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 3fu9_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 0.000 176.327 176.600 -0.455 0.000 1.382 1 E CA 0.000 56.300 56.400 -0.167 0.000 0.976 1 E CB 0.000 29.617 29.700 -0.139 0.000 0.812 2 P HA 0.191 nan 4.420 nan 0.000 0.284 2 P C -0.002 176.924 177.300 -0.624 0.000 1.253 2 P CA -0.311 62.017 63.100 -1.287 0.000 0.800 2 P CB 1.550 32.194 31.700 -1.760 0.000 0.961 3 T N -2.333 111.936 114.554 -0.476 0.000 2.985 3 T HA 0.087 4.442 4.350 0.008 0.000 0.254 3 T C 0.984 175.576 174.700 -0.180 0.000 1.021 3 T CA 0.287 62.233 62.100 -0.257 0.000 0.957 3 T CB -0.742 68.021 68.868 -0.175 0.000 1.047 3 T HN 0.584 nan 8.240 nan 0.000 0.511 4 C N 0.501 119.693 119.300 -0.179 0.000 3.489 4 C HA 0.483 4.947 4.460 0.008 0.000 0.264 4 C C 0.205 175.163 174.990 -0.054 0.000 2.026 4 C CA -1.547 57.418 59.018 -0.088 0.000 1.705 4 C CB -1.773 25.945 27.740 -0.036 0.000 3.389 4 C HN 0.459 nan 8.230 nan 0.000 0.459 5 N N 3.093 121.734 118.700 -0.098 0.000 2.469 5 N HA 0.363 5.108 4.740 0.008 0.000 0.239 5 N C -0.225 175.268 175.510 -0.028 0.000 1.053 5 N CA 0.794 53.853 53.050 0.015 0.000 0.937 5 N CB 1.109 39.688 38.487 0.153 0.000 1.163 5 N HN 0.775 nan 8.380 nan 0.000 0.509 6 T N 0.755 115.285 114.554 -0.041 0.000 2.907 6 T HA 0.451 4.806 4.350 0.008 0.000 0.290 6 T C -2.159 172.468 174.700 -0.121 0.000 1.066 6 T CA -1.615 60.441 62.100 -0.073 0.000 1.012 6 T CB 1.831 70.665 68.868 -0.058 0.000 1.184 6 T HN 0.056 nan 8.240 nan 0.000 0.522 7 P HA -0.012 nan 4.420 nan 0.000 0.219 7 P C 1.442 178.664 177.300 -0.129 0.000 1.146 7 P CA 0.790 63.785 63.100 -0.175 0.000 0.808 7 P CB 0.101 31.727 31.700 -0.124 0.000 0.779 8 S N -1.669 113.983 115.700 -0.080 0.000 2.524 8 S HA 0.044 4.519 4.470 0.008 0.000 0.216 8 S C 0.583 175.163 174.600 -0.033 0.000 0.987 8 S CA -0.098 58.074 58.200 -0.047 0.000 0.909 8 S CB -0.776 62.404 63.200 -0.032 0.000 0.781 8 S HN 0.071 nan 8.310 nan 0.000 0.521 9 N N 0.440 119.116 118.700 -0.040 0.000 2.664 9 N HA 0.294 5.038 4.740 0.008 0.000 0.268 9 N C -0.041 175.464 175.510 -0.008 0.000 1.222 9 N CA -0.417 52.628 53.050 -0.008 0.000 0.805 9 N CB 0.598 39.089 38.487 0.006 0.000 1.399 9 N HN -0.167 nan 8.380 nan 0.000 0.547 10 R N 1.787 122.280 120.500 -0.012 0.000 2.300 10 R HA 0.293 4.638 4.340 0.008 0.000 0.199 10 R C 1.239 177.594 176.300 0.092 0.000 0.920 10 R CA 0.744 56.843 56.100 -0.002 0.000 1.046 10 R CB -0.149 30.097 30.300 -0.089 0.000 0.984 10 R HN 0.617 nan 8.270 nan 0.000 0.493 11 A N 0.282 123.156 122.820 0.091 0.000 2.016 11 A HA -0.039 4.286 4.320 0.008 0.000 0.217 11 A C 1.236 178.912 177.584 0.154 0.000 1.162 11 A CA 0.321 52.426 52.037 0.114 0.000 0.662 11 A CB -0.175 18.882 19.000 0.095 0.000 0.812 11 A HN 0.297 nan 8.150 nan 0.000 0.450 12 C N -1.827 117.567 119.300 0.156 0.000 2.520 12 C HA 0.408 4.873 4.460 0.008 0.000 0.376 12 C C 1.167 176.358 174.990 0.334 0.000 1.268 12 C CA -0.288 58.847 59.018 0.196 0.000 2.414 12 C CB 0.317 28.128 27.740 0.118 0.000 2.521 12 C HN 0.713 nan 8.230 nan 0.000 0.618 13 W N 1.013 122.369 121.300 0.094 0.000 4.977 13 W HA 0.249 4.914 4.660 0.008 0.000 0.185 13 W C 0.218 176.776 176.519 0.065 0.000 1.003 13 W CA 0.573 57.970 57.345 0.087 0.000 1.997 13 W CB -0.432 29.122 29.460 0.157 0.000 0.712 13 W HN 0.789 nan 8.180 nan 0.000 1.014 14 S N -0.108 115.684 115.700 0.153 0.000 2.636 14 S HA 0.154 4.629 4.470 0.008 0.000 0.268 14 S C -1.300 173.380 174.600 0.134 0.000 1.159 14 S CA -0.686 57.513 58.200 -0.002 0.000 0.815 14 S CB 1.746 64.881 63.200 -0.107 0.000 1.130 14 S HN 0.013 nan 8.310 nan 0.000 0.471 15 D N 0.765 121.208 120.400 0.072 0.000 2.661 15 D HA 0.361 5.006 4.640 0.008 0.000 0.283 15 D C 1.519 177.868 176.300 0.082 0.000 1.470 15 D CA 2.437 56.476 54.000 0.066 0.000 1.126 15 D CB -0.945 39.874 40.800 0.032 0.000 1.145 15 D HN 1.426 nan 8.370 nan 0.000 0.572 16 G N 2.441 111.248 108.800 0.012 0.000 2.175 16 G HA2 -0.249 3.716 3.960 0.008 0.000 0.244 16 G HA3 -0.249 3.716 3.960 0.008 0.000 0.244 16 G C 0.097 174.747 174.900 -0.416 0.000 0.982 16 G CA -0.141 44.849 45.100 -0.184 0.000 0.641 16 G HN 0.434 nan 8.290 nan 0.000 0.527 17 F N 1.547 121.556 119.950 0.099 0.000 2.529 17 F HA 0.633 5.165 4.527 0.008 0.000 0.320 17 F C 0.188 176.177 175.800 0.314 0.000 1.118 17 F CA -0.122 57.991 58.000 0.190 0.000 0.915 17 F CB 2.251 41.272 39.000 0.035 0.000 1.161 17 F HN 0.320 nan 8.300 nan 0.000 0.445 18 D N 1.094 121.817 120.400 0.539 0.000 2.851 18 D HA 0.188 4.832 4.640 0.008 0.000 0.339 18 D C 0.047 176.540 176.300 0.321 0.000 1.347 18 D CA -0.586 53.641 54.000 0.379 0.000 0.888 18 D CB 0.411 41.355 40.800 0.240 0.000 1.431 18 D HN 0.246 nan 8.370 nan 0.000 0.509 19 I N 0.123 120.819 120.570 0.211 0.000 2.830 19 I HA 0.044 4.218 4.170 0.008 0.000 0.263 19 I C 0.813 177.055 176.117 0.209 0.000 1.230 19 I CA 0.984 62.389 61.300 0.176 0.000 1.480 19 I CB -0.654 37.428 38.000 0.137 0.000 1.095 19 I HN 0.323 nan 8.210 nan 0.000 0.455 20 N N -0.427 118.395 118.700 0.203 0.000 2.392 20 N HA 0.041 4.786 4.740 0.008 0.000 0.177 20 N C 0.483 176.123 175.510 0.217 0.000 1.066 20 N CA 0.261 53.421 53.050 0.184 0.000 0.895 20 N CB -0.187 38.380 38.487 0.133 0.000 0.988 20 N HN 0.262 nan 8.380 nan 0.000 0.457 21 T N 1.655 116.384 114.554 0.292 0.000 2.946 21 T HA -0.077 4.278 4.350 0.008 0.000 0.311 21 T C 0.196 175.118 174.700 0.370 0.000 1.063 21 T CA 0.280 62.584 62.100 0.341 0.000 1.139 21 T CB 0.824 70.008 68.868 0.527 0.000 0.994 21 T HN 0.003 nan 8.240 nan 0.000 0.547 22 D N 2.122 122.665 120.400 0.238 0.000 2.453 22 D HA 0.085 4.729 4.640 0.008 0.000 0.223 22 D C 0.915 177.259 176.300 0.074 0.000 1.183 22 D CA -0.694 53.350 54.000 0.072 0.000 0.933 22 D CB 0.067 40.873 40.800 0.010 0.000 1.038 22 D HN 0.672 nan 8.370 nan 0.000 0.513 23 Y N 1.190 121.659 120.300 0.282 0.000 2.639 23 Y HA 0.119 4.674 4.550 0.008 0.000 0.297 23 Y C 1.475 177.543 175.900 0.281 0.000 1.151 23 Y CA 0.249 58.599 58.100 0.416 0.000 1.335 23 Y CB -0.256 38.259 38.460 0.093 0.000 0.994 23 Y HN 0.259 nan 8.280 nan 0.000 0.548 24 E N 0.569 120.519 120.200 -0.415 0.000 2.435 24 E HA -0.027 4.328 4.350 0.008 0.000 0.195 24 E C 1.609 178.203 176.600 -0.010 0.000 1.029 24 E CA 1.011 57.312 56.400 -0.165 0.000 0.865 24 E CB 0.272 29.798 29.700 -0.289 0.000 0.833 24 E HN 0.592 nan 8.360 nan 0.000 0.510 25 V N -3.538 116.396 119.914 0.034 0.000 3.604 25 V HA 0.265 4.389 4.120 0.008 0.000 0.277 25 V C 0.429 176.614 176.094 0.152 0.000 1.399 25 V CA -0.391 61.956 62.300 0.078 0.000 1.034 25 V CB 1.306 33.155 31.823 0.044 0.000 0.824 25 V HN -0.032 nan 8.190 nan 0.000 0.439 26 S N 0.134 115.993 115.700 0.264 0.000 2.547 26 S HA 0.763 5.238 4.470 0.008 0.000 0.281 26 S C -0.604 174.348 174.600 0.586 0.000 1.118 26 S CA -0.026 58.396 58.200 0.370 0.000 0.947 26 S CB 2.039 65.421 63.200 0.302 0.000 1.053 26 S HN 0.524 nan 8.310 nan 0.000 0.482 27 T N 5.379 120.175 114.554 0.403 0.000 2.912 27 T HA 0.570 4.925 4.350 0.008 0.000 0.299 27 T C -2.960 171.497 174.700 -0.406 0.000 1.052 27 T CA -1.122 60.988 62.100 0.017 0.000 0.996 27 T CB 1.751 70.658 68.868 0.066 0.000 1.070 27 T HN 0.383 nan 8.240 nan 0.000 0.465 28 P HA 0.149 nan 4.420 nan 0.000 0.268 28 P C -0.631 176.438 177.300 -0.386 0.000 1.204 28 P CA -0.238 62.239 63.100 -1.037 0.000 0.768 28 P CB 0.388 31.379 31.700 -1.182 0.000 0.842 29 D N 1.958 122.246 120.400 -0.187 0.000 2.468 29 D HA 0.054 4.699 4.640 0.008 0.000 0.218 29 D C 0.934 177.171 176.300 -0.104 0.000 1.155 29 D CA 0.102 54.041 54.000 -0.101 0.000 0.924 29 D CB 0.104 40.884 40.800 -0.034 0.000 1.029 29 D HN 0.290 nan 8.370 nan 0.000 0.515 30 T N -0.513 113.974 114.554 -0.112 0.000 3.057 30 T HA 0.198 4.553 4.350 0.008 0.000 0.254 30 T C 1.646 176.305 174.700 -0.068 0.000 1.094 30 T CA 0.494 62.540 62.100 -0.090 0.000 1.088 30 T CB 0.193 69.012 68.868 -0.081 0.000 0.934 30 T HN 0.380 nan 8.240 nan 0.000 0.497 31 G N 1.078 109.839 108.800 -0.065 0.000 2.196 31 G HA2 -0.256 3.708 3.960 0.008 0.000 0.268 31 G HA3 -0.256 3.708 3.960 0.008 0.000 0.268 31 G C 0.138 175.000 174.900 -0.064 0.000 0.975 31 G CA 0.314 45.378 45.100 -0.059 0.000 0.648 31 G HN 0.733 nan 8.290 nan 0.000 0.538 32 V N 1.314 121.188 119.914 -0.067 0.000 2.498 32 V HA 0.562 4.687 4.120 0.008 0.000 0.279 32 V C 0.613 176.654 176.094 -0.089 0.000 1.048 32 V CA 0.242 62.501 62.300 -0.069 0.000 0.967 32 V CB 1.601 33.392 31.823 -0.053 0.000 0.988 32 V HN 0.261 nan 8.190 nan 0.000 0.473 33 T N 5.383 119.875 114.554 -0.104 0.000 2.779 33 T HA 0.373 4.727 4.350 0.008 0.000 0.280 33 T C -0.430 174.182 174.700 -0.147 0.000 0.987 33 T CA -0.552 61.462 62.100 -0.143 0.000 0.966 33 T CB 1.108 69.886 68.868 -0.150 0.000 0.933 33 T HN 0.571 nan 8.240 nan 0.000 0.442 34 Q N 1.960 121.665 119.800 -0.159 0.000 2.314 34 Q HA 0.418 4.762 4.340 0.008 0.000 0.259 34 Q C -0.159 175.701 176.000 -0.233 0.000 0.951 34 Q CA -0.348 55.358 55.803 -0.163 0.000 0.909 34 Q CB 1.956 30.672 28.738 -0.038 0.000 1.236 34 Q HN 0.655 nan 8.270 nan 0.000 0.444 35 S N 3.139 118.625 115.700 -0.356 0.000 2.541 35 S HA 0.684 5.159 4.470 0.008 0.000 0.283 35 S C -1.280 172.908 174.600 -0.686 0.000 1.196 35 S CA -0.180 57.805 58.200 -0.359 0.000 1.062 35 S CB 0.433 63.475 63.200 -0.264 0.000 1.009 35 S HN 0.424 nan 8.310 nan 0.000 0.502 36 Y N 1.301 121.517 120.300 -0.139 0.000 2.571 36 Y HA 0.538 5.092 4.550 0.008 0.000 0.341 36 Y C -0.520 175.305 175.900 -0.125 0.000 1.076 36 Y CA -0.957 57.091 58.100 -0.087 0.000 1.029 36 Y CB 1.979 40.382 38.460 -0.096 0.000 1.308 36 Y HN 0.477 nan 8.280 nan 0.000 0.461 37 V N 2.548 122.549 119.914 0.145 0.000 2.715 37 V HA 0.540 4.665 4.120 0.008 0.000 0.310 37 V C -1.221 175.138 176.094 0.441 0.000 1.054 37 V CA -0.966 61.418 62.300 0.140 0.000 0.928 37 V CB 2.049 33.942 31.823 0.118 0.000 1.007 37 V HN 0.466 nan 8.190 nan 0.000 0.437 38 F N 2.564 122.596 119.950 0.136 0.000 2.553 38 F HA 0.460 4.992 4.527 0.008 0.000 0.335 38 F C -0.007 175.850 175.800 0.096 0.000 1.148 38 F CA -1.557 56.518 58.000 0.124 0.000 0.963 38 F CB 1.570 40.648 39.000 0.131 0.000 1.217 38 F HN 0.482 nan 8.300 nan 0.000 0.441 39 N N 5.234 124.088 118.700 0.256 0.000 2.546 39 N HA 0.350 5.095 4.740 0.008 0.000 0.238 39 N C -1.147 174.430 175.510 0.111 0.000 0.984 39 N CA -0.180 52.961 53.050 0.151 0.000 0.935 39 N CB 0.700 39.257 38.487 0.117 0.000 1.122 39 N HN 0.507 nan 8.380 nan 0.000 0.510 40 L N 2.616 123.895 121.223 0.093 0.000 2.305 40 L HA 0.476 4.821 4.340 0.008 0.000 0.281 40 L C 0.591 177.471 176.870 0.017 0.000 1.085 40 L CA -0.483 54.384 54.840 0.045 0.000 0.813 40 L CB 0.985 43.067 42.059 0.039 0.000 1.157 40 L HN 0.471 nan 8.230 nan 0.000 0.436 41 T N -1.210 113.342 114.554 -0.003 0.000 2.916 41 T HA 0.368 4.722 4.350 0.008 0.000 0.305 41 T C -0.542 174.142 174.700 -0.027 0.000 1.119 41 T CA -0.993 61.103 62.100 -0.007 0.000 1.008 41 T CB 2.023 70.893 68.868 0.004 0.000 1.129 41 T HN 0.516 nan 8.240 nan 0.000 0.480 42 E N 1.406 121.599 120.200 -0.011 0.000 2.217 42 E HA 0.461 4.816 4.350 0.008 0.000 0.279 42 E C -0.611 175.984 176.600 -0.009 0.000 1.068 42 E CA -0.543 55.850 56.400 -0.011 0.000 0.882 42 E CB 0.946 30.660 29.700 0.023 0.000 1.039 42 E HN 0.467 nan 8.360 nan 0.000 0.418 43 V N 3.986 123.875 119.914 -0.042 0.000 2.448 43 V HA 0.230 4.355 4.120 0.008 0.000 0.295 43 V C -0.242 175.881 176.094 0.047 0.000 1.025 43 V CA -1.002 61.298 62.300 0.001 0.000 0.859 43 V CB 1.792 33.611 31.823 -0.006 0.000 0.988 43 V HN 0.583 nan 8.190 nan 0.000 0.431 44 D N 3.322 123.774 120.400 0.086 0.000 2.181 44 D HA 0.349 4.994 4.640 0.008 0.000 0.248 44 D C 0.081 176.464 176.300 0.138 0.000 1.020 44 D CA -0.204 53.855 54.000 0.098 0.000 0.891 44 D CB 1.022 41.867 40.800 0.075 0.000 1.187 44 D HN 0.562 nan 8.370 nan 0.000 0.443 45 N N 1.052 119.838 118.700 0.143 0.000 2.696 45 N HA -0.239 4.506 4.740 0.008 0.000 0.256 45 N C -1.167 174.463 175.510 0.201 0.000 1.031 45 N CA 0.341 53.474 53.050 0.138 0.000 0.730 45 N CB -1.301 37.236 38.487 0.082 0.000 0.894 45 N HN 0.516 nan 8.380 nan 0.000 0.544 46 W N 1.469 122.788 121.300 0.033 0.000 2.433 46 W HA 0.580 5.244 4.660 0.007 0.000 0.315 46 W C 0.105 176.650 176.519 0.043 0.000 1.087 46 W CA -1.066 56.304 57.345 0.041 0.000 1.205 46 W CB 0.713 30.207 29.460 0.057 0.000 1.288 46 W HN 0.188 nan 8.180 nan 0.000 0.504 47 M N 6.704 126.015 119.600 -0.481 0.000 2.084 47 M HA 0.373 4.858 4.480 0.008 0.000 0.351 47 M C 0.698 176.401 176.300 -0.996 0.000 1.240 47 M CA 0.066 55.070 55.300 -0.493 0.000 1.083 47 M CB 0.254 32.664 32.600 -0.316 0.000 1.593 47 M HN 0.697 nan 8.290 nan 0.000 0.463 48 G N 4.385 112.745 108.800 -0.733 0.000 2.616 48 G HA2 0.325 4.290 3.960 0.008 0.000 0.268 48 G HA3 0.325 4.290 3.960 0.008 0.000 0.268 48 G C -1.905 172.741 174.900 -0.423 0.000 1.213 48 G CA -1.048 43.626 45.100 -0.710 0.000 0.926 48 G HN 0.597 nan 8.290 nan 0.000 0.523 49 P HA -0.052 nan 4.420 nan 0.000 0.222 49 P C 0.509 177.698 177.300 -0.185 0.000 1.147 49 P CA 1.200 64.159 63.100 -0.235 0.000 0.790 49 P CB 0.208 31.768 31.700 -0.232 0.000 0.780 50 D N -1.469 118.847 120.400 -0.140 0.000 2.525 50 D HA 0.185 4.830 4.640 0.008 0.000 0.229 50 D C 1.285 177.540 176.300 -0.075 0.000 1.202 50 D CA -0.223 53.731 54.000 -0.078 0.000 0.828 50 D CB -0.796 40.010 40.800 0.010 0.000 1.008 50 D HN 0.183 nan 8.370 nan 0.000 0.493 51 G N -0.622 108.105 108.800 -0.122 0.000 2.184 51 G HA2 -0.267 3.698 3.960 0.008 0.000 0.264 51 G HA3 -0.267 3.698 3.960 0.008 0.000 0.264 51 G C 0.125 174.937 174.900 -0.147 0.000 0.975 51 G CA 0.464 45.488 45.100 -0.127 0.000 0.642 51 G HN 0.426 nan 8.290 nan 0.000 0.536 52 V N 0.673 120.489 119.914 -0.163 0.000 2.547 52 V HA 0.605 4.730 4.120 0.008 0.000 0.299 52 V C 0.565 176.542 176.094 -0.195 0.000 1.040 52 V CA -0.778 61.362 62.300 -0.268 0.000 0.913 52 V CB 2.022 33.463 31.823 -0.638 0.000 0.992 52 V HN 0.188 nan 8.190 nan 0.000 0.449 53 V N 5.559 125.368 119.914 -0.174 0.000 2.364 53 V HA 0.306 4.431 4.120 0.008 0.000 0.272 53 V C 0.305 176.398 176.094 -0.000 0.000 1.036 53 V CA -0.750 61.510 62.300 -0.068 0.000 0.880 53 V CB 0.989 32.779 31.823 -0.055 0.000 0.991 53 V HN 0.798 nan 8.190 nan 0.000 0.460 54 K N 3.605 124.095 120.400 0.149 0.000 2.174 54 K HA 0.249 4.573 4.320 0.008 0.000 0.275 54 K C 1.110 177.814 176.600 0.173 0.000 1.015 54 K CA -0.389 56.019 56.287 0.201 0.000 0.933 54 K CB 1.784 34.491 32.500 0.345 0.000 1.025 54 K HN 0.718 nan 8.250 nan 0.000 0.463 55 E N 2.466 122.734 120.200 0.113 0.000 2.070 55 E HA -0.206 4.148 4.350 0.008 0.000 0.197 55 E C -0.135 176.521 176.600 0.094 0.000 1.004 55 E CA 1.558 58.008 56.400 0.083 0.000 0.805 55 E CB 0.359 30.089 29.700 0.050 0.000 0.744 55 E HN 0.377 nan 8.360 nan 0.000 0.451 56 K N -0.296 120.160 120.400 0.094 0.000 2.542 56 K HA 0.302 4.627 4.320 0.008 0.000 0.259 56 K C -1.387 175.229 176.600 0.027 0.000 0.932 56 K CA -0.604 55.721 56.287 0.062 0.000 0.820 56 K CB 2.186 34.711 32.500 0.040 0.000 1.345 56 K HN 0.035 nan 8.250 nan 0.000 0.432 57 V N -0.035 119.837 119.914 -0.069 0.000 3.102 57 V HA 0.681 4.805 4.120 0.008 0.000 0.312 57 V C -0.773 175.216 176.094 -0.176 0.000 1.135 57 V CA -1.108 61.075 62.300 -0.195 0.000 1.022 57 V CB 2.037 33.501 31.823 -0.597 0.000 1.056 57 V HN 0.774 nan 8.190 nan 0.000 0.436 58 M N 3.514 123.024 119.600 -0.149 0.000 2.085 58 M HA 0.657 5.142 4.480 0.008 0.000 0.309 58 M C -1.411 174.816 176.300 -0.122 0.000 0.947 58 M CA -0.165 55.077 55.300 -0.096 0.000 0.918 58 M CB 1.653 34.238 32.600 -0.024 0.000 1.504 58 M HN 0.591 nan 8.290 nan 0.000 0.420 59 L N 3.411 124.554 121.223 -0.134 0.000 2.301 59 L HA 0.730 5.075 4.340 0.008 0.000 0.264 59 L C -0.652 176.181 176.870 -0.060 0.000 1.016 59 L CA -0.922 53.840 54.840 -0.129 0.000 0.821 59 L CB 2.568 44.520 42.059 -0.180 0.000 1.346 59 L HN 0.623 nan 8.230 nan 0.000 0.429 60 I N 2.249 122.787 120.570 -0.052 0.000 2.390 60 I HA 0.279 4.454 4.170 0.008 0.000 0.283 60 I C -0.570 175.548 176.117 0.002 0.000 1.016 60 I CA -0.411 60.868 61.300 -0.035 0.000 1.151 60 I CB 1.199 39.109 38.000 -0.150 0.000 1.293 60 I HN 0.704 nan 8.210 nan 0.000 0.458 61 N N 4.759 123.488 118.700 0.049 0.000 2.754 61 N HA -0.181 4.563 4.740 0.008 0.000 0.248 61 N C 0.904 176.450 175.510 0.060 0.000 1.093 61 N CA 1.314 54.407 53.050 0.072 0.000 0.699 61 N CB -1.304 37.244 38.487 0.102 0.000 1.016 61 N HN 1.105 nan 8.380 nan 0.000 0.552 62 G N -1.732 107.092 108.800 0.039 0.000 2.155 62 G HA2 -0.359 3.606 3.960 0.008 0.000 0.257 62 G HA3 -0.359 3.606 3.960 0.008 0.000 0.257 62 G C 0.033 174.980 174.900 0.079 0.000 0.983 62 G CA 0.628 45.759 45.100 0.051 0.000 0.676 62 G HN 0.625 nan 8.290 nan 0.000 0.528 63 N N -1.007 117.728 118.700 0.058 0.000 2.545 63 N HA 0.487 5.232 4.740 0.008 0.000 0.289 63 N C 1.120 176.671 175.510 0.068 0.000 1.279 63 N CA -0.343 52.765 53.050 0.096 0.000 0.824 63 N CB 1.403 39.944 38.487 0.089 0.000 1.395 63 N HN 0.085 nan 8.380 nan 0.000 0.526 64 I N -0.434 120.220 120.570 0.140 0.000 2.756 64 I HA 0.042 4.217 4.170 0.008 0.000 0.262 64 I C 0.077 176.213 176.117 0.032 0.000 1.225 64 I CA 1.316 62.697 61.300 0.136 0.000 1.472 64 I CB 0.166 38.320 38.000 0.256 0.000 1.094 64 I HN 0.382 nan 8.210 nan 0.000 0.454 65 M N -0.969 118.635 119.600 0.007 0.000 2.520 65 M HA 0.405 4.890 4.480 0.008 0.000 0.280 65 M C 0.022 176.299 176.300 -0.039 0.000 1.232 65 M CA -0.552 54.721 55.300 -0.045 0.000 0.892 65 M CB 1.851 34.415 32.600 -0.059 0.000 1.728 65 M HN -0.024 nan 8.290 nan 0.000 0.475 66 G N 1.135 109.887 108.800 -0.080 0.000 2.621 66 G HA2 0.561 4.526 3.960 0.008 0.000 0.271 66 G HA3 0.561 4.526 3.960 0.008 0.000 0.271 66 G C -2.687 172.241 174.900 0.046 0.000 1.236 66 G CA -1.013 44.036 45.100 -0.086 0.000 0.958 66 G HN 0.393 nan 8.290 nan 0.000 0.512 67 P HA -0.053 nan 4.420 nan 0.000 0.261 67 P C -0.514 176.902 177.300 0.193 0.000 1.165 67 P CA 0.068 63.283 63.100 0.192 0.000 0.759 67 P CB 0.321 32.230 31.700 0.348 0.000 0.772 68 N N 3.867 122.662 118.700 0.158 0.000 2.549 68 N HA 0.104 4.848 4.740 0.008 0.000 0.267 68 N C 0.601 176.177 175.510 0.109 0.000 1.182 68 N CA 0.019 53.156 53.050 0.144 0.000 1.019 68 N CB -0.392 38.166 38.487 0.118 0.000 1.380 68 N HN 0.420 nan 8.380 nan 0.000 0.505 69 I N 1.272 121.857 120.570 0.024 0.000 2.845 69 I HA -0.124 4.050 4.170 0.008 0.000 0.296 69 I C 0.341 176.519 176.117 0.102 0.000 1.216 69 I CA 0.581 61.797 61.300 -0.140 0.000 1.438 69 I CB 0.263 38.188 38.000 -0.123 0.000 1.342 69 I HN 0.001 nan 8.210 nan 0.000 0.577 70 V N 4.984 125.006 119.914 0.180 0.000 2.852 70 V HA 0.837 4.962 4.120 0.008 0.000 0.300 70 V C -0.432 175.778 176.094 0.193 0.000 1.205 70 V CA -0.474 61.938 62.300 0.187 0.000 0.940 70 V CB 1.701 33.631 31.823 0.178 0.000 1.047 70 V HN 0.987 nan 8.190 nan 0.000 0.429 71 A N 3.756 126.676 122.820 0.166 0.000 2.566 71 A HA 0.784 5.109 4.320 0.008 0.000 0.290 71 A C -1.534 176.157 177.584 0.179 0.000 1.071 71 A CA -0.760 51.365 52.037 0.147 0.000 0.658 71 A CB 1.476 20.541 19.000 0.108 0.000 1.285 71 A HN 0.637 nan 8.150 nan 0.000 0.427 72 N N 0.082 118.898 118.700 0.193 0.000 2.515 72 N HA 0.265 5.010 4.740 0.008 0.000 0.279 72 N C -0.501 175.179 175.510 0.283 0.000 1.164 72 N CA -0.117 53.112 53.050 0.300 0.000 0.982 72 N CB 0.600 39.286 38.487 0.331 0.000 1.170 72 N HN 0.709 nan 8.380 nan 0.000 0.474 73 W N 1.730 123.059 121.300 0.048 0.000 2.549 73 W HA 0.139 4.803 4.660 0.008 0.000 0.343 73 W C 1.209 177.726 176.519 -0.002 0.000 1.278 73 W CA 1.328 58.654 57.345 -0.031 0.000 1.277 73 W CB -0.831 28.450 29.460 -0.298 0.000 1.249 73 W HN 0.830 nan 8.180 nan 0.000 0.572 74 G N 3.160 111.969 108.800 0.015 0.000 2.313 74 G HA2 -0.271 3.693 3.960 0.008 0.000 0.215 74 G HA3 -0.271 3.693 3.960 0.008 0.000 0.215 74 G C 0.340 175.214 174.900 -0.043 0.000 1.023 74 G CA 0.015 45.028 45.100 -0.145 0.000 0.626 74 G HN 0.523 nan 8.290 nan 0.000 0.503 75 D N 1.013 121.413 120.400 0.001 0.000 2.380 75 D HA 0.553 5.198 4.640 0.008 0.000 0.254 75 D C 0.777 177.022 176.300 -0.090 0.000 1.288 75 D CA 0.743 54.715 54.000 -0.045 0.000 1.008 75 D CB 0.264 41.044 40.800 -0.033 0.000 1.099 75 D HN 0.193 nan 8.370 nan 0.000 0.537 76 T N -0.304 114.154 114.554 -0.160 0.000 2.945 76 T HA 0.557 4.911 4.350 0.008 0.000 0.286 76 T C -0.346 174.103 174.700 -0.419 0.000 1.025 76 T CA -0.694 61.236 62.100 -0.284 0.000 1.039 76 T CB 1.422 70.143 68.868 -0.245 0.000 1.068 76 T HN -0.001 nan 8.240 nan 0.000 0.497 77 V N 1.858 121.294 119.914 -0.796 0.000 2.540 77 V HA 0.595 4.720 4.120 0.008 0.000 0.302 77 V C -0.351 175.188 176.094 -0.925 0.000 1.035 77 V CA -0.760 61.008 62.300 -0.887 0.000 0.873 77 V CB 1.705 32.708 31.823 -1.367 0.000 0.992 77 V HN 0.918 nan 8.190 nan 0.000 0.428 78 E N 3.019 122.898 120.200 -0.535 0.000 2.283 78 E HA 0.655 5.010 4.350 0.008 0.000 0.258 78 E C -1.881 174.556 176.600 -0.271 0.000 0.893 78 E CA -0.316 55.848 56.400 -0.392 0.000 0.798 78 E CB 1.989 31.522 29.700 -0.277 0.000 1.242 78 E HN 0.498 nan 8.360 nan 0.000 0.414 79 V N 3.800 123.557 119.914 -0.261 0.000 2.443 79 V HA 0.359 4.483 4.120 0.008 0.000 0.293 79 V C -0.075 175.959 176.094 -0.101 0.000 1.021 79 V CA -0.768 61.385 62.300 -0.244 0.000 0.848 79 V CB 1.881 33.405 31.823 -0.498 0.000 0.998 79 V HN 0.701 nan 8.190 nan 0.000 0.424 80 T N 4.480 118.982 114.554 -0.087 0.000 2.856 80 T HA 0.527 4.881 4.350 0.008 0.000 0.292 80 T C -0.181 174.525 174.700 0.010 0.000 0.980 80 T CA -0.186 61.901 62.100 -0.021 0.000 1.091 80 T CB 1.448 70.305 68.868 -0.019 0.000 0.936 80 T HN 0.374 nan 8.240 nan 0.000 0.503 81 V N 4.963 124.927 119.914 0.083 0.000 2.444 81 V HA 0.497 4.621 4.120 0.008 0.000 0.294 81 V C -0.304 175.858 176.094 0.113 0.000 1.022 81 V CA -0.698 61.705 62.300 0.170 0.000 0.850 81 V CB 1.347 33.359 31.823 0.315 0.000 0.992 81 V HN 0.776 nan 8.190 nan 0.000 0.426 82 I N 4.207 124.847 120.570 0.118 0.000 2.410 82 I HA 0.365 4.540 4.170 0.008 0.000 0.286 82 I C -0.245 175.912 176.117 0.066 0.000 1.009 82 I CA -0.510 60.831 61.300 0.068 0.000 1.111 82 I CB 1.823 39.857 38.000 0.056 0.000 1.262 82 I HN 0.494 nan 8.210 nan 0.000 0.443 83 N N 6.044 124.759 118.700 0.025 0.000 2.482 83 N HA 0.159 4.904 4.740 0.008 0.000 0.242 83 N C -0.317 175.179 175.510 -0.023 0.000 1.100 83 N CA 0.068 53.110 53.050 -0.013 0.000 0.946 83 N CB 0.271 38.717 38.487 -0.069 0.000 1.227 83 N HN 0.408 nan 8.380 nan 0.000 0.508 84 N N 3.733 122.429 118.700 -0.006 0.000 2.458 84 N HA 0.143 4.887 4.740 0.008 0.000 0.274 84 N C -0.322 175.182 175.510 -0.010 0.000 1.242 84 N CA -0.146 52.901 53.050 -0.005 0.000 0.904 84 N CB 0.467 38.962 38.487 0.014 0.000 1.206 84 N HN 0.443 nan 8.380 nan 0.000 0.510 85 L N 0.023 121.227 121.223 -0.032 0.000 2.452 85 L HA 0.152 4.497 4.340 0.008 0.000 0.267 85 L C 1.921 178.783 176.870 -0.013 0.000 1.188 85 L CA -0.429 54.395 54.840 -0.027 0.000 0.821 85 L CB 0.668 42.691 42.059 -0.060 0.000 1.102 85 L HN -0.138 nan 8.230 nan 0.000 0.470 86 V N 0.422 120.354 119.914 0.031 0.000 2.229 86 V HA -0.207 3.917 4.120 0.008 0.000 0.243 86 V C 2.100 178.248 176.094 0.090 0.000 1.042 86 V CA 2.451 64.790 62.300 0.064 0.000 1.000 86 V CB -0.785 31.098 31.823 0.100 0.000 0.637 86 V HN 1.103 nan 8.190 nan 0.000 0.446 87 T N -3.231 111.415 114.554 0.153 0.000 3.038 87 T HA 0.130 4.485 4.350 0.008 0.000 0.244 87 T C 0.718 175.571 174.700 0.255 0.000 1.016 87 T CA -0.035 62.225 62.100 0.267 0.000 1.098 87 T CB -0.432 68.696 68.868 0.434 0.000 0.954 87 T HN 0.421 nan 8.240 nan 0.000 0.469 88 N N 1.500 120.259 118.700 0.099 0.000 2.529 88 N HA 0.477 5.222 4.740 0.008 0.000 0.278 88 N C 0.422 175.589 175.510 -0.571 0.000 1.146 88 N CA -0.485 52.456 53.050 -0.181 0.000 0.980 88 N CB 1.088 39.426 38.487 -0.249 0.000 1.124 88 N HN 0.500 nan 8.380 nan 0.000 0.458 89 G N 0.167 108.274 108.800 -1.156 0.000 2.683 89 G HA2 0.272 4.237 3.960 0.008 0.000 0.260 89 G HA3 0.272 4.237 3.960 0.008 0.000 0.260 89 G C -0.220 173.859 174.900 -1.367 0.000 1.238 89 G CA 0.137 44.469 45.100 -1.281 0.000 0.934 89 G HN 0.418 nan 8.290 nan 0.000 0.534 90 T N -2.023 112.093 114.554 -0.731 0.000 2.821 90 T HA 0.624 4.979 4.350 0.008 0.000 0.306 90 T C -1.057 173.552 174.700 -0.152 0.000 1.313 90 T CA 0.118 62.009 62.100 -0.349 0.000 1.012 90 T CB 1.466 70.236 68.868 -0.165 0.000 1.298 90 T HN 1.577 nan 8.240 nan 0.000 0.502 91 S N 2.586 118.304 115.700 0.030 0.000 2.605 91 S HA 0.560 5.035 4.470 0.008 0.000 0.279 91 S C -1.623 173.044 174.600 0.111 0.000 1.166 91 S CA -0.923 57.361 58.200 0.140 0.000 0.975 91 S CB 0.747 64.020 63.200 0.123 0.000 1.111 91 S HN 0.600 nan 8.310 nan 0.000 0.465 92 I N 4.282 124.861 120.570 0.015 0.000 2.339 92 I HA 0.393 4.568 4.170 0.008 0.000 0.290 92 I C 0.174 175.806 176.117 -0.808 0.000 0.994 92 I CA -0.290 60.762 61.300 -0.414 0.000 1.191 92 I CB 0.776 38.429 38.000 -0.579 0.000 1.343 92 I HN 0.983 nan 8.210 nan 0.000 0.458 93 H N 6.378 124.947 119.070 -0.834 0.000 2.473 93 H HA 0.400 4.961 4.556 0.008 0.000 0.327 93 H C -1.496 173.147 175.328 -1.141 0.000 1.105 93 H CA -0.472 55.106 56.048 -0.783 0.000 1.280 93 H CB 0.783 30.309 29.762 -0.393 0.000 1.450 93 H HN 0.382 nan 8.280 nan 0.000 0.492 94 W N 5.375 126.018 121.300 -1.096 0.000 2.288 94 W HA 0.216 4.881 4.660 0.009 0.000 0.325 94 W C -0.150 175.705 176.519 -1.106 0.000 1.019 94 W CA -0.840 55.946 57.345 -0.931 0.000 1.403 94 W CB -0.165 28.735 29.460 -0.933 0.000 1.226 94 W HN 0.678 nan 8.180 nan 0.000 0.391 95 H N 1.737 120.201 119.070 -1.011 0.000 2.668 95 H HA 0.478 5.038 4.556 0.008 0.000 0.303 95 H C 1.356 176.447 175.328 -0.395 0.000 1.074 95 H CA 0.638 56.210 56.048 -0.793 0.000 1.406 95 H CB 0.694 29.866 29.762 -0.984 0.000 1.442 95 H HN 0.788 nan 8.280 nan 0.000 0.482 96 G N 4.872 113.565 108.800 -0.179 0.000 2.195 96 G HA2 -0.237 3.728 3.960 0.008 0.000 0.246 96 G HA3 -0.237 3.728 3.960 0.008 0.000 0.246 96 G C 0.062 174.782 174.900 -0.300 0.000 0.984 96 G CA 0.067 45.100 45.100 -0.111 0.000 0.633 96 G HN 0.580 nan 8.290 nan 0.000 0.525 97 I N 3.182 123.529 120.570 -0.372 0.000 2.256 97 I HA 0.245 4.420 4.170 0.008 0.000 0.294 97 I C 1.489 177.409 176.117 -0.330 0.000 1.127 97 I CA -0.548 60.456 61.300 -0.492 0.000 1.247 97 I CB 0.059 37.594 38.000 -0.774 0.000 1.460 97 I HN 0.094 nan 8.210 nan 0.000 0.511 98 H N 5.147 124.062 119.070 -0.258 0.000 2.518 98 H HA -0.121 4.439 4.556 0.008 0.000 0.294 98 H C 0.475 175.633 175.328 -0.283 0.000 1.083 98 H CA 0.465 56.314 56.048 -0.333 0.000 1.264 98 H CB 0.044 29.603 29.762 -0.339 0.000 1.370 98 H HN 0.460 nan 8.280 nan 0.000 0.560 99 Q N 0.188 119.987 119.800 -0.001 0.000 2.443 99 Q HA -0.194 4.151 4.340 0.008 0.000 0.337 99 Q C 0.050 176.168 176.000 0.197 0.000 1.401 99 Q CA 0.459 56.359 55.803 0.162 0.000 0.943 99 Q CB -1.388 27.569 28.738 0.365 0.000 1.177 99 Q HN 0.309 nan 8.270 nan 0.000 0.394 100 K N 2.593 123.061 120.400 0.114 0.000 2.272 100 K HA -0.139 4.186 4.320 0.008 0.000 0.259 100 K C -0.034 176.662 176.600 0.160 0.000 1.280 100 K CA 0.937 57.288 56.287 0.108 0.000 1.275 100 K CB -0.447 32.112 32.500 0.098 0.000 0.800 100 K HN 0.334 nan 8.250 nan 0.000 0.484 101 D N 2.406 122.928 120.400 0.203 0.000 2.751 101 D HA -0.186 4.459 4.640 0.008 0.000 0.233 101 D C -0.746 175.672 176.300 0.196 0.000 1.149 101 D CA 1.633 55.746 54.000 0.188 0.000 0.682 101 D CB -1.088 39.789 40.800 0.128 0.000 1.068 101 D HN 0.696 nan 8.370 nan 0.000 0.429 102 T N -2.504 112.208 114.554 0.262 0.000 3.630 102 T HA 0.180 4.535 4.350 0.008 0.000 0.238 102 T C 0.837 175.743 174.700 0.344 0.000 1.195 102 T CA -0.659 61.626 62.100 0.308 0.000 1.433 102 T CB 0.529 69.567 68.868 0.283 0.000 0.940 102 T HN 0.139 nan 8.240 nan 0.000 0.641 103 N N 0.889 119.715 118.700 0.210 0.000 2.300 103 N HA -0.062 4.682 4.740 0.008 0.000 0.179 103 N C 0.958 176.466 175.510 -0.003 0.000 1.016 103 N CA 0.657 53.711 53.050 0.007 0.000 0.876 103 N CB 0.009 38.285 38.487 -0.352 0.000 0.979 103 N HN 0.298 nan 8.380 nan 0.000 0.432 104 L N 0.958 122.189 121.223 0.013 0.000 2.633 104 L HA -0.035 4.310 4.340 0.008 0.000 0.235 104 L C 1.303 178.158 176.870 -0.025 0.000 1.163 104 L CA 0.967 55.787 54.840 -0.032 0.000 0.859 104 L CB -0.824 41.172 42.059 -0.104 0.000 0.973 104 L HN 0.296 nan 8.230 nan 0.000 0.451 105 H N -2.367 116.870 119.070 0.278 0.000 2.594 105 H HA 0.093 4.654 4.556 0.008 0.000 0.279 105 H C 1.144 176.791 175.328 0.533 0.000 1.042 105 H CA 0.288 56.627 56.048 0.486 0.000 1.177 105 H CB 0.517 30.529 29.762 0.418 0.000 1.524 105 H HN 0.361 nan 8.280 nan 0.000 0.537 106 D N 0.265 120.936 120.400 0.451 0.000 2.234 106 D HA -0.021 4.624 4.640 0.008 0.000 0.205 106 D C 1.648 178.199 176.300 0.419 0.000 0.962 106 D CA 1.228 55.479 54.000 0.417 0.000 0.855 106 D CB 0.283 41.312 40.800 0.382 0.000 0.951 106 D HN 0.407 nan 8.370 nan 0.000 0.500 107 G N -0.560 108.468 108.800 0.381 0.000 2.130 107 G HA2 -0.108 3.857 3.960 0.008 0.000 0.216 107 G HA3 -0.108 3.857 3.960 0.008 0.000 0.216 107 G C 0.232 175.256 174.900 0.207 0.000 0.999 107 G CA 0.112 45.416 45.100 0.340 0.000 0.686 107 G HN 0.690 nan 8.290 nan 0.000 0.515 108 A N 1.130 124.021 122.820 0.118 0.000 2.650 108 A HA 0.584 4.909 4.320 0.008 0.000 0.320 108 A C 0.804 178.383 177.584 -0.007 0.000 1.466 108 A CA 0.084 52.081 52.037 -0.066 0.000 1.099 108 A CB -0.468 18.466 19.000 -0.109 0.000 1.136 108 A HN 0.935 nan 8.150 nan 0.000 0.532 109 N N 1.670 120.392 118.700 0.037 0.000 2.458 109 N HA 0.304 5.048 4.740 0.008 0.000 0.258 109 N C 0.991 176.601 175.510 0.167 0.000 1.219 109 N CA 0.262 53.360 53.050 0.080 0.000 0.902 109 N CB 0.671 39.153 38.487 -0.008 0.000 1.076 109 N HN 0.939 nan 8.380 nan 0.000 0.455 110 G N 0.164 109.081 108.800 0.195 0.000 2.284 110 G HA2 -0.314 3.651 3.960 0.008 0.000 0.247 110 G HA3 -0.314 3.651 3.960 0.008 0.000 0.247 110 G C 0.485 175.420 174.900 0.058 0.000 1.012 110 G CA 0.489 45.672 45.100 0.138 0.000 0.618 110 G HN 0.516 nan 8.290 nan 0.000 0.521 111 V N 0.469 120.400 119.914 0.029 0.000 2.939 111 V HA 0.222 4.347 4.120 0.008 0.000 0.228 111 V C 2.493 178.608 176.094 0.035 0.000 1.162 111 V CA 2.556 64.845 62.300 -0.019 0.000 1.222 111 V CB 0.140 31.896 31.823 -0.111 0.000 1.053 111 V HN 0.845 nan 8.190 nan 0.000 0.504 112 T N -0.674 113.910 114.554 0.049 0.000 3.105 112 T HA 0.311 4.666 4.350 0.008 0.000 0.253 112 T C 0.164 175.024 174.700 0.268 0.000 1.047 112 T CA 0.209 62.354 62.100 0.075 0.000 0.944 112 T CB -0.351 68.533 68.868 0.026 0.000 1.016 112 T HN 0.783 nan 8.240 nan 0.000 0.544 113 E N -1.142 119.247 120.200 0.314 0.000 2.381 113 E HA 0.285 4.639 4.350 0.008 0.000 0.281 113 E C -1.496 175.078 176.600 -0.044 0.000 1.151 113 E CA -1.139 55.364 56.400 0.171 0.000 0.904 113 E CB -0.027 29.735 29.700 0.103 0.000 1.234 113 E HN 0.093 nan 8.360 nan 0.000 0.427 114 c N 1.359 119.794 118.600 -0.275 0.000 2.563 114 c HA 0.449 5.023 4.570 0.008 0.000 0.358 114 c C -2.036 171.822 174.090 -0.387 0.000 1.336 114 c CA -0.787 55.385 56.329 -0.263 0.000 2.454 114 c CB -0.391 42.002 42.510 -0.196 0.000 2.448 114 c HN 0.586 nan 8.230 nan 0.000 0.670 115 P HA 0.154 nan 4.420 nan 0.000 0.265 115 P C -0.666 176.277 177.300 -0.594 0.000 1.193 115 P CA 0.336 62.906 63.100 -0.883 0.000 0.765 115 P CB 0.046 30.748 31.700 -1.663 0.000 0.823 116 I N 5.344 125.693 120.570 -0.369 0.000 2.587 116 I HA 0.069 4.243 4.170 0.008 0.000 0.284 116 I C -1.926 174.082 176.117 -0.181 0.000 1.134 116 I CA -1.672 59.511 61.300 -0.195 0.000 1.410 116 I CB -0.156 37.774 38.000 -0.117 0.000 1.392 116 I HN 0.179 nan 8.210 nan 0.000 0.545 117 P HA 0.109 nan 4.420 nan 0.000 0.271 117 P C -2.280 174.933 177.300 -0.145 0.000 1.218 117 P CA -0.931 62.212 63.100 0.072 0.000 0.780 117 P CB 0.012 31.794 31.700 0.136 0.000 0.901 118 P HA -0.035 nan 4.420 nan 0.000 0.272 118 P C -0.649 176.547 177.300 -0.173 0.000 1.254 118 P CA 0.058 62.994 63.100 -0.274 0.000 0.795 118 P CB 0.167 31.640 31.700 -0.380 0.000 1.022 119 K N -0.461 119.885 120.400 -0.090 0.000 3.585 119 K HA -0.110 4.214 4.320 0.008 0.000 0.275 119 K C 0.796 177.386 176.600 -0.017 0.000 1.026 119 K CA 0.566 56.833 56.287 -0.033 0.000 0.800 119 K CB -2.437 30.060 32.500 -0.006 0.000 1.401 119 K HN 1.018 nan 8.250 nan 0.000 0.453 120 G N -1.004 107.788 108.800 -0.013 0.000 2.160 120 G HA2 -0.279 3.686 3.960 0.008 0.000 0.251 120 G HA3 -0.279 3.686 3.960 0.008 0.000 0.251 120 G C 0.466 175.362 174.900 -0.007 0.000 1.008 120 G CA 0.026 45.124 45.100 -0.004 0.000 0.724 120 G HN 0.870 nan 8.290 nan 0.000 0.514 121 G N -0.797 107.988 108.800 -0.024 0.000 2.544 121 G HA2 0.625 4.590 3.960 0.008 0.000 0.242 121 G HA3 0.625 4.590 3.960 0.008 0.000 0.242 121 G C -0.057 174.834 174.900 -0.014 0.000 1.247 121 G CA 0.649 45.737 45.100 -0.020 0.000 0.840 121 G HN 1.442 nan 8.290 nan 0.000 0.578 122 Q N -0.207 119.583 119.800 -0.016 0.000 2.352 122 Q HA 0.631 4.976 4.340 0.008 0.000 0.270 122 Q C -1.266 174.709 176.000 -0.042 0.000 1.006 122 Q CA -1.099 54.695 55.803 -0.015 0.000 0.880 122 Q CB 2.190 30.927 28.738 -0.003 0.000 1.392 122 Q HN 0.551 nan 8.270 nan 0.000 0.401 123 R N 1.767 122.232 120.500 -0.058 0.000 2.643 123 R HA 0.517 4.862 4.340 0.008 0.000 0.269 123 R C -1.677 174.538 176.300 -0.142 0.000 1.037 123 R CA -0.339 55.680 56.100 -0.136 0.000 0.894 123 R CB 2.677 32.838 30.300 -0.231 0.000 1.238 123 R HN 0.874 nan 8.270 nan 0.000 0.459 124 T N 4.109 118.575 114.554 -0.147 0.000 2.791 124 T HA 0.415 4.770 4.350 0.008 0.000 0.288 124 T C -0.914 173.760 174.700 -0.043 0.000 0.999 124 T CA -0.315 61.740 62.100 -0.075 0.000 0.952 124 T CB 0.239 69.082 68.868 -0.042 0.000 0.938 124 T HN 0.271 nan 8.240 nan 0.000 0.444 125 Y N 2.338 122.707 120.300 0.116 0.000 2.299 125 Y HA 0.538 5.092 4.550 0.007 0.000 0.326 125 Y C 0.893 176.668 175.900 -0.208 0.000 1.164 125 Y CA -0.862 57.367 58.100 0.216 0.000 1.234 125 Y CB 0.890 39.476 38.460 0.211 0.000 1.219 125 Y HN 0.449 nan 8.280 nan 0.000 0.497 126 R N 5.084 125.394 120.500 -0.317 0.000 2.575 126 R HA 0.479 4.824 4.340 0.008 0.000 0.293 126 R C -1.958 174.018 176.300 -0.539 0.000 0.983 126 R CA -0.608 55.159 56.100 -0.555 0.000 0.887 126 R CB 1.480 31.532 30.300 -0.413 0.000 1.184 126 R HN 0.908 nan 8.270 nan 0.000 0.445 127 W N 2.492 123.556 121.300 -0.392 0.000 3.118 127 W HA 0.476 5.140 4.660 0.008 0.000 0.328 127 W C -1.583 174.828 176.519 -0.180 0.000 1.239 127 W CA -1.213 55.971 57.345 -0.268 0.000 1.176 127 W CB 0.704 30.013 29.460 -0.252 0.000 1.433 127 W HN 0.519 nan 8.180 nan 0.000 0.562 128 R N 1.535 122.158 120.500 0.205 0.000 2.368 128 R HA 0.603 4.947 4.340 0.008 0.000 0.302 128 R C -0.365 176.110 176.300 0.291 0.000 1.002 128 R CA -0.215 55.959 56.100 0.124 0.000 0.929 128 R CB 1.477 31.826 30.300 0.082 0.000 1.073 128 R HN 0.564 nan 8.270 nan 0.000 0.464 129 A N 5.231 128.193 122.820 0.237 0.000 2.807 129 A HA 0.248 4.573 4.320 0.008 0.000 0.307 129 A C -0.159 177.633 177.584 0.347 0.000 1.532 129 A CA -0.463 51.776 52.037 0.337 0.000 1.215 129 A CB -0.171 19.012 19.000 0.305 0.000 1.127 129 A HN 0.870 nan 8.150 nan 0.000 0.543 130 R N 1.003 121.689 120.500 0.310 0.000 2.721 130 R HA 0.221 4.566 4.340 0.008 0.000 0.296 130 R C -0.231 176.267 176.300 0.330 0.000 1.174 130 R CA 0.137 56.477 56.100 0.400 0.000 1.129 130 R CB 0.037 30.506 30.300 0.280 0.000 1.316 130 R HN 0.793 nan 8.270 nan 0.000 0.571 131 Q N 0.563 120.420 119.800 0.095 0.000 2.430 131 Q HA 0.154 4.499 4.340 0.008 0.000 0.253 131 Q C -1.729 174.005 176.000 -0.443 0.000 0.945 131 Q CA -0.831 54.760 55.803 -0.354 0.000 0.964 131 Q CB 1.283 29.806 28.738 -0.359 0.000 1.460 131 Q HN 0.239 nan 8.270 nan 0.000 0.428 132 Y N 1.185 121.043 120.300 -0.735 0.000 2.534 132 Y HA 1.007 5.562 4.550 0.008 0.000 0.329 132 Y C 0.678 176.335 175.900 -0.405 0.000 1.154 132 Y CA 0.018 57.814 58.100 -0.506 0.000 1.192 132 Y CB 1.453 39.534 38.460 -0.633 0.000 1.275 132 Y HN 0.773 nan 8.280 nan 0.000 0.491 133 G N 0.076 108.783 108.800 -0.155 0.000 2.247 133 G HA2 0.291 4.256 3.960 0.008 0.000 0.229 133 G HA3 0.291 4.256 3.960 0.008 0.000 0.229 133 G C -1.408 173.441 174.900 -0.086 0.000 1.345 133 G CA -0.497 44.505 45.100 -0.163 0.000 1.100 133 G HN 0.833 nan 8.290 nan 0.000 0.473 134 T N 0.883 115.382 114.554 -0.091 0.000 2.824 134 T HA 0.826 5.180 4.350 0.008 0.000 0.282 134 T C 0.125 174.806 174.700 -0.031 0.000 0.993 134 T CA 0.381 62.455 62.100 -0.044 0.000 0.967 134 T CB 1.527 70.366 68.868 -0.048 0.000 0.960 134 T HN 1.508 nan 8.240 nan 0.000 0.441 135 S N 1.426 117.145 115.700 0.032 0.000 3.576 135 S HA 0.850 5.325 4.470 0.008 0.000 0.321 135 S C -1.810 172.924 174.600 0.224 0.000 1.174 135 S CA -1.079 57.199 58.200 0.131 0.000 1.102 135 S CB 1.413 64.671 63.200 0.096 0.000 1.467 135 S HN 0.973 nan 8.310 nan 0.000 0.701 136 W N -0.127 121.103 121.300 -0.117 0.000 3.064 136 W HA 0.627 5.292 4.660 0.007 0.000 0.328 136 W C -2.712 173.710 176.519 -0.162 0.000 1.210 136 W CA -1.416 55.823 57.345 -0.177 0.000 1.178 136 W CB -0.218 29.047 29.460 -0.325 0.000 1.416 136 W HN 0.916 nan 8.180 nan 0.000 0.568 137 Y N 0.409 120.608 120.300 -0.168 0.000 2.545 137 Y HA 0.844 5.399 4.550 0.007 0.000 0.348 137 Y C -0.700 174.838 175.900 -0.604 0.000 1.002 137 Y CA -1.187 56.535 58.100 -0.631 0.000 1.039 137 Y CB 1.772 39.887 38.460 -0.575 0.000 1.271 137 Y HN 0.727 nan 8.280 nan 0.000 0.467 138 H N -1.761 116.959 119.070 -0.583 0.000 2.967 138 H HA 0.511 5.071 4.556 0.008 0.000 0.318 138 H C -0.967 174.191 175.328 -0.284 0.000 1.375 138 H CA -1.101 54.664 56.048 -0.472 0.000 1.132 138 H CB 0.778 30.043 29.762 -0.828 0.000 1.848 138 H HN 0.780 nan 8.280 nan 0.000 0.524 139 S N -0.512 115.226 115.700 0.064 0.000 2.560 139 S HA -0.033 4.442 4.470 0.008 0.000 0.276 139 S C 0.055 174.828 174.600 0.288 0.000 1.350 139 S CA 0.008 58.309 58.200 0.169 0.000 1.024 139 S CB -0.066 63.274 63.200 0.234 0.000 0.864 139 S HN 0.804 nan 8.310 nan 0.000 0.536 140 H N 2.241 121.451 119.070 0.232 0.000 2.750 140 H HA 0.229 4.789 4.556 0.007 0.000 0.252 140 H C -1.070 174.389 175.328 0.219 0.000 1.176 140 H CA -0.353 55.828 56.048 0.221 0.000 0.987 140 H CB -0.111 29.724 29.762 0.121 0.000 1.810 140 H HN 0.545 nan 8.280 nan 0.000 0.630 141 F N 1.717 121.787 119.950 0.200 0.000 2.351 141 F HA 0.309 4.840 4.527 0.006 0.000 0.362 141 F C 1.003 176.950 175.800 0.246 0.000 1.131 141 F CA 0.085 58.157 58.000 0.120 0.000 1.187 141 F CB 0.072 38.995 39.000 -0.129 0.000 1.434 141 F HN 0.051 nan 8.300 nan 0.000 0.553 142 S N 2.895 118.662 115.700 0.112 0.000 4.108 142 S HA -0.365 4.110 4.470 0.008 0.000 0.550 142 S C 0.983 175.667 174.600 0.139 0.000 1.916 142 S CA 1.599 59.869 58.200 0.117 0.000 4.207 142 S CB -1.422 61.831 63.200 0.087 0.000 0.522 142 S HN 1.080 nan 8.310 nan 0.000 0.534 143 A N 1.070 123.967 122.820 0.128 0.000 2.684 143 A HA 0.353 4.678 4.320 0.008 0.000 0.288 143 A C 1.414 179.026 177.584 0.047 0.000 1.337 143 A CA 0.749 52.805 52.037 0.032 0.000 0.946 143 A CB -0.206 18.865 19.000 0.119 0.000 1.093 143 A HN 0.568 nan 8.150 nan 0.000 0.543 144 Q N -0.364 119.543 119.800 0.178 0.000 2.230 144 Q HA -0.197 4.148 4.340 0.008 0.000 0.202 144 Q C 1.616 177.718 176.000 0.169 0.000 0.963 144 Q CA 1.895 57.822 55.803 0.208 0.000 0.866 144 Q CB -0.289 28.633 28.738 0.306 0.000 0.931 144 Q HN 0.930 nan 8.270 nan 0.000 0.452 145 Y N -1.276 119.077 120.300 0.088 0.000 2.315 145 Y HA 0.067 4.622 4.550 0.009 0.000 0.288 145 Y C 1.795 177.728 175.900 0.056 0.000 1.154 145 Y CA 1.194 59.330 58.100 0.061 0.000 1.229 145 Y CB -1.107 37.386 38.460 0.055 0.000 0.980 145 Y HN 0.025 nan 8.280 nan 0.000 0.540 146 G N 0.676 109.357 108.800 -0.198 0.000 2.564 146 G HA2 -0.267 3.698 3.960 0.008 0.000 0.216 146 G HA3 -0.267 3.698 3.960 0.008 0.000 0.216 146 G C 1.273 176.219 174.900 0.076 0.000 1.124 146 G CA 0.881 45.931 45.100 -0.082 0.000 0.764 146 G HN 0.459 nan 8.290 nan 0.000 0.550 147 N N -0.207 118.539 118.700 0.076 0.000 2.325 147 N HA 0.156 4.901 4.740 0.008 0.000 0.182 147 N C 1.668 177.184 175.510 0.010 0.000 1.088 147 N CA 0.957 54.039 53.050 0.052 0.000 0.879 147 N CB 0.831 39.345 38.487 0.045 0.000 0.983 147 N HN 0.402 nan 8.380 nan 0.000 0.471 148 G N -0.622 108.210 108.800 0.054 0.000 2.367 148 G HA2 -0.218 3.747 3.960 0.008 0.000 0.181 148 G HA3 -0.218 3.747 3.960 0.008 0.000 0.181 148 G C -0.047 174.858 174.900 0.008 0.000 1.000 148 G CA -0.174 44.931 45.100 0.007 0.000 0.693 148 G HN 0.094 nan 8.290 nan 0.000 0.480 149 V N 1.769 121.712 119.914 0.050 0.000 2.070 149 V HA 0.498 4.623 4.120 0.008 0.000 0.239 149 V C 0.588 176.721 176.094 0.065 0.000 1.472 149 V CA 0.661 62.991 62.300 0.051 0.000 1.453 149 V CB 0.118 31.989 31.823 0.080 0.000 1.503 149 V HN 0.785 nan 8.190 nan 0.000 0.501 150 V N 2.219 122.112 119.914 -0.037 0.000 3.087 150 V HA 1.051 5.175 4.120 0.008 0.000 0.306 150 V C -0.018 175.811 176.094 -0.442 0.000 1.187 150 V CA 0.518 62.725 62.300 -0.154 0.000 0.999 150 V CB 2.362 34.205 31.823 0.034 0.000 1.049 150 V HN 0.729 nan 8.190 nan 0.000 0.431 151 G N 2.436 110.678 108.800 -0.931 0.000 2.427 151 G HA2 0.680 4.644 3.960 0.008 0.000 0.306 151 G HA3 0.680 4.644 3.960 0.008 0.000 0.306 151 G C -0.691 173.659 174.900 -0.917 0.000 1.280 151 G CA 0.244 44.778 45.100 -0.944 0.000 0.837 151 G HN 1.494 nan 8.290 nan 0.000 0.482 152 T N -2.084 112.272 114.554 -0.330 0.000 2.907 152 T HA 0.810 5.165 4.350 0.008 0.000 0.290 152 T C -0.753 174.105 174.700 0.263 0.000 1.066 152 T CA -0.745 61.362 62.100 0.012 0.000 1.012 152 T CB 2.042 70.906 68.868 -0.006 0.000 1.184 152 T HN 0.709 nan 8.240 nan 0.000 0.522 153 I N 0.798 121.497 120.570 0.215 0.000 2.569 153 I HA 0.441 4.616 4.170 0.008 0.000 0.290 153 I C -0.852 175.348 176.117 0.138 0.000 1.088 153 I CA -0.704 60.729 61.300 0.223 0.000 1.047 153 I CB 2.460 40.624 38.000 0.274 0.000 1.237 153 I HN 0.721 nan 8.210 nan 0.000 0.421 154 Q N 6.817 126.699 119.800 0.137 0.000 2.397 154 Q HA 0.434 4.779 4.340 0.008 0.000 0.260 154 Q C -1.648 174.424 176.000 0.121 0.000 1.002 154 Q CA -0.608 55.257 55.803 0.103 0.000 0.716 154 Q CB 1.306 30.101 28.738 0.094 0.000 1.258 154 Q HN 0.509 nan 8.270 nan 0.000 0.477 155 I N 3.741 124.375 120.570 0.107 0.000 2.291 155 I HA 0.228 4.403 4.170 0.008 0.000 0.290 155 I C 0.113 176.284 176.117 0.091 0.000 1.050 155 I CA -0.485 60.892 61.300 0.130 0.000 1.245 155 I CB 0.190 38.272 38.000 0.136 0.000 1.405 155 I HN 0.621 nan 8.210 nan 0.000 0.478 156 N N 4.590 123.358 118.700 0.113 0.000 2.416 156 N HA 0.477 5.222 4.740 0.008 0.000 0.246 156 N C 0.542 175.869 175.510 -0.305 0.000 1.260 156 N CA 0.374 53.459 53.050 0.058 0.000 0.897 156 N CB 1.403 40.046 38.487 0.260 0.000 1.110 156 N HN 0.880 nan 8.380 nan 0.000 0.439 157 G N 0.242 108.443 108.800 -0.998 0.000 2.320 157 G HA2 0.246 4.211 3.960 0.008 0.000 0.296 157 G HA3 0.246 4.211 3.960 0.008 0.000 0.296 157 G C -3.239 170.874 174.900 -1.312 0.000 1.306 157 G CA -0.693 43.209 45.100 -1.995 0.000 0.836 157 G HN 0.351 nan 8.290 nan 0.000 0.517 158 P HA 0.598 nan 4.420 nan 0.000 0.276 158 P C -0.320 176.932 177.300 -0.080 0.000 1.261 158 P CA 0.077 63.040 63.100 -0.228 0.000 0.800 158 P CB 1.869 33.531 31.700 -0.064 0.000 1.066 159 A N 0.354 123.234 122.820 0.100 0.000 2.486 159 A HA 0.521 4.846 4.320 0.008 0.000 0.289 159 A C 0.769 178.444 177.584 0.153 0.000 1.176 159 A CA -0.310 51.831 52.037 0.174 0.000 0.757 159 A CB 0.468 19.664 19.000 0.325 0.000 1.337 159 A HN 0.455 nan 8.150 nan 0.000 0.423 160 S N -0.789 114.993 115.700 0.137 0.000 2.701 160 S HA 0.442 4.917 4.470 0.008 0.000 0.220 160 S C -0.128 174.540 174.600 0.113 0.000 0.954 160 S CA 0.285 58.553 58.200 0.113 0.000 0.936 160 S CB -0.701 62.554 63.200 0.092 0.000 0.777 160 S HN 0.755 nan 8.310 nan 0.000 0.518 161 L N 1.316 122.628 121.223 0.148 0.000 2.612 161 L HA 0.509 4.854 4.340 0.008 0.000 0.256 161 L C -2.755 174.223 176.870 0.179 0.000 0.949 161 L CA -1.579 53.344 54.840 0.139 0.000 0.867 161 L CB 2.024 44.167 42.059 0.139 0.000 1.417 161 L HN -0.180 nan 8.230 nan 0.000 0.414 162 P HA 0.347 nan 4.420 nan 0.000 0.275 162 P C -1.909 175.460 177.300 0.115 0.000 1.228 162 P CA 0.126 63.245 63.100 0.032 0.000 0.786 162 P CB 0.694 32.399 31.700 0.007 0.000 0.927 163 Y N -1.234 119.069 120.300 0.006 0.000 2.565 163 Y HA 0.375 4.930 4.550 0.008 0.000 0.330 163 Y C 0.065 175.941 175.900 -0.041 0.000 1.150 163 Y CA -0.961 57.128 58.100 -0.017 0.000 1.055 163 Y CB 0.124 38.584 38.460 0.000 0.000 1.337 163 Y HN 0.145 nan 8.280 nan 0.000 0.457 164 D N 2.158 122.568 120.400 0.016 0.000 2.277 164 D HA 0.186 4.831 4.640 0.008 0.000 0.209 164 D C 0.188 176.473 176.300 -0.024 0.000 0.970 164 D CA 1.141 55.098 54.000 -0.071 0.000 0.874 164 D CB 1.357 42.086 40.800 -0.119 0.000 0.982 164 D HN 0.498 nan 8.370 nan 0.000 0.504 165 I N 1.312 121.902 120.570 0.033 0.000 2.466 165 I HA 0.122 4.297 4.170 0.008 0.000 0.289 165 I C -0.700 175.528 176.117 0.185 0.000 1.026 165 I CA -0.867 60.463 61.300 0.049 0.000 1.078 165 I CB 2.610 40.553 38.000 -0.096 0.000 1.249 165 I HN -0.341 nan 8.210 nan 0.000 0.429 166 D N 6.650 127.172 120.400 0.204 0.000 2.422 166 D HA 0.222 4.867 4.640 0.008 0.000 0.227 166 D C 0.940 177.262 176.300 0.037 0.000 1.190 166 D CA -0.065 54.004 54.000 0.116 0.000 0.905 166 D CB 0.935 41.845 40.800 0.183 0.000 1.034 166 D HN 0.432 nan 8.370 nan 0.000 0.507 167 L N 2.827 124.043 121.223 -0.012 0.000 2.549 167 L HA 0.083 4.428 4.340 0.008 0.000 0.230 167 L C 1.671 178.513 176.870 -0.046 0.000 1.162 167 L CA 0.446 55.254 54.840 -0.054 0.000 0.834 167 L CB -0.979 40.994 42.059 -0.142 0.000 0.947 167 L HN 0.602 nan 8.230 nan 0.000 0.452 168 G N -0.037 108.749 108.800 -0.022 0.000 2.645 168 G HA2 -0.253 3.711 3.960 0.008 0.000 0.246 168 G HA3 -0.253 3.711 3.960 0.008 0.000 0.246 168 G C -0.091 174.820 174.900 0.018 0.000 1.322 168 G CA -0.273 44.833 45.100 0.010 0.000 0.898 168 G HN 0.298 nan 8.290 nan 0.000 0.573 169 V N -3.141 116.800 119.914 0.046 0.000 2.881 169 V HA 0.716 4.841 4.120 0.008 0.000 0.303 169 V C 0.340 176.524 176.094 0.150 0.000 1.070 169 V CA -0.002 62.335 62.300 0.061 0.000 1.074 169 V CB 1.502 33.344 31.823 0.032 0.000 1.012 169 V HN 1.527 nan 8.190 nan 0.000 0.482 170 F N 5.242 125.130 119.950 -0.104 0.000 2.872 170 F HA 0.544 5.076 4.527 0.009 0.000 0.365 170 F C -2.601 173.114 175.800 -0.142 0.000 1.296 170 F CA -2.707 55.218 58.000 -0.126 0.000 1.199 170 F CB 1.520 40.433 39.000 -0.145 0.000 1.687 170 F HN 0.479 nan 8.300 nan 0.000 0.604 171 P HA 0.300 nan 4.420 nan 0.000 0.281 171 P C -0.401 176.699 177.300 -0.333 0.000 1.252 171 P CA 0.105 63.043 63.100 -0.269 0.000 0.778 171 P CB 1.652 33.201 31.700 -0.251 0.000 0.895 172 I N 2.312 122.707 120.570 -0.291 0.000 2.377 172 I HA 0.393 4.567 4.170 0.008 0.000 0.293 172 I C 0.710 176.774 176.117 -0.088 0.000 0.987 172 I CA -0.277 60.850 61.300 -0.288 0.000 1.185 172 I CB 1.851 39.617 38.000 -0.391 0.000 1.341 172 I HN 0.265 nan 8.210 nan 0.000 0.455 173 T N 4.172 118.684 114.554 -0.069 0.000 2.921 173 T HA 0.236 4.591 4.350 0.008 0.000 0.297 173 T C -0.898 173.925 174.700 0.206 0.000 1.013 173 T CA -0.822 61.348 62.100 0.117 0.000 0.990 173 T CB 0.802 69.692 68.868 0.036 0.000 1.023 173 T HN 0.718 nan 8.240 nan 0.000 0.447 174 D N 2.887 123.485 120.400 0.329 0.000 2.443 174 D HA 0.090 4.735 4.640 0.008 0.000 0.234 174 D C -0.712 175.582 176.300 -0.010 0.000 1.172 174 D CA 0.276 54.352 54.000 0.127 0.000 0.878 174 D CB 0.198 41.046 40.800 0.081 0.000 1.204 174 D HN 0.495 nan 8.370 nan 0.000 0.453 175 Y N 0.816 120.847 120.300 -0.448 0.000 2.362 175 Y HA 0.402 4.957 4.550 0.009 0.000 0.326 175 Y C -1.998 173.552 175.900 -0.584 0.000 1.083 175 Y CA -1.055 56.858 58.100 -0.311 0.000 1.073 175 Y CB 1.159 39.536 38.460 -0.139 0.000 1.211 175 Y HN 0.383 nan 8.280 nan 0.000 0.433 176 Y N 5.622 125.586 120.300 -0.560 0.000 2.406 176 Y HA 0.288 4.843 4.550 0.008 0.000 0.340 176 Y C -0.290 175.300 175.900 -0.517 0.000 0.975 176 Y CA -0.839 56.983 58.100 -0.464 0.000 1.056 176 Y CB 1.188 39.549 38.460 -0.165 0.000 1.210 176 Y HN 0.618 nan 8.280 nan 0.000 0.448 177 Y N 0.061 120.289 120.300 -0.119 0.000 2.373 177 Y HA 0.042 4.596 4.550 0.007 0.000 0.293 177 Y C 1.259 177.135 175.900 -0.040 0.000 1.129 177 Y CA 0.217 58.247 58.100 -0.117 0.000 1.226 177 Y CB -0.142 38.285 38.460 -0.055 0.000 1.000 177 Y HN 0.310 nan 8.280 nan 0.000 0.549 178 R N 0.575 121.130 120.500 0.092 0.000 2.637 178 R HA 0.478 4.822 4.340 0.008 0.000 0.269 178 R C 0.171 176.487 176.300 0.027 0.000 1.089 178 R CA -0.060 56.051 56.100 0.020 0.000 1.177 178 R CB 0.337 30.592 30.300 -0.075 0.000 1.091 178 R HN 0.099 nan 8.270 nan 0.000 0.540 179 A N 0.689 123.516 122.820 0.011 0.000 2.316 179 A HA 0.482 4.807 4.320 0.008 0.000 0.284 179 A C 1.226 178.826 177.584 0.028 0.000 1.115 179 A CA 0.209 52.265 52.037 0.032 0.000 0.812 179 A CB 0.783 19.799 19.000 0.027 0.000 1.064 179 A HN 0.800 nan 8.150 nan 0.000 0.489 180 A N 1.090 123.955 122.820 0.074 0.000 1.896 180 A HA -0.262 4.062 4.320 0.008 0.000 0.220 180 A C 1.596 179.250 177.584 0.117 0.000 1.206 180 A CA 2.401 54.517 52.037 0.133 0.000 0.647 180 A CB -0.822 18.260 19.000 0.136 0.000 0.828 180 A HN 0.857 nan 8.150 nan 0.000 0.455 181 D N -0.448 120.010 120.400 0.096 0.000 2.144 181 D HA -0.123 4.522 4.640 0.008 0.000 0.199 181 D C 1.323 177.672 176.300 0.081 0.000 0.984 181 D CA 1.478 55.540 54.000 0.103 0.000 0.834 181 D CB -0.378 40.472 40.800 0.082 0.000 0.955 181 D HN 0.430 nan 8.370 nan 0.000 0.465 182 D N 0.851 121.266 120.400 0.025 0.000 2.097 182 D HA -0.078 4.566 4.640 0.008 0.000 0.195 182 D C 2.454 178.755 176.300 0.001 0.000 0.989 182 D CA 0.321 54.324 54.000 0.006 0.000 0.827 182 D CB -0.407 40.358 40.800 -0.058 0.000 0.966 182 D HN 0.217 nan 8.370 nan 0.000 0.456 183 L N 0.361 121.510 121.223 -0.124 0.000 2.012 183 L HA -0.178 4.167 4.340 0.008 0.000 0.210 183 L C 2.615 179.242 176.870 -0.406 0.000 1.073 183 L CA 0.735 55.350 54.840 -0.375 0.000 0.748 183 L CB -0.556 41.113 42.059 -0.649 0.000 0.891 183 L HN -0.049 nan 8.230 nan 0.000 0.431 184 V N -0.224 119.588 119.914 -0.170 0.000 2.250 184 V HA -0.412 3.712 4.120 0.008 0.000 0.250 184 V C 2.501 178.615 176.094 0.034 0.000 1.060 184 V CA 2.486 64.803 62.300 0.029 0.000 1.030 184 V CB -0.612 31.312 31.823 0.169 0.000 0.643 184 V HN 0.577 nan 8.190 nan 0.000 0.445 185 H N -1.160 117.926 119.070 0.028 0.000 2.267 185 H HA -0.264 4.299 4.556 0.011 0.000 0.297 185 H C 2.004 177.385 175.328 0.090 0.000 1.080 185 H CA 2.580 58.665 56.048 0.060 0.000 1.278 185 H CB -0.424 29.373 29.762 0.059 0.000 1.365 185 H HN 0.342 nan 8.280 nan 0.000 0.489 186 F N 1.359 121.346 119.950 0.061 0.000 2.063 186 F HA -0.283 4.248 4.527 0.006 0.000 0.298 186 F C 2.599 178.342 175.800 -0.096 0.000 1.109 186 F CA 2.432 60.416 58.000 -0.027 0.000 1.212 186 F CB -1.030 37.908 39.000 -0.103 0.000 0.973 186 F HN 0.420 nan 8.300 nan 0.000 0.480 187 T N -2.151 112.283 114.554 -0.201 0.000 3.160 187 T HA -0.067 4.288 4.350 0.008 0.000 0.257 187 T C 1.596 176.293 174.700 -0.005 0.000 1.147 187 T CA 0.682 62.623 62.100 -0.264 0.000 1.064 187 T CB -0.325 68.315 68.868 -0.381 0.000 0.949 187 T HN 0.461 nan 8.240 nan 0.000 0.526 188 Q N 1.279 121.065 119.800 -0.023 0.000 2.230 188 Q HA 0.063 4.408 4.340 0.008 0.000 0.202 188 Q C 1.032 177.078 176.000 0.076 0.000 0.963 188 Q CA 0.788 56.616 55.803 0.041 0.000 0.866 188 Q CB 0.065 28.738 28.738 -0.109 0.000 0.931 188 Q HN 0.599 nan 8.270 nan 0.000 0.452 189 N N 0.317 119.012 118.700 -0.008 0.000 2.305 189 N HA 0.178 4.922 4.740 0.008 0.000 0.248 189 N C -0.946 174.584 175.510 0.034 0.000 1.290 189 N CA 0.066 53.075 53.050 -0.069 0.000 0.873 189 N CB 0.828 39.223 38.487 -0.153 0.000 1.261 189 N HN 0.148 nan 8.380 nan 0.000 0.504 190 N N 0.226 118.960 118.700 0.056 0.000 2.504 190 N HA 0.219 4.964 4.740 0.008 0.000 0.268 190 N C -0.976 174.351 175.510 -0.305 0.000 1.184 190 N CA -0.487 52.461 53.050 -0.169 0.000 0.875 190 N CB 2.048 40.027 38.487 -0.847 0.000 1.630 190 N HN -0.043 nan 8.380 nan 0.000 0.486 191 A N 1.599 124.292 122.820 -0.212 0.000 2.555 191 A HA 0.288 4.613 4.320 0.008 0.000 0.233 191 A C -2.056 175.438 177.584 -0.149 0.000 1.060 191 A CA -0.205 51.706 52.037 -0.209 0.000 0.759 191 A CB -0.650 18.296 19.000 -0.090 0.000 0.995 191 A HN 0.378 nan 8.150 nan 0.000 0.506 192 P HA 0.413 nan 4.420 nan 0.000 0.278 192 P C -2.671 174.713 177.300 0.140 0.000 1.238 192 P CA -1.318 61.773 63.100 -0.016 0.000 0.794 192 P CB 0.024 31.795 31.700 0.119 0.000 0.955 193 P HA 0.316 nan 4.420 nan 0.000 0.278 193 P C -0.461 177.089 177.300 0.416 0.000 1.258 193 P CA -0.479 62.781 63.100 0.268 0.000 0.811 193 P CB 0.360 32.184 31.700 0.207 0.000 1.063 194 F N 0.256 120.260 119.950 0.090 0.000 2.496 194 F HA 0.120 4.652 4.527 0.007 0.000 0.344 194 F C 1.582 177.436 175.800 0.089 0.000 1.155 194 F CA -0.422 57.597 58.000 0.032 0.000 1.302 194 F CB -0.129 38.833 39.000 -0.063 0.000 1.159 194 F HN 0.266 nan 8.300 nan 0.000 0.595 195 S N 0.966 116.701 115.700 0.058 0.000 2.584 195 S HA 0.086 4.560 4.470 0.008 0.000 0.270 195 S C 0.483 174.947 174.600 -0.226 0.000 1.346 195 S CA -0.661 57.336 58.200 -0.338 0.000 1.018 195 S CB 0.797 63.720 63.200 -0.461 0.000 0.899 195 S HN 0.549 nan 8.310 nan 0.000 0.542 196 D N 0.498 120.650 120.400 -0.414 0.000 2.333 196 D HA 0.195 4.840 4.640 0.008 0.000 0.208 196 D C 0.275 176.439 176.300 -0.228 0.000 0.984 196 D CA 0.730 54.491 54.000 -0.399 0.000 0.873 196 D CB -0.224 39.923 40.800 -1.088 0.000 0.935 196 D HN 0.512 nan 8.370 nan 0.000 0.521 197 N N -1.074 117.516 118.700 -0.184 0.000 3.545 197 N HA 0.049 4.793 4.740 0.008 0.000 0.227 197 N C -2.049 173.458 175.510 -0.004 0.000 1.380 197 N CA -0.397 52.641 53.050 -0.021 0.000 0.892 197 N CB 1.292 39.827 38.487 0.079 0.000 1.441 197 N HN -0.348 nan 8.380 nan 0.000 0.497 198 V N 2.274 122.173 119.914 -0.025 0.000 2.409 198 V HA 0.516 4.641 4.120 0.008 0.000 0.291 198 V C 0.003 176.007 176.094 -0.149 0.000 1.020 198 V CA -0.674 61.583 62.300 -0.071 0.000 0.848 198 V CB 1.208 32.923 31.823 -0.181 0.000 0.990 198 V HN 0.461 nan 8.190 nan 0.000 0.430 199 L N 6.154 127.281 121.223 -0.160 0.000 2.305 199 L HA 0.551 4.896 4.340 0.008 0.000 0.281 199 L C -0.411 176.304 176.870 -0.259 0.000 1.085 199 L CA -0.096 54.611 54.840 -0.221 0.000 0.813 199 L CB 0.919 42.832 42.059 -0.244 0.000 1.157 199 L HN 0.468 nan 8.230 nan 0.000 0.436 200 I N 3.420 123.828 120.570 -0.270 0.000 2.378 200 I HA 0.219 4.394 4.170 0.008 0.000 0.291 200 I C 0.497 176.365 176.117 -0.414 0.000 0.992 200 I CA -0.674 60.383 61.300 -0.405 0.000 1.154 200 I CB 1.353 39.139 38.000 -0.355 0.000 1.315 200 I HN 0.637 nan 8.210 nan 0.000 0.448 201 N N 4.925 123.314 118.700 -0.517 0.000 2.696 201 N HA -0.236 4.508 4.740 0.008 0.000 0.254 201 N C 0.791 176.204 175.510 -0.161 0.000 0.988 201 N CA 1.463 54.346 53.050 -0.279 0.000 0.775 201 N CB -0.563 37.835 38.487 -0.147 0.000 0.933 201 N HN 1.129 nan 8.380 nan 0.000 0.539 202 G N -3.172 105.526 108.800 -0.170 0.000 2.195 202 G HA2 -0.197 3.767 3.960 0.008 0.000 0.224 202 G HA3 -0.197 3.767 3.960 0.008 0.000 0.224 202 G C 0.166 174.987 174.900 -0.132 0.000 0.990 202 G CA 0.454 45.486 45.100 -0.112 0.000 0.639 202 G HN 0.844 nan 8.290 nan 0.000 0.514 203 T N -0.273 114.190 114.554 -0.152 0.000 2.906 203 T HA 0.883 5.237 4.350 0.008 0.000 0.295 203 T C -0.534 174.060 174.700 -0.175 0.000 1.061 203 T CA 0.867 62.874 62.100 -0.154 0.000 1.000 203 T CB 1.540 70.351 68.868 -0.096 0.000 1.103 203 T HN 1.762 nan 8.240 nan 0.000 0.486 204 A N 2.480 125.179 122.820 -0.202 0.000 2.606 204 A HA 0.759 5.084 4.320 0.008 0.000 0.293 204 A C -1.043 176.388 177.584 -0.254 0.000 1.082 204 A CA -0.609 51.303 52.037 -0.208 0.000 0.685 204 A CB 1.294 20.184 19.000 -0.183 0.000 1.284 204 A HN 0.727 nan 8.150 nan 0.000 0.408 205 V N 2.099 121.793 119.914 -0.367 0.000 2.732 205 V HA 0.223 4.348 4.120 0.008 0.000 0.297 205 V C 0.648 176.648 176.094 -0.157 0.000 1.060 205 V CA -0.782 61.314 62.300 -0.339 0.000 1.038 205 V CB 1.365 32.844 31.823 -0.573 0.000 1.003 205 V HN 0.858 nan 8.190 nan 0.000 0.481 206 N N 5.385 124.033 118.700 -0.088 0.000 2.488 206 N HA 0.224 4.969 4.740 0.008 0.000 0.274 206 N C -1.977 173.525 175.510 -0.012 0.000 1.111 206 N CA -1.620 51.426 53.050 -0.007 0.000 0.974 206 N CB 2.007 40.501 38.487 0.013 0.000 1.089 206 N HN 0.346 nan 8.380 nan 0.000 0.465 207 P HA 0.177 nan 4.420 nan 0.000 0.257 207 P C -0.184 177.133 177.300 0.027 0.000 1.325 207 P CA 0.291 63.401 63.100 0.017 0.000 0.850 207 P CB 0.380 32.093 31.700 0.021 0.000 1.324 208 N N -0.860 117.857 118.700 0.028 0.000 2.332 208 N HA 0.023 4.767 4.740 0.008 0.000 0.190 208 N C 1.290 176.809 175.510 0.015 0.000 1.117 208 N CA 1.036 54.101 53.050 0.026 0.000 0.883 208 N CB 0.384 38.891 38.487 0.034 0.000 1.089 208 N HN 0.244 nan 8.380 nan 0.000 0.480 209 T N -4.187 110.371 114.554 0.006 0.000 3.010 209 T HA 0.329 4.684 4.350 0.008 0.000 0.252 209 T C 1.387 176.083 174.700 -0.007 0.000 0.963 209 T CA 0.905 63.003 62.100 -0.004 0.000 0.952 209 T CB 0.854 69.711 68.868 -0.017 0.000 1.182 209 T HN 0.157 nan 8.240 nan 0.000 0.495 210 G N 1.635 110.426 108.800 -0.015 0.000 2.175 210 G HA2 -0.212 3.753 3.960 0.008 0.000 0.244 210 G HA3 -0.212 3.753 3.960 0.008 0.000 0.244 210 G C -0.216 174.658 174.900 -0.043 0.000 0.982 210 G CA 0.139 45.227 45.100 -0.020 0.000 0.641 210 G HN 0.729 nan 8.290 nan 0.000 0.527 211 E N 0.115 120.285 120.200 -0.049 0.000 2.390 211 E HA 0.511 4.866 4.350 0.008 0.000 0.261 211 E C 0.956 177.501 176.600 -0.092 0.000 1.076 211 E CA 0.465 56.828 56.400 -0.061 0.000 0.905 211 E CB 0.946 30.610 29.700 -0.061 0.000 0.984 211 E HN 1.565 nan 8.360 nan 0.000 0.427 212 G N 1.054 109.797 108.800 -0.096 0.000 2.526 212 G HA2 -0.107 3.858 3.960 0.008 0.000 0.250 212 G HA3 -0.107 3.858 3.960 0.008 0.000 0.250 212 G C -1.354 173.476 174.900 -0.117 0.000 1.289 212 G CA -0.482 44.544 45.100 -0.122 0.000 0.947 212 G HN 0.603 nan 8.290 nan 0.000 0.517 213 Q N -1.537 118.181 119.800 -0.135 0.000 2.462 213 Q HA 0.692 5.036 4.340 0.008 0.000 0.285 213 Q C -1.489 174.443 176.000 -0.112 0.000 1.035 213 Q CA -1.151 54.605 55.803 -0.079 0.000 0.799 213 Q CB 1.718 30.449 28.738 -0.012 0.000 1.452 213 Q HN 0.639 nan 8.270 nan 0.000 0.404 214 Y N 0.655 120.989 120.300 0.056 0.000 2.301 214 Y HA 0.483 5.038 4.550 0.009 0.000 0.328 214 Y C 0.715 176.654 175.900 0.065 0.000 1.242 214 Y CA -0.195 57.961 58.100 0.092 0.000 1.323 214 Y CB 1.040 39.614 38.460 0.190 0.000 1.266 214 Y HN 0.773 nan 8.280 nan 0.000 0.527 215 A N 2.600 125.557 122.820 0.228 0.000 2.498 215 A HA 0.217 4.542 4.320 0.008 0.000 0.239 215 A C -0.194 177.519 177.584 0.215 0.000 1.068 215 A CA -0.061 52.074 52.037 0.164 0.000 0.766 215 A CB -0.185 18.884 19.000 0.115 0.000 1.003 215 A HN 0.739 nan 8.150 nan 0.000 0.497 216 N N 1.355 120.123 118.700 0.112 0.000 2.549 216 N HA 0.426 5.171 4.740 0.008 0.000 0.290 216 N C -1.705 173.739 175.510 -0.110 0.000 1.122 216 N CA -0.331 52.739 53.050 0.034 0.000 0.885 216 N CB 1.593 40.101 38.487 0.036 0.000 1.455 216 N HN 0.306 nan 8.380 nan 0.000 0.521 217 V N 2.133 121.840 119.914 -0.344 0.000 2.459 217 V HA 0.545 4.669 4.120 0.008 0.000 0.295 217 V C 0.451 176.301 176.094 -0.407 0.000 1.029 217 V CA -0.601 61.352 62.300 -0.578 0.000 0.874 217 V CB 1.572 32.548 31.823 -1.412 0.000 0.985 217 V HN 0.620 nan 8.190 nan 0.000 0.438 218 T N 6.212 120.621 114.554 -0.242 0.000 2.845 218 T HA 0.617 4.972 4.350 0.008 0.000 0.288 218 T C -0.264 174.321 174.700 -0.191 0.000 0.980 218 T CA -0.187 61.838 62.100 -0.125 0.000 1.071 218 T CB 0.621 69.482 68.868 -0.011 0.000 0.941 218 T HN 0.369 nan 8.240 nan 0.000 0.487 219 L N 2.758 123.848 121.223 -0.222 0.000 2.317 219 L HA 0.404 4.748 4.340 0.008 0.000 0.281 219 L C 0.480 177.288 176.870 -0.103 0.000 1.024 219 L CA -0.909 53.743 54.840 -0.314 0.000 0.810 219 L CB 1.565 43.202 42.059 -0.704 0.000 1.240 219 L HN 0.570 nan 8.230 nan 0.000 0.427 220 T N 3.780 118.458 114.554 0.206 0.000 2.738 220 T HA 0.182 4.536 4.350 0.008 0.000 0.294 220 T C -2.377 172.342 174.700 0.031 0.000 0.914 220 T CA -1.155 60.995 62.100 0.084 0.000 1.052 220 T CB 0.217 69.107 68.868 0.037 0.000 0.897 220 T HN 0.278 nan 8.240 nan 0.000 0.522 221 P HA 0.007 nan 4.420 nan 0.000 0.259 221 P C 1.163 178.481 177.300 0.030 0.000 1.155 221 P CA 1.206 64.289 63.100 -0.029 0.000 0.759 221 P CB 0.071 31.843 31.700 0.120 0.000 0.753 222 G N 1.723 110.554 108.800 0.051 0.000 2.217 222 G HA2 -0.204 3.761 3.960 0.008 0.000 0.246 222 G HA3 -0.204 3.761 3.960 0.008 0.000 0.246 222 G C 0.209 175.130 174.900 0.034 0.000 0.990 222 G CA -0.141 44.992 45.100 0.054 0.000 0.627 222 G HN 0.521 nan 8.290 nan 0.000 0.522 223 K N 0.562 120.984 120.400 0.036 0.000 2.095 223 K HA 0.573 4.898 4.320 0.008 0.000 0.252 223 K C 0.436 176.996 176.600 -0.066 0.000 0.977 223 K CA -0.650 55.572 56.287 -0.108 0.000 0.900 223 K CB 1.021 33.301 32.500 -0.366 0.000 1.060 223 K HN 0.397 nan 8.250 nan 0.000 0.449 224 R N 1.723 122.143 120.500 -0.133 0.000 2.346 224 R HA 0.368 4.713 4.340 0.008 0.000 0.311 224 R C -0.543 175.736 176.300 -0.035 0.000 0.983 224 R CA -0.687 55.441 56.100 0.047 0.000 0.880 224 R CB 0.653 31.005 30.300 0.086 0.000 1.100 224 R HN 0.521 nan 8.270 nan 0.000 0.453 225 H N 0.581 119.663 119.070 0.021 0.000 2.747 225 H HA 0.433 4.994 4.556 0.008 0.000 0.371 225 H C -0.714 174.552 175.328 -0.104 0.000 1.161 225 H CA -1.000 55.038 56.048 -0.017 0.000 1.167 225 H CB 1.813 31.535 29.762 -0.067 0.000 1.732 225 H HN 0.368 nan 8.280 nan 0.000 0.544 226 R N 2.524 122.968 120.500 -0.093 0.000 2.480 226 R HA 0.502 4.846 4.340 0.008 0.000 0.306 226 R C -1.778 174.414 176.300 -0.180 0.000 0.958 226 R CA -0.963 54.967 56.100 -0.283 0.000 0.861 226 R CB 1.085 30.878 30.300 -0.845 0.000 1.171 226 R HN 0.468 nan 8.270 nan 0.000 0.445 227 L N 4.096 125.231 121.223 -0.145 0.000 2.346 227 L HA 0.517 4.862 4.340 0.008 0.000 0.276 227 L C -0.676 176.147 176.870 -0.079 0.000 1.006 227 L CA -0.469 54.289 54.840 -0.137 0.000 0.817 227 L CB 1.605 43.562 42.059 -0.170 0.000 1.272 227 L HN 0.669 nan 8.230 nan 0.000 0.421 228 R N 6.088 126.566 120.500 -0.037 0.000 2.575 228 R HA 0.467 4.812 4.340 0.008 0.000 0.281 228 R C -0.750 175.572 176.300 0.037 0.000 1.272 228 R CA -0.424 55.669 56.100 -0.012 0.000 1.417 228 R CB 0.304 30.592 30.300 -0.020 0.000 1.121 228 R HN 0.584 nan 8.270 nan 0.000 0.583 229 I N 3.966 124.578 120.570 0.070 0.000 2.598 229 I HA 0.006 4.180 4.170 0.008 0.000 0.284 229 I C -0.296 175.808 176.117 -0.022 0.000 1.140 229 I CA 0.149 61.512 61.300 0.104 0.000 1.420 229 I CB 0.301 38.403 38.000 0.169 0.000 1.387 229 I HN 0.199 nan 8.210 nan 0.000 0.553 230 L N 6.477 127.633 121.223 -0.112 0.000 2.370 230 L HA 0.423 4.768 4.340 0.008 0.000 0.266 230 L C -0.027 176.639 176.870 -0.339 0.000 1.002 230 L CA -0.560 54.106 54.840 -0.290 0.000 0.818 230 L CB 1.168 42.983 42.059 -0.407 0.000 1.325 230 L HN 0.398 nan 8.230 nan 0.000 0.418 231 N N 0.516 118.946 118.700 -0.451 0.000 2.558 231 N HA 0.171 4.915 4.740 0.008 0.000 0.233 231 N C 0.147 175.169 175.510 -0.813 0.000 1.038 231 N CA -0.156 52.630 53.050 -0.439 0.000 0.934 231 N CB 0.804 39.062 38.487 -0.381 0.000 1.175 231 N HN 0.735 nan 8.380 nan 0.000 0.512 232 T N -0.760 113.357 114.554 -0.729 0.000 3.287 232 T HA 0.284 4.639 4.350 0.008 0.000 0.253 232 T C 0.388 174.848 174.700 -0.399 0.000 0.975 232 T CA -0.484 60.993 62.100 -1.038 0.000 0.912 232 T CB -0.354 68.011 68.868 -0.837 0.000 1.071 232 T HN 0.109 nan 8.240 nan 0.000 0.578 233 S N 1.462 116.989 115.700 -0.288 0.000 2.681 233 S HA 0.378 4.852 4.470 0.008 0.000 0.270 233 S C 1.725 176.322 174.600 -0.004 0.000 1.209 233 S CA -0.345 57.809 58.200 -0.076 0.000 0.988 233 S CB 1.287 64.371 63.200 -0.193 0.000 1.006 233 S HN 0.677 nan 8.310 nan 0.000 0.558 234 T N -1.760 112.732 114.554 -0.104 0.000 3.054 234 T HA 0.179 4.533 4.350 0.008 0.000 0.259 234 T C 1.001 175.380 174.700 -0.535 0.000 1.092 234 T CA 0.506 62.313 62.100 -0.488 0.000 1.121 234 T CB 0.092 68.505 68.868 -0.757 0.000 0.912 234 T HN 0.617 nan 8.240 nan 0.000 0.489 235 E N 0.810 120.846 120.200 -0.274 0.000 3.297 235 E HA 0.115 4.469 4.350 0.008 0.000 0.232 235 E C -0.348 176.217 176.600 -0.058 0.000 1.143 235 E CA -0.203 56.098 56.400 -0.164 0.000 1.741 235 E CB 0.097 29.824 29.700 0.045 0.000 1.925 235 E HN 0.428 nan 8.360 nan 0.000 0.924 236 N N 0.937 119.577 118.700 -0.099 0.000 2.356 236 N HA -0.016 4.729 4.740 0.008 0.000 0.252 236 N C -0.811 174.324 175.510 -0.624 0.000 1.241 236 N CA 0.439 53.359 53.050 -0.216 0.000 0.861 236 N CB 0.251 38.640 38.487 -0.164 0.000 1.075 236 N HN 0.159 nan 8.380 nan 0.000 0.461 237 H N 1.209 119.991 119.070 -0.481 0.000 2.492 237 H HA 0.491 5.051 4.556 0.008 0.000 0.345 237 H C -0.859 174.121 175.328 -0.580 0.000 1.136 237 H CA -0.231 55.434 56.048 -0.638 0.000 1.202 237 H CB 0.737 30.376 29.762 -0.206 0.000 1.524 237 H HN 0.311 nan 8.280 nan 0.000 0.506 238 F N 0.377 120.035 119.950 -0.487 0.000 2.593 238 F HA 0.454 4.986 4.527 0.008 0.000 0.320 238 F C -0.157 175.332 175.800 -0.518 0.000 1.060 238 F CA -0.909 56.759 58.000 -0.553 0.000 0.940 238 F CB 1.875 40.594 39.000 -0.468 0.000 1.268 238 F HN 0.395 nan 8.300 nan 0.000 0.475 239 Q N 1.439 121.116 119.800 -0.204 0.000 2.340 239 Q HA 0.681 5.026 4.340 0.008 0.000 0.268 239 Q C -1.039 174.827 176.000 -0.224 0.000 1.031 239 Q CA -0.896 54.811 55.803 -0.160 0.000 0.804 239 Q CB 2.930 31.661 28.738 -0.011 0.000 1.286 239 Q HN 0.567 nan 8.270 nan 0.000 0.448 240 V N -0.747 119.035 119.914 -0.221 0.000 3.103 240 V HA 1.001 5.126 4.120 0.008 0.000 0.318 240 V C -0.637 175.228 176.094 -0.382 0.000 1.114 240 V CA -0.595 61.474 62.300 -0.385 0.000 1.020 240 V CB 2.007 33.619 31.823 -0.352 0.000 1.085 240 V HN 0.864 nan 8.190 nan 0.000 0.446 241 S N 1.806 117.127 115.700 -0.631 0.000 2.580 241 S HA 0.628 5.103 4.470 0.008 0.000 0.281 241 S C -1.685 172.648 174.600 -0.444 0.000 1.129 241 S CA -0.648 57.334 58.200 -0.365 0.000 0.862 241 S CB 1.342 64.432 63.200 -0.182 0.000 1.090 241 S HN 1.704 nan 8.310 nan 0.000 0.451 242 L N 2.796 123.897 121.223 -0.203 0.000 2.313 242 L HA 0.685 5.030 4.340 0.008 0.000 0.283 242 L C -0.622 176.255 176.870 0.011 0.000 1.013 242 L CA -0.653 54.117 54.840 -0.117 0.000 0.816 242 L CB 1.658 43.612 42.059 -0.176 0.000 1.236 242 L HN 0.757 nan 8.230 nan 0.000 0.419 243 V N 6.607 126.587 119.914 0.110 0.000 2.540 243 V HA 0.057 4.181 4.120 0.008 0.000 0.297 243 V C 1.372 177.594 176.094 0.213 0.000 1.024 243 V CA 0.817 63.231 62.300 0.189 0.000 1.105 243 V CB -0.077 31.915 31.823 0.281 0.000 0.938 243 V HN 1.046 nan 8.190 nan 0.000 0.482 244 N N 1.962 120.715 118.700 0.088 0.000 2.800 244 N HA -0.180 4.564 4.740 0.008 0.000 0.250 244 N C -0.332 175.000 175.510 -0.296 0.000 1.078 244 N CA 0.641 53.655 53.050 -0.061 0.000 0.804 244 N CB -0.538 37.959 38.487 0.016 0.000 1.135 244 N HN 0.902 nan 8.380 nan 0.000 0.565 245 H N -1.085 117.886 119.070 -0.165 0.000 2.851 245 H HA 0.365 4.926 4.556 0.008 0.000 0.372 245 H C 0.003 175.271 175.328 -0.100 0.000 1.158 245 H CA 0.143 56.096 56.048 -0.157 0.000 1.159 245 H CB 1.608 31.251 29.762 -0.198 0.000 1.757 245 H HN 0.154 nan 8.280 nan 0.000 0.546 246 T N -0.234 114.347 114.554 0.044 0.000 2.847 246 T HA 0.645 5.000 4.350 0.008 0.000 0.279 246 T C 0.053 174.765 174.700 0.021 0.000 0.984 246 T CA -0.899 61.210 62.100 0.016 0.000 0.988 246 T CB 0.799 69.666 68.868 -0.000 0.000 1.040 246 T HN 0.422 nan 8.240 nan 0.000 0.528 247 M N 1.274 120.871 119.600 -0.005 0.000 2.327 247 M HA 0.332 4.817 4.480 0.008 0.000 0.298 247 M C -0.953 175.335 176.300 -0.021 0.000 1.065 247 M CA -0.654 54.637 55.300 -0.014 0.000 0.916 247 M CB 2.773 35.358 32.600 -0.026 0.000 1.630 247 M HN 0.620 nan 8.290 nan 0.000 0.442 248 T N 2.616 117.164 114.554 -0.010 0.000 2.753 248 T HA 0.356 4.711 4.350 0.008 0.000 0.297 248 T C 0.052 174.745 174.700 -0.012 0.000 0.981 248 T CA -0.514 61.582 62.100 -0.007 0.000 0.956 248 T CB 0.563 69.440 68.868 0.015 0.000 0.936 248 T HN 0.394 nan 8.240 nan 0.000 0.463 249 V N 6.064 125.960 119.914 -0.029 0.000 2.450 249 V HA 0.093 4.218 4.120 0.008 0.000 0.281 249 V C 1.414 177.528 176.094 0.033 0.000 1.019 249 V CA 0.305 62.601 62.300 -0.007 0.000 1.062 249 V CB -0.309 31.476 31.823 -0.062 0.000 0.979 249 V HN 0.904 nan 8.190 nan 0.000 0.477 250 I N 2.093 122.688 120.570 0.042 0.000 4.082 250 I HA 0.755 4.930 4.170 0.008 0.000 0.337 250 I C 0.602 176.748 176.117 0.049 0.000 1.352 250 I CA 0.082 61.410 61.300 0.047 0.000 1.097 250 I CB 0.453 38.477 38.000 0.040 0.000 1.048 250 I HN 0.524 nan 8.210 nan 0.000 0.393 251 A N 1.253 124.115 122.820 0.070 0.000 2.604 251 A HA 0.893 5.218 4.320 0.008 0.000 0.295 251 A C -1.388 176.257 177.584 0.102 0.000 1.067 251 A CA -0.139 51.924 52.037 0.044 0.000 0.683 251 A CB 1.415 20.398 19.000 -0.028 0.000 1.281 251 A HN 0.410 nan 8.150 nan 0.000 0.407 252 A N 1.661 124.498 122.820 0.030 0.000 2.381 252 A HA 0.737 5.061 4.320 0.008 0.000 0.299 252 A C -0.012 177.502 177.584 -0.118 0.000 1.049 252 A CA 0.190 52.203 52.037 -0.039 0.000 0.715 252 A CB 0.431 19.480 19.000 0.080 0.000 1.222 252 A HN 1.227 nan 8.150 nan 0.000 0.428 253 D N 0.528 120.805 120.400 -0.204 0.000 3.574 253 D HA -0.263 4.382 4.640 0.008 0.000 0.153 253 D C 0.728 176.945 176.300 -0.137 0.000 0.965 253 D CA 2.158 56.077 54.000 -0.135 0.000 1.047 253 D CB -0.467 40.284 40.800 -0.080 0.000 0.492 253 D HN 0.633 nan 8.370 nan 0.000 0.492 254 M N 0.366 119.872 119.600 -0.157 0.000 2.637 254 M HA 0.230 4.715 4.480 0.008 0.000 0.286 254 M C -0.617 175.468 176.300 -0.358 0.000 1.246 254 M CA 0.042 55.174 55.300 -0.280 0.000 0.978 254 M CB 0.671 33.076 32.600 -0.325 0.000 1.417 254 M HN -0.027 nan 8.290 nan 0.000 0.487 255 V N 2.043 121.831 119.914 -0.210 0.000 2.311 255 V HA 0.331 4.455 4.120 0.008 0.000 0.275 255 V C -2.271 173.736 176.094 -0.146 0.000 1.022 255 V CA -1.730 60.470 62.300 -0.165 0.000 0.830 255 V CB 0.944 32.766 31.823 -0.001 0.000 1.012 255 V HN 0.159 nan 8.190 nan 0.000 0.452 256 P HA 0.237 nan 4.420 nan 0.000 0.269 256 P C -0.757 176.549 177.300 0.010 0.000 1.209 256 P CA 0.148 63.200 63.100 -0.080 0.000 0.776 256 P CB 0.793 32.457 31.700 -0.059 0.000 0.876 257 V N -0.551 119.390 119.914 0.045 0.000 3.007 257 V HA 0.536 4.661 4.120 0.008 0.000 0.311 257 V C -0.180 175.955 176.094 0.068 0.000 1.120 257 V CA -1.184 61.158 62.300 0.070 0.000 0.980 257 V CB 1.933 33.810 31.823 0.090 0.000 1.033 257 V HN 0.293 nan 8.190 nan 0.000 0.429 258 N N 1.433 120.174 118.700 0.069 0.000 2.416 258 N HA 0.380 5.124 4.740 0.008 0.000 0.246 258 N C 0.288 175.831 175.510 0.055 0.000 1.260 258 N CA 0.545 53.633 53.050 0.063 0.000 0.897 258 N CB 1.221 39.743 38.487 0.058 0.000 1.110 258 N HN 1.203 nan 8.380 nan 0.000 0.439 259 A N 1.706 124.557 122.820 0.052 0.000 2.450 259 A HA 0.306 4.630 4.320 0.008 0.000 0.255 259 A C 0.209 177.813 177.584 0.033 0.000 1.096 259 A CA 0.013 52.077 52.037 0.044 0.000 0.778 259 A CB 0.030 19.058 19.000 0.047 0.000 1.031 259 A HN 0.709 nan 8.150 nan 0.000 0.494 260 M N 3.276 122.889 119.600 0.022 0.000 2.090 260 M HA 0.237 4.722 4.480 0.008 0.000 0.277 260 M C -0.926 175.368 176.300 -0.010 0.000 0.935 260 M CA -0.091 55.214 55.300 0.008 0.000 0.966 260 M CB 1.449 34.054 32.600 0.009 0.000 1.635 260 M HN 0.659 nan 8.290 nan 0.000 0.446 261 T N 4.418 118.969 114.554 -0.005 0.000 2.749 261 T HA 0.503 4.858 4.350 0.008 0.000 0.295 261 T C -0.205 174.484 174.700 -0.018 0.000 0.936 261 T CA -0.396 61.698 62.100 -0.010 0.000 1.060 261 T CB 0.559 69.426 68.868 -0.001 0.000 0.904 261 T HN 0.582 nan 8.240 nan 0.000 0.500 262 V N 1.041 120.939 119.914 -0.027 0.000 3.158 262 V HA 0.636 4.760 4.120 0.008 0.000 0.311 262 V C -0.081 176.002 176.094 -0.018 0.000 1.181 262 V CA -0.764 61.521 62.300 -0.024 0.000 1.054 262 V CB 2.282 34.082 31.823 -0.039 0.000 1.085 262 V HN 0.522 nan 8.190 nan 0.000 0.446 263 D N 0.809 121.205 120.400 -0.008 0.000 2.277 263 D HA 0.225 4.870 4.640 0.008 0.000 0.209 263 D C 0.845 177.144 176.300 -0.001 0.000 0.970 263 D CA 1.665 55.661 54.000 -0.006 0.000 0.874 263 D CB 0.674 41.471 40.800 -0.005 0.000 0.982 263 D HN 0.965 nan 8.370 nan 0.000 0.504 264 S N -1.120 114.602 115.700 0.036 0.000 2.615 264 S HA 0.687 5.162 4.470 0.008 0.000 0.269 264 S C -1.215 173.409 174.600 0.040 0.000 1.161 264 S CA -0.967 57.254 58.200 0.034 0.000 0.817 264 S CB 1.779 65.055 63.200 0.126 0.000 1.131 264 S HN -0.014 nan 8.310 nan 0.000 0.467 265 L N 0.967 122.134 121.223 -0.093 0.000 2.393 265 L HA 0.664 5.009 4.340 0.008 0.000 0.260 265 L C -1.535 175.155 176.870 -0.300 0.000 1.002 265 L CA -0.722 53.989 54.840 -0.216 0.000 0.818 265 L CB 2.171 44.070 42.059 -0.266 0.000 1.369 265 L HN 0.811 nan 8.230 nan 0.000 0.412 266 F N 2.832 122.504 119.950 -0.463 0.000 2.404 266 F HA 0.650 5.181 4.527 0.008 0.000 0.354 266 F C -1.163 174.670 175.800 0.055 0.000 1.122 266 F CA -0.514 57.313 58.000 -0.288 0.000 1.080 266 F CB 0.933 39.776 39.000 -0.261 0.000 1.131 266 F HN 0.151 nan 8.300 nan 0.000 0.471 267 L N 6.730 127.566 121.223 -0.645 0.000 2.319 267 L HA 0.652 4.997 4.340 0.008 0.000 0.281 267 L C 0.125 176.463 176.870 -0.887 0.000 1.005 267 L CA -0.371 54.164 54.840 -0.508 0.000 0.828 267 L CB 1.293 43.200 42.059 -0.254 0.000 1.227 267 L HN 0.784 nan 8.230 nan 0.000 0.415 268 A N 3.082 125.568 122.820 -0.558 0.000 2.272 268 A HA 0.622 4.947 4.320 0.008 0.000 0.275 268 A C 0.151 177.367 177.584 -0.613 0.000 1.096 268 A CA -0.559 51.185 52.037 -0.487 0.000 0.822 268 A CB 0.438 19.557 19.000 0.197 0.000 1.088 268 A HN 0.400 nan 8.150 nan 0.000 0.495 269 V N 0.869 120.262 119.914 -0.869 0.000 2.752 269 V HA 0.314 4.439 4.120 0.008 0.000 0.306 269 V C 1.763 177.567 176.094 -0.483 0.000 1.099 269 V CA 1.948 63.870 62.300 -0.630 0.000 1.240 269 V CB -0.159 31.405 31.823 -0.431 0.000 0.887 269 V HN 2.016 nan 8.190 nan 0.000 0.499 270 G N 2.781 111.220 108.800 -0.602 0.000 2.336 270 G HA2 -0.237 3.727 3.960 0.008 0.000 0.233 270 G HA3 -0.237 3.727 3.960 0.008 0.000 0.233 270 G C 0.324 175.003 174.900 -0.367 0.000 1.053 270 G CA 0.342 45.145 45.100 -0.495 0.000 0.625 270 G HN 0.662 nan 8.290 nan 0.000 0.511 271 Q N 0.145 119.732 119.800 -0.354 0.000 2.471 271 Q HA 0.660 5.005 4.340 0.008 0.000 0.223 271 Q C 0.256 176.025 176.000 -0.384 0.000 1.045 271 Q CA 0.229 55.847 55.803 -0.308 0.000 0.956 271 Q CB 0.518 29.076 28.738 -0.301 0.000 1.249 271 Q HN 0.452 nan 8.270 nan 0.000 0.549 272 R N 0.150 120.407 120.500 -0.405 0.000 2.643 272 R HA 0.436 4.781 4.340 0.008 0.000 0.269 272 R C -1.861 174.168 176.300 -0.452 0.000 1.037 272 R CA -0.484 55.417 56.100 -0.332 0.000 0.894 272 R CB 1.386 31.557 30.300 -0.215 0.000 1.238 272 R HN 0.444 nan 8.270 nan 0.000 0.459 273 Y N 0.387 120.653 120.300 -0.056 0.000 2.354 273 Y HA 0.314 4.869 4.550 0.008 0.000 0.330 273 Y C -0.800 175.075 175.900 -0.041 0.000 1.011 273 Y CA -1.193 56.886 58.100 -0.034 0.000 1.099 273 Y CB 1.980 40.431 38.460 -0.016 0.000 1.179 273 Y HN 0.542 nan 8.280 nan 0.000 0.442 274 D N 2.342 122.811 120.400 0.115 0.000 2.225 274 D HA 0.617 5.262 4.640 0.008 0.000 0.249 274 D C -0.659 175.658 176.300 0.028 0.000 1.052 274 D CA -0.162 53.852 54.000 0.023 0.000 0.909 274 D CB 1.561 42.334 40.800 -0.044 0.000 1.186 274 D HN 0.309 nan 8.370 nan 0.000 0.431 275 V N -1.313 118.588 119.914 -0.023 0.000 3.130 275 V HA 0.719 4.844 4.120 0.008 0.000 0.310 275 V C -0.869 175.187 176.094 -0.064 0.000 1.158 275 V CA -0.914 61.370 62.300 -0.027 0.000 1.029 275 V CB 1.868 33.682 31.823 -0.014 0.000 1.057 275 V HN 0.249 nan 8.190 nan 0.000 0.436 276 V N 3.094 122.988 119.914 -0.034 0.000 2.435 276 V HA 0.589 4.714 4.120 0.008 0.000 0.290 276 V C -0.215 175.890 176.094 0.018 0.000 1.030 276 V CA -0.325 61.970 62.300 -0.009 0.000 0.881 276 V CB 1.401 33.239 31.823 0.025 0.000 0.983 276 V HN 0.768 nan 8.190 nan 0.000 0.445 277 I N 3.611 124.207 120.570 0.043 0.000 2.447 277 I HA 0.418 4.593 4.170 0.008 0.000 0.287 277 I C -1.214 174.975 176.117 0.119 0.000 1.023 277 I CA -0.583 60.739 61.300 0.036 0.000 1.083 277 I CB 2.080 40.045 38.000 -0.058 0.000 1.245 277 I HN 0.527 nan 8.210 nan 0.000 0.434 278 D N 6.077 126.550 120.400 0.122 0.000 2.329 278 D HA 0.313 4.958 4.640 0.008 0.000 0.232 278 D C 0.376 176.760 176.300 0.140 0.000 1.088 278 D CA -0.278 53.808 54.000 0.142 0.000 0.835 278 D CB 1.980 42.838 40.800 0.097 0.000 1.078 278 D HN 0.546 nan 8.370 nan 0.000 0.495 279 A N 1.869 124.741 122.820 0.086 0.000 3.052 279 A HA 0.217 4.542 4.320 0.008 0.000 0.266 279 A C 1.065 178.726 177.584 0.128 0.000 1.855 279 A CA -0.204 51.794 52.037 -0.066 0.000 1.473 279 A CB -0.622 18.137 19.000 -0.401 0.000 1.038 279 A HN 0.415 nan 8.150 nan 0.000 0.619 280 S N -0.257 115.554 115.700 0.184 0.000 2.559 280 S HA 0.207 4.682 4.470 0.008 0.000 0.226 280 S C 0.701 175.367 174.600 0.109 0.000 1.000 280 S CA -0.596 57.684 58.200 0.133 0.000 0.948 280 S CB 0.368 63.603 63.200 0.058 0.000 0.870 280 S HN 0.572 nan 8.310 nan 0.000 0.497 281 R N 1.845 122.430 120.500 0.142 0.000 2.546 281 R HA 0.657 5.001 4.340 0.008 0.000 0.266 281 R C 0.336 176.638 176.300 0.004 0.000 1.086 281 R CA -0.145 55.934 56.100 -0.035 0.000 1.160 281 R CB -0.311 29.776 30.300 -0.355 0.000 1.138 281 R HN 0.271 nan 8.270 nan 0.000 0.567 282 A N 2.584 125.368 122.820 -0.060 0.000 2.573 282 A HA 0.128 4.453 4.320 0.008 0.000 0.250 282 A C -1.873 175.495 177.584 -0.361 0.000 1.049 282 A CA -0.608 51.363 52.037 -0.110 0.000 0.767 282 A CB -0.811 18.154 19.000 -0.059 0.000 0.965 282 A HN 0.309 nan 8.150 nan 0.000 0.514 283 P HA 0.179 nan 4.420 nan 0.000 0.258 283 P C -0.303 176.775 177.300 -0.370 0.000 1.187 283 P CA 0.854 63.697 63.100 -0.428 0.000 0.767 283 P CB 0.467 32.133 31.700 -0.057 0.000 0.770 284 D N 2.385 122.518 120.400 -0.445 0.000 3.038 284 D HA 0.171 4.815 4.640 0.008 0.000 0.351 284 D C -1.394 174.681 176.300 -0.376 0.000 1.442 284 D CA -0.411 53.331 54.000 -0.430 0.000 0.802 284 D CB 0.598 41.013 40.800 -0.642 0.000 1.406 284 D HN 0.080 nan 8.370 nan 0.000 0.488 285 N N 0.069 118.459 118.700 -0.517 0.000 2.269 285 N HA 0.509 5.253 4.740 0.008 0.000 0.304 285 N C -1.266 173.837 175.510 -0.679 0.000 1.072 285 N CA -0.199 52.657 53.050 -0.324 0.000 0.802 285 N CB 1.535 39.846 38.487 -0.294 0.000 1.348 285 N HN 0.268 nan 8.380 nan 0.000 0.484 286 Y N -0.463 119.768 120.300 -0.115 0.000 2.512 286 Y HA 0.363 4.918 4.550 0.008 0.000 0.348 286 Y C -0.516 175.338 175.900 -0.077 0.000 0.990 286 Y CA -0.835 57.208 58.100 -0.095 0.000 1.033 286 Y CB 1.499 40.000 38.460 0.068 0.000 1.259 286 Y HN 0.418 nan 8.280 nan 0.000 0.461 287 W N 3.062 124.450 121.300 0.148 0.000 2.272 287 W HA 0.363 5.028 4.660 0.008 0.000 0.318 287 W C -0.625 175.961 176.519 0.111 0.000 1.255 287 W CA -0.504 56.897 57.345 0.093 0.000 1.200 287 W CB 0.617 30.083 29.460 0.008 0.000 1.170 287 W HN 0.376 nan 8.180 nan 0.000 0.549 288 F N 4.669 124.779 119.950 0.266 0.000 2.385 288 F HA 0.369 4.901 4.527 0.008 0.000 0.360 288 F C -0.455 175.410 175.800 0.108 0.000 1.122 288 F CA -0.667 57.362 58.000 0.048 0.000 1.090 288 F CB 0.174 39.138 39.000 -0.061 0.000 1.150 288 F HN 0.264 nan 8.300 nan 0.000 0.472 289 N N 3.902 122.342 118.700 -0.434 0.000 2.361 289 N HA 0.564 5.308 4.740 0.008 0.000 0.302 289 N C -1.470 173.772 175.510 -0.448 0.000 1.074 289 N CA -0.654 52.233 53.050 -0.271 0.000 0.850 289 N CB 2.268 40.648 38.487 -0.179 0.000 1.228 289 N HN 0.286 nan 8.380 nan 0.000 0.491 290 V N 1.353 121.077 119.914 -0.317 0.000 2.427 290 V HA 0.587 4.712 4.120 0.008 0.000 0.286 290 V C 0.195 176.083 176.094 -0.343 0.000 1.034 290 V CA -0.417 61.638 62.300 -0.408 0.000 0.893 290 V CB 1.040 32.558 31.823 -0.509 0.000 0.982 290 V HN 0.902 nan 8.190 nan 0.000 0.452 291 T N 1.406 115.744 114.554 -0.359 0.000 2.864 291 T HA 0.814 5.168 4.350 0.008 0.000 0.289 291 T C -0.954 173.519 174.700 -0.378 0.000 1.082 291 T CA -0.660 61.313 62.100 -0.212 0.000 1.009 291 T CB 1.862 70.695 68.868 -0.058 0.000 1.234 291 T HN 0.145 nan 8.240 nan 0.000 0.526 292 F N -0.750 119.237 119.950 0.061 0.000 2.561 292 F HA 0.801 5.333 4.527 0.008 0.000 0.321 292 F C 0.880 176.741 175.800 0.103 0.000 1.065 292 F CA -0.445 57.606 58.000 0.085 0.000 0.934 292 F CB 2.442 41.448 39.000 0.010 0.000 1.215 292 F HN 1.078 nan 8.300 nan 0.000 0.471 293 G N -0.671 108.320 108.800 0.317 0.000 3.243 293 G HA2 0.467 4.432 3.960 0.008 0.000 0.248 293 G HA3 0.467 4.432 3.960 0.008 0.000 0.248 293 G C 0.503 175.505 174.900 0.171 0.000 1.267 293 G CA -0.507 44.721 45.100 0.214 0.000 0.906 293 G HN 1.291 nan 8.290 nan 0.000 0.592 294 G N -1.050 107.811 108.800 0.101 0.000 2.187 294 G HA2 -0.244 3.720 3.960 0.008 0.000 0.261 294 G HA3 -0.244 3.720 3.960 0.008 0.000 0.261 294 G C 0.591 175.525 174.900 0.057 0.000 1.000 294 G CA 1.243 46.374 45.100 0.053 0.000 0.718 294 G HN 1.470 nan 8.290 nan 0.000 0.519 295 Q N -3.264 116.583 119.800 0.078 0.000 2.481 295 Q HA -0.121 4.224 4.340 0.008 0.000 0.283 295 Q C 1.303 177.355 176.000 0.087 0.000 1.292 295 Q CA 1.240 57.088 55.803 0.075 0.000 0.819 295 Q CB -1.871 26.897 28.738 0.050 0.000 1.202 295 Q HN 2.421 nan 8.270 nan 0.000 0.446 296 A N -2.105 120.775 122.820 0.099 0.000 2.816 296 A HA -0.263 4.062 4.320 0.008 0.000 0.270 296 A C 1.377 179.007 177.584 0.077 0.000 1.413 296 A CA 1.848 53.941 52.037 0.094 0.000 0.866 296 A CB -1.839 17.332 19.000 0.286 0.000 1.032 296 A HN 1.258 nan 8.150 nan 0.000 0.642 297 A N -1.350 121.497 122.820 0.046 0.000 2.123 297 A HA 0.276 4.601 4.320 0.008 0.000 0.214 297 A C 1.604 179.175 177.584 -0.022 0.000 1.152 297 A CA 1.716 53.768 52.037 0.025 0.000 0.728 297 A CB -0.687 18.317 19.000 0.008 0.000 0.814 297 A HN 2.179 nan 8.150 nan 0.000 0.464 298 c N -3.110 115.460 118.600 -0.051 0.000 3.025 298 c HA 0.674 5.248 4.570 0.008 0.000 0.240 298 c C 0.465 174.549 174.090 -0.010 0.000 2.061 298 c CA -0.356 55.881 56.329 -0.153 0.000 1.571 298 c CB -0.724 41.478 42.510 -0.512 0.000 3.075 298 c HN 1.295 nan 8.230 nan 0.000 0.479 299 G N -0.603 108.167 108.800 -0.051 0.000 2.322 299 G HA2 0.600 4.564 3.960 0.008 0.000 0.289 299 G HA3 0.600 4.564 3.960 0.008 0.000 0.289 299 G C -0.680 173.658 174.900 -0.937 0.000 1.687 299 G CA 0.414 45.389 45.100 -0.208 0.000 0.944 299 G HN 1.775 nan 8.290 nan 0.000 0.718 300 G N -1.249 106.654 108.800 -1.495 0.000 2.506 300 G HA2 0.869 4.833 3.960 0.008 0.000 0.292 300 G HA3 0.869 4.833 3.960 0.008 0.000 0.292 300 G C -1.289 172.720 174.900 -1.485 0.000 1.425 300 G CA 0.549 44.083 45.100 -2.610 0.000 0.788 300 G HN 1.681 nan 8.290 nan 0.000 0.490 301 S N -1.308 113.855 115.700 -0.895 0.000 2.541 301 S HA 0.499 4.974 4.470 0.008 0.000 0.271 301 S C 0.748 175.376 174.600 0.047 0.000 1.133 301 S CA -0.703 57.379 58.200 -0.197 0.000 0.876 301 S CB 1.417 64.625 63.200 0.014 0.000 1.105 301 S HN 0.614 nan 8.310 nan 0.000 0.470 302 L N 2.082 123.362 121.223 0.095 0.000 2.418 302 L HA 0.247 4.592 4.340 0.008 0.000 0.218 302 L C 1.087 177.978 176.870 0.034 0.000 1.125 302 L CA 0.035 54.931 54.840 0.093 0.000 0.835 302 L CB -0.425 41.675 42.059 0.068 0.000 0.953 302 L HN 0.522 nan 8.230 nan 0.000 0.454 303 N N 2.515 121.226 118.700 0.018 0.000 2.423 303 N HA -0.003 4.742 4.740 0.008 0.000 0.275 303 N C -1.362 174.121 175.510 -0.045 0.000 1.283 303 N CA -1.444 51.604 53.050 -0.003 0.000 0.932 303 N CB 0.916 39.406 38.487 0.005 0.000 1.185 303 N HN -0.007 nan 8.380 nan 0.000 0.483 304 P HA -0.119 nan 4.420 nan 0.000 0.221 304 P C -0.528 176.399 177.300 -0.622 0.000 1.145 304 P CA 1.485 64.334 63.100 -0.419 0.000 0.795 304 P CB 0.198 31.547 31.700 -0.584 0.000 0.775 305 H N -2.509 116.560 119.070 -0.002 0.000 2.946 305 H HA 0.325 4.886 4.556 0.008 0.000 0.217 305 H C -2.527 172.752 175.328 -0.081 0.000 1.393 305 H CA -2.065 53.942 56.048 -0.068 0.000 1.306 305 H CB -0.053 29.619 29.762 -0.150 0.000 2.062 305 H HN 0.139 nan 8.280 nan 0.000 0.520 306 P HA 0.188 nan 4.420 nan 0.000 0.264 306 P C -0.359 176.951 177.300 0.017 0.000 1.179 306 P CA 0.461 63.557 63.100 -0.007 0.000 0.763 306 P CB 0.916 32.564 31.700 -0.086 0.000 0.806 307 A N 1.892 124.790 122.820 0.132 0.000 2.594 307 A HA 0.781 5.105 4.320 0.008 0.000 0.295 307 A C -1.156 176.714 177.584 0.476 0.000 1.071 307 A CA -0.297 51.883 52.037 0.238 0.000 0.685 307 A CB 1.551 20.592 19.000 0.068 0.000 1.285 307 A HN 0.516 nan 8.150 nan 0.000 0.405 308 A N 0.530 123.697 122.820 0.578 0.000 2.347 308 A HA 0.909 5.233 4.320 0.008 0.000 0.301 308 A C -0.765 177.184 177.584 0.608 0.000 1.163 308 A CA -0.631 51.769 52.037 0.605 0.000 0.860 308 A CB 0.706 20.087 19.000 0.635 0.000 1.367 308 A HN 0.854 nan 8.150 nan 0.000 0.461 309 I N 0.485 121.331 120.570 0.460 0.000 2.362 309 I HA 0.329 4.504 4.170 0.008 0.000 0.289 309 I C -1.447 174.906 176.117 0.393 0.000 0.994 309 I CA -0.132 61.330 61.300 0.269 0.000 1.158 309 I CB 1.268 39.296 38.000 0.046 0.000 1.315 309 I HN 0.374 nan 8.210 nan 0.000 0.451 310 F N 5.138 125.150 119.950 0.103 0.000 2.391 310 F HA 0.302 4.833 4.527 0.008 0.000 0.359 310 F C 0.506 176.396 175.800 0.150 0.000 1.122 310 F CA -0.464 57.575 58.000 0.064 0.000 1.120 310 F CB 0.424 39.409 39.000 -0.025 0.000 1.142 310 F HN 0.412 nan 8.300 nan 0.000 0.483 311 H N 4.660 123.774 119.070 0.073 0.000 2.504 311 H HA 0.223 4.784 4.556 0.008 0.000 0.322 311 H C -1.199 174.226 175.328 0.162 0.000 1.055 311 H CA -0.611 55.491 56.048 0.089 0.000 1.231 311 H CB 0.766 30.526 29.762 -0.003 0.000 1.417 311 H HN 0.401 nan 8.280 nan 0.000 0.472 312 Y N 2.422 122.414 120.300 -0.514 0.000 2.359 312 Y HA 0.175 4.730 4.550 0.008 0.000 0.334 312 Y C 0.723 176.300 175.900 -0.539 0.000 1.058 312 Y CA -0.396 57.496 58.100 -0.347 0.000 1.244 312 Y CB 0.657 39.032 38.460 -0.141 0.000 1.187 312 Y HN 0.687 nan 8.280 nan 0.000 0.510 313 A N 2.979 125.736 122.820 -0.105 0.000 2.553 313 A HA 0.384 4.708 4.320 0.008 0.000 0.258 313 A C 1.419 179.008 177.584 0.009 0.000 1.069 313 A CA 1.101 53.130 52.037 -0.013 0.000 0.767 313 A CB -1.037 17.974 19.000 0.018 0.000 0.997 313 A HN 1.444 nan 8.150 nan 0.000 0.512 314 G N 1.277 110.105 108.800 0.046 0.000 2.313 314 G HA2 0.155 4.120 3.960 0.008 0.000 0.215 314 G HA3 0.155 4.120 3.960 0.008 0.000 0.215 314 G C 0.747 175.672 174.900 0.041 0.000 1.023 314 G CA 0.408 45.538 45.100 0.050 0.000 0.626 314 G HN 2.138 nan 8.290 nan 0.000 0.503 315 A N 1.938 124.739 122.820 -0.031 0.000 2.310 315 A HA 0.744 5.069 4.320 0.008 0.000 0.260 315 A C -0.841 176.861 177.584 0.196 0.000 1.112 315 A CA 0.022 52.054 52.037 -0.008 0.000 0.804 315 A CB 0.187 19.108 19.000 -0.131 0.000 1.081 315 A HN 0.393 nan 8.150 nan 0.000 0.499 316 P HA 0.356 nan 4.420 nan 0.000 0.297 316 P C 0.473 177.844 177.300 0.119 0.000 1.303 316 P CA 0.072 63.244 63.100 0.119 0.000 0.753 316 P CB 0.255 31.970 31.700 0.024 0.000 1.281 317 G N -2.413 106.369 108.800 -0.030 0.000 2.494 317 G HA2 0.525 4.490 3.960 0.008 0.000 0.270 317 G HA3 0.525 4.490 3.960 0.008 0.000 0.270 317 G C 0.171 175.003 174.900 -0.114 0.000 1.423 317 G CA -0.131 44.884 45.100 -0.142 0.000 1.055 317 G HN 0.855 nan 8.290 nan 0.000 0.536 318 G N -2.208 106.519 108.800 -0.122 0.000 2.685 318 G HA2 -0.012 3.953 3.960 0.008 0.000 0.387 318 G HA3 -0.012 3.953 3.960 0.008 0.000 0.387 318 G C -0.348 174.456 174.900 -0.160 0.000 1.324 318 G CA -0.330 44.710 45.100 -0.100 0.000 0.878 318 G HN 0.932 nan 8.290 nan 0.000 0.527 319 L N 1.034 122.155 121.223 -0.170 0.000 2.350 319 L HA 0.436 4.781 4.340 0.008 0.000 0.275 319 L C -1.714 174.849 176.870 -0.512 0.000 1.099 319 L CA -1.835 52.802 54.840 -0.338 0.000 0.808 319 L CB 0.906 42.888 42.059 -0.129 0.000 1.149 319 L HN 0.342 nan 8.230 nan 0.000 0.442 320 P HA -0.039 nan 4.420 nan 0.000 0.264 320 P C 0.500 177.374 177.300 -0.710 0.000 1.179 320 P CA 0.163 62.639 63.100 -1.040 0.000 0.763 320 P CB 0.585 31.220 31.700 -1.776 0.000 0.806 321 T N -2.767 111.540 114.554 -0.410 0.000 2.978 321 T HA 0.079 4.434 4.350 0.008 0.000 0.248 321 T C 0.367 175.038 174.700 -0.048 0.000 1.018 321 T CA 0.071 62.078 62.100 -0.155 0.000 1.026 321 T CB -0.184 68.594 68.868 -0.149 0.000 1.032 321 T HN 0.265 nan 8.240 nan 0.000 0.485 322 D N 1.562 121.904 120.400 -0.097 0.000 2.347 322 D HA 0.252 4.896 4.640 0.008 0.000 0.235 322 D C 0.760 177.171 176.300 0.185 0.000 1.149 322 D CA -0.261 53.754 54.000 0.025 0.000 0.850 322 D CB 1.451 42.254 40.800 0.006 0.000 1.061 322 D HN 0.303 nan 8.370 nan 0.000 0.487 323 E N 2.117 122.440 120.200 0.207 0.000 2.299 323 E HA 0.182 4.536 4.350 0.008 0.000 0.193 323 E C 1.137 177.833 176.600 0.160 0.000 0.998 323 E CA 0.425 56.971 56.400 0.244 0.000 0.851 323 E CB 0.094 29.835 29.700 0.068 0.000 0.795 323 E HN 0.772 nan 8.360 nan 0.000 0.492 324 G N 0.819 109.690 108.800 0.119 0.000 2.741 324 G HA2 -0.251 3.714 3.960 0.008 0.000 0.222 324 G HA3 -0.251 3.714 3.960 0.008 0.000 0.222 324 G C -0.060 174.867 174.900 0.045 0.000 1.364 324 G CA -0.285 44.868 45.100 0.088 0.000 0.866 324 G HN 0.220 nan 8.290 nan 0.000 0.555 325 T N -0.424 114.151 114.554 0.035 0.000 2.885 325 T HA 0.712 5.067 4.350 0.008 0.000 0.285 325 T C -2.620 172.089 174.700 0.015 0.000 1.019 325 T CA -1.183 60.929 62.100 0.021 0.000 1.010 325 T CB 1.997 70.875 68.868 0.017 0.000 1.022 325 T HN 0.594 nan 8.240 nan 0.000 0.466 326 P HA 0.324 nan 4.420 nan 0.000 0.275 326 P C -2.032 175.278 177.300 0.017 0.000 1.227 326 P CA -1.037 62.075 63.100 0.021 0.000 0.781 326 P CB -0.237 31.486 31.700 0.037 0.000 0.906 327 P HA -0.035 nan 4.420 nan 0.000 0.273 327 P C -0.195 177.119 177.300 0.024 0.000 1.258 327 P CA -0.232 62.885 63.100 0.028 0.000 0.802 327 P CB 0.444 32.183 31.700 0.066 0.000 1.040 328 V N 0.330 120.232 119.914 -0.019 0.000 2.924 328 V HA 0.022 4.147 4.120 0.008 0.000 0.305 328 V C 0.432 176.501 176.094 -0.040 0.000 1.073 328 V CA -0.098 62.156 62.300 -0.078 0.000 1.098 328 V CB 0.232 31.939 31.823 -0.192 0.000 1.000 328 V HN 0.513 nan 8.190 nan 0.000 0.484 329 D N 4.012 124.397 120.400 -0.024 0.000 2.348 329 D HA 0.051 4.696 4.640 0.008 0.000 0.259 329 D C 0.928 177.219 176.300 -0.016 0.000 1.296 329 D CA 0.210 54.231 54.000 0.035 0.000 0.931 329 D CB 0.115 40.934 40.800 0.032 0.000 1.067 329 D HN 0.713 nan 8.370 nan 0.000 0.503 330 H N 3.407 122.489 119.070 0.021 0.000 2.556 330 H HA -0.025 4.536 4.556 0.008 0.000 0.273 330 H C 0.543 175.771 175.328 -0.166 0.000 1.030 330 H CA 0.120 56.138 56.048 -0.049 0.000 1.156 330 H CB 0.504 30.272 29.762 0.010 0.000 1.326 330 H HN 0.494 nan 8.280 nan 0.000 0.609 331 Q N -1.189 118.610 119.800 -0.002 0.000 2.436 331 Q HA -0.207 4.138 4.340 0.008 0.000 0.264 331 Q C 0.678 176.567 176.000 -0.184 0.000 1.093 331 Q CA 0.860 56.621 55.803 -0.070 0.000 0.994 331 Q CB -2.534 26.159 28.738 -0.074 0.000 1.434 331 Q HN 0.753 nan 8.270 nan 0.000 0.520 332 c N -1.380 117.031 118.600 -0.316 0.000 4.529 332 c HA -0.211 4.364 4.570 0.008 0.000 0.296 332 c C 0.384 173.974 174.090 -0.833 0.000 1.353 332 c CA 0.557 56.571 56.329 -0.525 0.000 2.011 332 c CB -1.826 40.568 42.510 -0.194 0.000 1.235 332 c HN 0.493 nan 8.230 nan 0.000 0.784 333 L N 1.512 122.052 121.223 -1.138 0.000 2.410 333 L HA 0.461 4.805 4.340 0.008 0.000 0.270 333 L C -0.027 176.530 176.870 -0.522 0.000 0.983 333 L CA -0.293 54.182 54.840 -0.608 0.000 0.822 333 L CB 1.649 43.539 42.059 -0.282 0.000 1.285 333 L HN 0.311 nan 8.230 nan 0.000 0.409 334 D N 0.371 120.712 120.400 -0.097 0.000 2.341 334 D HA 0.033 4.678 4.640 0.008 0.000 0.245 334 D C 0.297 176.692 176.300 0.159 0.000 1.106 334 D CA -0.289 53.838 54.000 0.212 0.000 0.905 334 D CB 1.360 42.380 40.800 0.366 0.000 1.202 334 D HN 0.324 nan 8.370 nan 0.000 0.426 335 T N 0.934 115.627 114.554 0.231 0.000 2.908 335 T HA 0.075 4.430 4.350 0.008 0.000 0.301 335 T C 0.991 175.780 174.700 0.149 0.000 1.019 335 T CA -0.251 61.947 62.100 0.163 0.000 1.152 335 T CB -0.147 68.805 68.868 0.139 0.000 0.966 335 T HN 0.363 nan 8.240 nan 0.000 0.540 336 L N 3.877 125.156 121.223 0.093 0.000 2.741 336 L HA 0.262 4.607 4.340 0.008 0.000 0.237 336 L C 1.010 177.922 176.870 0.070 0.000 1.178 336 L CA -0.113 54.778 54.840 0.085 0.000 0.973 336 L CB 0.098 42.188 42.059 0.051 0.000 1.255 336 L HN 0.564 nan 8.230 nan 0.000 0.498 337 D N 0.335 120.774 120.400 0.066 0.000 2.349 337 D HA 0.002 4.647 4.640 0.008 0.000 0.224 337 D C 0.794 177.133 176.300 0.065 0.000 1.029 337 D CA 0.421 54.452 54.000 0.052 0.000 0.879 337 D CB 0.179 41.002 40.800 0.037 0.000 0.906 337 D HN 0.120 nan 8.370 nan 0.000 0.528 338 V N -0.292 119.678 119.914 0.093 0.000 2.530 338 V HA 0.425 4.550 4.120 0.008 0.000 0.282 338 V C 0.350 176.501 176.094 0.095 0.000 1.048 338 V CA -0.713 61.651 62.300 0.105 0.000 0.997 338 V CB 1.346 33.266 31.823 0.161 0.000 0.987 338 V HN -0.124 nan 8.190 nan 0.000 0.477 339 R N 3.939 124.489 120.500 0.083 0.000 2.371 339 R HA 0.463 4.808 4.340 0.008 0.000 0.312 339 R C -2.908 173.441 176.300 0.082 0.000 0.980 339 R CA -2.225 53.921 56.100 0.077 0.000 0.867 339 R CB 1.612 31.949 30.300 0.062 0.000 1.163 339 R HN 0.495 nan 8.270 nan 0.000 0.492 340 P HA -0.055 nan 4.420 nan 0.000 0.266 340 P C 1.026 178.384 177.300 0.097 0.000 1.193 340 P CA 0.064 63.223 63.100 0.098 0.000 0.770 340 P CB 0.853 32.622 31.700 0.116 0.000 0.836 341 V N 2.858 122.834 119.914 0.104 0.000 2.548 341 V HA -0.083 4.042 4.120 0.008 0.000 0.249 341 V C 0.921 177.088 176.094 0.122 0.000 1.055 341 V CA 1.401 63.765 62.300 0.108 0.000 1.065 341 V CB -0.029 31.860 31.823 0.110 0.000 0.681 341 V HN 0.297 nan 8.190 nan 0.000 0.462 342 V N 3.491 123.494 119.914 0.149 0.000 2.347 342 V HA 0.387 4.511 4.120 0.008 0.000 0.280 342 V C -2.239 173.926 176.094 0.118 0.000 1.021 342 V CA -1.518 60.866 62.300 0.141 0.000 0.847 342 V CB 1.494 33.420 31.823 0.171 0.000 0.990 342 V HN 0.308 nan 8.190 nan 0.000 0.444 343 P HA 0.569 nan 4.420 nan 0.000 0.290 343 P C -1.130 176.224 177.300 0.089 0.000 1.283 343 P CA -0.864 62.287 63.100 0.085 0.000 0.869 343 P CB 1.766 33.507 31.700 0.067 0.000 1.100 344 R N 0.749 121.300 120.500 0.084 0.000 2.670 344 R HA 0.621 4.966 4.340 0.008 0.000 0.289 344 R C -0.558 175.737 176.300 -0.009 0.000 0.965 344 R CA -0.716 55.437 56.100 0.087 0.000 0.899 344 R CB 1.992 32.390 30.300 0.163 0.000 1.173 344 R HN 0.460 nan 8.270 nan 0.000 0.456 345 S N 1.231 116.906 115.700 -0.041 0.000 2.502 345 S HA 0.509 4.984 4.470 0.008 0.000 0.304 345 S C -0.120 174.328 174.600 -0.254 0.000 1.097 345 S CA -0.807 57.325 58.200 -0.113 0.000 1.045 345 S CB 1.875 65.047 63.200 -0.047 0.000 1.019 345 S HN 0.463 nan 8.310 nan 0.000 0.481 346 V N 0.570 120.273 119.914 -0.352 0.000 3.158 346 V HA 0.870 4.995 4.120 0.008 0.000 0.315 346 V C -2.807 173.190 176.094 -0.162 0.000 1.148 346 V CA -2.628 59.433 62.300 -0.398 0.000 1.042 346 V CB 1.423 32.831 31.823 -0.692 0.000 1.101 346 V HN 0.657 nan 8.190 nan 0.000 0.448 347 P HA 0.489 nan 4.420 nan 0.000 0.292 347 P C -0.105 177.163 177.300 -0.054 0.000 1.283 347 P CA -0.214 62.851 63.100 -0.058 0.000 0.835 347 P CB 1.802 33.472 31.700 -0.050 0.000 1.017 348 V N -1.219 118.669 119.914 -0.043 0.000 3.337 348 V HA 0.175 4.300 4.120 0.008 0.000 0.307 348 V C 1.029 177.116 176.094 -0.013 0.000 1.505 348 V CA 0.001 62.285 62.300 -0.027 0.000 1.072 348 V CB -0.674 31.146 31.823 -0.006 0.000 0.929 348 V HN 0.515 nan 8.190 nan 0.000 0.455 349 N N 1.786 120.473 118.700 -0.023 0.000 2.434 349 N HA 0.023 4.768 4.740 0.008 0.000 0.196 349 N C 0.659 176.162 175.510 -0.010 0.000 1.183 349 N CA 0.882 53.925 53.050 -0.011 0.000 0.849 349 N CB 0.216 38.693 38.487 -0.017 0.000 0.992 349 N HN 0.756 nan 8.380 nan 0.000 0.460 350 S N -1.791 113.900 115.700 -0.015 0.000 3.088 350 S HA 0.207 4.681 4.470 0.008 0.000 0.249 350 S C -0.489 174.083 174.600 -0.047 0.000 0.877 350 S CA -0.897 57.281 58.200 -0.036 0.000 1.184 350 S CB -1.088 62.064 63.200 -0.080 0.000 1.170 350 S HN 0.176 nan 8.310 nan 0.000 0.603 351 F N 2.567 122.412 119.950 -0.174 0.000 2.399 351 F HA 0.656 5.188 4.527 0.008 0.000 0.342 351 F C -0.443 175.222 175.800 -0.224 0.000 1.106 351 F CA -0.325 57.521 58.000 -0.255 0.000 1.196 351 F CB 1.096 39.929 39.000 -0.279 0.000 1.163 351 F HN 0.042 nan 8.300 nan 0.000 0.547 352 V N 6.475 125.679 119.914 -1.183 0.000 2.482 352 V HA 0.210 4.334 4.120 0.008 0.000 0.295 352 V C -0.416 174.963 176.094 -1.192 0.000 1.026 352 V CA -1.295 60.465 62.300 -0.899 0.000 0.856 352 V CB 1.510 33.056 31.823 -0.461 0.000 1.001 352 V HN 0.738 nan 8.190 nan 0.000 0.424 353 K N 5.527 125.443 120.400 -0.806 0.000 2.401 353 K HA 0.479 4.804 4.320 0.008 0.000 0.278 353 K C -0.339 176.082 176.600 -0.297 0.000 1.018 353 K CA 0.063 56.080 56.287 -0.449 0.000 0.981 353 K CB 0.638 33.027 32.500 -0.184 0.000 0.933 353 K HN 0.697 nan 8.250 nan 0.000 0.477 354 R N 3.484 123.854 120.500 -0.217 0.000 2.680 354 R HA 0.183 4.528 4.340 0.008 0.000 0.269 354 R C -2.208 174.050 176.300 -0.070 0.000 1.026 354 R CA -1.849 54.165 56.100 -0.143 0.000 0.889 354 R CB 1.687 31.887 30.300 -0.167 0.000 1.241 354 R HN 0.405 nan 8.270 nan 0.000 0.463 355 P HA -0.293 nan 4.420 nan 0.000 0.219 355 P C 0.500 177.824 177.300 0.039 0.000 1.161 355 P CA 1.872 64.979 63.100 0.013 0.000 0.909 355 P CB 0.149 31.854 31.700 0.007 0.000 0.793 356 D N -1.624 118.781 120.400 0.008 0.000 2.348 356 D HA -0.109 4.536 4.640 0.008 0.000 0.216 356 D C 0.812 177.121 176.300 0.015 0.000 0.970 356 D CA 0.891 54.913 54.000 0.037 0.000 0.889 356 D CB -1.161 39.634 40.800 -0.007 0.000 0.912 356 D HN 0.335 nan 8.370 nan 0.000 0.524 357 N N -0.692 117.980 118.700 -0.047 0.000 2.204 357 N HA 0.038 4.783 4.740 0.008 0.000 0.219 357 N C -0.811 174.791 175.510 0.153 0.000 1.151 357 N CA -0.375 52.607 53.050 -0.113 0.000 0.867 357 N CB 0.423 38.770 38.487 -0.232 0.000 1.043 357 N HN -0.168 nan 8.380 nan 0.000 0.516 358 T N 1.142 115.813 114.554 0.195 0.000 2.809 358 T HA 0.441 4.796 4.350 0.008 0.000 0.284 358 T C -0.593 174.247 174.700 0.233 0.000 0.992 358 T CA -0.510 61.705 62.100 0.191 0.000 0.957 358 T CB 1.336 70.260 68.868 0.094 0.000 0.942 358 T HN 0.064 nan 8.240 nan 0.000 0.439 359 L N 6.176 127.556 121.223 0.262 0.000 2.283 359 L HA 0.387 4.732 4.340 0.008 0.000 0.281 359 L C -2.184 174.795 176.870 0.182 0.000 1.033 359 L CA -2.093 52.882 54.840 0.225 0.000 0.848 359 L CB 1.151 43.375 42.059 0.275 0.000 1.226 359 L HN 0.327 nan 8.230 nan 0.000 0.429 360 P HA 0.153 nan 4.420 nan 0.000 0.288 360 P C -0.282 177.081 177.300 0.104 0.000 1.363 360 P CA -0.249 62.924 63.100 0.122 0.000 0.837 360 P CB 1.311 33.070 31.700 0.097 0.000 0.981 361 V N 3.840 123.819 119.914 0.108 0.000 2.614 361 V HA 0.488 4.612 4.120 0.008 0.000 0.291 361 V C 0.778 176.945 176.094 0.122 0.000 1.049 361 V CA 0.189 62.542 62.300 0.087 0.000 1.038 361 V CB 0.562 32.386 31.823 0.002 0.000 0.980 361 V HN 0.741 nan 8.190 nan 0.000 0.481 362 A N 5.280 128.186 122.820 0.145 0.000 2.408 362 A HA 0.723 5.048 4.320 0.008 0.000 0.295 362 A C -1.140 176.459 177.584 0.025 0.000 1.040 362 A CA -0.605 51.482 52.037 0.083 0.000 0.707 362 A CB 1.385 20.401 19.000 0.027 0.000 1.235 362 A HN 0.877 nan 8.150 nan 0.000 0.418 363 L N 2.002 123.106 121.223 -0.197 0.000 2.281 363 L HA 0.630 4.975 4.340 0.008 0.000 0.285 363 L C -0.592 176.035 176.870 -0.405 0.000 1.074 363 L CA 0.141 54.565 54.840 -0.694 0.000 0.817 363 L CB 0.898 42.385 42.059 -0.954 0.000 1.168 363 L HN 0.619 nan 8.230 nan 0.000 0.434 364 D N 4.396 124.590 120.400 -0.342 0.000 2.303 364 D HA 0.280 4.925 4.640 0.008 0.000 0.236 364 D C 0.227 176.387 176.300 -0.233 0.000 1.068 364 D CA -0.171 53.697 54.000 -0.220 0.000 0.830 364 D CB 1.115 41.827 40.800 -0.147 0.000 1.109 364 D HN 0.675 nan 8.370 nan 0.000 0.496 365 L N 2.708 123.810 121.223 -0.202 0.000 2.693 365 L HA 0.102 4.447 4.340 0.008 0.000 0.235 365 L C 2.078 178.848 176.870 -0.168 0.000 1.127 365 L CA 0.254 54.965 54.840 -0.214 0.000 0.914 365 L CB 0.156 42.105 42.059 -0.184 0.000 1.193 365 L HN 0.485 nan 8.230 nan 0.000 0.502 366 T N -2.981 111.495 114.554 -0.130 0.000 3.085 366 T HA 0.098 4.453 4.350 0.008 0.000 0.263 366 T C 1.074 175.717 174.700 -0.095 0.000 1.127 366 T CA 0.632 62.674 62.100 -0.097 0.000 1.103 366 T CB 0.005 68.829 68.868 -0.075 0.000 0.921 366 T HN 0.276 nan 8.240 nan 0.000 0.510 367 G N 1.104 109.838 108.800 -0.111 0.000 3.039 367 G HA2 0.562 4.526 3.960 0.008 0.000 0.159 367 G HA3 0.562 4.526 3.960 0.008 0.000 0.159 367 G C -0.740 174.096 174.900 -0.107 0.000 1.284 367 G CA -0.196 44.847 45.100 -0.094 0.000 0.996 367 G HN 0.531 nan 8.290 nan 0.000 0.592 368 T N 0.369 114.870 114.554 -0.089 0.000 2.847 368 T HA 0.669 5.023 4.350 0.008 0.000 0.291 368 T C -2.075 172.581 174.700 -0.073 0.000 0.998 368 T CA -1.042 61.008 62.100 -0.083 0.000 0.967 368 T CB 1.990 70.825 68.868 -0.055 0.000 0.954 368 T HN 0.507 nan 8.240 nan 0.000 0.441 369 P HA 0.322 nan 4.420 nan 0.000 0.318 369 P C 1.026 178.211 177.300 -0.192 0.000 1.309 369 P CA -0.768 62.258 63.100 -0.124 0.000 0.736 369 P CB 0.695 32.327 31.700 -0.113 0.000 1.440 370 L N -0.833 120.218 121.223 -0.287 0.000 1.976 370 L HA -0.001 4.344 4.340 0.008 0.000 0.209 370 L C 0.936 177.449 176.870 -0.594 0.000 1.071 370 L CA 1.625 56.154 54.840 -0.518 0.000 0.746 370 L CB -1.266 40.318 42.059 -0.792 0.000 0.890 370 L HN 0.178 nan 8.230 nan 0.000 0.432 371 F N 0.256 120.117 119.950 -0.148 0.000 2.351 371 F HA 0.400 4.931 4.527 0.007 0.000 0.362 371 F C -0.148 175.510 175.800 -0.237 0.000 1.131 371 F CA -0.824 57.043 58.000 -0.222 0.000 1.187 371 F CB 0.135 39.063 39.000 -0.119 0.000 1.434 371 F HN -0.354 nan 8.300 nan 0.000 0.553 372 V N 2.125 121.920 119.914 -0.197 0.000 2.417 372 V HA 0.301 4.426 4.120 0.008 0.000 0.291 372 V C -0.666 175.246 176.094 -0.303 0.000 1.024 372 V CA -1.284 60.927 62.300 -0.149 0.000 0.861 372 V CB 1.015 32.782 31.823 -0.093 0.000 0.985 372 V HN 0.573 nan 8.190 nan 0.000 0.436 373 W N 3.727 125.042 121.300 0.025 0.000 2.390 373 W HA 0.645 5.309 4.660 0.007 0.000 0.312 373 W C 0.256 176.750 176.519 -0.041 0.000 1.123 373 W CA -0.476 56.856 57.345 -0.022 0.000 1.202 373 W CB 1.233 30.678 29.460 -0.025 0.000 1.251 373 W HN 0.345 nan 8.180 nan 0.000 0.511 374 K N 2.117 122.631 120.400 0.190 0.000 2.378 374 K HA 0.630 4.955 4.320 0.008 0.000 0.252 374 K C -1.323 175.328 176.600 0.086 0.000 0.931 374 K CA -0.891 55.449 56.287 0.089 0.000 0.794 374 K CB 2.349 34.867 32.500 0.030 0.000 1.181 374 K HN 0.168 nan 8.250 nan 0.000 0.425 375 V N 2.771 122.714 119.914 0.047 0.000 2.540 375 V HA 0.240 4.365 4.120 0.008 0.000 0.302 375 V C 0.046 176.159 176.094 0.032 0.000 1.035 375 V CA -0.970 61.354 62.300 0.039 0.000 0.873 375 V CB 1.366 33.197 31.823 0.014 0.000 0.992 375 V HN 0.906 nan 8.190 nan 0.000 0.428 376 N N 3.326 122.056 118.700 0.050 0.000 2.705 376 N HA -0.203 4.542 4.740 0.008 0.000 0.255 376 N C 1.132 176.660 175.510 0.029 0.000 1.008 376 N CA 1.814 54.892 53.050 0.047 0.000 0.742 376 N CB -0.993 37.524 38.487 0.051 0.000 0.906 376 N HN 1.647 nan 8.380 nan 0.000 0.541 377 G N -1.963 106.852 108.800 0.026 0.000 2.179 377 G HA2 -0.234 3.731 3.960 0.008 0.000 0.260 377 G HA3 -0.234 3.731 3.960 0.008 0.000 0.260 377 G C 0.002 174.905 174.900 0.004 0.000 0.977 377 G CA 0.957 46.064 45.100 0.013 0.000 0.641 377 G HN 1.542 nan 8.290 nan 0.000 0.533 378 S N 0.690 116.393 115.700 0.005 0.000 2.572 378 S HA 0.504 4.979 4.470 0.008 0.000 0.274 378 S C -0.910 173.689 174.600 -0.002 0.000 1.150 378 S CA 0.126 58.323 58.200 -0.005 0.000 0.944 378 S CB 1.385 64.576 63.200 -0.014 0.000 1.071 378 S HN 0.617 nan 8.310 nan 0.000 0.479 379 D N 4.330 124.729 120.400 -0.002 0.000 2.317 379 D HA 0.171 4.816 4.640 0.008 0.000 0.252 379 D C 0.536 176.821 176.300 -0.025 0.000 1.174 379 D CA -0.377 53.629 54.000 0.009 0.000 0.866 379 D CB 0.654 41.466 40.800 0.020 0.000 1.127 379 D HN 0.620 nan 8.370 nan 0.000 0.467 380 I N 1.633 122.180 120.570 -0.039 0.000 2.836 380 I HA 0.042 4.217 4.170 0.008 0.000 0.285 380 I C -0.354 175.705 176.117 -0.097 0.000 1.174 380 I CA 0.103 61.353 61.300 -0.083 0.000 1.405 380 I CB 0.458 38.386 38.000 -0.120 0.000 1.385 380 I HN 0.390 nan 8.210 nan 0.000 0.594 381 N N 5.930 124.556 118.700 -0.123 0.000 2.655 381 N HA 0.255 5.000 4.740 0.008 0.000 0.277 381 N C -1.023 174.377 175.510 -0.182 0.000 1.177 381 N CA -0.564 52.388 53.050 -0.163 0.000 0.882 381 N CB 1.247 39.651 38.487 -0.138 0.000 1.481 381 N HN 0.394 nan 8.380 nan 0.000 0.547 382 V N -0.000 119.770 119.914 -0.239 0.000 3.295 382 V HA 0.670 4.795 4.120 0.008 0.000 0.308 382 V C -0.133 175.795 176.094 -0.277 0.000 1.068 382 V CA -0.361 61.809 62.300 -0.217 0.000 1.062 382 V CB 1.571 33.274 31.823 -0.199 0.000 1.162 382 V HN 0.643 nan 8.190 nan 0.000 0.456 383 D N 1.127 121.442 120.400 -0.141 0.000 2.440 383 D HA 0.237 4.882 4.640 0.008 0.000 0.252 383 D C 0.391 176.718 176.300 0.045 0.000 1.180 383 D CA -0.549 53.393 54.000 -0.096 0.000 0.894 383 D CB 0.925 41.738 40.800 0.022 0.000 1.111 383 D HN 0.675 nan 8.370 nan 0.000 0.544 384 W N 2.691 123.953 121.300 -0.065 0.000 2.341 384 W HA -0.031 4.632 4.660 0.005 0.000 0.283 384 W C 1.848 178.420 176.519 0.088 0.000 1.215 384 W CA 1.316 58.623 57.345 -0.064 0.000 1.211 384 W CB -0.632 28.768 29.460 -0.101 0.000 1.131 384 W HN 0.596 nan 8.180 nan 0.000 0.552 385 G N -0.888 108.133 108.800 0.369 0.000 2.887 385 G HA2 -0.022 3.943 3.960 0.008 0.000 0.211 385 G HA3 -0.022 3.943 3.960 0.008 0.000 0.211 385 G C 0.570 175.591 174.900 0.201 0.000 1.152 385 G CA -0.093 45.205 45.100 0.331 0.000 0.769 385 G HN 0.040 nan 8.290 nan 0.000 0.541 386 K N 1.216 121.732 120.400 0.193 0.000 2.701 386 K HA 0.347 4.672 4.320 0.008 0.000 0.212 386 K C -2.926 173.876 176.600 0.337 0.000 1.035 386 K CA -1.733 54.684 56.287 0.215 0.000 1.048 386 K CB 2.340 34.925 32.500 0.141 0.000 1.234 386 K HN -0.046 nan 8.250 nan 0.000 0.540 387 P HA 0.043 nan 4.420 nan 0.000 0.271 387 P C 0.960 178.507 177.300 0.412 0.000 1.218 387 P CA -0.476 62.826 63.100 0.337 0.000 0.780 387 P CB 0.615 32.570 31.700 0.425 0.000 0.901 388 I N 2.173 122.881 120.570 0.230 0.000 2.502 388 I HA -0.190 3.985 4.170 0.008 0.000 0.258 388 I C 1.688 177.930 176.117 0.208 0.000 1.172 388 I CA 1.490 62.889 61.300 0.164 0.000 1.430 388 I CB -0.931 36.979 38.000 -0.151 0.000 1.086 388 I HN 0.396 nan 8.210 nan 0.000 0.440 389 I N 0.451 121.083 120.570 0.104 0.000 2.617 389 I HA -0.201 3.973 4.170 0.008 0.000 0.256 389 I C 2.211 178.204 176.117 -0.205 0.000 1.167 389 I CA 1.117 62.315 61.300 -0.171 0.000 1.469 389 I CB -1.181 36.516 38.000 -0.504 0.000 1.098 389 I HN 0.231 nan 8.210 nan 0.000 0.436 390 D N -0.067 120.419 120.400 0.142 0.000 2.144 390 D HA -0.218 4.427 4.640 0.008 0.000 0.200 390 D C 2.177 178.502 176.300 0.043 0.000 0.978 390 D CA 1.203 55.307 54.000 0.174 0.000 0.833 390 D CB 0.038 41.014 40.800 0.292 0.000 0.961 390 D HN 0.232 nan 8.370 nan 0.000 0.470 391 Y N 0.415 120.782 120.300 0.110 0.000 2.097 391 Y HA -0.160 4.394 4.550 0.007 0.000 0.282 391 Y C 2.327 178.286 175.900 0.099 0.000 1.152 391 Y CA 0.715 58.893 58.100 0.130 0.000 1.136 391 Y CB -0.356 38.273 38.460 0.282 0.000 0.975 391 Y HN 0.099 nan 8.280 nan 0.000 0.498 392 I N -0.159 120.550 120.570 0.232 0.000 2.264 392 I HA -0.265 3.910 4.170 0.008 0.000 0.248 392 I C 1.881 178.018 176.117 0.033 0.000 1.111 392 I CA 1.687 63.054 61.300 0.112 0.000 1.382 392 I CB -1.048 36.962 38.000 0.017 0.000 1.060 392 I HN 0.321 nan 8.210 nan 0.000 0.418 393 L N 0.006 121.219 121.223 -0.018 0.000 2.567 393 L HA -0.000 4.344 4.340 0.008 0.000 0.225 393 L C 1.923 178.786 176.870 -0.010 0.000 1.119 393 L CA 0.802 55.618 54.840 -0.041 0.000 0.871 393 L CB -0.477 41.519 42.059 -0.104 0.000 1.036 393 L HN 0.298 nan 8.230 nan 0.000 0.459 394 T N -4.599 109.952 114.554 -0.005 0.000 3.069 394 T HA 0.229 4.584 4.350 0.008 0.000 0.252 394 T C 1.480 176.177 174.700 -0.005 0.000 1.053 394 T CA 0.416 62.505 62.100 -0.017 0.000 0.964 394 T CB 0.675 69.507 68.868 -0.060 0.000 1.005 394 T HN 0.340 nan 8.240 nan 0.000 0.532 395 G N 2.046 110.860 108.800 0.023 0.000 2.180 395 G HA2 -0.303 3.661 3.960 0.008 0.000 0.263 395 G HA3 -0.303 3.661 3.960 0.008 0.000 0.263 395 G C 0.043 174.957 174.900 0.023 0.000 0.989 395 G CA 0.116 45.235 45.100 0.031 0.000 0.692 395 G HN 0.735 nan 8.290 nan 0.000 0.526 396 N N 0.674 119.391 118.700 0.028 0.000 2.442 396 N HA 0.378 5.123 4.740 0.008 0.000 0.265 396 N C 1.218 176.754 175.510 0.044 0.000 1.138 396 N CA 0.838 53.902 53.050 0.024 0.000 0.956 396 N CB 0.920 39.384 38.487 -0.038 0.000 1.067 396 N HN 0.419 nan 8.380 nan 0.000 0.474 397 T N -0.480 113.979 114.554 -0.159 0.000 3.252 397 T HA 0.133 4.488 4.350 0.008 0.000 0.286 397 T C 0.248 174.484 174.700 -0.774 0.000 1.013 397 T CA -0.533 61.240 62.100 -0.546 0.000 0.914 397 T CB -0.401 68.319 68.868 -0.246 0.000 1.131 397 T HN 0.231 nan 8.240 nan 0.000 0.529 398 S N 1.744 117.175 115.700 -0.449 0.000 2.912 398 S HA 0.400 4.875 4.470 0.008 0.000 0.184 398 S C -0.648 173.822 174.600 -0.218 0.000 1.390 398 S CA -0.780 57.252 58.200 -0.280 0.000 1.088 398 S CB -0.879 62.274 63.200 -0.079 0.000 1.284 398 S HN 0.444 nan 8.310 nan 0.000 0.502 399 Y N 2.618 122.856 120.300 -0.103 0.000 2.544 399 Y HA 0.301 4.855 4.550 0.007 0.000 0.330 399 Y C -1.494 174.302 175.900 -0.173 0.000 1.136 399 Y CA -2.368 55.538 58.100 -0.323 0.000 1.417 399 Y CB -0.752 37.510 38.460 -0.329 0.000 1.229 399 Y HN 0.399 nan 8.280 nan 0.000 0.532 400 P HA -0.067 nan 4.420 nan 0.000 0.267 400 P C 1.029 178.323 177.300 -0.011 0.000 1.201 400 P CA -0.066 63.032 63.100 -0.002 0.000 0.775 400 P CB 0.672 32.370 31.700 -0.003 0.000 0.854 401 V N 0.448 120.359 119.914 -0.005 0.000 2.217 401 V HA -0.348 3.776 4.120 0.008 0.000 0.248 401 V C 2.036 178.108 176.094 -0.036 0.000 1.050 401 V CA 2.466 64.758 62.300 -0.013 0.000 1.007 401 V CB -2.189 29.628 31.823 -0.009 0.000 0.639 401 V HN 0.583 nan 8.190 nan 0.000 0.452 402 S N 0.109 115.785 115.700 -0.041 0.000 2.729 402 S HA -0.408 4.067 4.470 0.008 0.000 0.344 402 S C 1.566 176.112 174.600 -0.090 0.000 1.377 402 S CA 2.379 60.542 58.200 -0.062 0.000 1.091 402 S CB -1.021 62.143 63.200 -0.061 0.000 1.097 402 S HN 0.831 nan 8.310 nan 0.000 0.450 403 D N 0.715 121.055 120.400 -0.100 0.000 2.355 403 D HA 0.043 4.687 4.640 0.008 0.000 0.218 403 D C 0.087 176.295 176.300 -0.154 0.000 1.004 403 D CA 0.182 54.097 54.000 -0.142 0.000 0.880 403 D CB -0.275 40.420 40.800 -0.174 0.000 0.911 403 D HN 0.324 nan 8.370 nan 0.000 0.528 404 N N 1.004 119.634 118.700 -0.117 0.000 2.688 404 N HA -0.179 4.566 4.740 0.008 0.000 0.258 404 N C -0.501 174.910 175.510 -0.165 0.000 1.016 404 N CA 0.362 53.340 53.050 -0.121 0.000 0.747 404 N CB -1.076 37.333 38.487 -0.130 0.000 0.895 404 N HN 0.333 nan 8.380 nan 0.000 0.543 405 I N 0.637 121.121 120.570 -0.144 0.000 2.471 405 I HA 0.044 4.219 4.170 0.008 0.000 0.286 405 I C 0.723 176.775 176.117 -0.109 0.000 1.079 405 I CA -0.083 61.107 61.300 -0.184 0.000 1.398 405 I CB 0.848 38.694 38.000 -0.256 0.000 1.403 405 I HN -0.101 nan 8.210 nan 0.000 0.530 406 V N 7.001 126.843 119.914 -0.121 0.000 2.235 406 V HA 0.185 4.310 4.120 0.008 0.000 0.266 406 V C 0.413 176.622 176.094 0.192 0.000 1.055 406 V CA -0.747 61.579 62.300 0.044 0.000 0.844 406 V CB 0.598 32.395 31.823 -0.043 0.000 1.097 406 V HN 0.707 nan 8.190 nan 0.000 0.453 407 Q N 2.738 122.623 119.800 0.142 0.000 2.292 407 Q HA 0.121 4.466 4.340 0.008 0.000 0.290 407 Q C -0.493 175.646 176.000 0.231 0.000 1.161 407 Q CA 0.192 56.094 55.803 0.164 0.000 0.974 407 Q CB 0.549 29.371 28.738 0.141 0.000 1.136 407 Q HN 0.695 nan 8.270 nan 0.000 0.398 408 V N 4.342 124.407 119.914 0.251 0.000 2.275 408 V HA 0.102 4.227 4.120 0.008 0.000 0.272 408 V C 0.152 176.337 176.094 0.152 0.000 1.028 408 V CA -0.673 61.764 62.300 0.228 0.000 0.810 408 V CB 1.160 33.146 31.823 0.272 0.000 1.043 408 V HN 0.757 nan 8.190 nan 0.000 0.453 409 D N 3.115 123.583 120.400 0.112 0.000 2.123 409 D HA 0.020 4.665 4.640 0.008 0.000 0.200 409 D C 1.518 177.853 176.300 0.058 0.000 0.976 409 D CA 1.171 55.221 54.000 0.084 0.000 0.831 409 D CB 0.065 40.908 40.800 0.071 0.000 0.974 409 D HN 0.695 nan 8.370 nan 0.000 0.469 410 A N 1.382 124.224 122.820 0.036 0.000 2.608 410 A HA 0.032 4.357 4.320 0.008 0.000 0.239 410 A C 0.394 177.981 177.584 0.005 0.000 1.018 410 A CA 0.207 52.249 52.037 0.008 0.000 0.766 410 A CB 0.150 19.137 19.000 -0.022 0.000 0.928 410 A HN 0.017 nan 8.150 nan 0.000 0.512 411 V N 3.695 123.610 119.914 0.002 0.000 2.461 411 V HA 0.212 4.337 4.120 0.008 0.000 0.275 411 V C 0.882 176.957 176.094 -0.033 0.000 1.047 411 V CA 0.812 63.114 62.300 0.002 0.000 0.955 411 V CB 0.925 32.754 31.823 0.009 0.000 0.988 411 V HN 1.147 nan 8.190 nan 0.000 0.471 412 D N 2.785 123.155 120.400 -0.050 0.000 2.733 412 D HA -0.195 4.450 4.640 0.008 0.000 0.232 412 D C 0.092 176.280 176.300 -0.187 0.000 1.161 412 D CA 1.077 55.010 54.000 -0.113 0.000 0.653 412 D CB -0.270 40.482 40.800 -0.081 0.000 1.052 412 D HN 0.658 nan 8.370 nan 0.000 0.424 413 Q N -0.796 118.882 119.800 -0.203 0.000 2.297 413 Q HA 0.611 4.955 4.340 0.008 0.000 0.268 413 Q C -0.782 175.010 176.000 -0.347 0.000 1.045 413 Q CA -0.557 55.124 55.803 -0.204 0.000 0.861 413 Q CB 0.750 29.435 28.738 -0.087 0.000 1.344 413 Q HN 0.254 nan 8.270 nan 0.000 0.452 414 W N 1.239 122.424 121.300 -0.191 0.000 2.266 414 W HA 0.361 5.026 4.660 0.008 0.000 0.317 414 W C 0.226 176.425 176.519 -0.533 0.000 1.310 414 W CA -0.168 56.952 57.345 -0.376 0.000 1.207 414 W CB 0.721 29.981 29.460 -0.333 0.000 1.199 414 W HN 0.438 nan 8.180 nan 0.000 0.544 415 T N 0.436 114.650 114.554 -0.567 0.000 2.863 415 T HA 0.595 4.950 4.350 0.008 0.000 0.285 415 T C -1.208 172.874 174.700 -1.029 0.000 1.009 415 T CA -0.911 60.778 62.100 -0.687 0.000 0.989 415 T CB 1.109 69.587 68.868 -0.651 0.000 1.004 415 T HN 0.204 nan 8.240 nan 0.000 0.455 416 Y N 0.242 120.142 120.300 -0.666 0.000 2.377 416 Y HA 0.644 5.199 4.550 0.008 0.000 0.339 416 Y C -0.815 174.610 175.900 -0.792 0.000 1.011 416 Y CA -1.327 56.482 58.100 -0.486 0.000 1.093 416 Y CB 1.643 40.025 38.460 -0.129 0.000 1.201 416 Y HN 0.719 nan 8.280 nan 0.000 0.455 417 W N 4.510 125.869 121.300 0.098 0.000 2.647 417 W HA 0.507 5.173 4.660 0.008 0.000 0.328 417 W C -1.440 175.120 176.519 0.068 0.000 1.018 417 W CA -0.666 56.724 57.345 0.075 0.000 1.245 417 W CB 1.402 30.861 29.460 -0.002 0.000 1.356 417 W HN 0.251 nan 8.180 nan 0.000 0.443 418 L N 5.457 126.833 121.223 0.256 0.000 2.261 418 L HA 0.545 4.890 4.340 0.008 0.000 0.289 418 L C -0.748 176.282 176.870 0.267 0.000 1.059 418 L CA -0.471 54.468 54.840 0.165 0.000 0.816 418 L CB -0.073 42.022 42.059 0.060 0.000 1.191 418 L HN 0.299 nan 8.230 nan 0.000 0.431 419 I N 4.718 125.473 120.570 0.309 0.000 2.321 419 I HA 0.346 4.521 4.170 0.008 0.000 0.291 419 I C -0.130 176.181 176.117 0.322 0.000 0.998 419 I CA -0.130 61.360 61.300 0.316 0.000 1.227 419 I CB 1.365 39.569 38.000 0.339 0.000 1.368 419 I HN 0.567 nan 8.210 nan 0.000 0.466 420 E N 4.382 124.743 120.200 0.269 0.000 2.171 420 E HA 0.295 4.650 4.350 0.008 0.000 0.271 420 E C -0.407 176.323 176.600 0.216 0.000 0.916 420 E CA -0.667 55.898 56.400 0.275 0.000 0.774 420 E CB 1.130 30.978 29.700 0.247 0.000 1.128 420 E HN 0.292 nan 8.360 nan 0.000 0.403 421 N N 3.124 121.961 118.700 0.227 0.000 3.322 421 N HA 0.023 4.768 4.740 0.008 0.000 0.290 421 N C -0.972 174.647 175.510 0.182 0.000 1.297 421 N CA -0.106 53.064 53.050 0.200 0.000 1.167 421 N CB -0.275 38.343 38.487 0.217 0.000 1.434 421 N HN 0.481 nan 8.380 nan 0.000 0.526 422 D N 0.443 120.936 120.400 0.154 0.000 2.735 422 D HA -0.165 4.480 4.640 0.008 0.000 0.235 422 D C -1.400 174.963 176.300 0.104 0.000 1.175 422 D CA 0.178 54.247 54.000 0.114 0.000 0.683 422 D CB 0.203 41.063 40.800 0.100 0.000 1.008 422 D HN 0.418 nan 8.370 nan 0.000 0.416 423 P HA -0.147 nan 4.420 nan 0.000 0.220 423 P C 1.104 178.444 177.300 0.066 0.000 1.148 423 P CA 0.872 64.036 63.100 0.106 0.000 0.803 423 P CB 0.422 32.209 31.700 0.145 0.000 0.782 424 E N -0.042 120.193 120.200 0.058 0.000 2.442 424 E HA 0.118 4.473 4.350 0.008 0.000 0.195 424 E C 1.487 178.099 176.600 0.019 0.000 1.030 424 E CA 0.132 56.553 56.400 0.036 0.000 0.869 424 E CB -0.613 29.107 29.700 0.033 0.000 0.857 424 E HN 0.219 nan 8.360 nan 0.000 0.505 425 G N 1.814 110.620 108.800 0.010 0.000 2.611 425 G HA2 0.118 4.082 3.960 0.008 0.000 0.273 425 G HA3 0.118 4.082 3.960 0.008 0.000 0.273 425 G C -1.341 173.549 174.900 -0.017 0.000 1.305 425 G CA -0.558 44.522 45.100 -0.034 0.000 1.010 425 G HN 0.004 nan 8.290 nan 0.000 0.509 426 P HA 0.100 nan 4.420 nan 0.000 0.220 426 P C -0.092 177.359 177.300 0.251 0.000 1.152 426 P CA 0.972 64.126 63.100 0.090 0.000 0.812 426 P CB -0.000 31.771 31.700 0.119 0.000 0.792 427 F N -3.756 116.223 119.950 0.048 0.000 2.858 427 F HA 0.735 5.266 4.527 0.007 0.000 0.319 427 F C -1.360 174.502 175.800 0.104 0.000 1.166 427 F CA -1.390 56.647 58.000 0.061 0.000 0.899 427 F CB 0.589 39.622 39.000 0.056 0.000 1.332 427 F HN -0.333 nan 8.300 nan 0.000 0.461 428 S N 0.732 116.576 115.700 0.240 0.000 2.536 428 S HA 0.847 5.322 4.470 0.008 0.000 0.271 428 S C -1.617 173.103 174.600 0.201 0.000 1.134 428 S CA -0.673 57.638 58.200 0.184 0.000 0.897 428 S CB 1.299 64.590 63.200 0.151 0.000 1.094 428 S HN 0.754 nan 8.310 nan 0.000 0.473 429 L N 3.321 124.615 121.223 0.118 0.000 2.333 429 L HA 0.614 4.958 4.340 0.008 0.000 0.269 429 L C -2.425 174.232 176.870 -0.355 0.000 1.010 429 L CA -2.656 52.127 54.840 -0.096 0.000 0.818 429 L CB 1.992 43.940 42.059 -0.184 0.000 1.306 429 L HN 0.418 nan 8.230 nan 0.000 0.430 430 P HA 0.147 nan 4.420 nan 0.000 0.272 430 P C -1.301 175.727 177.300 -0.453 0.000 1.223 430 P CA 0.005 62.951 63.100 -0.256 0.000 0.784 430 P CB 0.451 32.031 31.700 -0.200 0.000 0.923 431 H N 1.172 120.239 119.070 -0.007 0.000 2.759 431 H HA 0.247 4.808 4.556 0.008 0.000 0.354 431 H C -2.409 172.986 175.328 0.111 0.000 1.074 431 H CA -1.945 54.113 56.048 0.017 0.000 1.226 431 H CB 1.931 31.624 29.762 -0.115 0.000 1.648 431 H HN 0.255 nan 8.280 nan 0.000 0.529 432 P HA 0.076 nan 4.420 nan 0.000 0.274 432 P C -0.211 177.195 177.300 0.177 0.000 1.291 432 P CA -0.400 62.867 63.100 0.279 0.000 0.815 432 P CB 0.356 32.210 31.700 0.258 0.000 0.897 433 M N 4.034 123.726 119.600 0.152 0.000 2.108 433 M HA 0.233 4.718 4.480 0.008 0.000 0.354 433 M C 0.025 176.463 176.300 0.229 0.000 1.229 433 M CA -0.555 54.754 55.300 0.015 0.000 1.081 433 M CB -0.463 32.176 32.600 0.065 0.000 1.606 433 M HN 0.387 nan 8.290 nan 0.000 0.467 434 H N 3.353 122.367 119.070 -0.092 0.000 2.609 434 H HA 0.657 5.217 4.556 0.008 0.000 0.344 434 H C -2.075 173.322 175.328 0.114 0.000 1.040 434 H CA -0.881 55.211 56.048 0.073 0.000 1.216 434 H CB 1.201 30.961 29.762 -0.003 0.000 1.529 434 H HN 0.598 nan 8.280 nan 0.000 0.519 435 L N 5.672 126.850 121.223 -0.075 0.000 2.307 435 L HA 0.377 4.721 4.340 0.008 0.000 0.284 435 L C -0.661 175.959 176.870 -0.415 0.000 1.023 435 L CA -0.184 54.638 54.840 -0.029 0.000 0.810 435 L CB 0.744 42.950 42.059 0.246 0.000 1.231 435 L HN 0.818 nan 8.230 nan 0.000 0.423 436 H N 3.474 122.356 119.070 -0.313 0.000 2.505 436 H HA 0.454 5.015 4.556 0.008 0.000 0.351 436 H C 0.899 176.064 175.328 -0.272 0.000 1.151 436 H CA 0.019 56.000 56.048 -0.112 0.000 1.339 436 H CB 1.259 31.152 29.762 0.219 0.000 1.483 436 H HN 0.922 nan 8.280 nan 0.000 0.558 437 G N 1.443 109.954 108.800 -0.481 0.000 2.241 437 G HA2 -0.214 3.751 3.960 0.008 0.000 0.244 437 G HA3 -0.214 3.751 3.960 0.008 0.000 0.244 437 G C 0.005 174.093 174.900 -1.354 0.000 0.998 437 G CA -0.002 44.138 45.100 -1.601 0.000 0.621 437 G HN 0.746 nan 8.290 nan 0.000 0.519 438 H N -0.101 118.470 119.070 -0.831 0.000 2.985 438 H HA 0.436 4.997 4.556 0.008 0.000 0.360 438 H C -1.397 173.510 175.328 -0.702 0.000 1.221 438 H CA -0.769 54.721 56.048 -0.930 0.000 1.121 438 H CB 1.697 31.010 29.762 -0.749 0.000 1.854 438 H HN 0.170 nan 8.280 nan 0.000 0.551 439 D N 1.622 121.719 120.400 -0.505 0.000 2.175 439 D HA 0.202 4.847 4.640 0.008 0.000 0.248 439 D C -0.107 176.115 176.300 -0.130 0.000 1.047 439 D CA -0.203 53.650 54.000 -0.246 0.000 0.883 439 D CB 1.357 42.155 40.800 -0.003 0.000 1.180 439 D HN 0.181 nan 8.370 nan 0.000 0.438 440 F N -0.268 119.744 119.950 0.104 0.000 2.450 440 F HA 0.509 5.040 4.527 0.008 0.000 0.328 440 F C -0.128 175.779 175.800 0.180 0.000 1.068 440 F CA -1.471 56.625 58.000 0.161 0.000 1.007 440 F CB 0.176 39.265 39.000 0.150 0.000 1.251 440 F HN 0.009 nan 8.300 nan 0.000 0.492 441 L N 2.318 123.824 121.223 0.473 0.000 2.305 441 L HA 0.399 4.744 4.340 0.008 0.000 0.281 441 L C -0.509 176.511 176.870 0.251 0.000 1.085 441 L CA -1.084 53.929 54.840 0.289 0.000 0.813 441 L CB 1.404 43.529 42.059 0.110 0.000 1.157 441 L HN 0.458 nan 8.230 nan 0.000 0.436 442 V N 5.466 125.510 119.914 0.217 0.000 2.322 442 V HA 0.099 4.223 4.120 0.008 0.000 0.258 442 V C 1.175 177.323 176.094 0.091 0.000 1.074 442 V CA -0.230 62.145 62.300 0.125 0.000 0.909 442 V CB 0.663 32.566 31.823 0.134 0.000 1.090 442 V HN 0.695 nan 8.190 nan 0.000 0.486 443 L N 3.426 124.698 121.223 0.081 0.000 2.313 443 L HA 0.438 4.783 4.340 0.008 0.000 0.214 443 L C 1.198 178.126 176.870 0.098 0.000 1.119 443 L CA 0.996 55.882 54.840 0.075 0.000 0.809 443 L CB -0.240 41.863 42.059 0.073 0.000 0.933 443 L HN 0.839 nan 8.230 nan 0.000 0.449 444 G N 0.030 108.897 108.800 0.113 0.000 2.350 444 G HA2 0.316 4.281 3.960 0.008 0.000 0.304 444 G HA3 0.316 4.281 3.960 0.008 0.000 0.304 444 G C -1.645 173.302 174.900 0.078 0.000 1.421 444 G CA -0.748 44.423 45.100 0.118 0.000 0.934 444 G HN 0.144 nan 8.290 nan 0.000 0.632 445 R N -1.316 119.047 120.500 -0.228 0.000 2.781 445 R HA 0.795 5.140 4.340 0.008 0.000 0.269 445 R C 0.243 175.712 176.300 -1.385 0.000 1.025 445 R CA -0.072 55.610 56.100 -0.696 0.000 0.914 445 R CB 1.005 31.096 30.300 -0.348 0.000 1.236 445 R HN 1.380 nan 8.270 nan 0.000 0.465 446 S N 1.228 115.872 115.700 -1.759 0.000 2.573 446 S HA 0.294 4.769 4.470 0.008 0.000 0.277 446 S C -1.952 172.171 174.600 -0.795 0.000 1.346 446 S CA -0.885 56.438 58.200 -1.461 0.000 1.034 446 S CB 0.383 62.916 63.200 -1.112 0.000 0.879 446 S HN 0.557 nan 8.310 nan 0.000 0.528 447 P HA 0.334 nan 4.420 nan 0.000 0.275 447 P C -1.040 176.088 177.300 -0.287 0.000 1.266 447 P CA -0.434 62.377 63.100 -0.483 0.000 0.793 447 P CB 0.207 31.643 31.700 -0.440 0.000 1.074 448 D N -0.169 120.123 120.400 -0.180 0.000 2.411 448 D HA 0.274 4.919 4.640 0.008 0.000 0.225 448 D C 0.073 176.341 176.300 -0.053 0.000 1.156 448 D CA -0.040 53.891 54.000 -0.115 0.000 0.874 448 D CB -0.006 40.730 40.800 -0.106 0.000 1.034 448 D HN 0.100 nan 8.370 nan 0.000 0.502 449 V N 0.690 120.600 119.914 -0.006 0.000 3.096 449 V HA 0.741 4.866 4.120 0.008 0.000 0.319 449 V C -2.437 173.660 176.094 0.006 0.000 1.103 449 V CA -2.639 59.680 62.300 0.031 0.000 1.016 449 V CB 1.231 33.124 31.823 0.116 0.000 1.090 449 V HN 0.155 nan 8.190 nan 0.000 0.449 450 P HA 0.159 nan 4.420 nan 0.000 0.264 450 P C 0.597 177.901 177.300 0.007 0.000 1.183 450 P CA 0.841 63.943 63.100 0.004 0.000 0.763 450 P CB 0.851 32.558 31.700 0.011 0.000 0.807 451 A N 3.938 126.756 122.820 -0.003 0.000 2.067 451 A HA -0.013 4.312 4.320 0.008 0.000 0.219 451 A C 1.744 179.337 177.584 0.015 0.000 1.158 451 A CA 1.752 53.785 52.037 -0.006 0.000 0.661 451 A CB -0.855 18.126 19.000 -0.032 0.000 0.801 451 A HN 0.542 nan 8.150 nan 0.000 0.452 452 A N -0.029 122.804 122.820 0.021 0.000 2.423 452 A HA 0.332 4.657 4.320 0.008 0.000 0.246 452 A C 1.748 179.347 177.584 0.024 0.000 1.278 452 A CA 0.819 52.873 52.037 0.029 0.000 0.903 452 A CB -0.611 18.404 19.000 0.025 0.000 0.997 452 A HN 0.803 nan 8.150 nan 0.000 0.510 453 S N -0.359 115.353 115.700 0.021 0.000 2.653 453 S HA -0.061 4.414 4.470 0.008 0.000 0.233 453 S C 0.718 175.322 174.600 0.007 0.000 0.970 453 S CA 0.835 59.044 58.200 0.014 0.000 0.947 453 S CB -0.279 62.930 63.200 0.015 0.000 0.771 453 S HN 0.489 nan 8.310 nan 0.000 0.538 454 Q N -0.631 119.180 119.800 0.017 0.000 2.460 454 Q HA -0.190 4.155 4.340 0.008 0.000 0.248 454 Q C -0.624 175.359 176.000 -0.029 0.000 0.847 454 Q CA 1.267 57.080 55.803 0.016 0.000 1.214 454 Q CB -2.394 26.354 28.738 0.017 0.000 1.523 454 Q HN 0.861 nan 8.270 nan 0.000 0.602 455 Q N 0.687 120.449 119.800 -0.063 0.000 2.261 455 Q HA 0.455 4.799 4.340 0.008 0.000 0.252 455 Q C 0.007 175.855 176.000 -0.254 0.000 0.915 455 Q CA -0.442 55.241 55.803 -0.200 0.000 0.915 455 Q CB 1.065 29.665 28.738 -0.229 0.000 1.204 455 Q HN -0.058 nan 8.270 nan 0.000 0.421 456 R N 2.278 122.556 120.500 -0.372 0.000 2.360 456 R HA 0.442 4.787 4.340 0.008 0.000 0.318 456 R C -1.246 174.814 176.300 -0.399 0.000 0.950 456 R CA -0.481 55.476 56.100 -0.238 0.000 0.837 456 R CB 0.411 30.655 30.300 -0.094 0.000 1.165 456 R HN 0.471 nan 8.270 nan 0.000 0.458 457 F N 1.520 121.554 119.950 0.139 0.000 2.449 457 F HA 0.383 4.915 4.527 0.008 0.000 0.342 457 F C 0.312 176.334 175.800 0.370 0.000 1.127 457 F CA -1.002 57.130 58.000 0.219 0.000 0.975 457 F CB 1.781 40.886 39.000 0.175 0.000 1.146 457 F HN 0.009 nan 8.300 nan 0.000 0.444 458 V N 4.586 124.788 119.914 0.479 0.000 2.481 458 V HA 0.207 4.332 4.120 0.008 0.000 0.286 458 V C -0.041 176.201 176.094 0.248 0.000 1.042 458 V CA -1.103 61.417 62.300 0.367 0.000 0.928 458 V CB 1.403 33.354 31.823 0.214 0.000 0.986 458 V HN 0.607 nan 8.190 nan 0.000 0.462 459 F N 3.752 123.521 119.950 -0.302 0.000 2.623 459 F HA 0.113 4.645 4.527 0.008 0.000 0.383 459 F C 0.331 175.979 175.800 -0.253 0.000 1.077 459 F CA 0.492 58.014 58.000 -0.796 0.000 1.268 459 F CB 0.351 38.674 39.000 -1.128 0.000 1.053 459 F HN 0.606 nan 8.300 nan 0.000 0.571 460 D N 8.310 128.503 120.400 -0.345 0.000 2.469 460 D HA 0.323 4.967 4.640 0.008 0.000 0.251 460 D C -1.855 174.349 176.300 -0.160 0.000 1.173 460 D CA -1.877 52.076 54.000 -0.078 0.000 0.882 460 D CB 1.743 42.540 40.800 -0.005 0.000 1.129 460 D HN 0.110 nan 8.370 nan 0.000 0.549 461 P HA -0.307 nan 4.420 nan 0.000 0.216 461 P C 1.246 178.561 177.300 0.024 0.000 1.167 461 P CA 1.777 64.973 63.100 0.159 0.000 0.914 461 P CB 0.109 31.909 31.700 0.166 0.000 0.793 462 A N -0.989 121.840 122.820 0.014 0.000 1.954 462 A HA -0.261 4.064 4.320 0.008 0.000 0.222 462 A C 2.443 180.011 177.584 -0.026 0.000 1.199 462 A CA 3.001 55.037 52.037 -0.002 0.000 0.657 462 A CB -1.672 17.331 19.000 0.005 0.000 0.823 462 A HN 0.278 nan 8.150 nan 0.000 0.463 463 V N -1.827 118.050 119.914 -0.061 0.000 3.212 463 V HA 0.055 4.180 4.120 0.008 0.000 0.244 463 V C 1.276 177.298 176.094 -0.121 0.000 1.151 463 V CA 1.607 63.864 62.300 -0.071 0.000 1.119 463 V CB -0.074 31.719 31.823 -0.049 0.000 0.838 463 V HN 0.493 nan 8.190 nan 0.000 0.470 464 D N 0.064 120.318 120.400 -0.244 0.000 2.355 464 D HA 0.131 4.775 4.640 0.008 0.000 0.206 464 D C 2.109 178.277 176.300 -0.220 0.000 1.010 464 D CA 0.583 54.364 54.000 -0.366 0.000 0.875 464 D CB 0.282 40.555 40.800 -0.879 0.000 0.966 464 D HN 0.407 nan 8.370 nan 0.000 0.512 465 L N 1.086 122.255 121.223 -0.091 0.000 2.129 465 L HA -0.152 4.193 4.340 0.008 0.000 0.212 465 L C 2.271 179.141 176.870 0.000 0.000 1.087 465 L CA 1.112 55.965 54.840 0.022 0.000 0.757 465 L CB -0.544 41.554 42.059 0.064 0.000 0.896 465 L HN -0.025 nan 8.230 nan 0.000 0.434 466 A N -0.201 122.606 122.820 -0.022 0.000 2.238 466 A HA -0.006 4.318 4.320 0.008 0.000 0.208 466 A C 2.097 179.670 177.584 -0.018 0.000 1.177 466 A CA 0.348 52.375 52.037 -0.016 0.000 0.804 466 A CB -0.288 18.699 19.000 -0.021 0.000 0.823 466 A HN 0.371 nan 8.150 nan 0.000 0.482 467 R N -0.828 119.661 120.500 -0.018 0.000 2.334 467 R HA 0.335 4.679 4.340 0.008 0.000 0.212 467 R C -0.061 176.254 176.300 0.024 0.000 0.897 467 R CA -0.187 55.908 56.100 -0.008 0.000 1.056 467 R CB 0.097 30.384 30.300 -0.022 0.000 1.046 467 R HN 0.375 nan 8.270 nan 0.000 0.513 468 L N 0.877 122.124 121.223 0.041 0.000 2.468 468 L HA 0.243 4.588 4.340 0.008 0.000 0.254 468 L C -0.033 176.855 176.870 0.029 0.000 1.171 468 L CA -0.623 54.252 54.840 0.057 0.000 0.809 468 L CB 0.427 42.523 42.059 0.061 0.000 1.155 468 L HN 0.003 nan 8.230 nan 0.000 0.473 469 N N -0.599 118.117 118.700 0.027 0.000 2.629 469 N HA 0.245 4.989 4.740 0.008 0.000 0.277 469 N C 0.011 175.521 175.510 -0.001 0.000 1.188 469 N CA -0.264 52.794 53.050 0.012 0.000 0.835 469 N CB 1.546 40.043 38.487 0.017 0.000 1.420 469 N HN 0.595 nan 8.380 nan 0.000 0.542 470 G N 1.172 109.960 108.800 -0.020 0.000 2.985 470 G HA2 -0.032 3.932 3.960 0.008 0.000 0.209 470 G HA3 -0.032 3.932 3.960 0.008 0.000 0.209 470 G C 0.053 174.918 174.900 -0.057 0.000 1.165 470 G CA -0.075 44.991 45.100 -0.057 0.000 0.776 470 G HN 0.601 nan 8.290 nan 0.000 0.541 471 D N 0.703 121.088 120.400 -0.025 0.000 2.479 471 D HA 0.121 4.766 4.640 0.008 0.000 0.218 471 D C 0.523 176.825 176.300 0.004 0.000 1.131 471 D CA -0.734 53.259 54.000 -0.012 0.000 0.916 471 D CB -0.365 40.434 40.800 -0.002 0.000 1.022 471 D HN -0.011 nan 8.370 nan 0.000 0.515 472 N N 3.230 121.932 118.700 0.004 0.000 2.666 472 N HA -0.137 4.608 4.740 0.008 0.000 0.274 472 N C -2.450 173.085 175.510 0.042 0.000 1.043 472 N CA 0.308 53.376 53.050 0.030 0.000 0.782 472 N CB -0.215 38.298 38.487 0.043 0.000 0.912 472 N HN 0.334 nan 8.380 nan 0.000 0.556 473 P HA 0.284 nan 4.420 nan 0.000 0.276 473 P C -2.622 174.739 177.300 0.100 0.000 1.252 473 P CA -1.224 61.914 63.100 0.063 0.000 0.802 473 P CB 0.169 31.901 31.700 0.054 0.000 1.035 474 P HA 0.088 nan 4.420 nan 0.000 0.261 474 P C -0.064 177.349 177.300 0.189 0.000 1.173 474 P CA 0.757 63.948 63.100 0.152 0.000 0.760 474 P CB 0.193 31.994 31.700 0.169 0.000 0.783 475 R N 3.967 124.574 120.500 0.178 0.000 2.437 475 R HA 0.636 4.981 4.340 0.008 0.000 0.310 475 R C 0.132 176.510 176.300 0.130 0.000 0.955 475 R CA -0.620 55.593 56.100 0.189 0.000 0.851 475 R CB 0.918 31.322 30.300 0.173 0.000 1.161 475 R HN 0.619 nan 8.270 nan 0.000 0.446 476 R N 1.219 121.758 120.500 0.064 0.000 2.888 476 R HA 0.109 4.454 4.340 0.008 0.000 0.277 476 R C -1.200 174.815 176.300 -0.475 0.000 0.981 476 R CA -0.464 55.599 56.100 -0.061 0.000 0.841 476 R CB -0.033 30.295 30.300 0.048 0.000 1.405 476 R HN 0.576 nan 8.270 nan 0.000 0.472 477 D N -0.940 119.250 120.400 -0.350 0.000 2.479 477 D HA 0.148 4.793 4.640 0.008 0.000 0.221 477 D C -0.473 175.805 176.300 -0.036 0.000 1.104 477 D CA 0.258 53.979 54.000 -0.465 0.000 0.849 477 D CB 0.861 41.611 40.800 -0.084 0.000 1.072 477 D HN 0.474 nan 8.370 nan 0.000 0.502 478 T N -0.513 114.166 114.554 0.208 0.000 2.881 478 T HA 0.643 4.998 4.350 0.008 0.000 0.290 478 T C -0.933 174.062 174.700 0.491 0.000 1.000 478 T CA -0.658 61.716 62.100 0.457 0.000 0.978 478 T CB 2.165 71.188 68.868 0.259 0.000 0.997 478 T HN -0.005 nan 8.240 nan 0.000 0.443 479 T N 2.308 117.166 114.554 0.508 0.000 2.853 479 T HA 0.493 4.847 4.350 0.008 0.000 0.311 479 T C -1.171 173.679 174.700 0.249 0.000 1.307 479 T CA -0.869 61.437 62.100 0.344 0.000 1.019 479 T CB 0.956 70.021 68.868 0.328 0.000 1.264 479 T HN 0.433 nan 8.240 nan 0.000 0.497 480 M N 3.320 123.040 119.600 0.200 0.000 2.200 480 M HA 0.330 4.814 4.480 0.008 0.000 0.355 480 M C -0.251 176.098 176.300 0.082 0.000 1.283 480 M CA -0.623 54.762 55.300 0.141 0.000 1.124 480 M CB 0.196 32.846 32.600 0.084 0.000 1.625 480 M HN 0.499 nan 8.290 nan 0.000 0.463 481 L N 7.554 128.840 121.223 0.105 0.000 2.313 481 L HA 0.413 4.758 4.340 0.008 0.000 0.282 481 L C -2.324 174.580 176.870 0.057 0.000 1.092 481 L CA -1.339 53.561 54.840 0.099 0.000 0.831 481 L CB 0.508 42.663 42.059 0.161 0.000 1.159 481 L HN 0.368 nan 8.230 nan 0.000 0.442 482 P HA 0.231 nan 4.420 nan 0.000 0.280 482 P C -0.849 176.475 177.300 0.040 0.000 1.244 482 P CA -0.412 62.677 63.100 -0.017 0.000 0.784 482 P CB 0.777 32.423 31.700 -0.090 0.000 0.913 483 A N 3.557 126.391 122.820 0.022 0.000 2.609 483 A HA 0.300 4.625 4.320 0.008 0.000 0.232 483 A C 1.705 179.340 177.584 0.086 0.000 1.041 483 A CA 0.722 52.789 52.037 0.051 0.000 0.753 483 A CB -1.370 17.649 19.000 0.031 0.000 0.966 483 A HN 0.884 nan 8.150 nan 0.000 0.510 484 G N 1.434 110.300 108.800 0.109 0.000 2.429 484 G HA2 -0.026 3.938 3.960 0.008 0.000 0.314 484 G HA3 -0.026 3.938 3.960 0.008 0.000 0.314 484 G C 0.890 175.882 174.900 0.153 0.000 0.957 484 G CA 1.619 46.786 45.100 0.112 0.000 0.806 484 G HN 1.835 nan 8.290 nan 0.000 0.511 485 G N -0.931 107.970 108.800 0.169 0.000 3.286 485 G HA2 0.753 4.717 3.960 0.008 0.000 0.166 485 G HA3 0.753 4.717 3.960 0.008 0.000 0.166 485 G C -0.148 174.904 174.900 0.252 0.000 1.155 485 G CA -0.282 44.934 45.100 0.193 0.000 0.871 485 G HN 1.005 nan 8.290 nan 0.000 0.637 486 W N -1.540 119.864 121.300 0.174 0.000 3.074 486 W HA 0.696 5.360 4.660 0.008 0.000 0.332 486 W C -2.426 174.170 176.519 0.127 0.000 1.253 486 W CA -1.146 56.297 57.345 0.164 0.000 1.180 486 W CB 1.100 30.687 29.460 0.211 0.000 1.445 486 W HN 0.693 nan 8.180 nan 0.000 0.573 487 L N 2.693 124.210 121.223 0.490 0.000 2.431 487 L HA 0.797 5.141 4.340 0.008 0.000 0.266 487 L C -2.196 174.951 176.870 0.462 0.000 0.978 487 L CA -0.704 54.341 54.840 0.342 0.000 0.822 487 L CB 1.989 44.138 42.059 0.151 0.000 1.310 487 L HN 0.409 nan 8.230 nan 0.000 0.409 488 L N 5.079 126.551 121.223 0.414 0.000 2.349 488 L HA 0.781 5.126 4.340 0.008 0.000 0.278 488 L C -1.356 175.583 176.870 0.115 0.000 0.996 488 L CA -0.073 54.890 54.840 0.205 0.000 0.825 488 L CB 1.454 43.572 42.059 0.098 0.000 1.243 488 L HN 0.751 nan 8.230 nan 0.000 0.412 489 L N 3.768 125.044 121.223 0.088 0.000 2.277 489 L HA 1.037 5.381 4.340 0.008 0.000 0.254 489 L C -0.702 176.239 176.870 0.118 0.000 1.044 489 L CA -0.834 54.041 54.840 0.057 0.000 0.842 489 L CB 1.973 43.958 42.059 -0.122 0.000 1.422 489 L HN 0.647 nan 8.230 nan 0.000 0.422 490 A N 0.695 123.602 122.820 0.146 0.000 2.549 490 A HA 0.894 5.218 4.320 0.008 0.000 0.297 490 A C -1.482 176.329 177.584 0.379 0.000 1.061 490 A CA -0.391 51.694 52.037 0.080 0.000 0.690 490 A CB 1.561 20.401 19.000 -0.265 0.000 1.287 490 A HN 0.597 nan 8.150 nan 0.000 0.402 491 F N -0.561 119.462 119.950 0.121 0.000 2.613 491 F HA 0.870 5.402 4.527 0.008 0.000 0.314 491 F C -0.408 175.209 175.800 -0.305 0.000 1.075 491 F CA -1.084 56.881 58.000 -0.059 0.000 0.945 491 F CB 1.378 40.151 39.000 -0.379 0.000 1.310 491 F HN 0.688 nan 8.300 nan 0.000 0.467 492 R N 0.092 120.220 120.500 -0.619 0.000 2.500 492 R HA 0.460 4.805 4.340 0.008 0.000 0.275 492 R C -0.112 175.948 176.300 -0.401 0.000 1.051 492 R CA -0.060 55.519 56.100 -0.867 0.000 1.088 492 R CB 1.229 30.854 30.300 -1.126 0.000 1.063 492 R HN 0.921 nan 8.270 nan 0.000 0.511 493 T N -0.099 114.267 114.554 -0.313 0.000 3.419 493 T HA 0.052 4.407 4.350 0.008 0.000 0.228 493 T C 0.028 174.761 174.700 0.055 0.000 0.939 493 T CA -0.533 61.536 62.100 -0.053 0.000 0.992 493 T CB -0.375 68.463 68.868 -0.050 0.000 1.186 493 T HN 0.657 nan 8.240 nan 0.000 0.612 494 D N -0.186 120.253 120.400 0.067 0.000 2.323 494 D HA 0.026 4.671 4.640 0.008 0.000 0.239 494 D C 0.248 176.583 176.300 0.059 0.000 1.129 494 D CA -0.299 53.718 54.000 0.027 0.000 0.865 494 D CB -0.107 40.657 40.800 -0.059 0.000 0.913 494 D HN 0.321 nan 8.370 nan 0.000 0.517 495 N N 0.492 119.278 118.700 0.143 0.000 2.685 495 N HA 0.220 4.965 4.740 0.008 0.000 0.252 495 N C -2.956 172.802 175.510 0.413 0.000 1.261 495 N CA -1.802 51.337 53.050 0.148 0.000 0.768 495 N CB 1.203 39.560 38.487 -0.217 0.000 1.304 495 N HN -0.196 nan 8.380 nan 0.000 0.536 496 P HA 0.193 nan 4.420 nan 0.000 0.256 496 P C -0.050 177.401 177.300 0.251 0.000 1.189 496 P CA 0.473 63.727 63.100 0.256 0.000 0.808 496 P CB 0.256 32.040 31.700 0.141 0.000 0.793 497 G N 2.036 110.962 108.800 0.210 0.000 2.601 497 G HA2 0.566 4.531 3.960 0.008 0.000 0.291 497 G HA3 0.566 4.531 3.960 0.008 0.000 0.291 497 G C -1.761 172.714 174.900 -0.708 0.000 1.456 497 G CA -0.553 44.259 45.100 -0.481 0.000 0.804 497 G HN 0.386 nan 8.290 nan 0.000 0.499 498 A N -0.118 122.201 122.820 -0.835 0.000 2.269 498 A HA 0.693 5.018 4.320 0.008 0.000 0.302 498 A C -1.196 175.978 177.584 -0.683 0.000 1.266 498 A CA -0.366 51.338 52.037 -0.555 0.000 0.894 498 A CB -0.060 18.724 19.000 -0.360 0.000 1.147 498 A HN 0.617 nan 8.150 nan 0.000 0.537 499 W N 3.487 124.824 121.300 0.062 0.000 2.587 499 W HA 0.467 5.132 4.660 0.008 0.000 0.324 499 W C -0.461 176.071 176.519 0.022 0.000 1.008 499 W CA -0.637 56.765 57.345 0.095 0.000 1.265 499 W CB 1.167 30.701 29.460 0.124 0.000 1.328 499 W HN 0.459 nan 8.180 nan 0.000 0.432 500 L N 3.428 124.700 121.223 0.081 0.000 2.485 500 L HA 0.182 4.527 4.340 0.008 0.000 0.275 500 L C -0.272 176.578 176.870 -0.033 0.000 1.207 500 L CA 0.077 54.822 54.840 -0.158 0.000 0.855 500 L CB 0.188 41.949 42.059 -0.497 0.000 1.114 500 L HN 0.349 nan 8.230 nan 0.000 0.485 501 F N 3.855 123.705 119.950 -0.167 0.000 2.500 501 F HA 0.457 4.989 4.527 0.008 0.000 0.349 501 F C -0.274 175.488 175.800 -0.064 0.000 1.127 501 F CA -0.456 57.475 58.000 -0.116 0.000 0.998 501 F CB 0.567 39.534 39.000 -0.056 0.000 1.237 501 F HN 0.565 nan 8.300 nan 0.000 0.439 502 H N 2.116 120.777 119.070 -0.681 0.000 3.016 502 H HA 0.479 5.040 4.556 0.008 0.000 0.362 502 H C -1.220 173.892 175.328 -0.361 0.000 1.233 502 H CA -1.442 54.307 56.048 -0.498 0.000 1.124 502 H CB 0.872 30.452 29.762 -0.304 0.000 1.850 502 H HN 0.671 nan 8.280 nan 0.000 0.549 503 C N 2.515 121.687 119.300 -0.213 0.000 2.648 503 C HA 0.065 4.530 4.460 0.008 0.000 0.419 503 C C 1.445 176.452 174.990 0.030 0.000 1.352 503 C CA -0.086 58.876 59.018 -0.093 0.000 1.816 503 C CB -0.835 26.863 27.740 -0.071 0.000 2.598 503 C HN 1.026 nan 8.230 nan 0.000 0.598 504 H N 3.715 122.786 119.070 0.002 0.000 2.547 504 H HA 0.248 4.809 4.556 0.008 0.000 0.266 504 H C 0.554 175.867 175.328 -0.025 0.000 0.988 504 H CA 0.555 56.637 56.048 0.057 0.000 1.147 504 H CB 0.062 29.853 29.762 0.048 0.000 1.365 504 H HN 0.657 nan 8.280 nan 0.000 0.589 505 I N 0.881 121.448 120.570 -0.004 0.000 2.416 505 I HA 0.001 4.176 4.170 0.008 0.000 0.288 505 I C 1.568 177.436 176.117 -0.414 0.000 1.051 505 I CA -0.220 60.916 61.300 -0.273 0.000 1.375 505 I CB 1.533 39.344 38.000 -0.315 0.000 1.407 505 I HN 0.075 nan 8.210 nan 0.000 0.516 506 A N 7.198 129.575 122.820 -0.739 0.000 1.865 506 A HA -0.165 4.160 4.320 0.008 0.000 0.217 506 A C 1.880 179.246 177.584 -0.362 0.000 1.191 506 A CA 1.318 52.934 52.037 -0.703 0.000 0.623 506 A CB -0.758 17.483 19.000 -1.264 0.000 0.826 506 A HN 0.940 nan 8.150 nan 0.000 0.444 507 W N -0.696 120.505 121.300 -0.165 0.000 2.290 507 W HA -0.287 4.379 4.660 0.009 0.000 0.318 507 W C 2.245 178.773 176.519 0.016 0.000 1.248 507 W CA 1.190 58.469 57.345 -0.110 0.000 1.263 507 W CB -0.803 28.554 29.460 -0.171 0.000 1.147 507 W HN 0.552 nan 8.180 nan 0.000 0.494 508 H N -0.616 118.532 119.070 0.129 0.000 2.343 508 H HA -0.103 4.457 4.556 0.008 0.000 0.303 508 H C 2.389 177.685 175.328 -0.054 0.000 1.068 508 H CA 1.161 57.152 56.048 -0.096 0.000 1.359 508 H CB -0.604 28.851 29.762 -0.511 0.000 1.402 508 H HN 0.006 nan 8.280 nan 0.000 0.515 509 V N 0.947 120.888 119.914 0.044 0.000 2.490 509 V HA -0.253 3.872 4.120 0.008 0.000 0.250 509 V C 2.509 178.621 176.094 0.031 0.000 1.061 509 V CA 2.076 64.382 62.300 0.010 0.000 1.064 509 V CB -0.408 31.405 31.823 -0.016 0.000 0.670 509 V HN 0.540 nan 8.190 nan 0.000 0.461 510 S N 0.232 115.980 115.700 0.079 0.000 2.399 510 S HA -0.063 4.412 4.470 0.008 0.000 0.231 510 S C 1.957 176.636 174.600 0.132 0.000 1.022 510 S CA 1.659 59.922 58.200 0.106 0.000 0.983 510 S CB -0.697 62.609 63.200 0.177 0.000 0.803 510 S HN 0.708 nan 8.310 nan 0.000 0.480 511 G N -0.520 108.418 108.800 0.231 0.000 2.623 511 G HA2 0.426 4.390 3.960 0.008 0.000 0.214 511 G HA3 0.426 4.390 3.960 0.008 0.000 0.214 511 G C 1.013 176.069 174.900 0.259 0.000 1.138 511 G CA 0.319 45.611 45.100 0.319 0.000 0.794 511 G HN 1.340 nan 8.290 nan 0.000 0.535 512 G N -0.558 108.345 108.800 0.173 0.000 2.551 512 G HA2 -0.190 3.775 3.960 0.008 0.000 0.186 512 G HA3 -0.190 3.775 3.960 0.008 0.000 0.186 512 G C 0.478 175.418 174.900 0.068 0.000 1.002 512 G CA -0.124 45.039 45.100 0.105 0.000 0.723 512 G HN 0.348 nan 8.290 nan 0.000 0.481 513 L N 2.838 124.102 121.223 0.069 0.000 2.450 513 L HA 0.561 4.906 4.340 0.008 0.000 0.256 513 L C 0.405 177.222 176.870 -0.089 0.000 1.374 513 L CA 0.492 55.295 54.840 -0.063 0.000 1.210 513 L CB -0.075 41.825 42.059 -0.266 0.000 1.394 513 L HN 0.230 nan 8.230 nan 0.000 0.438 514 S N 0.505 116.152 115.700 -0.089 0.000 2.579 514 S HA 0.741 5.215 4.470 0.008 0.000 0.272 514 S C -0.658 173.860 174.600 -0.136 0.000 1.141 514 S CA -0.582 57.546 58.200 -0.121 0.000 0.843 514 S CB 1.721 64.823 63.200 -0.163 0.000 1.122 514 S HN 0.176 nan 8.310 nan 0.000 0.468 515 V N 0.205 120.016 119.914 -0.172 0.000 3.181 515 V HA 0.793 4.917 4.120 0.008 0.000 0.314 515 V C -1.223 174.681 176.094 -0.316 0.000 1.173 515 V CA -0.753 61.391 62.300 -0.260 0.000 1.052 515 V CB 1.927 33.521 31.823 -0.381 0.000 1.123 515 V HN 0.796 nan 8.190 nan 0.000 0.454 516 D N 0.526 120.706 120.400 -0.365 0.000 2.462 516 D HA 0.402 5.046 4.640 0.008 0.000 0.245 516 D C -1.208 174.900 176.300 -0.321 0.000 1.122 516 D CA -0.443 53.380 54.000 -0.295 0.000 0.864 516 D CB 0.981 41.635 40.800 -0.244 0.000 1.098 516 D HN 0.400 nan 8.370 nan 0.000 0.541 517 F N 3.578 123.502 119.950 -0.043 0.000 2.490 517 F HA 0.133 4.665 4.527 0.008 0.000 0.357 517 F C 0.864 176.673 175.800 0.016 0.000 1.166 517 F CA -0.646 57.352 58.000 -0.003 0.000 1.116 517 F CB 0.400 39.425 39.000 0.040 0.000 1.171 517 F HN 0.242 nan 8.300 nan 0.000 0.576 518 L N 4.831 126.122 121.223 0.113 0.000 2.448 518 L HA 0.132 4.476 4.340 0.008 0.000 0.278 518 L C 0.411 177.369 176.870 0.147 0.000 1.201 518 L CA -0.016 54.828 54.840 0.007 0.000 1.036 518 L CB -0.517 41.445 42.059 -0.161 0.000 1.325 518 L HN 0.538 nan 8.230 nan 0.000 0.441 519 E N 4.733 125.073 120.200 0.233 0.000 2.180 519 E HA 0.195 4.549 4.350 0.008 0.000 0.283 519 E C -0.064 176.659 176.600 0.205 0.000 1.061 519 E CA -0.530 56.054 56.400 0.307 0.000 0.861 519 E CB 0.270 30.296 29.700 0.543 0.000 1.056 519 E HN 0.549 nan 8.360 nan 0.000 0.407 520 R N 3.266 123.865 120.500 0.165 0.000 3.158 520 R HA -0.152 4.193 4.340 0.008 0.000 0.244 520 R C -1.851 174.506 176.300 0.095 0.000 0.900 520 R CA 0.299 56.471 56.100 0.120 0.000 0.618 520 R CB -1.351 29.021 30.300 0.120 0.000 1.061 520 R HN 0.576 nan 8.270 nan 0.000 0.471 521 P HA -0.301 nan 4.420 nan 0.000 0.217 521 P C 1.403 178.741 177.300 0.064 0.000 1.151 521 P CA 2.127 65.265 63.100 0.065 0.000 0.849 521 P CB 0.104 31.860 31.700 0.093 0.000 0.787 522 A N 0.413 123.274 122.820 0.069 0.000 1.865 522 A HA -0.231 4.094 4.320 0.008 0.000 0.217 522 A C 2.240 179.853 177.584 0.048 0.000 1.191 522 A CA 2.103 54.174 52.037 0.057 0.000 0.623 522 A CB -1.493 17.540 19.000 0.055 0.000 0.826 522 A HN 0.089 nan 8.150 nan 0.000 0.444 523 D N -0.512 119.920 120.400 0.053 0.000 2.116 523 D HA -0.166 4.478 4.640 0.008 0.000 0.193 523 D C 1.877 178.205 176.300 0.047 0.000 0.998 523 D CA 1.584 55.616 54.000 0.053 0.000 0.836 523 D CB -0.309 40.532 40.800 0.068 0.000 0.951 523 D HN 0.289 nan 8.370 nan 0.000 0.449 524 L N 1.649 122.898 121.223 0.043 0.000 1.956 524 L HA -0.213 4.131 4.340 0.008 0.000 0.216 524 L C 2.489 179.360 176.870 0.001 0.000 1.073 524 L CA 1.913 56.764 54.840 0.018 0.000 0.762 524 L CB -0.783 41.271 42.059 -0.009 0.000 0.889 524 L HN -0.091 nan 8.230 nan 0.000 0.433 525 R N -0.855 119.646 120.500 0.002 0.000 2.103 525 R HA -0.254 4.090 4.340 0.008 0.000 0.242 525 R C 2.255 178.556 176.300 0.002 0.000 1.142 525 R CA 2.085 58.181 56.100 -0.005 0.000 0.960 525 R CB -0.311 29.992 30.300 0.005 0.000 0.858 525 R HN 0.567 nan 8.270 nan 0.000 0.439 526 Q N -0.572 119.236 119.800 0.015 0.000 2.297 526 Q HA -0.150 4.195 4.340 0.008 0.000 0.208 526 Q C 1.710 177.722 176.000 0.020 0.000 0.981 526 Q CA 1.713 57.527 55.803 0.018 0.000 0.876 526 Q CB 0.110 28.863 28.738 0.025 0.000 0.921 526 Q HN 0.361 nan 8.270 nan 0.000 0.446 527 R N -0.807 119.705 120.500 0.020 0.000 2.344 527 R HA 0.238 4.583 4.340 0.008 0.000 0.209 527 R C -0.087 176.228 176.300 0.025 0.000 0.886 527 R CA -0.197 55.922 56.100 0.030 0.000 1.040 527 R CB 0.625 30.951 30.300 0.044 0.000 1.114 527 R HN 0.125 nan 8.270 nan 0.000 0.547 528 I N 2.379 122.950 120.570 0.002 0.000 2.618 528 I HA -0.064 4.111 4.170 0.008 0.000 0.284 528 I C 0.908 177.029 176.117 0.006 0.000 1.146 528 I CA 0.059 61.353 61.300 -0.010 0.000 1.425 528 I CB 0.852 38.815 38.000 -0.061 0.000 1.383 528 I HN 0.106 nan 8.210 nan 0.000 0.562 529 S N 4.220 119.934 115.700 0.023 0.000 2.652 529 S HA 0.163 4.637 4.470 0.008 0.000 0.270 529 S C 0.620 175.235 174.600 0.025 0.000 1.243 529 S CA -0.595 57.624 58.200 0.031 0.000 0.999 529 S CB 1.717 64.947 63.200 0.050 0.000 0.973 529 S HN 0.637 nan 8.310 nan 0.000 0.544 530 Q N 0.529 120.344 119.800 0.026 0.000 2.167 530 Q HA -0.045 4.300 4.340 0.008 0.000 0.202 530 Q C 1.551 177.570 176.000 0.031 0.000 0.970 530 Q CA 1.950 57.768 55.803 0.024 0.000 0.855 530 Q CB -0.394 28.356 28.738 0.021 0.000 0.911 530 Q HN 0.893 nan 8.270 nan 0.000 0.438 531 E N -0.344 119.878 120.200 0.036 0.000 2.170 531 E HA -0.057 4.298 4.350 0.008 0.000 0.191 531 E C 1.423 178.054 176.600 0.051 0.000 0.981 531 E CA 1.012 57.437 56.400 0.042 0.000 0.830 531 E CB -0.056 29.668 29.700 0.041 0.000 0.775 531 E HN 0.312 nan 8.360 nan 0.000 0.470 532 D N 0.763 121.196 120.400 0.055 0.000 2.097 532 D HA -0.178 4.467 4.640 0.008 0.000 0.195 532 D C 1.845 178.172 176.300 0.046 0.000 0.989 532 D CA 1.185 55.208 54.000 0.039 0.000 0.827 532 D CB -0.135 40.686 40.800 0.035 0.000 0.966 532 D HN 0.287 nan 8.370 nan 0.000 0.456 533 E N 0.585 120.803 120.200 0.031 0.000 2.012 533 E HA -0.205 4.150 4.350 0.008 0.000 0.197 533 E C 1.348 178.020 176.600 0.120 0.000 1.007 533 E CA 1.590 58.014 56.400 0.040 0.000 0.816 533 E CB 0.075 29.783 29.700 0.013 0.000 0.762 533 E HN 0.104 nan 8.360 nan 0.000 0.451 534 D N 0.680 121.129 120.400 0.082 0.000 2.149 534 D HA -0.186 4.459 4.640 0.008 0.000 0.198 534 D C 1.674 178.022 176.300 0.080 0.000 0.990 534 D CA 1.101 55.148 54.000 0.078 0.000 0.839 534 D CB -0.467 40.362 40.800 0.048 0.000 0.948 534 D HN 0.329 nan 8.370 nan 0.000 0.460 535 D N -0.461 119.981 120.400 0.071 0.000 2.117 535 D HA -0.134 4.511 4.640 0.008 0.000 0.198 535 D C 2.004 178.338 176.300 0.057 0.000 0.982 535 D CA 0.314 54.339 54.000 0.042 0.000 0.828 535 D CB -0.010 40.798 40.800 0.014 0.000 0.967 535 D HN 0.113 nan 8.370 nan 0.000 0.464 536 F N 2.269 122.190 119.950 -0.049 0.000 2.095 536 F HA -0.227 4.305 4.527 0.009 0.000 0.298 536 F C 2.007 177.806 175.800 -0.002 0.000 1.104 536 F CA 1.462 59.438 58.000 -0.040 0.000 1.232 536 F CB -0.476 38.501 39.000 -0.040 0.000 0.987 536 F HN -0.106 nan 8.300 nan 0.000 0.475 537 N N 0.616 119.438 118.700 0.203 0.000 2.223 537 N HA -0.198 4.546 4.740 0.008 0.000 0.185 537 N C 2.030 177.540 175.510 0.001 0.000 1.016 537 N CA 1.252 54.353 53.050 0.085 0.000 0.863 537 N CB -0.550 38.026 38.487 0.148 0.000 0.983 537 N HN 0.447 nan 8.380 nan 0.000 0.429 538 R N 1.002 121.505 120.500 0.006 0.000 2.082 538 R HA -0.065 4.280 4.340 0.008 0.000 0.228 538 R C 1.900 178.190 176.300 -0.017 0.000 1.140 538 R CA 1.487 57.588 56.100 0.002 0.000 0.920 538 R CB -0.499 29.805 30.300 0.005 0.000 0.828 538 R HN -0.079 nan 8.270 nan 0.000 0.430 539 V N 0.827 120.710 119.914 -0.053 0.000 2.370 539 V HA -0.387 3.737 4.120 0.008 0.000 0.252 539 V C 2.649 178.730 176.094 -0.021 0.000 1.068 539 V CA 1.965 64.234 62.300 -0.052 0.000 1.061 539 V CB -0.684 31.067 31.823 -0.119 0.000 0.656 539 V HN 0.582 nan 8.190 nan 0.000 0.455 540 c N -0.308 118.211 118.600 -0.135 0.000 2.453 540 c HA -0.131 4.443 4.570 0.008 0.000 0.277 540 c C 2.571 176.694 174.090 0.055 0.000 1.262 540 c CA 0.960 57.233 56.329 -0.093 0.000 1.718 540 c CB -1.056 41.260 42.510 -0.323 0.000 2.031 540 c HN 0.607 nan 8.230 nan 0.000 0.480 541 D N 0.828 121.244 120.400 0.027 0.000 2.154 541 D HA -0.165 4.480 4.640 0.008 0.000 0.190 541 D C 1.953 178.302 176.300 0.081 0.000 1.003 541 D CA 1.579 55.610 54.000 0.052 0.000 0.849 541 D CB -0.532 40.289 40.800 0.035 0.000 0.942 541 D HN 0.677 nan 8.370 nan 0.000 0.446 542 E N -0.828 119.432 120.200 0.100 0.000 2.427 542 E HA -0.092 4.263 4.350 0.008 0.000 0.196 542 E C 1.917 178.653 176.600 0.228 0.000 1.028 542 E CA 0.055 56.532 56.400 0.128 0.000 0.864 542 E CB -0.093 29.670 29.700 0.104 0.000 0.813 542 E HN 0.520 nan 8.360 nan 0.000 0.514 543 W N 1.858 123.204 121.300 0.076 0.000 2.588 543 W HA 0.095 4.759 4.660 0.007 0.000 0.277 543 W C 1.644 178.311 176.519 0.246 0.000 1.221 543 W CA 0.234 57.669 57.345 0.150 0.000 1.355 543 W CB 0.172 29.666 29.460 0.057 0.000 1.083 543 W HN -0.092 nan 8.180 nan 0.000 0.581 544 R N 0.473 120.999 120.500 0.043 0.000 2.090 544 R HA -0.067 4.278 4.340 0.008 0.000 0.228 544 R C 2.445 178.719 176.300 -0.044 0.000 1.110 544 R CA 1.405 57.494 56.100 -0.018 0.000 0.973 544 R CB -0.680 29.667 30.300 0.078 0.000 0.869 544 R HN 0.103 nan 8.270 nan 0.000 0.440 545 A N 0.325 123.141 122.820 -0.006 0.000 1.930 545 A HA -0.208 4.116 4.320 0.008 0.000 0.217 545 A C 1.938 179.487 177.584 -0.057 0.000 1.175 545 A CA 1.080 53.107 52.037 -0.017 0.000 0.627 545 A CB -0.573 18.439 19.000 0.019 0.000 0.815 545 A HN 0.468 nan 8.150 nan 0.000 0.443 546 Y N -1.304 118.891 120.300 -0.174 0.000 2.220 546 Y HA -0.191 4.364 4.550 0.008 0.000 0.291 546 Y C 2.248 177.947 175.900 -0.336 0.000 1.129 546 Y CA 1.424 59.392 58.100 -0.221 0.000 1.161 546 Y CB -0.504 37.846 38.460 -0.184 0.000 0.997 546 Y HN 0.521 nan 8.280 nan 0.000 0.522 547 W N 3.189 124.020 121.300 -0.781 0.000 2.305 547 W HA -0.204 4.463 4.660 0.012 0.000 0.308 547 W C -0.892 175.321 176.519 -0.510 0.000 1.226 547 W CA 1.931 58.815 57.345 -0.769 0.000 1.253 547 W CB -1.359 27.669 29.460 -0.720 0.000 1.146 547 W HN 0.207 nan 8.180 nan 0.000 0.507 548 P HA -0.109 nan 4.420 nan 0.000 0.228 548 P C 1.160 178.124 177.300 -0.560 0.000 1.151 548 P CA 2.227 65.031 63.100 -0.494 0.000 0.770 548 P CB -0.472 31.084 31.700 -0.240 0.000 0.786 549 T N -5.996 108.125 114.554 -0.721 0.000 3.054 549 T HA 0.072 4.427 4.350 0.008 0.000 0.255 549 T C 0.707 174.950 174.700 -0.762 0.000 1.035 549 T CA -0.458 61.267 62.100 -0.624 0.000 0.941 549 T CB -0.758 67.794 68.868 -0.526 0.000 1.026 549 T HN 0.008 nan 8.240 nan 0.000 0.533 550 N N 3.215 121.299 118.700 -1.026 0.000 2.440 550 N HA 0.065 4.809 4.740 0.008 0.000 0.265 550 N C -1.196 173.987 175.510 -0.545 0.000 1.239 550 N CA -1.047 51.554 53.050 -0.748 0.000 0.909 550 N CB 1.351 39.327 38.487 -0.852 0.000 1.066 550 N HN 0.168 nan 8.380 nan 0.000 0.474 551 P HA -0.050 nan 4.420 nan 0.000 0.222 551 P C -0.577 176.420 177.300 -0.506 0.000 1.153 551 P CA 1.107 63.888 63.100 -0.532 0.000 0.798 551 P CB 0.166 31.509 31.700 -0.595 0.000 0.796 552 Y N 1.239 121.548 120.300 0.016 0.000 2.403 552 Y HA 0.479 5.030 4.550 0.001 0.000 0.323 552 Y C -1.736 174.250 175.900 0.142 0.000 1.226 552 Y CA -3.500 54.658 58.100 0.097 0.000 1.235 552 Y CB -0.739 37.831 38.460 0.182 0.000 1.248 552 Y HN -0.101 nan 8.280 nan 0.000 0.489 553 P HA 0.155 nan 4.420 nan 0.000 0.281 553 P C -0.951 176.649 177.300 0.500 0.000 1.249 553 P CA -0.958 62.360 63.100 0.363 0.000 0.810 553 P CB 0.986 32.835 31.700 0.248 0.000 1.008 554 K N 2.669 123.432 120.400 0.604 0.000 2.447 554 K HA 0.071 4.395 4.320 0.008 0.000 0.281 554 K C 0.660 177.373 176.600 0.189 0.000 1.031 554 K CA 0.034 56.543 56.287 0.371 0.000 1.019 554 K CB -0.213 32.313 32.500 0.044 0.000 0.918 554 K HN 0.532 nan 8.250 nan 0.000 0.476 555 I N 0.115 120.773 120.570 0.147 0.000 4.025 555 I HA 0.249 4.424 4.170 0.008 0.000 0.336 555 I C -0.360 175.782 176.117 0.043 0.000 1.390 555 I CA -0.598 60.764 61.300 0.104 0.000 1.099 555 I CB 0.084 38.171 38.000 0.145 0.000 1.049 555 I HN 0.563 nan 8.210 nan 0.000 0.394 556 D N 0.303 120.692 120.400 -0.019 0.000 2.838 556 D HA 0.112 4.756 4.640 0.008 0.000 0.334 556 D C 0.841 177.066 176.300 -0.126 0.000 1.315 556 D CA 0.309 54.293 54.000 -0.027 0.000 0.917 556 D CB 0.970 41.793 40.800 0.038 0.000 1.435 556 D HN -0.058 nan 8.370 nan 0.000 0.517 557 S N -0.999 114.643 115.700 -0.098 0.000 2.380 557 S HA 0.070 4.545 4.470 0.008 0.000 0.229 557 S C 1.823 176.229 174.600 -0.324 0.000 1.043 557 S CA 2.315 60.415 58.200 -0.166 0.000 1.038 557 S CB -0.843 62.289 63.200 -0.113 0.000 0.872 557 S HN 1.808 nan 8.310 nan 0.000 0.456 558 G N 0.087 108.677 108.800 -0.350 0.000 2.255 558 G HA2 -0.091 3.874 3.960 0.008 0.000 0.196 558 G HA3 -0.091 3.874 3.960 0.008 0.000 0.196 558 G C -0.106 174.771 174.900 -0.039 0.000 0.998 558 G CA 0.003 44.761 45.100 -0.571 0.000 0.656 558 G HN 0.535 nan 8.290 nan 0.000 0.490 559 L N 0.000 121.195 121.223 -0.047 0.000 2.949 559 L HA 0.000 4.345 4.340 0.008 0.000 0.249 559 L CA 0.000 54.856 54.840 0.027 0.000 0.813 559 L CB 0.000 41.971 42.059 -0.147 0.000 0.961 559 L HN 0.000 nan 8.230 nan 0.000 0.502