA 0.331 4.885 4.550 0.007 0.000 0.331 312 Y C 0.570 176.091 175.900 -0.631 0.000 1.094 312 Y CA -0.224 57.667 58.100 -0.347 0.000 1.253 312 Y CB 0.759 39.143 38.460 -0.127 0.000 1.203 312 Y HN 0.849 nan 8.280 nan 0.000 0.508 313 A N 2.705 125.394 122.820 -0.217 0.000 2.524 313 A HA 0.421 4.745 4.320 0.007 0.000 0.250 313 A C 1.365 178.929 177.584 -0.034 0.000 1.078 313 A CA 0.860 52.832 52.037 -0.108 0.000 0.761 313 A CB -0.888 18.100 19.000 -0.021 0.000 1.012 313 A HN 1.444 nan 8.150 nan 0.000 0.500 314 G N 1.050 109.860 108.800 0.017 0.000 2.254 314 G HA2 0.144 4.108 3.960 0.007 0.000 0.225 314 G HA3 0.144 4.108 3.960 0.007 0.000 0.225 314 G C 0.692 175.616 174.900 0.040 0.000 1.003 314 G CA 0.396 45.520 45.100 0.040 0.000 0.622 314 G HN 2.127 nan 8.290 nan 0.000 0.507 315 A N 0.990 123.809 122.820 -0.001 0.000 2.296 315 A HA 0.732 5.057 4.320 0.007 0.000 0.264 315 A C -1.424 176.246 177.584 0.143 0.000 1.097 315 A CA -0.413 51.633 52.037 0.015 0.000 0.811 315 A CB -0.024 18.934 19.000 -0.069 0.000 1.072 315 A HN 0.238 nan 8.150 nan 0.000 0.495 316 P HA 0.303 nan 4.420 nan 0.000 0.272 316 P C 0.613 177.973 177.300 0.101 0.000 1.230 316 P CA 0.294 63.435 63.100 0.069 0.000 0.788 316 P CB 0.568 32.268 31.700 -0.000 0.000 0.949 317 G N -0.229 108.569 108.800 -0.004 0.000 2.504 317 G HA2 0.524 4.488 3.960 0.007 0.000 0.257 317 G HA3 0.524 4.488 3.960 0.007 0.000 0.257 317 G C 0.201 175.041 174.900 -0.101 0.000 1.451 317 G CA -0.110 44.920 45.100 -0.116 0.000 1.059 317 G HN 0.841 nan 8.290 nan 0.000 0.550 318 G N -2.057 106.674 108.800 -0.116 0.000 2.725 318 G HA2 -0.092 3.872 3.960 0.007 0.000 0.220 318 G HA3 -0.092 3.872 3.960 0.007 0.000 0.220 318 G C -0.223 174.583 174.900 -0.156 0.000 1.357 318 G CA -0.252 44.789 45.100 -0.098 0.000 0.866 318 G HN 0.849 nan 8.290 nan 0.000 0.548 319 L N 1.072 122.197 121.223 -0.163 0.000 2.375 319 L HA 0.432 4.776 4.340 0.007 0.000 0.271 319 L C -1.694 174.894 176.870 -0.470 0.000 1.107 319 L CA -1.695 52.948 54.840 -0.328 0.000 0.806 319 L CB 1.019 43.002 42.059 -0.126 0.000 1.146 319 L HN 0.349 nan 8.230 nan 0.000 0.447 320 P HA 0.049 nan 4.420 nan 0.000 0.269 320 P C 0.482 177.498 177.300 -0.474 0.000 1.209 320 P CA -0.155 62.433 63.100 -0.854 0.000 0.776 320 P CB 0.732 31.517 31.700 -1.525 0.000 0.876 321 T N -3.036 111.353 114.554 -0.275 0.000 3.040 321 T HA 0.044 4.398 4.350 0.007 0.000 0.252 321 T C 0.545 175.253 174.700 0.015 0.000 1.064 321 T CA 0.265 62.314 62.100 -0.084 0.000 1.110 321 T CB -0.256 68.556 68.868 -0.093 0.000 0.921 321 T HN 0.227 nan 8.240 nan 0.000 0.480 322 D N 1.860 122.259 120.400 -0.003 0.000 2.365 322 D HA 0.205 4.849 4.640 0.007 0.000 0.237 322 D C 0.791 177.244 176.300 0.255 0.000 1.190 322 D CA -0.213 53.844 54.000 0.095 0.000 0.867 322 D CB 1.127 41.975 40.800 0.080 0.000 1.050 322 D HN 0.355 nan 8.370 nan 0.000 0.491 323 E N 2.060 122.387 120.200 0.211 0.000 2.274 323 E HA 0.115 4.470 4.350 0.007 0.000 0.194 323 E C 1.228 177.888 176.600 0.100 0.000 0.996 323 E CA 0.425 56.923 56.400 0.163 0.000 0.840 323 E CB 0.034 29.742 29.700 0.012 0.000 0.772 323 E HN 0.745 nan 8.360 nan 0.000 0.491 324 G N 0.747 109.608 108.800 0.103 0.000 2.796 324 G HA2 -0.281 3.684 3.960 0.007 0.000 0.226 324 G HA3 -0.281 3.684 3.960 0.007 0.000 0.226 324 G C -0.184 174.733 174.900 0.029 0.000 1.381 324 G CA -0.154 44.990 45.100 0.073 0.000 0.867 324 G HN 0.165 nan 8.290 nan 0.000 0.552 325 T N 2.002 116.569 114.554 0.022 0.000 2.875 325 T HA 0.661 5.015 4.350 0.007 0.000 0.284 325 T C -1.652 173.051 174.700 0.004 0.000 0.995 325 T CA -0.558 61.548 62.100 0.011 0.000 1.060 325 T CB 0.957 69.831 68.868 0.008 0.000 0.967 325 T HN 0.697 nan 8.240 nan 0.000 0.476 326 P HA 0.292 nan 4.420 nan 0.000 0.271 326 P C -2.410 174.895 177.300 0.009 0.000 1.216 326 P CA -1.083 62.025 63.100 0.013 0.000 0.771 326 P CB -0.097 31.620 31.700 0.029 0.000 0.864 327 P HA 0.016 nan 4.420 nan 0.000 0.273 327 P C -0.069 177.243 177.300 0.020 0.000 1.250 327 P CA -0.267 62.843 63.100 0.017 0.000 0.793 327 P CB 0.340 32.061 31.700 0.035 0.000 1.011 328 V N -2.124 117.778 119.914 -0.019 0.000 2.763 328 V HA 0.095 4.219 4.120 0.007 0.000 0.306 328 V C 0.549 176.600 176.094 -0.072 0.000 1.059 328 V CA -0.388 61.862 62.300 -0.084 0.000 1.138 328 V CB -0.210 31.505 31.823 -0.180 0.000 0.940 328 V HN 0.482 nan 8.190 nan 0.000 0.489 329 D N 2.414 122.784 120.400 -0.049 0.000 2.346 329 D HA 0.052 4.696 4.640 0.007 0.000 0.260 329 D C 1.019 177.279 176.300 -0.066 0.000 1.252 329 D CA 0.124 54.128 54.000 0.008 0.000 0.895 329 D CB 0.320 41.128 40.800 0.013 0.000 1.097 329 D HN 0.782 nan 8.370 nan 0.000 0.489 330 H N 3.144 122.200 119.070 -0.023 0.000 2.555 330 H HA -0.023 4.538 4.556 0.007 0.000 0.269 330 H C 0.462 175.652 175.328 -0.231 0.000 0.988 330 H CA 0.316 56.301 56.048 -0.105 0.000 1.178 330 H CB 0.550 30.278 29.762 -0.056 0.000 1.373 330 H HN 0.525 nan 8.280 nan 0.000 0.588 331 Q N -0.907 118.853 119.800 -0.065 0.000 2.453 331 Q HA -0.187 4.157 4.340 0.007 0.000 0.294 331 Q C 0.589 176.458 176.000 -0.219 0.000 1.295 331 Q CA 0.825 56.567 55.803 -0.103 0.000 0.853 331 Q CB -2.630 26.061 28.738 -0.078 0.000 1.193 331 Q HN 0.702 nan 8.270 nan 0.000 0.461 332 c N -1.688 116.692 118.600 -0.366 0.000 4.356 332 c HA -0.228 4.347 4.570 0.007 0.000 0.296 332 c C 0.611 174.257 174.090 -0.739 0.000 1.424 332 c CA 0.954 56.958 56.329 -0.542 0.000 2.000 332 c CB -2.239 40.162 42.510 -0.181 0.000 1.262 332 c HN 0.494 nan 8.230 nan 0.000 0.789 333 L N 1.189 121.817 121.223 -0.991 0.000 2.408 333 L HA 0.544 4.888 4.340 0.007 0.000 0.268 333 L C 0.047 176.675 176.870 -0.404 0.000 0.986 333 L CA -0.463 54.073 54.840 -0.506 0.000 0.820 333 L CB 1.404 43.323 42.059 -0.234 0.000 1.303 333 L HN 0.229 nan 8.230 nan 0.000 0.411 334 D N 0.015 120.448 120.400 0.055 0.000 2.283 334 D HA 0.091 4.735 4.640 0.007 0.000 0.248 334 D C 0.055 176.481 176.300 0.211 0.000 1.072 334 D CA -0.416 53.790 54.000 0.343 0.000 0.929 334 D CB 1.625 42.694 40.800 0.447 0.000 1.182 334 D HN 0.318 nan 8.370 nan 0.000 0.433 335 T N 0.556 115.258 114.554 0.246 0.000 2.901 335 T HA 0.177 4.531 4.350 0.007 0.000 0.301 335 T C 0.935 175.727 174.700 0.153 0.000 1.012 335 T CA -0.463 61.735 62.100 0.164 0.000 1.135 335 T CB -0.040 68.909 68.868 0.135 0.000 0.936 335 T HN 0.344 nan 8.240 nan 0.000 0.539 336 L N 4.000 125.282 121.223 0.099 0.000 2.791 336 L HA 0.279 4.624 4.340 0.007 0.000 0.239 336 L C 0.970 177.885 176.870 0.076 0.000 1.203 336 L CA -0.107 54.788 54.840 0.091 0.000 1.002 336 L CB 0.084 42.179 42.059 0.060 0.000 1.295 336 L HN 0.601 nan 8.230 nan 0.000 0.504 337 D N 0.157 120.603 120.400 0.076 0.000 2.354 337 D HA 0.008 4.652 4.640 0.007 0.000 0.209 337 D C 0.994 177.336 176.300 0.070 0.000 1.015 337 D CA 0.433 54.468 54.000 0.059 0.000 0.867 337 D CB 0.484 41.310 40.800 0.043 0.000 0.933 337 D HN 0.169 nan 8.370 nan 0.000 0.520 338 V N 0.213 120.186 119.914 0.098 0.000 2.585 338 V HA 0.290 4.415 4.120 0.007 0.000 0.296 338 V C 0.198 176.347 176.094 0.090 0.000 1.035 338 V CA -0.377 61.987 62.300 0.107 0.000 1.084 338 V CB 0.787 32.707 31.823 0.161 0.000 0.953 338 V HN -0.115 nan 8.190 nan 0.000 0.483 339 R N 4.570 125.117 120.500 0.078 0.000 2.388 339 R HA 0.486 4.830 4.340 0.007 0.000 0.314 339 R C -2.878 173.467 176.300 0.074 0.000 0.959 339 R CA -2.288 53.854 56.100 0.070 0.000 0.851 339 R CB 1.633 31.968 30.300 0.058 0.000 1.168 339 R HN 0.531 nan 8.270 nan 0.000 0.472 340 P HA -0.034 nan 4.420 nan 0.000 0.266 340 P C 1.100 178.455 177.300 0.091 0.000 1.195 340 P CA -0.048 63.105 63.100 0.088 0.000 0.768 340 P CB 0.838 32.598 31.700 0.099 0.000 0.838 341 V N 3.110 123.086 119.914 0.104 0.000 2.295 341 V HA -0.142 3.983 4.120 0.007 0.000 0.246 341 V C 1.111 177.273 176.094 0.114 0.000 1.049 341 V CA 1.607 63.972 62.300 0.109 0.000 1.024 341 V CB -0.406 31.494 31.823 0.128 0.000 0.648 341 V HN 0.315 nan 8.190 nan 0.000 0.447 342 V N 3.735 123.731 119.914 0.136 0.000 2.389 342 V HA 0.241 4.366 4.120 0.007 0.000 0.264 342 V C -1.793 174.346 176.094 0.075 0.000 1.049 342 V CA -1.452 60.908 62.300 0.101 0.000 0.932 342 V CB 0.726 32.593 31.823 0.073 0.000 1.011 342 V HN 0.383 nan 8.190 nan 0.000 0.475 343 P HA 0.418 nan 4.420 nan 0.000 0.276 343 P C -0.834 176.501 177.300 0.059 0.000 1.244 343 P CA -0.641 62.492 63.100 0.056 0.000 0.801 343 P CB 1.254 32.982 31.700 0.047 0.000 1.006 344 R N 0.324 120.850 120.500 0.044 0.000 2.621 344 R HA 0.559 4.904 4.340 0.007 0.000 0.284 344 R C -0.757 175.503 176.300 -0.067 0.000 0.998 344 R CA -0.703 55.417 56.100 0.035 0.000 0.895 344 R CB 1.850 32.189 30.300 0.066 0.000 1.195 344 R HN 0.487 nan 8.270 nan 0.000 0.450 345 S N 1.459 117.097 115.700 -0.104 0.000 2.561 345 S HA 0.703 5.177 4.470 0.007 0.000 0.303 345 S C -0.842 173.583 174.600 -0.291 0.000 1.110 345 S CA -0.554 57.559 58.200 -0.145 0.000 1.034 345 S CB 0.906 64.074 63.200 -0.053 0.000 1.010 345 S HN 0.367 nan 8.310 nan 0.000 0.482 346 V N 2.786 122.509 119.914 -0.319 0.000 2.841 346 V HA 0.813 4.938 4.120 0.007 0.000 0.310 346 V C -2.819 173.205 176.094 -0.118 0.000 1.090 346 V CA -2.314 59.772 62.300 -0.356 0.000 0.930 346 V CB 1.662 33.122 31.823 -0.606 0.000 1.014 346 V HN 0.731 nan 8.190 nan 0.000 0.425 347 P HA 0.319 nan 4.420 nan 0.000 0.280 347 P C 0.450 177.729 177.300 -0.035 0.000 1.244 347 P CA -0.040 63.048 63.100 -0.020 0.000 0.784 347 P CB 1.862 33.554 31.700 -0.012 0.000 0.913 348 V N 0.084 119.975 119.914 -0.038 0.000 3.635 348 V HA 0.023 4.148 4.120 0.007 0.000 0.266 348 V C 1.851 177.933 176.094 -0.020 0.000 1.316 348 V CA 0.544 62.819 62.300 -0.042 0.000 1.060 348 V CB -0.910 30.919 31.823 0.009 0.000 0.820 348 V HN 0.454 nan 8.190 nan 0.000 0.447 349 N N 3.087 121.774 118.700 -0.023 0.000 2.309 349 N HA -0.169 4.575 4.740 0.007 0.000 0.182 349 N C 1.619 177.108 175.510 -0.035 0.000 1.018 349 N CA 1.846 54.888 53.050 -0.013 0.000 0.876 349 N CB -0.392 38.085 38.487 -0.016 0.000 0.972 349 N HN 0.685 nan 8.380 nan 0.000 0.434 350 S N -0.762 114.890 115.700 -0.079 0.000 2.593 350 S HA 0.095 4.569 4.470 0.007 0.000 0.217 350 S C 0.322 174.815 174.600 -0.179 0.000 0.966 350 S CA -0.805 57.324 58.200 -0.118 0.000 0.914 350 S CB -0.735 62.394 63.200 -0.118 0.000 0.776 350 S HN 0.294 nan 8.310 nan 0.000 0.523 351 F N 3.055 122.816 119.950 -0.314 0.000 2.504 351 F HA 0.475 5.006 4.527 0.007 0.000 0.369 351 F C -0.469 175.209 175.800 -0.204 0.000 1.082 351 F CA -0.684 57.095 58.000 -0.369 0.000 1.216 351 F CB 0.670 39.425 39.000 -0.408 0.000 1.108 351 F HN -0.077 nan 8.300 nan 0.000 0.554 352 V N 6.918 126.126 119.914 -1.176 0.000 2.531 352 V HA 0.223 4.347 4.120 0.007 0.000 0.301 352 V C -0.321 175.059 176.094 -1.190 0.000 1.034 352 V CA -1.400 60.376 62.300 -0.873 0.000 0.865 352 V CB 1.654 33.210 31.823 -0.446 0.000 0.995 352 V HN 0.673 nan 8.190 nan 0.000 0.424 353 K N 5.391 125.290 120.400 -0.834 0.000 2.363 353 K HA 0.374 4.698 4.320 0.007 0.000 0.289 353 K C -0.269 176.156 176.600 -0.292 0.000 1.063 353 K CA -0.023 55.953 56.287 -0.518 0.000 0.967 353 K CB 0.313 32.693 32.500 -0.200 0.000 0.987 353 K HN 0.650 nan 8.250 nan 0.000 0.473 354 R N 3.986 124.344 120.500 -0.238 0.000 2.795 354 R HA 0.231 4.576 4.340 0.007 0.000 0.275 354 R C -2.059 174.211 176.300 -0.050 0.000 0.981 354 R CA -2.180 53.840 56.100 -0.134 0.000 0.917 354 R CB 1.541 31.749 30.300 -0.155 0.000 1.202 354 R HN 0.358 nan 8.270 nan 0.000 0.469 355 P HA -0.192 nan 4.420 nan 0.000 0.218 355 P C 0.358 177.702 177.300 0.074 0.000 1.148 355 P CA 1.326 64.447 63.100 0.035 0.000 0.822 355 P CB 0.183 31.900 31.700 0.028 0.000 0.784 356 D N -1.167 119.265 120.400 0.054 0.000 2.363 356 D HA -0.100 4.544 4.640 0.007 0.000 0.220 356 D C 0.847 177.226 176.300 0.131 0.000 0.994 356 D CA 0.705 54.768 54.000 0.105 0.000 0.890 356 D CB -1.084 39.755 40.800 0.066 0.000 0.906 356 D HN 0.259 nan 8.370 nan 0.000 0.530 357 N N -1.082 117.643 118.700 0.041 0.000 2.170 357 N HA 0.042 4.786 4.740 0.007 0.000 0.222 357 N C -0.748 174.881 175.510 0.199 0.000 1.218 357 N CA -0.321 52.688 53.050 -0.068 0.000 0.889 357 N CB 0.297 38.635 38.487 -0.248 0.000 1.083 357 N HN -0.156 nan 8.380 nan 0.000 0.520 358 T N 1.289 115.975 114.554 0.220 0.000 2.779 358 T HA 0.474 4.829 4.350 0.007 0.000 0.280 358 T C -0.456 174.396 174.700 0.254 0.000 0.987 358 T CA -0.479 61.751 62.100 0.218 0.000 0.966 358 T CB 1.419 70.361 68.868 0.123 0.000 0.933 358 T HN 0.075 nan 8.240 nan 0.000 0.442 359 L N 6.120 127.505 121.223 0.271 0.000 2.387 359 L HA 0.345 4.689 4.340 0.007 0.000 0.259 359 L C -2.226 174.757 176.870 0.189 0.000 1.050 359 L CA -2.015 52.964 54.840 0.231 0.000 0.922 359 L CB 1.227 43.456 42.059 0.282 0.000 1.280 359 L HN 0.329 nan 8.230 nan 0.000 0.449 360 P HA 0.142 nan 4.420 nan 0.000 0.287 360 P C -0.289 177.081 177.300 0.116 0.000 1.294 360 P CA -0.163 63.019 63.100 0.137 0.000 0.776 360 P CB 1.856 33.625 31.700 0.115 0.000 0.889 361 V N 3.759 123.750 119.914 0.128 0.000 2.546 361 V HA 0.576 4.701 4.120 0.007 0.000 0.284 361 V C 0.645 176.826 176.094 0.146 0.000 1.050 361 V CA -0.035 62.334 62.300 0.116 0.000 0.981 361 V CB 0.812 32.680 31.823 0.076 0.000 0.990 361 V HN 0.801 nan 8.190 nan 0.000 0.474 362 A N 4.928 127.834 122.820 0.143 0.000 2.488 362 A HA 0.745 5.069 4.320 0.007 0.000 0.298 362 A C -1.350 176.210 177.584 -0.040 0.000 1.044 362 A CA -0.585 51.491 52.037 0.065 0.000 0.693 362 A CB 1.478 20.488 19.000 0.018 0.000 1.272 362 A HN 0.763 nan 8.150 nan 0.000 0.402 363 L N 1.883 122.954 121.223 -0.255 0.000 2.260 363 L HA 0.558 4.902 4.340 0.007 0.000 0.289 363 L C -0.683 175.941 176.870 -0.410 0.000 1.057 363 L CA 0.034 54.483 54.840 -0.652 0.000 0.811 363 L CB 0.912 42.351 42.059 -1.033 0.000 1.184 363 L HN 0.638 nan 8.230 nan 0.000 0.429 364 D N 4.432 124.614 120.400 -0.362 0.000 2.329 364 D HA 0.251 4.895 4.640 0.007 0.000 0.232 364 D C 0.379 176.502 176.300 -0.294 0.000 1.088 364 D CA -0.062 53.789 54.000 -0.249 0.000 0.835 364 D CB 0.982 41.683 40.800 -0.165 0.000 1.078 364 D HN 0.626 nan 8.370 nan 0.000 0.495 365 L N 2.781 123.844 121.223 -0.266 0.000 2.640 365 L HA 0.104 4.449 4.340 0.007 0.000 0.230 365 L C 1.986 178.733 176.870 -0.206 0.000 1.123 365 L CA 0.180 54.845 54.840 -0.292 0.000 0.900 365 L CB 0.174 42.067 42.059 -0.276 0.000 1.146 365 L HN 0.440 nan 8.230 nan 0.000 0.484 366 T N -3.567 110.894 114.554 -0.156 0.000 3.081 366 T HA 0.176 4.531 4.350 0.007 0.000 0.255 366 T C 1.026 175.667 174.700 -0.098 0.000 1.113 366 T CA 0.421 62.453 62.100 -0.113 0.000 1.082 366 T CB 0.203 69.020 68.868 -0.086 0.000 0.939 366 T HN 0.226 nan 8.240 nan 0.000 0.506 367 G N 0.468 109.203 108.800 -0.108 0.000 2.890 367 G HA2 0.566 4.530 3.960 0.007 0.000 0.189 367 G HA3 0.566 4.530 3.960 0.007 0.000 0.189 367 G C -1.112 173.738 174.900 -0.083 0.000 1.342 367 G CA -0.652 44.399 45.100 -0.082 0.000 1.026 367 G HN 0.263 nan 8.290 nan 0.000 0.579 368 T N 2.308 116.827 114.554 -0.058 0.000 2.847 368 T HA 0.550 4.904 4.350 0.007 0.000 0.291 368 T C -1.953 172.730 174.700 -0.028 0.000 0.998 368 T CA -0.529 61.544 62.100 -0.044 0.000 0.967 368 T CB 1.780 70.633 68.868 -0.025 0.000 0.954 368 T HN 0.524 nan 8.240 nan 0.000 0.441 369 P HA 0.331 nan 4.420 nan 0.000 0.289 369 P C 1.004 178.242 177.300 -0.104 0.000 1.299 369 P CA -0.702 62.371 63.100 -0.044 0.000 0.766 369 P CB 0.894 32.590 31.700 -0.006 0.000 1.226 370 L N -0.604 120.525 121.223 -0.157 0.000 2.017 370 L HA 0.022 4.366 4.340 0.007 0.000 0.208 370 L C 0.972 177.536 176.870 -0.510 0.000 1.073 370 L CA 1.524 56.152 54.840 -0.353 0.000 0.745 370 L CB -0.929 40.853 42.059 -0.460 0.000 0.894 370 L HN 0.199 nan 8.230 nan 0.000 0.432 371 F N 0.096 119.963 119.950 -0.138 0.000 2.406 371 F HA 0.368 4.899 4.527 0.006 0.000 0.358 371 F C -0.195 175.482 175.800 -0.205 0.000 1.161 371 F CA -0.496 57.376 58.000 -0.213 0.000 1.185 371 F CB 0.296 39.244 39.000 -0.086 0.000 1.421 371 F HN -0.376 nan 8.300 nan 0.000 0.576 372 V N 2.672 122.462 119.914 -0.207 0.000 2.378 372 V HA 0.258 4.382 4.120 0.007 0.000 0.288 372 V C -0.817 175.135 176.094 -0.236 0.000 1.016 372 V CA -1.170 61.059 62.300 -0.118 0.000 0.840 372 V CB 0.998 32.766 31.823 -0.092 0.000 0.994 372 V HN 0.544 nan 8.190 nan 0.000 0.431 373 W N 4.537 125.835 121.300 -0.004 0.000 2.335 373 W HA 0.583 5.247 4.660 0.007 0.000 0.307 373 W C 0.346 176.827 176.519 -0.063 0.000 1.117 373 W CA -0.496 56.816 57.345 -0.055 0.000 1.228 373 W CB 1.080 30.487 29.460 -0.088 0.000 1.240 373 W HN 0.315 nan 8.180 nan 0.000 0.468 374 K N 2.489 122.974 120.400 0.142 0.000 2.270 374 K HA 0.651 4.976 4.320 0.007 0.000 0.255 374 K C -1.161 175.480 176.600 0.069 0.000 0.936 374 K CA -1.084 55.244 56.287 0.069 0.000 0.809 374 K CB 2.421 34.930 32.500 0.015 0.000 1.131 374 K HN 0.126 nan 8.250 nan 0.000 0.427 375 V N 3.042 122.977 119.914 0.035 0.000 2.378 375 V HA 0.156 4.280 4.120 0.007 0.000 0.288 375 V C 0.153 176.262 176.094 0.025 0.000 1.016 375 V CA -0.775 61.543 62.300 0.029 0.000 0.840 375 V CB 0.907 32.728 31.823 -0.003 0.000 0.994 375 V HN 0.945 nan 8.190 nan 0.000 0.431 376 N N 3.681 122.409 118.700 0.047 0.000 2.754 376 N HA -0.188 4.556 4.740 0.007 0.000 0.248 376 N C 1.012 176.540 175.510 0.029 0.000 1.093 376 N CA 1.853 54.932 53.050 0.047 0.000 0.699 376 N CB -1.065 37.454 38.487 0.053 0.000 1.016 376 N HN 1.659 nan 8.380 nan 0.000 0.552 377 G N -2.358 106.457 108.800 0.023 0.000 2.176 377 G HA2 -0.186 3.778 3.960 0.007 0.000 0.253 377 G HA3 -0.186 3.778 3.960 0.007 0.000 0.253 377 G C -0.067 174.833 174.900 0.001 0.000 0.979 377 G CA 0.771 45.877 45.100 0.010 0.000 0.641 377 G HN 1.375 nan 8.290 nan 0.000 0.530 378 S N 0.845 116.545 115.700 0.000 0.000 2.571 378 S HA 0.531 5.006 4.470 0.007 0.000 0.284 378 S C -0.832 173.762 174.600 -0.009 0.000 1.128 378 S CA 0.019 58.213 58.200 -0.010 0.000 0.970 378 S CB 1.238 64.427 63.200 -0.018 0.000 1.039 378 S HN 0.526 nan 8.310 nan 0.000 0.485 379 D N 4.162 124.557 120.400 -0.008 0.000 2.277 379 D HA 0.190 4.834 4.640 0.007 0.000 0.249 379 D C 0.368 176.652 176.300 -0.027 0.000 1.134 379 D CA -0.441 53.561 54.000 0.002 0.000 0.863 379 D CB 0.892 41.702 40.800 0.016 0.000 1.143 379 D HN 0.570 nan 8.370 nan 0.000 0.458 380 I N 1.667 122.212 120.570 -0.042 0.000 2.648 380 I HA -0.021 4.153 4.170 0.007 0.000 0.284 380 I C -0.356 175.705 176.117 -0.094 0.000 1.153 380 I CA 0.269 61.520 61.300 -0.081 0.000 1.426 380 I CB 0.265 38.199 38.000 -0.111 0.000 1.381 380 I HN 0.422 nan 8.210 nan 0.000 0.571 381 N N 6.241 124.871 118.700 -0.117 0.000 2.629 381 N HA 0.283 5.028 4.740 0.007 0.000 0.277 381 N C -1.067 174.340 175.510 -0.171 0.000 1.188 381 N CA -0.627 52.331 53.050 -0.153 0.000 0.835 381 N CB 1.168 39.581 38.487 -0.123 0.000 1.420 381 N HN 0.340 nan 8.380 nan 0.000 0.542 382 V N -0.073 119.708 119.914 -0.223 0.000 3.036 382 V HA 0.600 4.725 4.120 0.007 0.000 0.308 382 V C 0.036 175.991 176.094 -0.232 0.000 1.070 382 V CA -0.470 61.716 62.300 -0.189 0.000 1.056 382 V CB 1.565 33.291 31.823 -0.162 0.000 1.084 382 V HN 0.570 nan 8.190 nan 0.000 0.471 383 D N 2.432 122.779 120.400 -0.089 0.000 2.412 383 D HA 0.241 4.885 4.640 0.007 0.000 0.224 383 D C 0.442 176.783 176.300 0.069 0.000 1.093 383 D CA -0.476 53.498 54.000 -0.043 0.000 0.850 383 D CB 0.839 41.683 40.800 0.073 0.000 1.046 383 D HN 0.690 nan 8.370 nan 0.000 0.507 384 W N 2.764 124.015 121.300 -0.082 0.000 2.350 384 W HA -0.029 4.634 4.660 0.005 0.000 0.289 384 W C 1.983 178.503 176.519 0.002 0.000 1.215 384 W CA 1.157 58.425 57.345 -0.129 0.000 1.236 384 W CB -0.816 28.535 29.460 -0.181 0.000 1.130 384 W HN 0.586 nan 8.180 nan 0.000 0.541 385 G N -0.736 108.284 108.800 0.366 0.000 2.777 385 G HA2 -0.074 3.890 3.960 0.007 0.000 0.211 385 G HA3 -0.074 3.890 3.960 0.007 0.000 0.211 385 G C 0.667 175.688 174.900 0.202 0.000 1.149 385 G CA 0.069 45.381 45.100 0.353 0.000 0.785 385 G HN 0.093 nan 8.290 nan 0.000 0.536 386 K N 0.893 121.402 120.400 0.182 0.000 2.814 386 K HA 0.326 4.650 4.320 0.007 0.000 0.205 386 K C -2.941 173.830 176.600 0.286 0.000 1.093 386 K CA -1.525 54.866 56.287 0.172 0.000 1.035 386 K CB 2.191 34.744 32.500 0.089 0.000 1.220 386 K HN -0.041 nan 8.250 nan 0.000 0.576 387 P HA 0.053 nan 4.420 nan 0.000 0.272 387 P C 1.033 178.562 177.300 0.383 0.000 1.240 387 P CA -0.582 62.708 63.100 0.317 0.000 0.791 387 P CB 0.635 32.572 31.700 0.395 0.000 0.978 388 I N 1.016 121.709 120.570 0.204 0.000 2.335 388 I HA -0.187 3.987 4.170 0.007 0.000 0.251 388 I C 1.867 178.064 176.117 0.133 0.000 1.129 388 I CA 1.605 62.980 61.300 0.124 0.000 1.402 388 I CB -1.100 36.807 38.000 -0.154 0.000 1.069 388 I HN 0.374 nan 8.210 nan 0.000 0.424 389 I N 0.692 121.258 120.570 -0.007 0.000 2.493 389 I HA -0.249 3.926 4.170 0.007 0.000 0.254 389 I C 2.207 178.176 176.117 -0.246 0.000 1.160 389 I CA 1.318 62.465 61.300 -0.255 0.000 1.445 389 I CB -1.185 36.472 38.000 -0.572 0.000 1.086 389 I HN 0.228 nan 8.210 nan 0.000 0.433 390 D N 0.063 120.506 120.400 0.072 0.000 2.144 390 D HA -0.212 4.433 4.640 0.007 0.000 0.200 390 D C 2.175 178.523 176.300 0.079 0.000 0.978 390 D CA 1.320 55.429 54.000 0.181 0.000 0.833 390 D CB -0.005 40.977 40.800 0.305 0.000 0.961 390 D HN 0.262 nan 8.370 nan 0.000 0.470 391 Y N 0.107 120.465 120.300 0.097 0.000 2.200 391 Y HA -0.093 4.461 4.550 0.007 0.000 0.290 391 Y C 2.273 178.225 175.900 0.087 0.000 1.137 391 Y CA 0.531 58.701 58.100 0.117 0.000 1.163 391 Y CB -0.153 38.461 38.460 0.257 0.000 0.988 391 Y HN 0.079 nan 8.280 nan 0.000 0.518 392 I N -0.203 120.501 120.570 0.223 0.000 2.179 392 I HA -0.275 3.900 4.170 0.007 0.000 0.242 392 I C 2.108 178.244 176.117 0.033 0.000 1.088 392 I CA 1.610 62.972 61.300 0.103 0.000 1.357 392 I CB -1.210 36.794 38.000 0.007 0.000 1.051 392 I HN 0.282 nan 8.210 nan 0.000 0.409 393 L N 0.339 121.551 121.223 -0.018 0.000 2.376 393 L HA -0.133 4.211 4.340 0.007 0.000 0.219 393 L C 2.037 178.913 176.870 0.011 0.000 1.133 393 L CA 1.427 56.252 54.840 -0.025 0.000 0.816 393 L CB -0.616 41.404 42.059 -0.064 0.000 0.933 393 L HN 0.381 nan 8.230 nan 0.000 0.449 394 T N -4.712 109.855 114.554 0.021 0.000 3.054 394 T HA 0.272 4.627 4.350 0.007 0.000 0.255 394 T C 1.309 176.019 174.700 0.016 0.000 1.035 394 T CA 0.286 62.393 62.100 0.012 0.000 0.941 394 T CB 0.655 69.515 68.868 -0.014 0.000 1.026 394 T HN 0.331 nan 8.240 nan 0.000 0.533 395 G N 2.036 110.856 108.800 0.034 0.000 2.221 395 G HA2 -0.257 3.707 3.960 0.007 0.000 0.265 395 G HA3 -0.257 3.707 3.960 0.007 0.000 0.265 395 G C -0.167 174.746 174.900 0.023 0.000 1.041 395 G CA -0.048 45.071 45.100 0.032 0.000 0.807 395 G HN 0.710 nan 8.290 nan 0.000 0.502 396 N N 0.316 119.044 118.700 0.047 0.000 2.437 396 N HA 0.467 5.211 4.740 0.007 0.000 0.259 396 N C 1.424 176.886 175.510 -0.080 0.000 0.983 396 N CA 0.276 53.344 53.050 0.031 0.000 0.937 396 N CB 1.122 39.656 38.487 0.077 0.000 1.122 396 N HN 0.315 nan 8.380 nan 0.000 0.499 397 T N -1.250 113.143 114.554 -0.268 0.000 3.069 397 T HA 0.143 4.498 4.350 0.007 0.000 0.252 397 T C 0.371 174.531 174.700 -0.900 0.000 1.053 397 T CA -0.167 61.523 62.100 -0.683 0.000 0.964 397 T CB -0.135 68.563 68.868 -0.283 0.000 1.005 397 T HN 0.226 nan 8.240 nan 0.000 0.532 398 S N 2.596 118.025 115.700 -0.452 0.000 4.183 398 S HA 0.301 4.775 4.470 0.007 0.000 0.195 398 S C -0.819 173.650 174.600 -0.219 0.000 1.421 398 S CA -0.724 57.328 58.200 -0.247 0.000 0.920 398 S CB -1.011 62.156 63.200 -0.055 0.000 1.525 398 S HN 0.472 nan 8.310 nan 0.000 0.447 399 Y N 2.942 123.154 120.300 -0.146 0.000 2.465 399 Y HA 0.278 4.832 4.550 0.007 0.000 0.331 399 Y C -1.466 174.319 175.900 -0.191 0.000 1.102 399 Y CA -2.966 54.909 58.100 -0.374 0.000 1.358 399 Y CB -0.643 37.601 38.460 -0.360 0.000 1.213 399 Y HN 0.305 nan 8.280 nan 0.000 0.525 400 P HA 0.021 nan 4.420 nan 0.000 0.272 400 P C 0.809 178.103 177.300 -0.010 0.000 1.223 400 P CA -0.201 62.903 63.100 0.005 0.000 0.784 400 P CB 1.379 33.094 31.700 0.024 0.000 0.923 401 V N 1.462 121.373 119.914 -0.004 0.000 2.392 401 V HA -0.258 3.866 4.120 0.007 0.000 0.249 401 V C 2.635 178.709 176.094 -0.033 0.000 1.059 401 V CA 2.690 64.983 62.300 -0.012 0.000 1.051 401 V CB -1.730 30.089 31.823 -0.006 0.000 0.658 401 V HN 0.781 nan 8.190 nan 0.000 0.455 402 S N -0.619 115.058 115.700 -0.037 0.000 2.469 402 S HA -0.215 4.259 4.470 0.007 0.000 0.238 402 S C 1.508 176.058 174.600 -0.083 0.000 0.998 402 S CA 1.427 59.594 58.200 -0.054 0.000 0.957 402 S CB -0.469 62.700 63.200 -0.051 0.000 0.764 402 S HN 0.629 nan 8.310 nan 0.000 0.514 403 D N 1.769 122.113 120.400 -0.094 0.000 2.355 403 D HA 0.055 4.699 4.640 0.007 0.000 0.218 403 D C -0.141 176.064 176.300 -0.159 0.000 1.004 403 D CA 0.189 54.106 54.000 -0.138 0.000 0.880 403 D CB -0.370 40.327 40.800 -0.172 0.000 0.911 403 D HN 0.309 nan 8.370 nan 0.000 0.528 404 N N 1.060 119.685 118.700 -0.125 0.000 2.699 404 N HA -0.186 4.559 4.740 0.007 0.000 0.256 404 N C -0.455 174.950 175.510 -0.175 0.000 0.993 404 N CA 0.407 53.380 53.050 -0.129 0.000 0.759 404 N CB -1.107 37.301 38.487 -0.132 0.000 0.906 404 N HN 0.327 nan 8.380 nan 0.000 0.541 405 I N 0.605 121.074 120.570 -0.168 0.000 2.452 405 I HA 0.050 4.224 4.170 0.007 0.000 0.287 405 I C 0.720 176.764 176.117 -0.121 0.000 1.079 405 I CA -0.078 61.096 61.300 -0.210 0.000 1.387 405 I CB 0.668 38.478 38.000 -0.316 0.000 1.404 405 I HN -0.136 nan 8.210 nan 0.000 0.522 406 V N 7.344 127.183 119.914 -0.125 0.000 2.284 406 V HA 0.220 4.344 4.120 0.007 0.000 0.274 406 V C 0.337 176.495 176.094 0.106 0.000 1.023 406 V CA -0.721 61.577 62.300 -0.003 0.000 0.808 406 V CB 1.031 32.788 31.823 -0.110 0.000 1.035 406 V HN 0.700 nan 8.190 nan 0.000 0.445 407 Q N 3.344 123.207 119.800 0.104 0.000 2.293 407 Q HA 0.403 4.748 4.340 0.007 0.000 0.263 407 Q C -0.929 175.183 176.000 0.187 0.000 1.002 407 Q CA -0.150 55.724 55.803 0.117 0.000 0.910 407 Q CB 1.279 30.078 28.738 0.102 0.000 1.185 407 Q HN 0.631 nan 8.270 nan 0.000 0.401 408 V N 5.130 125.159 119.914 0.191 0.000 2.304 408 V HA 0.118 4.242 4.120 0.007 0.000 0.278 408 V C -0.066 176.100 176.094 0.121 0.000 1.018 408 V CA -0.558 61.856 62.300 0.190 0.000 0.814 408 V CB 1.254 33.199 31.823 0.203 0.000 1.021 408 V HN 0.853 nan 8.190 nan 0.000 0.440 409 D N 2.883 123.340 120.400 0.095 0.000 2.348 409 D HA 0.104 4.748 4.640 0.007 0.000 0.211 409 D C 1.338 177.664 176.300 0.043 0.000 0.998 409 D CA 0.480 54.522 54.000 0.069 0.000 0.873 409 D CB 0.640 41.477 40.800 0.063 0.000 0.925 409 D HN 0.671 nan 8.370 nan 0.000 0.524 410 A N 1.092 123.928 122.820 0.027 0.000 2.548 410 A HA 0.153 4.477 4.320 0.007 0.000 0.247 410 A C 0.369 177.943 177.584 -0.016 0.000 1.067 410 A CA 0.056 52.089 52.037 -0.007 0.000 0.757 410 A CB 0.339 19.315 19.000 -0.041 0.000 0.996 410 A HN -0.027 nan 8.150 nan 0.000 0.504 411 V N 3.896 123.800 119.914 -0.016 0.000 2.348 411 V HA 0.232 4.357 4.120 0.007 0.000 0.270 411 V C 0.569 176.633 176.094 -0.050 0.000 1.037 411 V CA 0.507 62.798 62.300 -0.016 0.000 0.872 411 V CB 0.442 32.266 31.823 0.001 0.000 1.002 411 V HN 1.111 nan 8.190 nan 0.000 0.464 412 D N 3.240 123.595 120.400 -0.076 0.000 2.751 412 D HA -0.197 4.447 4.640 0.007 0.000 0.233 412 D C 0.283 176.452 176.300 -0.218 0.000 1.149 412 D CA 1.271 55.187 54.000 -0.140 0.000 0.682 412 D CB -0.382 40.363 40.800 -0.092 0.000 1.068 412 D HN 0.807 nan 8.370 nan 0.000 0.429 413 Q N -0.905 118.760 119.800 -0.226 0.000 2.301 413 Q HA 0.508 4.852 4.340 0.007 0.000 0.267 413 Q C -0.431 175.364 176.000 -0.341 0.000 1.035 413 Q CA -0.930 54.743 55.803 -0.216 0.000 0.856 413 Q CB 0.951 29.635 28.738 -0.090 0.000 1.337 413 Q HN 0.261 nan 8.270 nan 0.000 0.450 414 W N 1.847 123.022 121.300 -0.210 0.000 2.304 414 W HA 0.189 4.853 4.660 0.007 0.000 0.313 414 W C 0.257 176.445 176.519 -0.551 0.000 1.323 414 W CA -0.094 57.014 57.345 -0.396 0.000 1.223 414 W CB 0.815 30.047 29.460 -0.380 0.000 1.237 414 W HN 0.407 nan 8.180 nan 0.000 0.535 415 T N 0.983 115.233 114.554 -0.506 0.000 2.797 415 T HA 0.498 4.852 4.350 0.007 0.000 0.279 415 T C -1.064 173.113 174.700 -0.870 0.000 0.991 415 T CA -0.831 60.895 62.100 -0.624 0.000 0.979 415 T CB 0.787 69.322 68.868 -0.555 0.000 0.943 415 T HN 0.198 nan 8.240 nan 0.000 0.444 416 Y N 1.200 121.077 120.300 -0.705 0.000 2.330 416 Y HA 0.584 5.139 4.550 0.007 0.000 0.336 416 Y C -0.632 174.648 175.900 -1.033 0.000 1.036 416 Y CA -1.024 56.696 58.100 -0.633 0.000 1.125 416 Y CB 1.336 39.608 38.460 -0.314 0.000 1.194 416 Y HN 0.691 nan 8.280 nan 0.000 0.469 417 W N 5.023 126.298 121.300 -0.041 0.000 2.715 417 W HA 0.533 5.198 4.660 0.008 0.000 0.331 417 W C -1.472 175.022 176.519 -0.041 0.000 1.031 417 W CA -0.722 56.622 57.345 -0.000 0.000 1.237 417 W CB 1.355 30.813 29.460 -0.004 0.000 1.378 417 W HN 0.240 nan 8.180 nan 0.000 0.454 418 L N 5.364 126.690 121.223 0.171 0.000 2.262 418 L HA 0.597 4.942 4.340 0.007 0.000 0.288 418 L C -0.875 176.138 176.870 0.239 0.000 1.035 418 L CA -0.615 54.285 54.840 0.100 0.000 0.820 418 L CB 0.115 42.167 42.059 -0.012 0.000 1.204 418 L HN 0.313 nan 8.230 nan 0.000 0.424 419 I N 4.599 125.339 120.570 0.283 0.000 2.321 419 I HA 0.351 4.526 4.170 0.007 0.000 0.291 419 I C -0.053 176.251 176.117 0.313 0.000 0.998 419 I CA -0.095 61.389 61.300 0.305 0.000 1.227 419 I CB 1.257 39.458 38.000 0.336 0.000 1.368 419 I HN 0.553 nan 8.210 nan 0.000 0.466 420 E N 4.501 124.867 120.200 0.276 0.000 2.166 420 E HA 0.271 4.626 4.350 0.007 0.000 0.275 420 E C -0.550 176.199 176.600 0.249 0.000 0.941 420 E CA -0.751 55.827 56.400 0.296 0.000 0.784 420 E CB 1.300 31.151 29.700 0.253 0.000 1.115 420 E HN 0.305 nan 8.360 nan 0.000 0.399 421 N N 3.255 122.114 118.700 0.266 0.000 3.034 421 N HA -0.000 4.744 4.740 0.007 0.000 0.265 421 N C -0.872 174.769 175.510 0.219 0.000 1.166 421 N CA -0.064 53.135 53.050 0.249 0.000 1.081 421 N CB -0.163 38.475 38.487 0.252 0.000 1.378 421 N HN 0.463 nan 8.380 nan 0.000 0.520 422 D N 1.373 121.886 120.400 0.189 0.000 2.755 422 D HA -0.171 4.474 4.640 0.007 0.000 0.227 422 D C -1.550 174.822 176.300 0.119 0.000 1.211 422 D CA 0.005 54.085 54.000 0.134 0.000 0.663 422 D CB 0.150 41.019 40.800 0.115 0.000 0.983 422 D HN 0.386 nan 8.370 nan 0.000 0.407 423 P HA -0.126 nan 4.420 nan 0.000 0.216 423 P C 0.951 178.300 177.300 0.083 0.000 1.150 423 P CA 0.978 64.154 63.100 0.128 0.000 0.837 423 P CB 0.260 32.055 31.700 0.159 0.000 0.786 424 E N -0.688 119.553 120.200 0.069 0.000 2.479 424 E HA 0.178 4.533 4.350 0.007 0.000 0.193 424 E C 1.251 177.871 176.600 0.033 0.000 1.049 424 E CA 0.097 56.525 56.400 0.046 0.000 0.870 424 E CB -0.365 29.359 29.700 0.040 0.000 0.944 424 E HN 0.157 nan 8.360 nan 0.000 0.492 425 G N 2.097 110.916 108.800 0.032 0.000 2.599 425 G HA2 0.224 4.188 3.960 0.007 0.000 0.264 425 G HA3 0.224 4.188 3.960 0.007 0.000 0.264 425 G C -1.588 173.334 174.900 0.037 0.000 1.200 425 G CA -0.953 44.151 45.100 0.006 0.000 0.896 425 G HN -0.110 nan 8.290 nan 0.000 0.536 426 P HA 0.021 nan 4.420 nan 0.000 0.214 426 P C -0.033 177.447 177.300 0.300 0.000 1.163 426 P CA 1.120 64.321 63.100 0.168 0.000 0.883 426 P CB 0.020 31.861 31.700 0.236 0.000 0.788 427 F N -4.050 115.932 119.950 0.052 0.000 2.631 427 F HA 0.758 5.289 4.527 0.007 0.000 0.308 427 F C -0.904 174.974 175.800 0.129 0.000 1.097 427 F CA -1.594 56.455 58.000 0.081 0.000 0.952 427 F CB 1.017 40.068 39.000 0.085 0.000 1.307 427 F HN -0.398 nan 8.300 nan 0.000 0.450 428 S N 2.784 118.593 115.700 0.181 0.000 2.521 428 S HA 0.848 5.322 4.470 0.007 0.000 0.295 428 S C -1.340 173.359 174.600 0.165 0.000 1.098 428 S CA -0.616 57.661 58.200 0.128 0.000 0.999 428 S CB 1.000 64.281 63.200 0.135 0.000 1.034 428 S HN 0.748 nan 8.310 nan 0.000 0.483 429 L N 4.168 125.457 121.223 0.110 0.000 2.330 429 L HA 0.586 4.930 4.340 0.007 0.000 0.271 429 L C -2.416 174.248 176.870 -0.343 0.000 1.013 429 L CA -2.673 52.148 54.840 -0.031 0.000 0.816 429 L CB 2.108 44.189 42.059 0.038 0.000 1.287 429 L HN 0.442 nan 8.230 nan 0.000 0.435 430 P HA 0.149 nan 4.420 nan 0.000 0.275 430 P C -1.323 175.722 177.300 -0.426 0.000 1.227 430 P CA -0.003 62.944 63.100 -0.254 0.000 0.781 430 P CB 0.474 32.077 31.700 -0.161 0.000 0.906 431 H N 2.804 121.908 119.070 0.056 0.000 2.658 431 H HA 0.244 4.804 4.556 0.007 0.000 0.337 431 H C -2.347 173.064 175.328 0.138 0.000 1.009 431 H CA -2.098 53.995 56.048 0.075 0.000 1.231 431 H CB 1.837 31.583 29.762 -0.027 0.000 1.508 431 H HN 0.265 nan 8.280 nan 0.000 0.517 432 P HA 0.078 nan 4.420 nan 0.000 0.266 432 P C -0.128 177.295 177.300 0.204 0.000 1.586 432 P CA -0.455 62.815 63.100 0.284 0.000 1.088 432 P CB 0.170 32.016 31.700 0.243 0.000 1.584 433 M N 3.405 123.102 119.600 0.162 0.000 2.217 433 M HA 0.161 4.646 4.480 0.007 0.000 0.352 433 M C 0.342 176.779 176.300 0.228 0.000 1.376 433 M CA 0.023 55.325 55.300 0.004 0.000 1.107 433 M CB -0.824 31.719 32.600 -0.095 0.000 1.723 433 M HN 0.400 nan 8.290 nan 0.000 0.461 434 H N 2.794 121.831 119.070 -0.055 0.000 2.600 434 H HA 0.697 5.258 4.556 0.007 0.000 0.357 434 H C -2.027 173.433 175.328 0.220 0.000 1.106 434 H CA -0.874 55.247 56.048 0.122 0.000 1.193 434 H CB 1.341 31.114 29.762 0.018 0.000 1.594 434 H HN 0.585 nan 8.280 nan 0.000 0.526 435 L N 5.295 126.420 121.223 -0.164 0.000 2.341 435 L HA 0.370 4.714 4.340 0.007 0.000 0.278 435 L C -0.870 175.748 176.870 -0.420 0.000 1.005 435 L CA -0.275 54.539 54.840 -0.043 0.000 0.818 435 L CB 1.036 43.248 42.059 0.256 0.000 1.259 435 L HN 0.815 nan 8.230 nan 0.000 0.418 436 H N 3.616 122.483 119.070 -0.338 0.000 2.511 436 H HA 0.374 4.934 4.556 0.007 0.000 0.346 436 H C 0.928 175.957 175.328 -0.499 0.000 1.128 436 H CA 0.128 56.064 56.048 -0.186 0.000 1.342 436 H CB 1.245 31.104 29.762 0.160 0.000 1.470 436 H HN 0.951 nan 8.280 nan 0.000 0.546 437 G N 1.698 110.085 108.800 -0.688 0.000 2.220 437 G HA2 -0.245 3.719 3.960 0.007 0.000 0.269 437 G HA3 -0.245 3.719 3.960 0.007 0.000 0.269 437 G C 0.116 174.054 174.900 -1.604 0.000 0.977 437 G CA 0.454 44.555 45.100 -1.665 0.000 0.634 437 G HN 0.783 nan 8.290 nan 0.000 0.539 438 H N -0.641 117.812 119.070 -1.030 0.000 2.990 438 H HA 0.467 5.027 4.556 0.007 0.000 0.343 438 H C -1.513 173.333 175.328 -0.804 0.000 1.270 438 H CA -0.759 54.666 56.048 -1.038 0.000 1.118 438 H CB 1.633 30.948 29.762 -0.745 0.000 1.861 438 H HN 0.144 nan 8.280 nan 0.000 0.544 439 D N 1.634 121.780 120.400 -0.424 0.000 2.308 439 D HA 0.222 4.866 4.640 0.007 0.000 0.242 439 D C -0.271 175.967 176.300 -0.103 0.000 1.059 439 D CA -0.299 53.550 54.000 -0.253 0.000 0.830 439 D CB 1.337 42.143 40.800 0.008 0.000 1.161 439 D HN 0.185 nan 8.370 nan 0.000 0.494 440 F N 0.269 120.258 119.950 0.064 0.000 2.457 440 F HA 0.579 5.111 4.527 0.007 0.000 0.330 440 F C -0.304 175.582 175.800 0.143 0.000 1.069 440 F CA -1.349 56.724 58.000 0.122 0.000 1.009 440 F CB 0.342 39.401 39.000 0.098 0.000 1.276 440 F HN 0.025 nan 8.300 nan 0.000 0.492 441 L N 2.126 123.629 121.223 0.468 0.000 2.275 441 L HA 0.456 4.800 4.340 0.007 0.000 0.288 441 L C -0.684 176.347 176.870 0.268 0.000 1.046 441 L CA -1.178 53.828 54.840 0.276 0.000 0.805 441 L CB 1.669 43.773 42.059 0.075 0.000 1.193 441 L HN 0.466 nan 8.230 nan 0.000 0.426 442 V N 5.506 125.572 119.914 0.254 0.000 2.299 442 V HA 0.086 4.211 4.120 0.007 0.000 0.255 442 V C 1.269 177.428 176.094 0.109 0.000 1.100 442 V CA -0.162 62.248 62.300 0.183 0.000 0.938 442 V CB 0.543 32.495 31.823 0.216 0.000 1.139 442 V HN 0.720 nan 8.190 nan 0.000 0.490 443 L N 3.227 124.498 121.223 0.079 0.000 2.156 443 L HA 0.299 4.643 4.340 0.007 0.000 0.208 443 L C 1.201 178.130 176.870 0.100 0.000 1.095 443 L CA 1.211 56.090 54.840 0.066 0.000 0.770 443 L CB -0.254 41.828 42.059 0.040 0.000 0.914 443 L HN 0.791 nan 8.230 nan 0.000 0.439 444 G N -0.267 108.606 108.800 0.123 0.000 2.325 444 G HA2 0.423 4.387 3.960 0.007 0.000 0.297 444 G HA3 0.423 4.387 3.960 0.007 0.000 0.297 444 G C -1.611 173.308 174.900 0.031 0.000 1.448 444 G CA -0.804 44.368 45.100 0.121 0.000 0.838 444 G HN 0.164 nan 8.290 nan 0.000 0.579 445 R N -1.493 118.831 120.500 -0.294 0.000 2.795 445 R HA 0.804 5.148 4.340 0.007 0.000 0.268 445 R C 0.165 175.679 176.300 -1.311 0.000 1.041 445 R CA -0.331 55.297 56.100 -0.786 0.000 0.927 445 R CB 0.903 30.971 30.300 -0.386 0.000 1.235 445 R HN 1.082 nan 8.270 nan 0.000 0.463 446 S N 0.337 115.056 115.700 -1.635 0.000 2.573 446 S HA 0.211 4.686 4.470 0.007 0.000 0.277 446 S C -2.190 171.929 174.600 -0.801 0.000 1.346 446 S CA -0.925 56.499 58.200 -1.294 0.000 1.034 446 S CB 0.056 62.657 63.200 -0.998 0.000 0.879 446 S HN 0.451 nan 8.310 nan 0.000 0.528 447 P HA 0.051 nan 4.420 nan 0.000 0.261 447 P C -0.803 176.278 177.300 -0.365 0.000 1.173 447 P CA 0.270 63.029 63.100 -0.569 0.000 0.760 447 P CB 0.105 31.418 31.700 -0.645 0.000 0.783 448 D N 2.551 122.823 120.400 -0.213 0.000 2.346 448 D HA 0.111 4.756 4.640 0.007 0.000 0.267 448 D C 0.384 176.649 176.300 -0.059 0.000 1.320 448 D CA 0.406 54.331 54.000 -0.126 0.000 0.951 448 D CB -0.156 40.580 40.800 -0.106 0.000 1.079 448 D HN 0.029 nan 8.370 nan 0.000 0.509 449 V N 0.649 120.559 119.914 -0.006 0.000 3.113 449 V HA 0.724 4.848 4.120 0.007 0.000 0.316 449 V C -2.625 173.489 176.094 0.033 0.000 1.125 449 V CA -2.667 59.668 62.300 0.059 0.000 1.026 449 V CB 1.549 33.488 31.823 0.193 0.000 1.080 449 V HN 0.072 nan 8.190 nan 0.000 0.444 450 P HA 0.284 nan 4.420 nan 0.000 0.267 450 P C 0.742 178.060 177.300 0.030 0.000 1.205 450 P CA 0.551 63.665 63.100 0.023 0.000 0.765 450 P CB 1.122 32.838 31.700 0.028 0.000 0.828 451 A N 4.355 127.182 122.820 0.012 0.000 1.986 451 A HA -0.190 4.134 4.320 0.007 0.000 0.220 451 A C 1.849 179.458 177.584 0.042 0.000 1.171 451 A CA 2.177 54.222 52.037 0.013 0.000 0.640 451 A CB -1.203 17.788 19.000 -0.015 0.000 0.811 451 A HN 0.548 nan 8.150 nan 0.000 0.451 452 A N -0.230 122.619 122.820 0.047 0.000 2.345 452 A HA 0.316 4.640 4.320 0.007 0.000 0.225 452 A C 1.995 179.613 177.584 0.056 0.000 1.243 452 A CA 1.027 53.101 52.037 0.060 0.000 0.875 452 A CB -0.586 18.449 19.000 0.058 0.000 0.929 452 A HN 0.869 nan 8.150 nan 0.000 0.502 453 S N -0.815 114.916 115.700 0.051 0.000 2.447 453 S HA -0.149 4.325 4.470 0.007 0.000 0.233 453 S C 0.908 175.533 174.600 0.041 0.000 1.006 453 S CA 0.992 59.218 58.200 0.043 0.000 0.957 453 S CB -0.247 62.979 63.200 0.043 0.000 0.773 453 S HN 0.509 nan 8.310 nan 0.000 0.507 454 Q N 0.051 119.886 119.800 0.057 0.000 2.494 454 Q HA -0.182 4.163 4.340 0.007 0.000 0.266 454 Q C -0.736 175.273 176.000 0.015 0.000 1.053 454 Q CA 0.888 56.727 55.803 0.060 0.000 1.029 454 Q CB -2.321 26.462 28.738 0.074 0.000 1.423 454 Q HN 0.827 nan 8.270 nan 0.000 0.516 455 Q N 0.907 120.701 119.800 -0.010 0.000 2.296 455 Q HA 0.227 4.571 4.340 0.007 0.000 0.262 455 Q C 0.195 176.072 176.000 -0.205 0.000 0.981 455 Q CA -0.104 55.618 55.803 -0.135 0.000 0.905 455 Q CB 0.795 29.458 28.738 -0.125 0.000 1.186 455 Q HN 0.016 nan 8.270 nan 0.000 0.399 456 R N 2.470 122.787 120.500 -0.304 0.000 2.428 456 R HA 0.512 4.856 4.340 0.007 0.000 0.294 456 R C -0.818 175.218 176.300 -0.440 0.000 1.000 456 R CA -0.328 55.650 56.100 -0.204 0.000 0.960 456 R CB 0.517 30.776 30.300 -0.068 0.000 1.076 456 R HN 0.442 nan 8.270 nan 0.000 0.475 457 F N 0.300 120.350 119.950 0.166 0.000 2.557 457 F HA 0.361 4.892 4.527 0.007 0.000 0.316 457 F C -0.250 175.780 175.800 0.384 0.000 1.141 457 F CA -0.904 57.245 58.000 0.249 0.000 0.922 457 F CB 2.010 41.158 39.000 0.247 0.000 1.194 457 F HN 0.014 nan 8.300 nan 0.000 0.443 458 V N 3.274 123.481 119.914 0.488 0.000 2.555 458 V HA 0.297 4.421 4.120 0.007 0.000 0.302 458 V C -0.395 175.840 176.094 0.235 0.000 1.038 458 V CA -1.132 61.379 62.300 0.351 0.000 0.887 458 V CB 1.922 33.862 31.823 0.196 0.000 0.991 458 V HN 0.587 nan 8.190 nan 0.000 0.434 459 F N 3.976 123.794 119.950 -0.221 0.000 2.569 459 F HA 0.151 4.683 4.527 0.007 0.000 0.395 459 F C 0.320 175.993 175.800 -0.211 0.000 1.028 459 F CA 0.411 58.065 58.000 -0.577 0.000 1.158 459 F CB 0.153 38.694 39.000 -0.764 0.000 1.023 459 F HN 0.617 nan 8.300 nan 0.000 0.547 460 D N 8.686 128.723 120.400 -0.605 0.000 2.462 460 D HA 0.344 4.989 4.640 0.007 0.000 0.245 460 D C -2.069 173.880 176.300 -0.584 0.000 1.122 460 D CA -2.464 51.310 54.000 -0.377 0.000 0.864 460 D CB 1.844 42.560 40.800 -0.141 0.000 1.098 460 D HN 0.166 nan 8.370 nan 0.000 0.541 461 P HA -0.118 nan 4.420 nan 0.000 0.218 461 P C 0.957 178.138 177.300 -0.197 0.000 1.146 461 P CA 1.111 64.020 63.100 -0.318 0.000 0.813 461 P CB 0.299 31.940 31.700 -0.099 0.000 0.778 462 A N -0.845 121.883 122.820 -0.153 0.000 2.015 462 A HA -0.103 4.221 4.320 0.007 0.000 0.219 462 A C 2.010 179.545 177.584 -0.080 0.000 1.163 462 A CA 2.194 54.177 52.037 -0.090 0.000 0.646 462 A CB -1.177 17.785 19.000 -0.062 0.000 0.806 462 A HN 0.231 nan 8.150 nan 0.000 0.448 463 V N -4.744 115.105 119.914 -0.108 0.000 3.473 463 V HA 0.149 4.274 4.120 0.007 0.000 0.253 463 V C 1.183 177.232 176.094 -0.074 0.000 1.340 463 V CA 0.834 63.095 62.300 -0.065 0.000 1.103 463 V CB -0.179 31.631 31.823 -0.022 0.000 0.881 463 V HN 0.222 nan 8.190 nan 0.000 0.451 464 D N 0.765 121.052 120.400 -0.189 0.000 2.289 464 D HA 0.094 4.738 4.640 0.007 0.000 0.207 464 D C 2.109 178.365 176.300 -0.073 0.000 0.966 464 D CA 0.564 54.464 54.000 -0.167 0.000 0.868 464 D CB 0.384 40.866 40.800 -0.530 0.000 0.943 464 D HN 0.256 nan 8.370 nan 0.000 0.514 465 L N 1.051 122.213 121.223 -0.103 0.000 2.093 465 L HA -0.058 4.287 4.340 0.007 0.000 0.208 465 L C 2.185 179.088 176.870 0.054 0.000 1.085 465 L CA 1.058 55.923 54.840 0.042 0.000 0.755 465 L CB -0.874 41.199 42.059 0.023 0.000 0.904 465 L HN -0.071 nan 8.230 nan 0.000 0.435 466 A N -0.995 121.839 122.820 0.022 0.000 2.167 466 A HA -0.100 4.225 4.320 0.007 0.000 0.214 466 A C 2.194 179.802 177.584 0.039 0.000 1.151 466 A CA 0.473 52.525 52.037 0.024 0.000 0.735 466 A CB -0.308 18.696 19.000 0.007 0.000 0.802 466 A HN 0.348 nan 8.150 nan 0.000 0.467 467 R N -0.784 119.754 120.500 0.063 0.000 2.276 467 R HA 0.255 4.599 4.340 0.007 0.000 0.196 467 R C -0.274 176.091 176.300 0.107 0.000 0.961 467 R CA -0.119 56.028 56.100 0.078 0.000 1.024 467 R CB -0.101 30.256 30.300 0.095 0.000 0.940 467 R HN 0.399 nan 8.270 nan 0.000 0.480 468 L N 1.260 122.562 121.223 0.131 0.000 2.395 468 L HA 0.171 4.515 4.340 0.007 0.000 0.269 468 L C 0.010 176.923 176.870 0.072 0.000 1.133 468 L CA -0.492 54.426 54.840 0.130 0.000 0.812 468 L CB 0.435 42.582 42.059 0.146 0.000 1.125 468 L HN -0.066 nan 8.230 nan 0.000 0.452 469 N N 0.577 119.312 118.700 0.058 0.000 2.442 469 N HA 0.393 5.137 4.740 0.007 0.000 0.274 469 N C 0.176 175.694 175.510 0.012 0.000 1.002 469 N CA -0.351 52.719 53.050 0.032 0.000 0.910 469 N CB 1.936 40.442 38.487 0.033 0.000 1.244 469 N HN 0.631 nan 8.380 nan 0.000 0.492 470 G N 1.412 110.207 108.800 -0.007 0.000 3.192 470 G HA2 0.008 3.972 3.960 0.007 0.000 0.239 470 G HA3 0.008 3.972 3.960 0.007 0.000 0.239 470 G C -0.218 174.646 174.900 -0.061 0.000 1.084 470 G CA -0.197 44.875 45.100 -0.047 0.000 0.784 470 G HN 0.565 nan 8.290 nan 0.000 0.540 471 D N 1.081 121.465 120.400 -0.028 0.000 2.479 471 D HA 0.177 4.822 4.640 0.007 0.000 0.218 471 D C 0.546 176.842 176.300 -0.007 0.000 1.131 471 D CA -0.585 53.403 54.000 -0.019 0.000 0.916 471 D CB -0.188 40.610 40.800 -0.004 0.000 1.022 471 D HN 0.018 nan 8.370 nan 0.000 0.515 472 N N 2.750 121.441 118.700 -0.015 0.000 2.688 472 N HA -0.128 4.616 4.740 0.007 0.000 0.258 472 N C -2.483 173.041 175.510 0.024 0.000 1.016 472 N CA 0.319 53.374 53.050 0.007 0.000 0.747 472 N CB -0.320 38.182 38.487 0.025 0.000 0.895 472 N HN 0.308 nan 8.380 nan 0.000 0.543 473 P HA 0.271 nan 4.420 nan 0.000 0.275 473 P C -2.607 174.738 177.300 0.076 0.000 1.266 473 P CA -1.117 62.010 63.100 0.045 0.000 0.793 473 P CB 0.081 31.803 31.700 0.036 0.000 1.074 474 P HA 0.145 nan 4.420 nan 0.000 0.263 474 P C -0.115 177.272 177.300 0.145 0.000 1.195 474 P CA 0.665 63.839 63.100 0.123 0.000 0.762 474 P CB 0.175 31.962 31.700 0.146 0.000 0.799 475 R N 4.542 125.112 120.500 0.115 0.000 2.360 475 R HA 0.536 4.880 4.340 0.007 0.000 0.318 475 R C 0.063 176.381 176.300 0.028 0.000 0.950 475 R CA -0.602 55.561 56.100 0.105 0.000 0.837 475 R CB 0.621 30.993 30.300 0.119 0.000 1.165 475 R HN 0.573 nan 8.270 nan 0.000 0.458 476 R N 1.148 121.595 120.500 -0.088 0.000 2.826 476 R HA 0.193 4.537 4.340 0.007 0.000 0.269 476 R C -0.891 175.056 176.300 -0.589 0.000 1.031 476 R CA -0.630 55.347 56.100 -0.204 0.000 0.900 476 R CB 0.255 30.494 30.300 -0.101 0.000 1.318 476 R HN 0.514 nan 8.270 nan 0.000 0.447 477 D N -0.904 119.254 120.400 -0.403 0.000 2.389 477 D HA 0.116 4.760 4.640 0.007 0.000 0.206 477 D C -0.429 175.802 176.300 -0.114 0.000 1.055 477 D CA 0.281 54.018 54.000 -0.437 0.000 0.856 477 D CB 0.709 41.493 40.800 -0.025 0.000 0.957 477 D HN 0.428 nan 8.370 nan 0.000 0.509 478 T N -0.687 113.912 114.554 0.075 0.000 2.921 478 T HA 0.596 4.951 4.350 0.007 0.000 0.297 478 T C -1.054 173.886 174.700 0.399 0.000 1.013 478 T CA -0.690 61.638 62.100 0.379 0.000 0.990 478 T CB 2.179 71.195 68.868 0.247 0.000 1.023 478 T HN -0.012 nan 8.240 nan 0.000 0.447 479 T N 2.206 117.071 114.554 0.518 0.000 2.821 479 T HA 0.560 4.914 4.350 0.007 0.000 0.306 479 T C -1.287 173.590 174.700 0.295 0.000 1.313 479 T CA -0.823 61.510 62.100 0.389 0.000 1.012 479 T CB 1.022 70.153 68.868 0.438 0.000 1.298 479 T HN 0.362 nan 8.240 nan 0.000 0.502 480 M N 3.119 122.865 119.600 0.244 0.000 2.180 480 M HA 0.402 4.887 4.480 0.007 0.000 0.358 480 M C -0.478 175.896 176.300 0.124 0.000 1.233 480 M CA -0.839 54.578 55.300 0.195 0.000 1.114 480 M CB 0.490 33.188 32.600 0.164 0.000 1.594 480 M HN 0.500 nan 8.290 nan 0.000 0.467 481 L N 7.386 128.690 121.223 0.135 0.000 2.261 481 L HA 0.490 4.835 4.340 0.007 0.000 0.289 481 L C -2.420 174.495 176.870 0.076 0.000 1.059 481 L CA -1.529 53.384 54.840 0.122 0.000 0.816 481 L CB 0.710 42.879 42.059 0.185 0.000 1.191 481 L HN 0.368 nan 8.230 nan 0.000 0.431 482 P HA 0.156 nan 4.420 nan 0.000 0.269 482 P C -0.933 176.394 177.300 0.046 0.000 1.209 482 P CA -0.224 62.873 63.100 -0.005 0.000 0.776 482 P CB 0.571 32.229 31.700 -0.069 0.000 0.876 483 A N 3.062 125.903 122.820 0.034 0.000 2.524 483 A HA 0.418 4.742 4.320 0.007 0.000 0.250 483 A C 1.596 179.252 177.584 0.120 0.000 1.078 483 A CA 0.703 52.779 52.037 0.065 0.000 0.761 483 A CB -1.470 17.560 19.000 0.050 0.000 1.012 483 A HN 0.873 nan 8.150 nan 0.000 0.500 484 G N 1.493 110.380 108.800 0.145 0.000 2.189 484 G HA2 -0.077 3.888 3.960 0.007 0.000 0.267 484 G HA3 -0.077 3.888 3.960 0.007 0.000 0.267 484 G C 0.944 175.982 174.900 0.230 0.000 0.975 484 G CA 1.059 46.256 45.100 0.162 0.000 0.644 484 G HN 1.832 nan 8.290 nan 0.000 0.537 485 G N -0.830 108.115 108.800 0.242 0.000 3.194 485 G HA2 0.720 4.685 3.960 0.007 0.000 0.160 485 G HA3 0.720 4.685 3.960 0.007 0.000 0.160 485 G C 0.076 175.176 174.900 0.334 0.000 1.267 485 G CA -0.124 45.152 45.100 0.292 0.000 0.962 485 G HN 1.077 nan 8.290 nan 0.000 0.612 486 W N -2.064 119.358 121.300 0.203 0.000 3.042 486 W HA 0.762 5.426 4.660 0.007 0.000 0.342 486 W C -2.485 174.116 176.519 0.138 0.000 1.240 486 W CA -1.164 56.290 57.345 0.182 0.000 1.166 486 W CB 1.238 30.835 29.460 0.228 0.000 1.469 486 W HN 0.578 nan 8.180 nan 0.000 0.579 487 L N 2.744 124.242 121.223 0.458 0.000 2.493 487 L HA 0.614 4.959 4.340 0.007 0.000 0.265 487 L C -2.008 175.074 176.870 0.353 0.000 0.954 487 L CA -0.651 54.354 54.840 0.275 0.000 0.844 487 L CB 1.915 44.064 42.059 0.151 0.000 1.302 487 L HN 0.414 nan 8.230 nan 0.000 0.405 488 L N 5.639 127.045 121.223 0.305 0.000 2.298 488 L HA 0.693 5.037 4.340 0.007 0.000 0.284 488 L C -1.453 175.425 176.870 0.013 0.000 1.013 488 L CA -0.008 54.879 54.840 0.078 0.000 0.824 488 L CB 1.093 43.123 42.059 -0.048 0.000 1.221 488 L HN 0.615 nan 8.230 nan 0.000 0.418 489 L N 4.363 125.576 121.223 -0.017 0.000 2.319 489 L HA 0.985 5.330 4.340 0.007 0.000 0.267 489 L C -0.410 176.475 176.870 0.025 0.000 1.011 489 L CA -0.909 53.914 54.840 -0.028 0.000 0.818 489 L CB 1.950 43.883 42.059 -0.210 0.000 1.316 489 L HN 0.711 nan 8.230 nan 0.000 0.432 490 A N 1.771 124.639 122.820 0.079 0.000 2.455 490 A HA 0.826 5.151 4.320 0.007 0.000 0.300 490 A C -1.356 176.415 177.584 0.312 0.000 1.040 490 A CA -0.361 51.678 52.037 0.003 0.000 0.697 490 A CB 1.457 20.282 19.000 -0.292 0.000 1.265 490 A HN 0.589 nan 8.150 nan 0.000 0.407 491 F N -0.025 119.975 119.950 0.082 0.000 2.601 491 F HA 0.806 5.338 4.527 0.008 0.000 0.309 491 F C -0.522 175.096 175.800 -0.304 0.000 1.089 491 F CA -0.940 57.030 58.000 -0.049 0.000 0.940 491 F CB 1.546 40.342 39.000 -0.340 0.000 1.273 491 F HN 0.627 nan 8.300 nan 0.000 0.450 492 R N 1.443 121.621 120.500 -0.537 0.000 2.308 492 R HA 0.334 4.679 4.340 0.007 0.000 0.305 492 R C -0.029 176.037 176.300 -0.390 0.000 1.053 492 R CA -0.075 55.499 56.100 -0.877 0.000 0.957 492 R CB 1.161 30.626 30.300 -1.392 0.000 1.022 492 R HN 0.928 nan 8.270 nan 0.000 0.461 493 T N 0.633 114.982 114.554 -0.342 0.000 4.508 493 T HA 0.029 4.383 4.350 0.007 0.000 0.232 493 T C 0.125 174.836 174.700 0.018 0.000 1.027 493 T CA -0.561 61.493 62.100 -0.076 0.000 0.999 493 T CB -0.340 68.470 68.868 -0.096 0.000 1.402 493 T HN 0.627 nan 8.240 nan 0.000 1.003 494 D N -0.184 120.263 120.400 0.078 0.000 2.368 494 D HA 0.096 4.740 4.640 0.007 0.000 0.218 494 D C 0.188 176.542 176.300 0.090 0.000 1.112 494 D CA -0.491 53.535 54.000 0.042 0.000 0.834 494 D CB 0.056 40.836 40.800 -0.033 0.000 0.953 494 D HN 0.409 nan 8.370 nan 0.000 0.505 495 N N 0.761 119.570 118.700 0.181 0.000 2.685 495 N HA 0.261 5.005 4.740 0.007 0.000 0.252 495 N C -3.045 172.713 175.510 0.413 0.000 1.261 495 N CA -1.659 51.496 53.050 0.175 0.000 0.768 495 N CB 1.491 39.878 38.487 -0.167 0.000 1.304 495 N HN -0.213 nan 8.380 nan 0.000 0.536 496 P HA 0.307 nan 4.420 nan 0.000 0.263 496 P C 0.009 177.419 177.300 0.184 0.000 1.195 496 P CA 0.411 63.651 63.100 0.233 0.000 0.762 496 P CB 0.686 32.461 31.700 0.124 0.000 0.799 497 G N 1.744 110.549 108.800 0.010 0.000 2.316 497 G HA2 0.467 4.431 3.960 0.007 0.000 0.296 497 G HA3 0.467 4.431 3.960 0.007 0.000 0.296 497 G C -1.829 172.583 174.900 -0.813 0.000 1.399 497 G CA -0.268 44.502 45.100 -0.549 0.000 0.833 497 G HN 0.392 nan 8.290 nan 0.000 0.565 498 A N -0.221 122.054 122.820 -0.909 0.000 2.294 498 A HA 0.669 4.993 4.320 0.007 0.000 0.316 498 A C -0.964 176.218 177.584 -0.671 0.000 1.359 498 A CA -0.337 51.341 52.037 -0.598 0.000 0.956 498 A CB -0.284 18.471 19.000 -0.408 0.000 1.155 498 A HN 0.647 nan 8.150 nan 0.000 0.544 499 W N 3.191 124.477 121.300 -0.023 0.000 2.417 499 W HA 0.532 5.196 4.660 0.007 0.000 0.315 499 W C -0.293 176.150 176.519 -0.127 0.000 1.045 499 W CA -0.741 56.584 57.345 -0.035 0.000 1.221 499 W CB 1.193 30.678 29.460 0.041 0.000 1.309 499 W HN 0.413 nan 8.180 nan 0.000 0.453 500 L N 3.739 124.882 121.223 -0.134 0.000 2.416 500 L HA 0.287 4.632 4.340 0.007 0.000 0.272 500 L C -0.422 176.400 176.870 -0.080 0.000 1.161 500 L CA -0.329 54.327 54.840 -0.307 0.000 0.845 500 L CB 0.266 41.908 42.059 -0.695 0.000 1.119 500 L HN 0.346 nan 8.230 nan 0.000 0.464 501 F N 4.089 123.922 119.950 -0.195 0.000 2.500 501 F HA 0.444 4.976 4.527 0.008 0.000 0.349 501 F C -0.263 175.497 175.800 -0.066 0.000 1.127 501 F CA -0.526 57.391 58.000 -0.137 0.000 0.998 501 F CB 0.469 39.363 39.000 -0.178 0.000 1.237 501 F HN 0.567 nan 8.300 nan 0.000 0.439 502 H N 2.108 120.921 119.070 -0.428 0.000 2.977 502 H HA 0.548 5.109 4.556 0.008 0.000 0.350 502 H C -1.230 173.943 175.328 -0.258 0.000 1.238 502 H CA -1.428 54.409 56.048 -0.352 0.000 1.124 502 H CB 0.996 30.657 29.762 -0.169 0.000 1.866 502 H HN 0.624 nan 8.280 nan 0.000 0.550 503 C N 1.902 121.165 119.300 -0.062 0.000 2.527 503 C HA 0.148 4.612 4.460 0.007 0.000 0.396 503 C C 1.323 176.433 174.990 0.201 0.000 1.289 503 C CA -0.189 58.830 59.018 0.003 0.000 2.047 503 C CB -0.694 27.012 27.740 -0.057 0.000 2.568 503 C HN 1.018 nan 8.230 nan 0.000 0.573 504 H N 3.601 122.744 119.070 0.121 0.000 2.539 504 H HA 0.260 4.820 4.556 0.008 0.000 0.267 504 H C 0.532 175.869 175.328 0.015 0.000 0.982 504 H CA 0.497 56.641 56.048 0.160 0.000 1.146 504 H CB 0.106 29.942 29.762 0.124 0.000 1.382 504 H HN 0.657 nan 8.280 nan 0.000 0.577 505 I N 1.408 121.983 120.570 0.010 0.000 2.421 505 I HA -0.041 4.134 4.170 0.007 0.000 0.291 505 I C 1.652 177.551 176.117 -0.364 0.000 1.089 505 I CA -0.170 60.958 61.300 -0.287 0.000 1.354 505 I CB 1.224 38.907 38.000 -0.528 0.000 1.413 505 I HN 0.117 nan 8.210 nan 0.000 0.513 506 A N 7.141 129.624 122.820 -0.562 0.000 1.958 506 A HA -0.195 4.129 4.320 0.007 0.000 0.221 506 A C 1.833 179.299 177.584 -0.196 0.000 1.178 506 A CA 1.634 53.370 52.037 -0.502 0.000 0.642 506 A CB -0.659 17.808 19.000 -0.887 0.000 0.816 506 A HN 0.927 nan 8.150 nan 0.000 0.453 507 W N -1.470 119.781 121.300 -0.081 0.000 2.402 507 W HA -0.075 4.590 4.660 0.009 0.000 0.286 507 W C 2.225 178.854 176.519 0.183 0.000 1.221 507 W CA 0.699 58.057 57.345 0.022 0.000 1.257 507 W CB -0.443 29.018 29.460 0.002 0.000 1.120 507 W HN 0.529 nan 8.180 nan 0.000 0.551 508 H N -0.783 118.351 119.070 0.106 0.000 2.384 508 H HA -0.093 4.467 4.556 0.007 0.000 0.300 508 H C 2.395 177.682 175.328 -0.067 0.000 1.057 508 H CA 1.031 56.995 56.048 -0.140 0.000 1.370 508 H CB -0.261 29.201 29.762 -0.500 0.000 1.417 508 H HN -0.030 nan 8.280 nan 0.000 0.527 509 V N 0.305 120.260 119.914 0.068 0.000 2.626 509 V HA -0.196 3.929 4.120 0.007 0.000 0.252 509 V C 2.054 178.170 176.094 0.037 0.000 1.067 509 V CA 1.635 63.940 62.300 0.007 0.000 1.081 509 V CB -0.178 31.601 31.823 -0.074 0.000 0.686 509 V HN 0.305 nan 8.190 nan 0.000 0.468 510 S N 0.483 116.244 115.700 0.102 0.000 2.368 510 S HA -0.058 4.417 4.470 0.007 0.000 0.224 510 S C 1.779 176.467 174.600 0.147 0.000 1.029 510 S CA 1.250 59.523 58.200 0.123 0.000 0.988 510 S CB -0.492 62.826 63.200 0.197 0.000 0.838 510 S HN 0.764 nan 8.310 nan 0.000 0.462 511 G N -0.311 108.639 108.800 0.251 0.000 2.848 511 G HA2 0.355 4.319 3.960 0.007 0.000 0.208 511 G HA3 0.355 4.319 3.960 0.007 0.000 0.208 511 G C 0.898 175.947 174.900 0.249 0.000 1.152 511 G CA 0.517 45.806 45.100 0.314 0.000 0.789 511 G HN 0.794 nan 8.290 nan 0.000 0.531 512 G N -0.657 108.234 108.800 0.152 0.000 2.184 512 G HA2 -0.226 3.739 3.960 0.007 0.000 0.206 512 G HA3 -0.226 3.739 3.960 0.007 0.000 0.206 512 G C 0.414 175.350 174.900 0.060 0.000 0.995 512 G CA -0.037 45.112 45.100 0.081 0.000 0.651 512 G HN 0.470 nan 8.290 nan 0.000 0.511 513 L N 2.317 123.573 121.223 0.055 0.000 2.415 513 L HA 0.586 4.931 4.340 0.007 0.000 0.269 513 L C 0.440 177.256 176.870 -0.090 0.000 1.244 513 L CA 0.613 55.421 54.840 -0.054 0.000 1.113 513 L CB 0.149 42.058 42.059 -0.250 0.000 1.352 513 L HN 0.288 nan 8.230 nan 0.000 0.433 514 S N 1.839 117.486 115.700 -0.089 0.000 2.578 514 S HA 0.674 5.149 4.470 0.007 0.000 0.272 514 S C -0.931 173.586 174.600 -0.140 0.000 1.145 514 S CA -0.481 57.649 58.200 -0.116 0.000 0.835 514 S CB 1.522 64.651 63.200 -0.117 0.000 1.104 514 S HN 0.231 nan 8.310 nan 0.000 0.458 515 V N 0.368 120.171 119.914 -0.185 0.000 3.158 515 V HA 0.865 4.990 4.120 0.007 0.000 0.311 515 V C -1.448 174.450 176.094 -0.326 0.000 1.181 515 V CA -0.760 61.377 62.300 -0.272 0.000 1.054 515 V CB 1.992 33.580 31.823 -0.391 0.000 1.085 515 V HN 0.839 nan 8.190 nan 0.000 0.446 516 D N 0.570 120.748 120.400 -0.370 0.000 2.473 516 D HA 0.410 5.054 4.640 0.007 0.000 0.253 516 D C -1.357 174.772 176.300 -0.285 0.000 1.233 516 D CA -0.415 53.404 54.000 -0.301 0.000 0.908 516 D CB 1.067 41.708 40.800 -0.266 0.000 1.170 516 D HN 0.374 nan 8.370 nan 0.000 0.558 517 F N 3.364 123.254 119.950 -0.101 0.000 2.468 517 F HA 0.194 4.726 4.527 0.008 0.000 0.356 517 F C 0.659 176.433 175.800 -0.044 0.000 1.167 517 F CA -0.627 57.330 58.000 -0.071 0.000 1.135 517 F CB 0.523 39.516 39.000 -0.013 0.000 1.197 517 F HN 0.283 nan 8.300 nan 0.000 0.569 518 L N 4.855 126.122 121.223 0.074 0.000 2.356 518 L HA 0.223 4.567 4.340 0.007 0.000 0.282 518 L C 0.222 177.142 176.870 0.083 0.000 1.132 518 L CA 0.006 54.820 54.840 -0.043 0.000 0.923 518 L CB -0.080 41.852 42.059 -0.212 0.000 1.278 518 L HN 0.507 nan 8.230 nan 0.000 0.436 519 E N 4.529 124.822 120.200 0.155 0.000 2.194 519 E HA 0.225 4.579 4.350 0.007 0.000 0.284 519 E C -0.151 176.536 176.600 0.145 0.000 1.035 519 E CA -0.519 56.019 56.400 0.229 0.000 0.836 519 E CB 0.314 30.286 29.700 0.454 0.000 1.070 519 E HN 0.491 nan 8.360 nan 0.000 0.401 520 R N 3.723 124.294 120.500 0.117 0.000 3.092 520 R HA -0.146 4.199 4.340 0.007 0.000 0.245 520 R C -1.838 174.499 176.300 0.062 0.000 0.881 520 R CA 0.261 56.412 56.100 0.085 0.000 0.614 520 R CB -0.923 29.430 30.300 0.089 0.000 1.128 520 R HN 0.610 nan 8.270 nan 0.000 0.483 521 P HA -0.285 nan 4.420 nan 0.000 0.217 521 P C 1.135 178.463 177.300 0.046 0.000 1.148 521 P CA 2.104 65.230 63.100 0.044 0.000 0.828 521 P CB 0.175 31.922 31.700 0.078 0.000 0.783 522 A N 0.312 123.162 122.820 0.051 0.000 1.930 522 A HA -0.153 4.171 4.320 0.007 0.000 0.217 522 A C 1.946 179.552 177.584 0.035 0.000 1.175 522 A CA 1.825 53.888 52.037 0.043 0.000 0.627 522 A CB -1.038 17.988 19.000 0.042 0.000 0.815 522 A HN 0.079 nan 8.150 nan 0.000 0.443 523 D N -0.507 119.916 120.400 0.039 0.000 2.194 523 D HA -0.063 4.581 4.640 0.007 0.000 0.204 523 D C 1.795 178.115 176.300 0.034 0.000 0.964 523 D CA 0.800 54.824 54.000 0.039 0.000 0.846 523 D CB -0.314 40.515 40.800 0.048 0.000 0.962 523 D HN 0.357 nan 8.370 nan 0.000 0.490 524 L N 1.093 122.332 121.223 0.026 0.000 2.046 524 L HA -0.088 4.256 4.340 0.007 0.000 0.208 524 L C 2.209 179.073 176.870 -0.009 0.000 1.077 524 L CA 1.653 56.494 54.840 0.003 0.000 0.747 524 L CB -0.345 41.696 42.059 -0.031 0.000 0.896 524 L HN -0.166 nan 8.230 nan 0.000 0.432 525 R N -0.473 120.024 120.500 -0.004 0.000 2.091 525 R HA -0.221 4.123 4.340 0.007 0.000 0.238 525 R C 2.244 178.544 176.300 0.001 0.000 1.136 525 R CA 2.025 58.121 56.100 -0.007 0.000 0.959 525 R CB -0.249 30.055 30.300 0.007 0.000 0.856 525 R HN 0.775 nan 8.270 nan 0.000 0.437 526 Q N -0.879 118.928 119.800 0.012 0.000 2.435 526 Q HA -0.065 4.279 4.340 0.007 0.000 0.207 526 Q C 1.366 177.378 176.000 0.020 0.000 0.956 526 Q CA 0.757 56.569 55.803 0.016 0.000 0.917 526 Q CB 0.117 28.867 28.738 0.020 0.000 0.997 526 Q HN 0.252 nan 8.270 nan 0.000 0.497 527 R N 0.390 120.903 120.500 0.022 0.000 2.300 527 R HA 0.295 4.639 4.340 0.007 0.000 0.199 527 R C 0.086 176.405 176.300 0.031 0.000 0.920 527 R CA -0.068 56.051 56.100 0.032 0.000 1.046 527 R CB 0.364 30.690 30.300 0.043 0.000 0.984 527 R HN 0.228 nan 8.270 nan 0.000 0.493 528 I N 2.540 123.118 120.570 0.013 0.000 2.379 528 I HA -0.017 4.158 4.170 0.007 0.000 0.290 528 I C 0.745 176.875 176.117 0.021 0.000 1.063 528 I CA -0.202 61.103 61.300 0.008 0.000 1.351 528 I CB 1.087 39.065 38.000 -0.037 0.000 1.410 528 I HN 0.109 nan 8.210 nan 0.000 0.505 529 S N 4.357 120.082 115.700 0.041 0.000 2.589 529 S HA 0.028 4.502 4.470 0.007 0.000 0.265 529 S C 0.778 175.402 174.600 0.041 0.000 1.342 529 S CA -0.498 57.729 58.200 0.044 0.000 1.005 529 S CB 1.433 64.668 63.200 0.058 0.000 0.909 529 S HN 0.650 nan 8.310 nan 0.000 0.555 530 Q N 0.683 120.505 119.800 0.037 0.000 2.124 530 Q HA -0.092 4.252 4.340 0.007 0.000 0.202 530 Q C 1.716 177.742 176.000 0.045 0.000 0.977 530 Q CA 1.984 57.809 55.803 0.036 0.000 0.850 530 Q CB -0.445 28.311 28.738 0.030 0.000 0.901 530 Q HN 0.887 nan 8.270 nan 0.000 0.429 531 E N 0.003 120.233 120.200 0.049 0.000 2.072 531 E HA -0.138 4.217 4.350 0.007 0.000 0.191 531 E C 1.493 178.134 176.600 0.068 0.000 0.985 531 E CA 1.392 57.824 56.400 0.054 0.000 0.801 531 E CB -0.089 29.646 29.700 0.057 0.000 0.750 531 E HN 0.374 nan 8.360 nan 0.000 0.452 532 D N -0.072 120.378 120.400 0.082 0.000 2.183 532 D HA -0.128 4.516 4.640 0.007 0.000 0.203 532 D C 1.792 178.140 176.300 0.081 0.000 0.969 532 D CA 0.805 54.851 54.000 0.078 0.000 0.842 532 D CB -0.040 40.818 40.800 0.098 0.000 0.957 532 D HN 0.267 nan 8.370 nan 0.000 0.484 533 E N 0.474 120.716 120.200 0.070 0.000 2.046 533 E HA -0.155 4.200 4.350 0.007 0.000 0.190 533 E C 1.154 177.844 176.600 0.150 0.000 0.982 533 E CA 1.003 57.459 56.400 0.093 0.000 0.800 533 E CB 0.215 29.944 29.700 0.048 0.000 0.756 533 E HN 0.029 nan 8.360 nan 0.000 0.449 534 D N 0.560 121.017 120.400 0.094 0.000 2.117 534 D HA -0.157 4.487 4.640 0.007 0.000 0.197 534 D C 1.535 177.875 176.300 0.067 0.000 0.987 534 D CA 1.282 55.327 54.000 0.075 0.000 0.829 534 D CB -0.368 40.460 40.800 0.048 0.000 0.961 534 D HN 0.223 nan 8.370 nan 0.000 0.460 535 D N -0.886 119.551 120.400 0.061 0.000 2.183 535 D HA -0.115 4.529 4.640 0.007 0.000 0.203 535 D C 1.732 178.043 176.300 0.018 0.000 0.969 535 D CA 0.287 54.300 54.000 0.021 0.000 0.842 535 D CB -0.113 40.684 40.800 -0.005 0.000 0.957 535 D HN 0.096 nan 8.370 nan 0.000 0.484 536 F N 1.023 120.940 119.950 -0.054 0.000 2.102 536 F HA -0.146 4.386 4.527 0.008 0.000 0.298 536 F C 1.896 177.689 175.800 -0.012 0.000 1.105 536 F CA 1.270 59.240 58.000 -0.049 0.000 1.239 536 F CB -0.323 38.652 39.000 -0.043 0.000 0.991 536 F HN -0.089 nan 8.300 nan 0.000 0.474 537 N N 0.610 119.321 118.700 0.019 0.000 2.244 537 N HA -0.175 4.570 4.740 0.007 0.000 0.183 537 N C 2.072 177.533 175.510 -0.082 0.000 1.016 537 N CA 1.116 54.140 53.050 -0.043 0.000 0.866 537 N CB -0.553 37.990 38.487 0.094 0.000 0.980 537 N HN 0.406 nan 8.380 nan 0.000 0.430 538 R N 1.027 121.497 120.500 -0.050 0.000 2.070 538 R HA -0.047 4.298 4.340 0.007 0.000 0.233 538 R C 1.847 178.116 176.300 -0.051 0.000 1.137 538 R CA 1.199 57.278 56.100 -0.034 0.000 0.945 538 R CB -0.227 30.061 30.300 -0.019 0.000 0.845 538 R HN -0.046 nan 8.270 nan 0.000 0.430 539 V N 0.385 120.240 119.914 -0.098 0.000 2.407 539 V HA -0.298 3.827 4.120 0.007 0.000 0.248 539 V C 2.551 178.609 176.094 -0.060 0.000 1.055 539 V CA 1.635 63.883 62.300 -0.086 0.000 1.049 539 V CB -0.501 31.235 31.823 -0.144 0.000 0.662 539 V HN 0.533 nan 8.190 nan 0.000 0.455 540 c N -0.063 118.419 118.600 -0.196 0.000 2.440 540 c HA -0.121 4.453 4.570 0.007 0.000 0.278 540 c C 2.534 176.642 174.090 0.029 0.000 1.295 540 c CA 0.756 57.007 56.329 -0.131 0.000 1.738 540 c CB -0.962 41.316 42.510 -0.387 0.000 1.987 540 c HN 0.592 nan 8.230 nan 0.000 0.492 541 D N 0.582 120.981 120.400 -0.002 0.000 2.117 541 D HA -0.103 4.542 4.640 0.007 0.000 0.198 541 D C 2.114 178.453 176.300 0.066 0.000 0.982 541 D CA 1.161 55.180 54.000 0.031 0.000 0.828 541 D CB -0.421 40.388 40.800 0.014 0.000 0.967 541 D HN 0.609 nan 8.370 nan 0.000 0.464 542 E N -0.154 120.094 120.200 0.080 0.000 2.106 542 E HA -0.129 4.225 4.350 0.007 0.000 0.192 542 E C 1.991 178.710 176.600 0.198 0.000 0.984 542 E CA 0.353 56.820 56.400 0.111 0.000 0.806 542 E CB -0.076 29.678 29.700 0.089 0.000 0.750 542 E HN 0.434 nan 8.360 nan 0.000 0.458 543 W N 1.896 123.234 121.300 0.064 0.000 2.379 543 W HA -0.109 4.555 4.660 0.008 0.000 0.307 543 W C 1.752 178.405 176.519 0.223 0.000 1.200 543 W CA 0.999 58.432 57.345 0.147 0.000 1.297 543 W CB -0.049 29.449 29.460 0.064 0.000 1.140 543 W HN -0.054 nan 8.180 nan 0.000 0.507 544 R N 0.222 120.780 120.500 0.097 0.000 2.152 544 R HA -0.111 4.234 4.340 0.007 0.000 0.232 544 R C 2.350 178.640 176.300 -0.016 0.000 1.117 544 R CA 1.332 57.446 56.100 0.024 0.000 0.981 544 R CB -0.486 29.867 30.300 0.089 0.000 0.870 544 R HN 0.137 nan 8.270 nan 0.000 0.451 545 A N -0.231 122.591 122.820 0.003 0.000 1.975 545 A HA -0.135 4.189 4.320 0.007 0.000 0.215 545 A C 1.791 179.340 177.584 -0.058 0.000 1.170 545 A CA 0.574 52.603 52.037 -0.012 0.000 0.656 545 A CB -0.322 18.692 19.000 0.024 0.000 0.821 545 A HN 0.401 nan 8.150 nan 0.000 0.449 546 Y N -1.272 118.941 120.300 -0.146 0.000 2.206 546 Y HA -0.142 4.413 4.550 0.007 0.000 0.292 546 Y C 2.229 177.967 175.900 -0.271 0.000 1.123 546 Y CA 1.256 59.238 58.100 -0.197 0.000 1.142 546 Y CB -0.562 37.783 38.460 -0.190 0.000 1.006 546 Y HN 0.496 nan 8.280 nan 0.000 0.518 547 W N 2.291 123.072 121.300 -0.864 0.000 2.290 547 W HA -0.249 4.419 4.660 0.012 0.000 0.318 547 W C -0.972 175.239 176.519 -0.515 0.000 1.248 547 W CA 2.225 59.103 57.345 -0.778 0.000 1.263 547 W CB -1.465 27.623 29.460 -0.621 0.000 1.147 547 W HN 0.201 nan 8.180 nan 0.000 0.494 548 P HA -0.128 nan 4.420 nan 0.000 0.225 548 P C 1.502 178.492 177.300 -0.516 0.000 1.148 548 P CA 2.641 65.458 63.100 -0.472 0.000 0.779 548 P CB -0.424 31.129 31.700 -0.244 0.000 0.780 549 T N -5.715 108.470 114.554 -0.614 0.000 3.081 549 T HA 0.065 4.419 4.350 0.007 0.000 0.250 549 T C 0.812 175.157 174.700 -0.592 0.000 1.100 549 T CA -0.255 61.528 62.100 -0.529 0.000 1.038 549 T CB -0.927 67.679 68.868 -0.437 0.000 0.962 549 T HN -0.102 nan 8.240 nan 0.000 0.516 550 N N 3.440 121.650 118.700 -0.817 0.000 2.468 550 N HA 0.194 4.938 4.740 0.007 0.000 0.265 550 N C -1.067 174.162 175.510 -0.469 0.000 1.199 550 N CA -1.631 51.070 53.050 -0.582 0.000 0.928 550 N CB 1.190 39.303 38.487 -0.624 0.000 1.059 550 N HN 0.100 nan 8.380 nan 0.000 0.467 551 P HA -0.029 nan 4.420 nan 0.000 0.236 551 P C -0.829 176.246 177.300 -0.375 0.000 1.177 551 P CA 0.827 63.658 63.100 -0.448 0.000 0.773 551 P CB 0.187 31.537 31.700 -0.582 0.000 0.878 552 Y N 1.511 121.793 120.300 -0.029 0.000 2.409 552 Y HA 0.471 5.022 4.550 0.002 0.000 0.339 552 Y C -1.830 174.129 175.900 0.098 0.000 1.033 552 Y CA -3.611 54.528 58.100 0.064 0.000 1.094 552 Y CB 0.610 39.172 38.460 0.169 0.000 1.210 552 Y HN -0.094 nan 8.280 nan 0.000 0.456 553 P HA 0.229 nan 4.420 nan 0.000 0.281 553 P C -1.206 176.392 177.300 0.497 0.000 1.281 553 P CA -0.912 62.397 63.100 0.347 0.000 0.811 553 P CB 1.451 33.281 31.700 0.216 0.000 1.154 554 K N 1.452 122.153 120.400 0.502 0.000 2.273 554 K HA 0.224 4.548 4.320 0.007 0.000 0.287 554 K C 1.107 177.772 176.600 0.110 0.000 1.089 554 K CA -0.332 56.106 56.287 0.252 0.000 0.909 554 K CB -0.396 32.054 32.500 -0.085 0.000 1.123 554 K HN 0.400 nan 8.250 nan 0.000 0.473 555 I N 0.140 120.779 120.570 0.116 0.000 3.728 555 I HA 0.129 4.304 4.170 0.007 0.000 0.307 555 I C 0.031 176.181 176.117 0.055 0.000 1.276 555 I CA -0.266 61.092 61.300 0.097 0.000 1.285 555 I CB -0.092 37.989 38.000 0.135 0.000 1.038 555 I HN 0.467 nan 8.210 nan 0.000 0.445 556 D N 0.243 120.639 120.400 -0.008 0.000 2.904 556 D HA 0.167 4.811 4.640 0.007 0.000 0.290 556 D C 1.141 177.361 176.300 -0.133 0.000 1.180 556 D CA 0.197 54.184 54.000 -0.022 0.000 1.065 556 D CB 0.369 41.198 40.800 0.047 0.000 1.386 556 D HN -0.057 nan 8.370 nan 0.000 0.599 557 S N -1.767 113.872 115.700 -0.103 0.000 2.419 557 S HA 0.185 4.659 4.470 0.007 0.000 0.233 557 S C 1.872 176.293 174.600 -0.298 0.000 1.016 557 S CA 1.452 59.554 58.200 -0.163 0.000 0.974 557 S CB -0.896 62.249 63.200 -0.092 0.000 0.786 557 S HN 1.679 nan 8.310 nan 0.000 0.492 558 G N 0.299 108.937 108.800 -0.270 0.000 2.176 558 G HA2 -0.170 3.794 3.960 0.007 0.000 0.232 558 G HA3 -0.170 3.794 3.960 0.007 0.000 0.232 558 G C -0.059 174.900 174.900 0.098 0.000 0.986 558 G CA 0.241 45.175 45.100 -0.277 0.000 0.643 558 G HN 0.537 nan 8.290 nan 0.000 0.522 559 L N 0.000 121.232 121.223 0.015 0.000 2.949 559 L HA 0.000 4.344 4.340 0.007 0.000 0.249 559 L CA 0.000 54.884 54.840 0.073 0.000 0.813 559 L CB 0.000 41.974 42.059 -0.141 0.000 0.961 559 L HN 0.000 nan 8.230 nan 0.000 0.502