REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2ih8_1_A DATA FIRST_RESID 1 DATA SEQUENCE EPTcNTPSNR AcWSDGFDIN TDYEVSTPDT GVTQSYVFNL TEVDNWMGPD DATA SEQUENCE GVVKEKVMLI NGNIMGPNIV ANWGDTVEVT VINNLVTNGT SIHWHGIHQK DATA SEQUENCE DTNLHDGANG VTEcPIPPKG GQRTYRWRAR QYGTSWYHSH FSAQYGNGVV DATA SEQUENCE GTIQINGPAS LPYDIDLGVF PITDYYYRAA DDLVHFTQNN APPFSDNVLI DATA SEQUENCE NGTAVNPNTG EGQYANVTLT PGKRHRLRIL NTSTENHFQV SLVNHTMTVI DATA SEQUENCE AADMVPVNAM TVDSLFLAVG QRYDVVIDAS RAPDNYWFNV TFGGQAAcGG DATA SEQUENCE SLNPHPAAIF HYAGAPGGLP TDEGTPPVDH QcLDTLDVRP VVPRSVPVNS DATA SEQUENCE FVKRPDNTLP VALDLTGTPL FVWKVNGSDI NVDWGKPIID YILTGNTSYP DATA SEQUENCE VSDNIVQVDA VDQWTYWLIE NDPEGPFSLP HPMHLHGHDF LVLGRSPDVP DATA SEQUENCE AASQQRFVFD PAVDLARLNG DNPPRRDTTM LPAGGWLLLA FRTDNPGAWL DATA SEQUENCE FHCHIAWHVS GGLSVDFLER PADLRQRISQ EDEDDFNRVc DEWRAYWPTN DATA SEQUENCE PYPKIDSGL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.352 176.600 -0.414 0.000 1.382 1 E CA 0.000 56.332 56.400 -0.113 0.000 0.976 1 E CB 0.000 29.640 29.700 -0.100 0.000 0.812 2 P HA 0.284 nan 4.420 nan 0.000 0.277 2 P C 0.008 176.980 177.300 -0.546 0.000 1.240 2 P CA -0.297 62.122 63.100 -1.135 0.000 0.798 2 P CB 1.551 32.396 31.700 -1.426 0.000 0.979 3 T N -3.532 110.759 114.554 -0.438 0.000 2.993 3 T HA 0.086 4.435 4.350 -0.001 0.000 0.260 3 T C 0.998 175.598 174.700 -0.166 0.000 0.939 3 T CA 0.325 62.285 62.100 -0.233 0.000 0.886 3 T CB -0.823 67.950 68.868 -0.158 0.000 1.209 3 T HN 0.601 nan 8.240 nan 0.000 0.518 4 c N 0.380 118.879 118.600 -0.170 0.000 3.722 4 c HA 0.484 5.053 4.570 -0.001 0.000 0.279 4 c C 0.300 174.357 174.090 -0.055 0.000 1.819 4 c CA -1.286 54.993 56.329 -0.084 0.000 1.744 4 c CB -1.672 40.818 42.510 -0.033 0.000 3.247 4 c HN 0.476 nan 8.230 nan 0.000 0.549 5 N N 3.219 121.864 118.700 -0.092 0.000 2.439 5 N HA 0.322 5.061 4.740 -0.001 0.000 0.243 5 N C -0.235 175.245 175.510 -0.050 0.000 1.088 5 N CA 0.831 53.877 53.050 -0.007 0.000 0.940 5 N CB 0.975 39.516 38.487 0.091 0.000 1.180 5 N HN 0.778 nan 8.380 nan 0.000 0.505 6 T N 0.922 115.441 114.554 -0.060 0.000 2.930 6 T HA 0.412 4.761 4.350 -0.001 0.000 0.290 6 T C -2.095 172.526 174.700 -0.131 0.000 1.052 6 T CA -1.730 60.321 62.100 -0.082 0.000 1.017 6 T CB 1.983 70.814 68.868 -0.061 0.000 1.137 6 T HN 0.062 nan 8.240 nan 0.000 0.511 7 P HA -0.125 nan 4.420 nan 0.000 0.216 7 P C 1.659 178.873 177.300 -0.142 0.000 1.150 7 P CA 1.436 64.430 63.100 -0.176 0.000 0.843 7 P CB 0.001 31.635 31.700 -0.111 0.000 0.787 8 S N -3.317 112.330 115.700 -0.087 0.000 2.501 8 S HA 0.062 4.531 4.470 -0.001 0.000 0.220 8 S C 1.003 175.576 174.600 -0.044 0.000 0.997 8 S CA 0.216 58.383 58.200 -0.054 0.000 0.919 8 S CB -0.518 62.661 63.200 -0.035 0.000 0.778 8 S HN -0.013 nan 8.310 nan 0.000 0.523 9 N N 0.989 119.657 118.700 -0.053 0.000 2.790 9 N HA 0.341 5.080 4.740 -0.001 0.000 0.256 9 N C 0.197 175.690 175.510 -0.029 0.000 1.409 9 N CA -0.399 52.636 53.050 -0.025 0.000 0.799 9 N CB 0.584 39.067 38.487 -0.007 0.000 1.170 9 N HN 0.007 nan 8.380 nan 0.000 0.507 10 R N 0.637 121.105 120.500 -0.054 0.000 2.276 10 R HA 0.212 4.551 4.340 -0.001 0.000 0.196 10 R C 1.325 177.657 176.300 0.054 0.000 0.961 10 R CA 0.425 56.492 56.100 -0.054 0.000 1.024 10 R CB -0.137 30.050 30.300 -0.188 0.000 0.940 10 R HN 0.466 nan 8.270 nan 0.000 0.480 11 A N 0.437 123.295 122.820 0.063 0.000 2.015 11 A HA -0.081 4.239 4.320 -0.001 0.000 0.219 11 A C 1.228 178.892 177.584 0.135 0.000 1.163 11 A CA 0.489 52.583 52.037 0.094 0.000 0.646 11 A CB -0.208 18.841 19.000 0.081 0.000 0.806 11 A HN 0.328 nan 8.150 nan 0.000 0.448 12 c N -1.427 117.255 118.600 0.136 0.000 2.466 12 c HA 0.495 5.065 4.570 -0.001 0.000 0.379 12 c C 1.048 175.316 174.090 0.297 0.000 1.251 12 c CA -0.594 55.840 56.329 0.175 0.000 2.263 12 c CB 0.238 42.806 42.510 0.096 0.000 2.511 12 c HN 0.693 nan 8.230 nan 0.000 0.573 13 W N 2.348 123.704 121.300 0.094 0.000 4.366 13 W HA 0.276 4.935 4.660 -0.001 0.000 0.201 13 W C 0.379 176.957 176.519 0.099 0.000 0.994 13 W CA 0.619 58.030 57.345 0.109 0.000 2.324 13 W CB -0.422 29.166 29.460 0.214 0.000 1.011 13 W HN 0.779 nan 8.180 nan 0.000 0.846 14 S N -0.117 115.706 115.700 0.205 0.000 2.688 14 S HA 0.241 4.710 4.470 -0.001 0.000 0.275 14 S C -1.546 173.150 174.600 0.160 0.000 1.175 14 S CA -0.672 57.570 58.200 0.070 0.000 0.818 14 S CB 2.078 65.292 63.200 0.023 0.000 1.157 14 S HN 0.036 nan 8.310 nan 0.000 0.482 15 D N 0.217 120.675 120.400 0.097 0.000 2.389 15 D HA 0.453 5.092 4.640 -0.001 0.000 0.263 15 D C 1.432 177.712 176.300 -0.034 0.000 1.255 15 D CA 1.927 55.950 54.000 0.039 0.000 0.914 15 D CB -0.295 40.514 40.800 0.015 0.000 1.116 15 D HN 1.246 nan 8.370 nan 0.000 0.502 16 G N 2.937 111.645 108.800 -0.153 0.000 2.176 16 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.253 16 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.253 16 G C 0.025 174.458 174.900 -0.777 0.000 0.979 16 G CA -0.140 44.684 45.100 -0.459 0.000 0.641 16 G HN 0.438 nan 8.290 nan 0.000 0.530 17 F N 1.842 121.848 119.950 0.093 0.000 2.539 17 F HA 0.607 5.133 4.527 -0.002 0.000 0.328 17 F C 0.045 176.053 175.800 0.348 0.000 1.148 17 F CA -0.618 57.490 58.000 0.180 0.000 0.940 17 F CB 1.967 40.945 39.000 -0.036 0.000 1.194 17 F HN 0.278 nan 8.300 nan 0.000 0.438 18 D N 1.099 121.806 120.400 0.510 0.000 2.895 18 D HA 0.272 4.911 4.640 -0.001 0.000 0.320 18 D C 0.490 176.975 176.300 0.308 0.000 1.249 18 D CA -0.621 53.602 54.000 0.372 0.000 0.997 18 D CB 0.481 41.418 40.800 0.228 0.000 1.430 18 D HN 0.211 nan 8.370 nan 0.000 0.558 19 I N -0.059 120.630 120.570 0.197 0.000 2.614 19 I HA -0.015 4.154 4.170 -0.001 0.000 0.258 19 I C 0.756 177.015 176.117 0.237 0.000 1.189 19 I CA 1.294 62.707 61.300 0.188 0.000 1.462 19 I CB -0.834 37.252 38.000 0.144 0.000 1.092 19 I HN 0.405 nan 8.210 nan 0.000 0.442 20 N N -1.281 117.547 118.700 0.214 0.000 2.353 20 N HA 0.039 4.778 4.740 -0.001 0.000 0.185 20 N C 0.194 175.833 175.510 0.216 0.000 1.098 20 N CA 0.126 53.289 53.050 0.188 0.000 0.872 20 N CB 0.111 38.677 38.487 0.133 0.000 0.970 20 N HN 0.181 nan 8.380 nan 0.000 0.467 21 T N 0.949 115.686 114.554 0.305 0.000 2.916 21 T HA -0.059 4.290 4.350 -0.001 0.000 0.303 21 T C -0.149 174.774 174.700 0.371 0.000 1.025 21 T CA 0.066 62.378 62.100 0.353 0.000 1.142 21 T CB 0.694 69.907 68.868 0.575 0.000 0.947 21 T HN 0.030 nan 8.240 nan 0.000 0.544 22 D N 2.533 123.070 120.400 0.229 0.000 2.383 22 D HA 0.035 4.674 4.640 -0.001 0.000 0.245 22 D C 1.086 177.485 176.300 0.164 0.000 1.263 22 D CA -0.576 53.465 54.000 0.069 0.000 0.936 22 D CB 0.122 40.934 40.800 0.021 0.000 1.053 22 D HN 0.671 nan 8.370 nan 0.000 0.507 23 Y N 1.770 122.277 120.300 0.346 0.000 2.403 23 Y HA -0.014 4.535 4.550 -0.002 0.000 0.291 23 Y C 1.563 177.645 175.900 0.303 0.000 1.143 23 Y CA 0.660 59.032 58.100 0.454 0.000 1.257 23 Y CB -0.452 38.152 38.460 0.240 0.000 0.984 23 Y HN 0.292 nan 8.280 nan 0.000 0.550 24 E N 0.517 120.654 120.200 -0.106 0.000 2.274 24 E HA -0.066 4.283 4.350 -0.001 0.000 0.194 24 E C 1.736 178.386 176.600 0.084 0.000 0.996 24 E CA 1.453 57.865 56.400 0.020 0.000 0.840 24 E CB 0.102 29.733 29.700 -0.114 0.000 0.772 24 E HN 0.622 nan 8.360 nan 0.000 0.491 25 V N -3.832 116.140 119.914 0.096 0.000 3.548 25 V HA 0.262 4.381 4.120 -0.001 0.000 0.279 25 V C 0.398 176.584 176.094 0.154 0.000 1.446 25 V CA -0.441 61.921 62.300 0.103 0.000 1.023 25 V CB 1.387 33.246 31.823 0.060 0.000 0.820 25 V HN -0.052 nan 8.190 nan 0.000 0.438 26 S N 0.614 116.459 115.700 0.243 0.000 2.561 26 S HA 0.761 5.230 4.470 -0.001 0.000 0.303 26 S C -0.507 174.321 174.600 0.380 0.000 1.110 26 S CA -0.024 58.363 58.200 0.312 0.000 1.034 26 S CB 1.639 65.033 63.200 0.324 0.000 1.010 26 S HN 0.580 nan 8.310 nan 0.000 0.482 27 T N 5.981 120.649 114.554 0.190 0.000 2.886 27 T HA 0.530 4.879 4.350 -0.001 0.000 0.292 27 T C -2.916 171.457 174.700 -0.545 0.000 1.012 27 T CA -1.083 60.918 62.100 -0.164 0.000 0.982 27 T CB 1.731 70.599 68.868 -0.001 0.000 1.018 27 T HN 0.336 nan 8.240 nan 0.000 0.451 28 P HA 0.199 nan 4.420 nan 0.000 0.271 28 P C -0.648 176.378 177.300 -0.456 0.000 1.216 28 P CA -0.288 62.120 63.100 -1.154 0.000 0.771 28 P CB 0.437 31.390 31.700 -1.244 0.000 0.864 29 D N 1.939 122.189 120.400 -0.249 0.000 2.500 29 D HA 0.053 4.692 4.640 -0.001 0.000 0.219 29 D C 1.029 177.263 176.300 -0.109 0.000 1.137 29 D CA 0.067 53.992 54.000 -0.125 0.000 0.946 29 D CB 0.379 41.148 40.800 -0.052 0.000 1.022 29 D HN 0.305 nan 8.370 nan 0.000 0.518 30 T N -0.392 114.093 114.554 -0.115 0.000 3.009 30 T HA 0.159 4.508 4.350 -0.001 0.000 0.258 30 T C 1.629 176.292 174.700 -0.062 0.000 1.063 30 T CA 0.779 62.830 62.100 -0.082 0.000 1.139 30 T CB 0.088 68.918 68.868 -0.063 0.000 0.890 30 T HN 0.408 nan 8.240 nan 0.000 0.471 31 G N 0.804 109.567 108.800 -0.063 0.000 2.162 31 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.260 31 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.260 31 G C 0.090 174.954 174.900 -0.060 0.000 0.976 31 G CA 0.173 45.239 45.100 -0.056 0.000 0.655 31 G HN 0.774 nan 8.290 nan 0.000 0.533 32 V N 0.852 120.729 119.914 -0.062 0.000 2.539 32 V HA 0.697 4.816 4.120 -0.001 0.000 0.292 32 V C 0.512 176.554 176.094 -0.087 0.000 1.045 32 V CA 0.122 62.383 62.300 -0.065 0.000 0.945 32 V CB 1.788 33.582 31.823 -0.048 0.000 0.993 32 V HN 0.262 nan 8.190 nan 0.000 0.464 33 T N 4.376 118.867 114.554 -0.104 0.000 2.812 33 T HA 0.389 4.738 4.350 -0.001 0.000 0.282 33 T C -0.694 173.910 174.700 -0.161 0.000 0.990 33 T CA -0.554 61.460 62.100 -0.144 0.000 0.960 33 T CB 1.365 70.145 68.868 -0.145 0.000 0.948 33 T HN 0.533 nan 8.240 nan 0.000 0.438 34 Q N 2.210 121.896 119.800 -0.190 0.000 2.372 34 Q HA 0.485 4.824 4.340 -0.001 0.000 0.259 34 Q C -0.546 175.254 176.000 -0.334 0.000 0.993 34 Q CA -0.306 55.357 55.803 -0.232 0.000 0.854 34 Q CB 1.765 30.439 28.738 -0.108 0.000 1.231 34 Q HN 0.567 nan 8.270 nan 0.000 0.462 35 S N 2.697 118.132 115.700 -0.442 0.000 2.525 35 S HA 0.721 5.190 4.470 -0.001 0.000 0.290 35 S C -0.876 173.335 174.600 -0.647 0.000 1.152 35 S CA -0.393 57.564 58.200 -0.405 0.000 1.072 35 S CB 0.642 63.692 63.200 -0.250 0.000 1.027 35 S HN 0.357 nan 8.310 nan 0.000 0.500 36 Y N -0.092 120.135 120.300 -0.122 0.000 2.588 36 Y HA 0.588 5.138 4.550 -0.001 0.000 0.343 36 Y C -0.553 175.308 175.900 -0.066 0.000 1.065 36 Y CA -1.048 57.029 58.100 -0.038 0.000 1.038 36 Y CB 1.533 40.004 38.460 0.019 0.000 1.297 36 Y HN 0.313 nan 8.280 nan 0.000 0.467 37 V N 3.151 123.210 119.914 0.242 0.000 2.443 37 V HA 0.373 4.492 4.120 -0.001 0.000 0.293 37 V C -1.260 175.093 176.094 0.432 0.000 1.021 37 V CA -0.824 61.593 62.300 0.195 0.000 0.848 37 V CB 1.120 33.020 31.823 0.129 0.000 0.998 37 V HN 0.453 nan 8.190 nan 0.000 0.424 38 F N 3.791 123.815 119.950 0.123 0.000 2.334 38 F HA 0.455 4.981 4.527 -0.002 0.000 0.367 38 F C 0.515 176.364 175.800 0.082 0.000 1.115 38 F CA -1.442 56.620 58.000 0.104 0.000 1.116 38 F CB 1.030 40.087 39.000 0.096 0.000 1.230 38 F HN 0.449 nan 8.300 nan 0.000 0.484 39 N N 5.198 124.043 118.700 0.241 0.000 2.485 39 N HA 0.274 5.013 4.740 -0.001 0.000 0.243 39 N C -1.094 174.473 175.510 0.095 0.000 0.987 39 N CA -0.263 52.871 53.050 0.140 0.000 0.940 39 N CB 0.533 39.084 38.487 0.106 0.000 1.122 39 N HN 0.456 nan 8.380 nan 0.000 0.509 40 L N 3.047 124.319 121.223 0.082 0.000 2.281 40 L HA 0.376 4.715 4.340 -0.001 0.000 0.285 40 L C 0.642 177.521 176.870 0.015 0.000 1.074 40 L CA -0.450 54.412 54.840 0.038 0.000 0.817 40 L CB 0.558 42.636 42.059 0.032 0.000 1.168 40 L HN 0.510 nan 8.230 nan 0.000 0.434 41 T N -0.720 113.833 114.554 -0.002 0.000 2.908 41 T HA 0.426 4.775 4.350 -0.001 0.000 0.290 41 T C -0.561 174.127 174.700 -0.020 0.000 1.034 41 T CA -0.896 61.202 62.100 -0.003 0.000 1.010 41 T CB 2.629 71.501 68.868 0.007 0.000 1.068 41 T HN 0.543 nan 8.240 nan 0.000 0.481 42 E N 1.314 121.512 120.200 -0.003 0.000 2.081 42 E HA 0.532 4.881 4.350 -0.001 0.000 0.276 42 E C -1.282 175.324 176.600 0.010 0.000 0.950 42 E CA -0.770 55.631 56.400 0.001 0.000 0.776 42 E CB 0.902 30.619 29.700 0.028 0.000 1.094 42 E HN 0.538 nan 8.360 nan 0.000 0.402 43 V N 4.914 124.820 119.914 -0.013 0.000 2.384 43 V HA 0.264 4.383 4.120 -0.001 0.000 0.287 43 V C -0.250 175.888 176.094 0.072 0.000 1.020 43 V CA -0.938 61.379 62.300 0.029 0.000 0.850 43 V CB 1.589 33.415 31.823 0.005 0.000 0.987 43 V HN 0.689 nan 8.190 nan 0.000 0.436 44 D N 3.634 124.093 120.400 0.099 0.000 2.229 44 D HA 0.289 4.928 4.640 -0.001 0.000 0.249 44 D C 0.355 176.743 176.300 0.146 0.000 1.027 44 D CA -0.207 53.859 54.000 0.110 0.000 0.923 44 D CB 0.841 41.691 40.800 0.084 0.000 1.174 44 D HN 0.591 nan 8.370 nan 0.000 0.443 45 N N 0.935 119.722 118.700 0.144 0.000 2.705 45 N HA -0.245 4.495 4.740 -0.001 0.000 0.255 45 N C -0.880 174.744 175.510 0.190 0.000 1.008 45 N CA 0.393 53.523 53.050 0.133 0.000 0.742 45 N CB -1.144 37.391 38.487 0.079 0.000 0.906 45 N HN 0.526 nan 8.380 nan 0.000 0.541 46 W N 1.323 122.642 121.300 0.033 0.000 2.316 46 W HA 0.464 5.123 4.660 -0.001 0.000 0.311 46 W C 0.519 177.063 176.519 0.041 0.000 1.217 46 W CA -1.010 56.359 57.345 0.042 0.000 1.199 46 W CB 0.508 30.005 29.460 0.061 0.000 1.202 46 W HN 0.173 nan 8.180 nan 0.000 0.528 47 M N 7.052 126.355 119.600 -0.495 0.000 2.220 47 M HA 0.354 4.833 4.480 -0.001 0.000 0.343 47 M C 0.311 175.954 176.300 -1.095 0.000 1.470 47 M CA 0.087 55.047 55.300 -0.567 0.000 1.161 47 M CB -0.189 32.176 32.600 -0.392 0.000 1.737 47 M HN 0.496 nan 8.290 nan 0.000 0.464 48 G N 5.894 114.287 108.800 -0.679 0.000 2.562 48 G HA2 0.441 4.401 3.960 -0.001 0.000 0.275 48 G HA3 0.441 4.401 3.960 -0.001 0.000 0.275 48 G C -1.769 172.909 174.900 -0.371 0.000 1.196 48 G CA -1.068 43.681 45.100 -0.586 0.000 0.908 48 G HN 0.694 nan 8.290 nan 0.000 0.524 49 P HA -0.079 nan 4.420 nan 0.000 0.222 49 P C 0.572 177.784 177.300 -0.147 0.000 1.147 49 P CA 1.275 64.250 63.100 -0.208 0.000 0.790 49 P CB 0.228 31.804 31.700 -0.205 0.000 0.780 50 D N -1.742 118.611 120.400 -0.078 0.000 2.342 50 D HA 0.150 4.789 4.640 -0.001 0.000 0.221 50 D C 1.427 177.701 176.300 -0.042 0.000 1.101 50 D CA 0.209 54.192 54.000 -0.029 0.000 0.837 50 D CB -0.530 40.315 40.800 0.076 0.000 0.938 50 D HN 0.243 nan 8.370 nan 0.000 0.508 51 G N -0.540 108.206 108.800 -0.090 0.000 2.241 51 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.244 51 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.244 51 G C 0.173 174.990 174.900 -0.139 0.000 0.998 51 G CA 0.161 45.194 45.100 -0.112 0.000 0.621 51 G HN 0.379 nan 8.290 nan 0.000 0.519 52 V N 1.645 121.462 119.914 -0.161 0.000 2.583 52 V HA 0.507 4.627 4.120 -0.001 0.000 0.287 52 V C 0.957 176.914 176.094 -0.228 0.000 1.051 52 V CA -0.533 61.587 62.300 -0.299 0.000 1.010 52 V CB 1.790 33.173 31.823 -0.735 0.000 0.988 52 V HN 0.275 nan 8.190 nan 0.000 0.478 53 V N 6.048 125.844 119.914 -0.198 0.000 2.406 53 V HA 0.267 4.386 4.120 -0.001 0.000 0.272 53 V C 0.457 176.526 176.094 -0.043 0.000 1.043 53 V CA -0.703 61.539 62.300 -0.096 0.000 0.915 53 V CB 0.895 32.676 31.823 -0.071 0.000 0.988 53 V HN 0.765 nan 8.190 nan 0.000 0.466 54 K N 3.747 124.211 120.400 0.106 0.000 2.174 54 K HA 0.247 4.566 4.320 -0.001 0.000 0.275 54 K C 1.125 177.816 176.600 0.152 0.000 1.015 54 K CA -0.387 55.997 56.287 0.162 0.000 0.933 54 K CB 1.932 34.623 32.500 0.320 0.000 1.025 54 K HN 0.734 nan 8.250 nan 0.000 0.463 55 E N 2.336 122.597 120.200 0.102 0.000 2.070 55 E HA -0.193 4.156 4.350 -0.001 0.000 0.197 55 E C -0.124 176.535 176.600 0.098 0.000 1.004 55 E CA 1.595 58.044 56.400 0.082 0.000 0.805 55 E CB 0.380 30.114 29.700 0.056 0.000 0.744 55 E HN 0.394 nan 8.360 nan 0.000 0.451 56 K N -0.490 119.971 120.400 0.101 0.000 2.557 56 K HA 0.308 4.627 4.320 -0.001 0.000 0.261 56 K C -1.452 175.183 176.600 0.058 0.000 0.932 56 K CA -0.566 55.770 56.287 0.081 0.000 0.829 56 K CB 2.149 34.686 32.500 0.061 0.000 1.358 56 K HN 0.021 nan 8.250 nan 0.000 0.430 57 V N -0.159 119.750 119.914 -0.007 0.000 3.078 57 V HA 0.668 4.787 4.120 -0.001 0.000 0.311 57 V C -0.923 175.095 176.094 -0.126 0.000 1.138 57 V CA -1.115 61.116 62.300 -0.116 0.000 1.007 57 V CB 2.060 33.646 31.823 -0.394 0.000 1.045 57 V HN 0.814 nan 8.190 nan 0.000 0.432 58 M N 3.525 123.054 119.600 -0.118 0.000 2.053 58 M HA 0.612 5.092 4.480 -0.001 0.000 0.297 58 M C -1.297 174.934 176.300 -0.114 0.000 0.921 58 M CA -0.123 55.130 55.300 -0.079 0.000 0.918 58 M CB 1.646 34.239 32.600 -0.012 0.000 1.499 58 M HN 0.570 nan 8.290 nan 0.000 0.422 59 L N 3.613 124.750 121.223 -0.143 0.000 2.330 59 L HA 0.697 5.036 4.340 -0.001 0.000 0.271 59 L C -0.497 176.328 176.870 -0.074 0.000 1.013 59 L CA -0.987 53.765 54.840 -0.147 0.000 0.816 59 L CB 2.070 43.996 42.059 -0.221 0.000 1.287 59 L HN 0.616 nan 8.230 nan 0.000 0.435 60 I N 2.482 123.006 120.570 -0.076 0.000 2.321 60 I HA 0.229 4.398 4.170 -0.001 0.000 0.291 60 I C -0.157 175.937 176.117 -0.038 0.000 0.998 60 I CA -0.430 60.828 61.300 -0.070 0.000 1.227 60 I CB 1.033 38.912 38.000 -0.202 0.000 1.368 60 I HN 0.686 nan 8.210 nan 0.000 0.466 61 N N 4.893 123.603 118.700 0.017 0.000 2.708 61 N HA -0.207 4.532 4.740 -0.001 0.000 0.249 61 N C 0.949 176.485 175.510 0.044 0.000 1.097 61 N CA 1.317 54.396 53.050 0.048 0.000 0.710 61 N CB -1.309 37.221 38.487 0.073 0.000 1.032 61 N HN 1.144 nan 8.380 nan 0.000 0.551 62 G N -1.872 106.944 108.800 0.027 0.000 2.155 62 G HA2 -0.360 3.599 3.960 -0.001 0.000 0.257 62 G HA3 -0.360 3.599 3.960 -0.001 0.000 0.257 62 G C 0.027 174.972 174.900 0.076 0.000 0.983 62 G CA 0.613 45.740 45.100 0.046 0.000 0.676 62 G HN 0.576 nan 8.290 nan 0.000 0.528 63 N N -0.944 117.781 118.700 0.043 0.000 2.402 63 N HA 0.513 5.252 4.740 -0.001 0.000 0.294 63 N C 1.323 176.848 175.510 0.024 0.000 1.203 63 N CA -0.366 52.733 53.050 0.083 0.000 0.838 63 N CB 1.408 39.934 38.487 0.066 0.000 1.306 63 N HN 0.026 nan 8.380 nan 0.000 0.510 64 I N -0.130 120.507 120.570 0.113 0.000 2.264 64 I HA -0.119 4.050 4.170 -0.001 0.000 0.248 64 I C 0.243 176.348 176.117 -0.020 0.000 1.111 64 I CA 1.489 62.826 61.300 0.062 0.000 1.382 64 I CB 0.221 38.356 38.000 0.225 0.000 1.060 64 I HN 0.403 nan 8.210 nan 0.000 0.418 65 M N -1.081 118.508 119.600 -0.019 0.000 2.690 65 M HA 0.409 4.888 4.480 -0.001 0.000 0.302 65 M C 0.240 176.500 176.300 -0.067 0.000 1.234 65 M CA -0.524 54.739 55.300 -0.060 0.000 0.853 65 M CB 1.819 34.374 32.600 -0.075 0.000 1.748 65 M HN 0.020 nan 8.290 nan 0.000 0.469 66 G N 0.940 109.677 108.800 -0.105 0.000 2.588 66 G HA2 0.521 4.480 3.960 -0.001 0.000 0.278 66 G HA3 0.521 4.480 3.960 -0.001 0.000 0.278 66 G C -2.676 172.211 174.900 -0.020 0.000 1.307 66 G CA -0.912 44.114 45.100 -0.124 0.000 1.016 66 G HN 0.391 nan 8.290 nan 0.000 0.503 67 P HA 0.089 nan 4.420 nan 0.000 0.272 67 P C -0.776 176.595 177.300 0.118 0.000 1.223 67 P CA -0.533 62.626 63.100 0.098 0.000 0.784 67 P CB 0.725 32.544 31.700 0.198 0.000 0.923 68 N N 2.160 120.921 118.700 0.101 0.000 2.399 68 N HA 0.168 4.907 4.740 -0.001 0.000 0.259 68 N C 0.267 175.814 175.510 0.062 0.000 1.160 68 N CA -0.015 53.094 53.050 0.098 0.000 0.946 68 N CB -0.137 38.400 38.487 0.084 0.000 1.156 68 N HN 0.392 nan 8.380 nan 0.000 0.489 69 I N 2.353 122.940 120.570 0.028 0.000 2.505 69 I HA -0.003 4.166 4.170 -0.001 0.000 0.287 69 I C -0.037 176.144 176.117 0.107 0.000 1.104 69 I CA -0.028 61.179 61.300 -0.155 0.000 1.387 69 I CB 0.329 38.285 38.000 -0.073 0.000 1.404 69 I HN 0.016 nan 8.210 nan 0.000 0.528 70 V N 6.555 126.602 119.914 0.223 0.000 2.531 70 V HA 0.857 4.976 4.120 -0.001 0.000 0.301 70 V C 0.014 176.233 176.094 0.208 0.000 1.034 70 V CA -0.392 62.031 62.300 0.205 0.000 0.865 70 V CB 1.428 33.363 31.823 0.187 0.000 0.995 70 V HN 0.891 nan 8.190 nan 0.000 0.424 71 A N 4.374 127.290 122.820 0.160 0.000 2.581 71 A HA 0.812 5.131 4.320 -0.001 0.000 0.290 71 A C -1.233 176.448 177.584 0.161 0.000 1.119 71 A CA -0.808 51.306 52.037 0.129 0.000 0.670 71 A CB 1.645 20.684 19.000 0.066 0.000 1.280 71 A HN 0.620 nan 8.150 nan 0.000 0.425 72 N N -0.362 118.448 118.700 0.183 0.000 2.477 72 N HA 0.321 5.061 4.740 -0.001 0.000 0.284 72 N C -0.885 174.790 175.510 0.274 0.000 1.182 72 N CA -0.243 52.984 53.050 0.296 0.000 0.949 72 N CB 0.780 39.507 38.487 0.400 0.000 1.204 72 N HN 0.717 nan 8.380 nan 0.000 0.526 73 W N 1.111 122.422 121.300 0.019 0.000 2.397 73 W HA 0.306 4.965 4.660 -0.001 0.000 0.327 73 W C 1.106 177.611 176.519 -0.022 0.000 1.421 73 W CA 0.663 57.964 57.345 -0.073 0.000 1.288 73 W CB -0.792 28.451 29.460 -0.362 0.000 1.312 73 W HN 0.823 nan 8.180 nan 0.000 0.559 74 G N 3.443 112.300 108.800 0.095 0.000 2.213 74 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.226 74 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.226 74 G C 0.203 175.075 174.900 -0.047 0.000 0.992 74 G CA 0.004 45.031 45.100 -0.121 0.000 0.632 74 G HN 0.521 nan 8.290 nan 0.000 0.511 75 D N 0.854 121.259 120.400 0.009 0.000 2.371 75 D HA 0.542 5.181 4.640 -0.001 0.000 0.242 75 D C 0.525 176.778 176.300 -0.079 0.000 1.218 75 D CA 0.721 54.701 54.000 -0.033 0.000 0.945 75 D CB 0.638 41.427 40.800 -0.018 0.000 1.137 75 D HN 0.086 nan 8.370 nan 0.000 0.464 76 T N 0.269 114.737 114.554 -0.144 0.000 2.797 76 T HA 0.448 4.797 4.350 -0.001 0.000 0.279 76 T C -0.332 174.141 174.700 -0.378 0.000 0.991 76 T CA -0.632 61.329 62.100 -0.232 0.000 0.979 76 T CB 1.255 70.011 68.868 -0.188 0.000 0.943 76 T HN -0.043 nan 8.240 nan 0.000 0.444 77 V N 3.365 122.855 119.914 -0.708 0.000 2.435 77 V HA 0.492 4.611 4.120 -0.001 0.000 0.290 77 V C 0.067 175.624 176.094 -0.895 0.000 1.030 77 V CA -0.670 61.085 62.300 -0.908 0.000 0.881 77 V CB 1.548 32.408 31.823 -1.604 0.000 0.983 77 V HN 0.868 nan 8.190 nan 0.000 0.445 78 E N 3.538 123.418 120.200 -0.533 0.000 2.224 78 E HA 0.678 5.027 4.350 -0.001 0.000 0.265 78 E C -1.847 174.579 176.600 -0.290 0.000 0.878 78 E CA -0.442 55.725 56.400 -0.387 0.000 0.759 78 E CB 2.095 31.642 29.700 -0.254 0.000 1.164 78 E HN 0.468 nan 8.360 nan 0.000 0.414 79 V N 3.801 123.548 119.914 -0.279 0.000 2.525 79 V HA 0.307 4.426 4.120 -0.001 0.000 0.299 79 V C -0.386 175.652 176.094 -0.093 0.000 1.034 79 V CA -0.770 61.363 62.300 -0.278 0.000 0.863 79 V CB 2.000 33.473 31.823 -0.582 0.000 0.999 79 V HN 0.742 nan 8.190 nan 0.000 0.423 80 T N 4.725 119.225 114.554 -0.090 0.000 2.728 80 T HA 0.433 4.782 4.350 -0.001 0.000 0.296 80 T C -0.106 174.614 174.700 0.034 0.000 0.940 80 T CA -0.191 61.908 62.100 -0.001 0.000 1.013 80 T CB 1.059 69.927 68.868 0.001 0.000 0.912 80 T HN 0.353 nan 8.240 nan 0.000 0.484 81 V N 6.068 126.054 119.914 0.120 0.000 2.350 81 V HA 0.420 4.540 4.120 -0.001 0.000 0.276 81 V C 0.096 176.270 176.094 0.134 0.000 1.028 81 V CA -0.706 61.709 62.300 0.192 0.000 0.860 81 V CB 0.833 32.852 31.823 0.326 0.000 0.990 81 V HN 0.789 nan 8.190 nan 0.000 0.453 82 I N 4.553 125.201 120.570 0.130 0.000 2.355 82 I HA 0.347 4.516 4.170 -0.001 0.000 0.288 82 I C 0.056 176.212 176.117 0.064 0.000 0.999 82 I CA -0.421 60.925 61.300 0.078 0.000 1.163 82 I CB 1.375 39.416 38.000 0.069 0.000 1.316 82 I HN 0.478 nan 8.210 nan 0.000 0.454 83 N N 6.059 124.773 118.700 0.023 0.000 2.439 83 N HA 0.147 4.886 4.740 -0.001 0.000 0.243 83 N C -0.164 175.328 175.510 -0.030 0.000 1.088 83 N CA 0.065 53.106 53.050 -0.016 0.000 0.940 83 N CB 0.355 38.802 38.487 -0.068 0.000 1.180 83 N HN 0.422 nan 8.380 nan 0.000 0.505 84 N N 3.503 122.195 118.700 -0.013 0.000 2.328 84 N HA 0.163 4.902 4.740 -0.001 0.000 0.247 84 N C -0.184 175.317 175.510 -0.016 0.000 1.165 84 N CA -0.112 52.931 53.050 -0.012 0.000 0.873 84 N CB 0.489 38.981 38.487 0.010 0.000 1.125 84 N HN 0.480 nan 8.380 nan 0.000 0.513 85 L N -0.171 121.030 121.223 -0.036 0.000 2.466 85 L HA 0.187 4.526 4.340 -0.001 0.000 0.257 85 L C 1.884 178.745 176.870 -0.015 0.000 1.189 85 L CA -0.412 54.414 54.840 -0.024 0.000 0.813 85 L CB 0.731 42.762 42.059 -0.047 0.000 1.118 85 L HN -0.158 nan 8.230 nan 0.000 0.471 86 V N -0.431 119.501 119.914 0.030 0.000 2.346 86 V HA -0.161 3.958 4.120 -0.001 0.000 0.244 86 V C 1.958 178.097 176.094 0.074 0.000 1.037 86 V CA 2.273 64.605 62.300 0.052 0.000 1.029 86 V CB -0.561 31.313 31.823 0.085 0.000 0.663 86 V HN 1.093 nan 8.190 nan 0.000 0.454 87 T N -4.105 110.533 114.554 0.141 0.000 3.019 87 T HA 0.140 4.489 4.350 -0.001 0.000 0.247 87 T C 0.754 175.608 174.700 0.258 0.000 0.992 87 T CA -0.162 62.089 62.100 0.251 0.000 1.036 87 T CB -0.431 68.666 68.868 0.381 0.000 1.063 87 T HN 0.358 nan 8.240 nan 0.000 0.476 88 N N 1.761 120.553 118.700 0.153 0.000 2.454 88 N HA 0.398 5.137 4.740 -0.001 0.000 0.254 88 N C 0.346 175.601 175.510 -0.426 0.000 1.228 88 N CA 0.016 53.020 53.050 -0.077 0.000 0.900 88 N CB 0.751 39.145 38.487 -0.156 0.000 1.089 88 N HN 0.537 nan 8.380 nan 0.000 0.449 89 G N 0.029 108.222 108.800 -1.011 0.000 2.543 89 G HA2 0.432 4.391 3.960 -0.001 0.000 0.290 89 G HA3 0.432 4.391 3.960 -0.001 0.000 0.290 89 G C -0.469 173.618 174.900 -1.355 0.000 1.310 89 G CA -0.071 44.466 45.100 -0.938 0.000 1.025 89 G HN 0.436 nan 8.290 nan 0.000 0.502 90 T N -1.802 112.302 114.554 -0.750 0.000 2.802 90 T HA 0.593 4.943 4.350 -0.001 0.000 0.311 90 T C -1.302 173.300 174.700 -0.163 0.000 1.405 90 T CA 0.042 61.904 62.100 -0.397 0.000 1.016 90 T CB 1.391 70.137 68.868 -0.204 0.000 1.352 90 T HN 1.511 nan 8.240 nan 0.000 0.498 91 S N 2.722 118.418 115.700 -0.006 0.000 2.616 91 S HA 0.517 4.986 4.470 -0.001 0.000 0.276 91 S C -1.286 173.322 174.600 0.013 0.000 1.159 91 S CA -0.948 57.309 58.200 0.095 0.000 1.000 91 S CB 0.554 63.805 63.200 0.086 0.000 1.117 91 S HN 0.622 nan 8.310 nan 0.000 0.464 92 I N 4.306 124.791 120.570 -0.142 0.000 2.312 92 I HA 0.345 4.514 4.170 -0.001 0.000 0.291 92 I C 0.446 175.937 176.117 -1.044 0.000 1.031 92 I CA -0.126 60.811 61.300 -0.604 0.000 1.293 92 I CB 0.056 37.609 38.000 -0.746 0.000 1.403 92 I HN 0.922 nan 8.210 nan 0.000 0.484 93 H N 6.545 125.016 119.070 -0.999 0.000 2.473 93 H HA 0.364 4.920 4.556 -0.001 0.000 0.327 93 H C -1.379 173.198 175.328 -1.252 0.000 1.105 93 H CA -0.604 54.866 56.048 -0.964 0.000 1.280 93 H CB 0.744 30.158 29.762 -0.580 0.000 1.450 93 H HN 0.415 nan 8.280 nan 0.000 0.492 94 W N 5.234 125.958 121.300 -0.961 0.000 2.253 94 W HA 0.199 4.858 4.660 -0.001 0.000 0.348 94 W C -0.073 175.781 176.519 -1.108 0.000 0.920 94 W CA -0.894 55.925 57.345 -0.878 0.000 1.518 94 W CB -0.410 28.501 29.460 -0.915 0.000 1.446 94 W HN 0.682 nan 8.180 nan 0.000 0.361 95 H N 1.694 120.051 119.070 -1.188 0.000 3.046 95 H HA 0.315 4.871 4.556 -0.001 0.000 0.303 95 H C 1.469 176.547 175.328 -0.416 0.000 1.002 95 H CA 1.705 57.238 56.048 -0.858 0.000 1.460 95 H CB 0.426 29.517 29.762 -1.119 0.000 1.493 95 H HN 0.788 nan 8.280 nan 0.000 0.559 96 G N 4.643 113.390 108.800 -0.089 0.000 2.232 96 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.226 96 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.226 96 G C -0.053 174.718 174.900 -0.215 0.000 0.996 96 G CA 0.040 45.120 45.100 -0.033 0.000 0.626 96 G HN 0.548 nan 8.290 nan 0.000 0.509 97 I N 2.767 123.149 120.570 -0.313 0.000 2.337 97 I HA 0.330 4.500 4.170 -0.001 0.000 0.291 97 I C 1.488 177.476 176.117 -0.215 0.000 1.046 97 I CA -0.646 60.396 61.300 -0.429 0.000 1.324 97 I CB 0.660 38.172 38.000 -0.813 0.000 1.409 97 I HN 0.043 nan 8.210 nan 0.000 0.494 98 H N 5.153 124.078 119.070 -0.241 0.000 2.489 98 H HA -0.073 4.482 4.556 -0.001 0.000 0.293 98 H C 0.445 175.614 175.328 -0.266 0.000 1.066 98 H CA 0.490 56.357 56.048 -0.302 0.000 1.305 98 H CB 0.076 29.681 29.762 -0.261 0.000 1.386 98 H HN 0.441 nan 8.280 nan 0.000 0.551 99 Q N -0.054 119.764 119.800 0.030 0.000 2.451 99 Q HA -0.210 4.130 4.340 -0.001 0.000 0.305 99 Q C -0.013 176.116 176.000 0.214 0.000 1.345 99 Q CA 0.477 56.386 55.803 0.177 0.000 0.854 99 Q CB -1.649 27.317 28.738 0.380 0.000 1.162 99 Q HN 0.369 nan 8.270 nan 0.000 0.440 100 K N 2.126 122.599 120.400 0.122 0.000 2.366 100 K HA -0.036 4.283 4.320 -0.001 0.000 0.279 100 K C 0.185 176.872 176.600 0.145 0.000 1.098 100 K CA 0.732 57.082 56.287 0.106 0.000 1.087 100 K CB 0.048 32.601 32.500 0.087 0.000 0.901 100 K HN 0.230 nan 8.250 nan 0.000 0.463 101 D N 1.959 122.469 120.400 0.184 0.000 3.076 101 D HA -0.166 4.473 4.640 -0.001 0.000 0.218 101 D C -0.496 175.908 176.300 0.173 0.000 1.156 101 D CA 1.737 55.836 54.000 0.165 0.000 0.921 101 D CB -1.360 39.507 40.800 0.112 0.000 1.113 101 D HN 0.698 nan 8.370 nan 0.000 0.418 102 T N -2.728 111.966 114.554 0.234 0.000 3.483 102 T HA 0.190 4.539 4.350 -0.001 0.000 0.258 102 T C 0.906 175.808 174.700 0.338 0.000 1.013 102 T CA -0.297 61.964 62.100 0.269 0.000 1.078 102 T CB 0.293 69.288 68.868 0.213 0.000 1.111 102 T HN 0.149 nan 8.240 nan 0.000 0.538 103 N N 0.752 119.590 118.700 0.230 0.000 2.137 103 N HA -0.121 4.618 4.740 -0.001 0.000 0.190 103 N C 1.128 176.658 175.510 0.033 0.000 1.017 103 N CA 1.049 54.106 53.050 0.011 0.000 0.859 103 N CB -0.108 38.175 38.487 -0.340 0.000 1.002 103 N HN 0.350 nan 8.380 nan 0.000 0.428 104 L N 0.435 121.699 121.223 0.069 0.000 2.633 104 L HA -0.056 4.283 4.340 -0.001 0.000 0.235 104 L C 1.367 178.239 176.870 0.004 0.000 1.163 104 L CA 0.990 55.836 54.840 0.011 0.000 0.859 104 L CB -0.433 41.591 42.059 -0.058 0.000 0.973 104 L HN 0.302 nan 8.230 nan 0.000 0.451 105 H N -2.591 116.645 119.070 0.276 0.000 2.594 105 H HA 0.089 4.644 4.556 -0.001 0.000 0.279 105 H C 0.993 176.688 175.328 0.612 0.000 1.042 105 H CA 0.118 56.453 56.048 0.478 0.000 1.177 105 H CB 0.499 30.512 29.762 0.417 0.000 1.524 105 H HN 0.268 nan 8.280 nan 0.000 0.537 106 D N 0.687 121.400 120.400 0.522 0.000 2.219 106 D HA -0.069 4.570 4.640 -0.001 0.000 0.205 106 D C 1.753 178.329 176.300 0.460 0.000 0.970 106 D CA 1.281 55.591 54.000 0.517 0.000 0.851 106 D CB 0.051 41.125 40.800 0.457 0.000 0.943 106 D HN 0.543 nan 8.370 nan 0.000 0.488 107 G N -0.768 108.286 108.800 0.422 0.000 2.147 107 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.244 107 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.244 107 G C 0.256 175.250 174.900 0.156 0.000 1.005 107 G CA 0.318 45.589 45.100 0.285 0.000 0.713 107 G HN 0.695 nan 8.290 nan 0.000 0.515 108 A N 0.962 123.840 122.820 0.097 0.000 2.478 108 A HA 0.602 4.921 4.320 -0.001 0.000 0.327 108 A C 0.689 178.248 177.584 -0.042 0.000 1.431 108 A CA -0.000 51.981 52.037 -0.092 0.000 1.014 108 A CB -0.291 18.601 19.000 -0.181 0.000 1.143 108 A HN 0.866 nan 8.150 nan 0.000 0.532 109 N N 1.717 120.417 118.700 -0.001 0.000 2.458 109 N HA 0.317 5.056 4.740 -0.001 0.000 0.258 109 N C 0.910 176.484 175.510 0.106 0.000 1.219 109 N CA 0.295 53.360 53.050 0.026 0.000 0.902 109 N CB 0.694 39.143 38.487 -0.063 0.000 1.076 109 N HN 1.020 nan 8.380 nan 0.000 0.455 110 G N 0.236 109.110 108.800 0.124 0.000 2.176 110 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.253 110 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.253 110 G C 0.354 175.279 174.900 0.041 0.000 0.979 110 G CA 0.401 45.573 45.100 0.119 0.000 0.641 110 G HN 0.525 nan 8.290 nan 0.000 0.530 111 V N -0.096 119.823 119.914 0.008 0.000 3.449 111 V HA 0.212 4.331 4.120 -0.001 0.000 0.208 111 V C 2.450 178.534 176.094 -0.017 0.000 1.269 111 V CA 2.376 64.642 62.300 -0.057 0.000 1.301 111 V CB 0.062 31.786 31.823 -0.165 0.000 1.306 111 V HN 0.729 nan 8.190 nan 0.000 0.531 112 T N -0.871 113.682 114.554 -0.002 0.000 3.060 112 T HA 0.267 4.616 4.350 -0.001 0.000 0.249 112 T C 0.323 175.150 174.700 0.212 0.000 1.079 112 T CA 0.447 62.562 62.100 0.025 0.000 1.013 112 T CB -0.049 68.814 68.868 -0.008 0.000 0.975 112 T HN 0.752 nan 8.240 nan 0.000 0.518 113 E N -1.045 119.304 120.200 0.248 0.000 2.417 113 E HA 0.407 4.756 4.350 -0.001 0.000 0.280 113 E C -1.621 174.984 176.600 0.008 0.000 1.112 113 E CA -1.127 55.406 56.400 0.222 0.000 0.863 113 E CB 0.466 30.229 29.700 0.105 0.000 1.346 113 E HN 0.069 nan 8.360 nan 0.000 0.443 114 c N 1.042 119.525 118.600 -0.194 0.000 2.382 114 c HA 0.542 5.111 4.570 -0.001 0.000 0.363 114 c C -2.155 171.683 174.090 -0.420 0.000 1.213 114 c CA -1.018 55.134 56.329 -0.296 0.000 2.363 114 c CB 0.334 42.700 42.510 -0.240 0.000 2.397 114 c HN 0.569 nan 8.230 nan 0.000 0.573 115 P HA 0.207 nan 4.420 nan 0.000 0.271 115 P C -0.689 176.307 177.300 -0.506 0.000 1.218 115 P CA 0.115 62.721 63.100 -0.823 0.000 0.780 115 P CB 0.254 31.021 31.700 -1.556 0.000 0.901 116 I N 4.897 125.294 120.570 -0.287 0.000 2.517 116 I HA 0.113 4.282 4.170 -0.001 0.000 0.285 116 I C -1.641 174.440 176.117 -0.060 0.000 1.106 116 I CA -1.905 59.327 61.300 -0.113 0.000 1.402 116 I CB 0.295 38.253 38.000 -0.070 0.000 1.399 116 I HN 0.198 nan 8.210 nan 0.000 0.535 117 P HA 0.119 nan 4.420 nan 0.000 0.269 117 P C -2.541 174.661 177.300 -0.164 0.000 1.215 117 P CA -1.106 62.044 63.100 0.084 0.000 0.780 117 P CB 0.063 31.831 31.700 0.114 0.000 0.898 118 P HA 0.047 nan 4.420 nan 0.000 0.293 118 P C -0.246 176.923 177.300 -0.218 0.000 1.298 118 P CA -0.138 62.791 63.100 -0.286 0.000 0.757 118 P CB 0.230 31.733 31.700 -0.328 0.000 1.262 119 K N -1.794 118.532 120.400 -0.124 0.000 3.069 119 K HA -0.182 4.138 4.320 -0.001 0.000 0.267 119 K C 0.832 177.411 176.600 -0.036 0.000 1.082 119 K CA 0.692 56.943 56.287 -0.059 0.000 0.782 119 K CB -2.403 30.072 32.500 -0.041 0.000 1.230 119 K HN 0.974 nan 8.250 nan 0.000 0.488 120 G N -1.516 107.264 108.800 -0.034 0.000 2.192 120 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.193 120 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.193 120 G C 0.348 175.242 174.900 -0.011 0.000 0.999 120 G CA -0.263 44.829 45.100 -0.012 0.000 0.659 120 G HN 0.699 nan 8.290 nan 0.000 0.503 121 G N 0.140 108.924 108.800 -0.026 0.000 2.491 121 G HA2 0.571 4.530 3.960 -0.001 0.000 0.238 121 G HA3 0.571 4.530 3.960 -0.001 0.000 0.238 121 G C 0.080 174.977 174.900 -0.005 0.000 1.277 121 G CA 0.918 46.010 45.100 -0.014 0.000 0.851 121 G HN 1.207 nan 8.290 nan 0.000 0.573 122 Q N 0.142 119.940 119.800 -0.003 0.000 2.456 122 Q HA 0.761 5.100 4.340 -0.001 0.000 0.284 122 Q C -1.102 174.881 176.000 -0.029 0.000 1.061 122 Q CA -1.267 54.535 55.803 -0.001 0.000 0.799 122 Q CB 2.496 31.240 28.738 0.009 0.000 1.445 122 Q HN 0.514 nan 8.270 nan 0.000 0.411 123 R N 0.787 121.262 120.500 -0.042 0.000 2.594 123 R HA 0.391 4.730 4.340 -0.001 0.000 0.265 123 R C -1.691 174.538 176.300 -0.117 0.000 1.070 123 R CA -0.297 55.727 56.100 -0.128 0.000 0.909 123 R CB 2.729 32.878 30.300 -0.251 0.000 1.243 123 R HN 0.890 nan 8.270 nan 0.000 0.455 124 T N 4.227 118.708 114.554 -0.121 0.000 2.772 124 T HA 0.396 4.745 4.350 -0.001 0.000 0.288 124 T C -0.855 173.844 174.700 -0.002 0.000 0.994 124 T CA -0.224 61.856 62.100 -0.034 0.000 0.951 124 T CB 0.125 68.984 68.868 -0.014 0.000 0.933 124 T HN 0.254 nan 8.240 nan 0.000 0.447 125 Y N 2.234 122.612 120.300 0.131 0.000 2.299 125 Y HA 0.543 5.092 4.550 -0.001 0.000 0.326 125 Y C 0.975 176.885 175.900 0.017 0.000 1.164 125 Y CA -0.673 57.602 58.100 0.293 0.000 1.234 125 Y CB 0.917 39.595 38.460 0.363 0.000 1.219 125 Y HN 0.348 nan 8.280 nan 0.000 0.497 126 R N 4.805 125.375 120.500 0.118 0.000 2.515 126 R HA 0.326 4.665 4.340 -0.001 0.000 0.291 126 R C -2.041 174.067 176.300 -0.320 0.000 1.046 126 R CA -0.595 55.332 56.100 -0.287 0.000 0.914 126 R CB 1.230 31.371 30.300 -0.264 0.000 1.191 126 R HN 0.908 nan 8.270 nan 0.000 0.435 127 W N 2.912 124.005 121.300 -0.344 0.000 3.127 127 W HA 0.489 5.148 4.660 -0.001 0.000 0.330 127 W C -1.403 175.007 176.519 -0.182 0.000 1.187 127 W CA -1.195 55.990 57.345 -0.266 0.000 1.198 127 W CB 0.697 29.998 29.460 -0.265 0.000 1.408 127 W HN 0.381 nan 8.180 nan 0.000 0.529 128 R N 2.105 122.729 120.500 0.207 0.000 2.308 128 R HA 0.516 4.855 4.340 -0.001 0.000 0.305 128 R C -0.022 176.460 176.300 0.303 0.000 1.053 128 R CA -0.078 56.106 56.100 0.141 0.000 0.957 128 R CB 1.183 31.537 30.300 0.091 0.000 1.022 128 R HN 0.550 nan 8.270 nan 0.000 0.461 129 A N 5.703 128.668 122.820 0.242 0.000 2.990 129 A HA 0.176 4.495 4.320 -0.001 0.000 0.282 129 A C 0.221 177.994 177.584 0.314 0.000 1.688 129 A CA -0.269 51.963 52.037 0.324 0.000 1.391 129 A CB -0.336 18.817 19.000 0.255 0.000 1.112 129 A HN 0.879 nan 8.150 nan 0.000 0.588 130 R N 0.297 120.956 120.500 0.264 0.000 2.320 130 R HA 0.109 4.448 4.340 -0.001 0.000 0.211 130 R C 0.207 176.693 176.300 0.310 0.000 0.931 130 R CA 0.313 56.609 56.100 0.327 0.000 1.071 130 R CB 0.209 30.648 30.300 0.232 0.000 1.025 130 R HN 0.797 nan 8.270 nan 0.000 0.495 131 Q N 0.334 120.182 119.800 0.080 0.000 2.309 131 Q HA 0.210 4.549 4.340 -0.001 0.000 0.273 131 Q C -1.760 174.007 176.000 -0.388 0.000 1.040 131 Q CA -0.990 54.620 55.803 -0.321 0.000 0.834 131 Q CB 1.718 30.190 28.738 -0.442 0.000 1.345 131 Q HN 0.142 nan 8.270 nan 0.000 0.414 132 Y N 0.946 120.808 120.300 -0.729 0.000 2.387 132 Y HA 0.966 5.516 4.550 -0.001 0.000 0.336 132 Y C 0.405 176.021 175.900 -0.474 0.000 1.067 132 Y CA 0.045 57.785 58.100 -0.600 0.000 1.114 132 Y CB 1.667 39.615 38.460 -0.853 0.000 1.208 132 Y HN 0.770 nan 8.280 nan 0.000 0.458 133 G N 0.818 109.496 108.800 -0.204 0.000 2.291 133 G HA2 0.264 4.223 3.960 -0.001 0.000 0.249 133 G HA3 0.264 4.223 3.960 -0.001 0.000 0.249 133 G C -1.486 173.351 174.900 -0.106 0.000 1.340 133 G CA -0.627 44.361 45.100 -0.187 0.000 1.017 133 G HN 0.730 nan 8.290 nan 0.000 0.470 134 T N 1.068 115.557 114.554 -0.109 0.000 2.770 134 T HA 0.792 5.141 4.350 -0.001 0.000 0.283 134 T C -0.118 174.550 174.700 -0.054 0.000 0.988 134 T CA 0.036 62.098 62.100 -0.063 0.000 0.957 134 T CB 1.432 70.258 68.868 -0.069 0.000 0.930 134 T HN 0.725 nan 8.240 nan 0.000 0.443 135 S N 1.816 117.523 115.700 0.012 0.000 2.851 135 S HA 0.852 5.322 4.470 -0.001 0.000 0.313 135 S C -1.565 173.152 174.600 0.195 0.000 1.163 135 S CA -0.981 57.268 58.200 0.082 0.000 0.850 135 S CB 1.513 64.722 63.200 0.016 0.000 1.245 135 S HN 0.818 nan 8.310 nan 0.000 0.558 136 W N 0.654 121.861 121.300 -0.156 0.000 3.025 136 W HA 0.686 5.345 4.660 -0.002 0.000 0.343 136 W C -2.422 174.025 176.519 -0.120 0.000 1.246 136 W CA -1.261 55.967 57.345 -0.196 0.000 1.178 136 W CB -0.094 29.158 29.460 -0.347 0.000 1.463 136 W HN 0.753 nan 8.180 nan 0.000 0.578 137 Y N 0.103 120.335 120.300 -0.114 0.000 2.570 137 Y HA 0.815 5.365 4.550 -0.001 0.000 0.345 137 Y C -0.732 174.899 175.900 -0.448 0.000 1.014 137 Y CA -1.329 56.473 58.100 -0.497 0.000 1.063 137 Y CB 1.672 39.907 38.460 -0.374 0.000 1.272 137 Y HN 0.751 nan 8.280 nan 0.000 0.477 138 H N -1.697 117.081 119.070 -0.487 0.000 2.987 138 H HA 0.525 5.080 4.556 -0.001 0.000 0.316 138 H C -1.405 173.753 175.328 -0.283 0.000 1.380 138 H CA -1.013 54.788 56.048 -0.413 0.000 1.160 138 H CB 0.964 30.202 29.762 -0.873 0.000 1.865 138 H HN 0.776 nan 8.280 nan 0.000 0.521 139 S N -0.337 115.419 115.700 0.092 0.000 2.576 139 S HA 0.072 4.541 4.470 -0.001 0.000 0.276 139 S C -0.036 174.708 174.600 0.240 0.000 1.339 139 S CA -0.329 57.949 58.200 0.131 0.000 1.039 139 S CB 0.129 63.453 63.200 0.206 0.000 0.902 139 S HN 0.792 nan 8.310 nan 0.000 0.516 140 H N 3.219 122.386 119.070 0.161 0.000 2.674 140 H HA 0.241 4.796 4.556 -0.002 0.000 0.274 140 H C -0.806 174.639 175.328 0.194 0.000 1.121 140 H CA -0.367 55.783 56.048 0.170 0.000 1.132 140 H CB -0.117 29.676 29.762 0.052 0.000 1.606 140 H HN 0.604 nan 8.280 nan 0.000 0.558 141 F N 1.931 121.979 119.950 0.163 0.000 2.462 141 F HA 0.217 4.743 4.527 -0.001 0.000 0.354 141 F C 0.885 176.817 175.800 0.220 0.000 1.192 141 F CA 0.183 58.234 58.000 0.085 0.000 1.173 141 F CB -0.170 38.759 39.000 -0.119 0.000 1.402 141 F HN 0.067 nan 8.300 nan 0.000 0.595 142 S N 2.477 118.267 115.700 0.149 0.000 3.949 142 S HA -0.323 4.146 4.470 -0.001 0.000 0.626 142 S C 0.813 175.524 174.600 0.184 0.000 2.168 142 S CA 0.938 59.230 58.200 0.153 0.000 4.124 142 S CB -1.406 61.871 63.200 0.129 0.000 0.220 142 S HN 1.053 nan 8.310 nan 0.000 0.750 143 A N 0.729 123.650 122.820 0.169 0.000 2.577 143 A HA 0.368 4.687 4.320 -0.001 0.000 0.280 143 A C 1.419 179.048 177.584 0.075 0.000 1.331 143 A CA 0.892 52.971 52.037 0.070 0.000 0.935 143 A CB -0.279 18.790 19.000 0.115 0.000 1.082 143 A HN 0.570 nan 8.150 nan 0.000 0.525 144 Q N -0.457 119.474 119.800 0.218 0.000 2.248 144 Q HA -0.262 4.077 4.340 -0.001 0.000 0.208 144 Q C 1.575 177.692 176.000 0.194 0.000 0.984 144 Q CA 2.322 58.265 55.803 0.233 0.000 0.875 144 Q CB -0.357 28.577 28.738 0.326 0.000 0.910 144 Q HN 0.993 nan 8.270 nan 0.000 0.433 145 Y N -2.339 118.025 120.300 0.108 0.000 2.497 145 Y HA 0.120 4.669 4.550 -0.002 0.000 0.292 145 Y C 1.737 177.689 175.900 0.085 0.000 1.137 145 Y CA 0.973 59.125 58.100 0.086 0.000 1.285 145 Y CB -0.821 37.687 38.460 0.080 0.000 0.991 145 Y HN 0.001 nan 8.280 nan 0.000 0.556 146 G N 0.572 109.246 108.800 -0.212 0.000 2.598 146 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.215 146 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.215 146 G C 1.196 176.133 174.900 0.062 0.000 1.131 146 G CA 0.558 45.580 45.100 -0.131 0.000 0.785 146 G HN 0.409 nan 8.290 nan 0.000 0.539 147 N N 0.111 118.853 118.700 0.070 0.000 2.299 147 N HA 0.148 4.887 4.740 -0.001 0.000 0.187 147 N C 1.591 177.112 175.510 0.019 0.000 1.099 147 N CA 0.902 53.987 53.050 0.059 0.000 0.867 147 N CB 0.783 39.301 38.487 0.052 0.000 0.974 147 N HN 0.396 nan 8.380 nan 0.000 0.477 148 G N -0.697 108.138 108.800 0.058 0.000 2.273 148 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.162 148 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.162 148 G C -0.133 174.783 174.900 0.027 0.000 1.006 148 G CA -0.259 44.848 45.100 0.013 0.000 0.704 148 G HN 0.104 nan 8.290 nan 0.000 0.487 149 V N 2.458 122.423 119.914 0.086 0.000 2.055 149 V HA 0.482 4.601 4.120 -0.001 0.000 0.248 149 V C 0.772 176.944 176.094 0.130 0.000 1.476 149 V CA 0.395 62.749 62.300 0.089 0.000 1.417 149 V CB -0.193 31.693 31.823 0.106 0.000 1.465 149 V HN 0.963 nan 8.190 nan 0.000 0.502 150 V N 0.041 119.985 119.914 0.051 0.000 3.159 150 V HA 1.141 5.260 4.120 -0.001 0.000 0.308 150 V C 0.038 175.930 176.094 -0.336 0.000 1.190 150 V CA -0.247 62.030 62.300 -0.039 0.000 1.037 150 V CB 1.831 33.722 31.823 0.113 0.000 1.060 150 V HN 0.652 nan 8.190 nan 0.000 0.437 151 G N 0.234 108.592 108.800 -0.736 0.000 2.349 151 G HA2 0.677 4.636 3.960 -0.001 0.000 0.294 151 G HA3 0.677 4.636 3.960 -0.001 0.000 0.294 151 G C -0.776 173.621 174.900 -0.839 0.000 1.380 151 G CA 0.115 44.643 45.100 -0.954 0.000 0.811 151 G HN 1.598 nan 8.290 nan 0.000 0.519 152 T N -1.938 112.390 114.554 -0.376 0.000 2.940 152 T HA 0.807 5.156 4.350 -0.001 0.000 0.288 152 T C -0.415 174.386 174.700 0.168 0.000 1.033 152 T CA -0.725 61.334 62.100 -0.069 0.000 1.033 152 T CB 1.783 70.626 68.868 -0.040 0.000 1.079 152 T HN 0.594 nan 8.240 nan 0.000 0.496 153 I N 1.329 122.015 120.570 0.194 0.000 2.466 153 I HA 0.398 4.568 4.170 -0.001 0.000 0.289 153 I C -0.483 175.722 176.117 0.147 0.000 1.026 153 I CA -0.699 60.753 61.300 0.252 0.000 1.078 153 I CB 2.244 40.447 38.000 0.339 0.000 1.249 153 I HN 0.689 nan 8.210 nan 0.000 0.429 154 Q N 7.027 126.910 119.800 0.139 0.000 2.394 154 Q HA 0.433 4.772 4.340 -0.001 0.000 0.261 154 Q C -1.574 174.494 176.000 0.112 0.000 1.023 154 Q CA -0.623 55.237 55.803 0.095 0.000 0.720 154 Q CB 1.344 30.130 28.738 0.081 0.000 1.241 154 Q HN 0.507 nan 8.270 nan 0.000 0.483 155 I N 3.865 124.488 120.570 0.089 0.000 2.306 155 I HA 0.247 4.417 4.170 -0.001 0.000 0.288 155 I C -0.030 176.110 176.117 0.038 0.000 1.036 155 I CA -0.547 60.811 61.300 0.097 0.000 1.221 155 I CB 0.601 38.667 38.000 0.111 0.000 1.385 155 I HN 0.596 nan 8.210 nan 0.000 0.472 156 N N 4.794 123.532 118.700 0.063 0.000 2.492 156 N HA 0.468 5.207 4.740 -0.001 0.000 0.260 156 N C 0.448 175.695 175.510 -0.439 0.000 1.215 156 N CA 0.303 53.349 53.050 -0.007 0.000 0.923 156 N CB 1.915 40.535 38.487 0.222 0.000 1.092 156 N HN 0.872 nan 8.380 nan 0.000 0.448 157 G N 1.169 109.488 108.800 -0.803 0.000 2.561 157 G HA2 0.391 4.351 3.960 -0.001 0.000 0.310 157 G HA3 0.391 4.351 3.960 -0.001 0.000 0.310 157 G C -3.102 171.157 174.900 -1.069 0.000 1.292 157 G CA -0.564 43.493 45.100 -1.738 0.000 0.811 157 G HN 0.291 nan 8.290 nan 0.000 0.482 158 P HA 0.546 nan 4.420 nan 0.000 0.275 158 P C -0.519 176.729 177.300 -0.087 0.000 1.266 158 P CA 0.108 63.043 63.100 -0.274 0.000 0.793 158 P CB 1.648 33.242 31.700 -0.176 0.000 1.074 159 A N -0.147 122.724 122.820 0.085 0.000 2.566 159 A HA 0.491 4.810 4.320 -0.001 0.000 0.292 159 A C 0.690 178.362 177.584 0.146 0.000 1.112 159 A CA -0.218 51.923 52.037 0.174 0.000 0.707 159 A CB 0.645 19.855 19.000 0.348 0.000 1.302 159 A HN 0.462 nan 8.150 nan 0.000 0.409 160 S N -0.479 115.306 115.700 0.141 0.000 2.631 160 S HA 0.438 4.907 4.470 -0.001 0.000 0.217 160 S C -0.054 174.611 174.600 0.109 0.000 0.958 160 S CA 0.340 58.609 58.200 0.114 0.000 0.920 160 S CB -0.574 62.686 63.200 0.099 0.000 0.776 160 S HN 0.983 nan 8.310 nan 0.000 0.517 161 L N 1.558 122.865 121.223 0.139 0.000 2.545 161 L HA 0.538 4.877 4.340 -0.001 0.000 0.258 161 L C -2.792 174.172 176.870 0.157 0.000 0.942 161 L CA -1.659 53.260 54.840 0.131 0.000 0.855 161 L CB 2.091 44.229 42.059 0.131 0.000 1.374 161 L HN -0.166 nan 8.230 nan 0.000 0.411 162 P HA 0.319 nan 4.420 nan 0.000 0.275 162 P C -1.892 175.458 177.300 0.084 0.000 1.227 162 P CA 0.122 63.222 63.100 0.000 0.000 0.781 162 P CB 0.599 32.291 31.700 -0.013 0.000 0.906 163 Y N -1.137 119.165 120.300 0.002 0.000 2.609 163 Y HA 0.444 4.993 4.550 -0.001 0.000 0.336 163 Y C 0.246 176.120 175.900 -0.043 0.000 1.129 163 Y CA -0.962 57.124 58.100 -0.022 0.000 1.040 163 Y CB 0.366 38.818 38.460 -0.013 0.000 1.310 163 Y HN 0.127 nan 8.280 nan 0.000 0.460 164 D N 1.441 121.886 120.400 0.075 0.000 2.269 164 D HA 0.186 4.825 4.640 -0.001 0.000 0.220 164 D C 0.104 176.424 176.300 0.033 0.000 0.962 164 D CA 1.240 55.226 54.000 -0.023 0.000 0.884 164 D CB 1.063 41.805 40.800 -0.097 0.000 1.023 164 D HN 0.482 nan 8.370 nan 0.000 0.484 165 I N 1.085 121.681 120.570 0.042 0.000 2.509 165 I HA 0.152 4.322 4.170 -0.001 0.000 0.293 165 I C -0.635 175.558 176.117 0.127 0.000 1.020 165 I CA -0.814 60.515 61.300 0.048 0.000 1.088 165 I CB 2.612 40.563 38.000 -0.081 0.000 1.267 165 I HN -0.301 nan 8.210 nan 0.000 0.430 166 D N 6.351 126.830 120.400 0.132 0.000 2.443 166 D HA 0.282 4.921 4.640 -0.001 0.000 0.221 166 D C 0.661 176.965 176.300 0.007 0.000 1.097 166 D CA -0.185 53.842 54.000 0.045 0.000 0.865 166 D CB 1.247 42.129 40.800 0.137 0.000 1.034 166 D HN 0.460 nan 8.370 nan 0.000 0.511 167 L N 2.912 124.111 121.223 -0.041 0.000 2.551 167 L HA 0.137 4.476 4.340 -0.001 0.000 0.228 167 L C 1.604 178.427 176.870 -0.078 0.000 1.153 167 L CA 0.547 55.341 54.840 -0.077 0.000 0.851 167 L CB -0.701 41.261 42.059 -0.162 0.000 0.959 167 L HN 0.663 nan 8.230 nan 0.000 0.451 168 G N -0.066 108.702 108.800 -0.052 0.000 2.584 168 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.229 168 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.229 168 G C -0.177 174.711 174.900 -0.020 0.000 1.320 168 G CA -0.317 44.770 45.100 -0.021 0.000 0.891 168 G HN 0.229 nan 8.290 nan 0.000 0.573 169 V N -2.893 117.029 119.914 0.013 0.000 2.775 169 V HA 0.723 4.842 4.120 -0.001 0.000 0.299 169 V C 0.253 176.423 176.094 0.125 0.000 1.062 169 V CA -0.012 62.308 62.300 0.034 0.000 1.063 169 V CB 1.467 33.295 31.823 0.007 0.000 0.994 169 V HN 1.550 nan 8.190 nan 0.000 0.483 170 F N 6.116 125.986 119.950 -0.134 0.000 2.710 170 F HA 0.546 5.072 4.527 -0.001 0.000 0.345 170 F C -2.560 173.137 175.800 -0.172 0.000 1.362 170 F CA -2.790 55.112 58.000 -0.162 0.000 1.175 170 F CB 1.528 40.419 39.000 -0.182 0.000 1.561 170 F HN 0.481 nan 8.300 nan 0.000 0.593 171 P HA 0.275 nan 4.420 nan 0.000 0.276 171 P C -0.452 176.616 177.300 -0.386 0.000 1.243 171 P CA 0.207 63.128 63.100 -0.298 0.000 0.768 171 P CB 1.495 33.039 31.700 -0.260 0.000 0.856 172 I N 2.568 122.927 120.570 -0.351 0.000 2.406 172 I HA 0.414 4.583 4.170 -0.001 0.000 0.290 172 I C 0.612 176.631 176.117 -0.162 0.000 0.999 172 I CA -0.313 60.756 61.300 -0.385 0.000 1.124 172 I CB 2.093 39.783 38.000 -0.517 0.000 1.289 172 I HN 0.273 nan 8.210 nan 0.000 0.441 173 T N 3.466 117.951 114.554 -0.115 0.000 2.900 173 T HA 0.339 4.688 4.350 -0.001 0.000 0.303 173 T C -1.312 173.508 174.700 0.201 0.000 1.142 173 T CA -0.758 61.405 62.100 0.106 0.000 1.007 173 T CB 1.375 70.249 68.868 0.009 0.000 1.156 173 T HN 0.667 nan 8.240 nan 0.000 0.490 174 D N 1.740 122.316 120.400 0.293 0.000 2.339 174 D HA 0.295 4.934 4.640 -0.001 0.000 0.245 174 D C -0.971 175.386 176.300 0.096 0.000 1.115 174 D CA -0.067 54.027 54.000 0.157 0.000 0.917 174 D CB 0.334 41.173 40.800 0.065 0.000 1.192 174 D HN 0.424 nan 8.370 nan 0.000 0.428 175 Y N 0.640 120.762 120.300 -0.296 0.000 2.386 175 Y HA 0.408 4.957 4.550 -0.001 0.000 0.334 175 Y C -1.896 173.724 175.900 -0.467 0.000 1.002 175 Y CA -1.277 56.705 58.100 -0.196 0.000 1.068 175 Y CB 1.089 39.507 38.460 -0.070 0.000 1.203 175 Y HN 0.342 nan 8.280 nan 0.000 0.443 176 Y N 5.021 125.124 120.300 -0.329 0.000 2.446 176 Y HA 0.309 4.859 4.550 -0.001 0.000 0.345 176 Y C -0.099 175.520 175.900 -0.468 0.000 0.984 176 Y CA -0.904 56.954 58.100 -0.405 0.000 1.058 176 Y CB 0.964 39.339 38.460 -0.143 0.000 1.220 176 Y HN 0.575 nan 8.280 nan 0.000 0.455 177 Y N -0.139 120.062 120.300 -0.164 0.000 2.337 177 Y HA 0.093 4.643 4.550 -0.001 0.000 0.293 177 Y C 0.934 176.793 175.900 -0.069 0.000 1.123 177 Y CA 0.024 58.025 58.100 -0.165 0.000 1.201 177 Y CB -0.191 38.204 38.460 -0.108 0.000 1.011 177 Y HN 0.307 nan 8.280 nan 0.000 0.545 178 R N 0.469 121.018 120.500 0.082 0.000 2.490 178 R HA 0.478 4.817 4.340 -0.001 0.000 0.280 178 R C 0.326 176.636 176.300 0.016 0.000 1.077 178 R CA -0.167 55.941 56.100 0.014 0.000 1.065 178 R CB 0.635 30.885 30.300 -0.082 0.000 1.003 178 R HN 0.093 nan 8.270 nan 0.000 0.470 179 A N 1.843 124.671 122.820 0.014 0.000 2.366 179 A HA 0.335 4.655 4.320 -0.001 0.000 0.249 179 A C 1.293 178.885 177.584 0.014 0.000 1.084 179 A CA 0.346 52.401 52.037 0.030 0.000 0.794 179 A CB 0.342 19.361 19.000 0.031 0.000 1.034 179 A HN 0.922 nan 8.150 nan 0.000 0.491 180 A N 0.394 123.250 122.820 0.060 0.000 1.917 180 A HA -0.191 4.129 4.320 -0.001 0.000 0.219 180 A C 1.581 179.223 177.584 0.096 0.000 1.182 180 A CA 2.128 54.229 52.037 0.108 0.000 0.633 180 A CB -0.637 18.439 19.000 0.127 0.000 0.819 180 A HN 0.842 nan 8.150 nan 0.000 0.448 181 D N -0.270 120.179 120.400 0.081 0.000 2.178 181 D HA -0.107 4.533 4.640 -0.001 0.000 0.202 181 D C 1.008 177.336 176.300 0.046 0.000 0.974 181 D CA 1.217 55.264 54.000 0.078 0.000 0.841 181 D CB -0.276 40.559 40.800 0.058 0.000 0.953 181 D HN 0.414 nan 8.370 nan 0.000 0.478 182 D N 0.512 120.914 120.400 0.003 0.000 2.183 182 D HA -0.026 4.614 4.640 -0.001 0.000 0.203 182 D C 2.346 178.636 176.300 -0.018 0.000 0.969 182 D CA 0.249 54.251 54.000 0.003 0.000 0.842 182 D CB 0.034 40.814 40.800 -0.034 0.000 0.957 182 D HN 0.240 nan 8.370 nan 0.000 0.484 183 L N 0.264 121.392 121.223 -0.159 0.000 2.179 183 L HA -0.075 4.264 4.340 -0.001 0.000 0.208 183 L C 2.450 179.058 176.870 -0.437 0.000 1.096 183 L CA 0.267 54.846 54.840 -0.435 0.000 0.779 183 L CB -0.023 41.539 42.059 -0.829 0.000 0.922 183 L HN -0.100 nan 8.230 nan 0.000 0.443 184 V N -0.617 119.212 119.914 -0.142 0.000 2.307 184 V HA -0.322 3.797 4.120 -0.001 0.000 0.245 184 V C 2.449 178.575 176.094 0.053 0.000 1.045 184 V CA 2.058 64.379 62.300 0.035 0.000 1.024 184 V CB -0.582 31.343 31.823 0.170 0.000 0.651 184 V HN 0.502 nan 8.190 nan 0.000 0.449 185 H N -0.658 118.416 119.070 0.008 0.000 2.353 185 H HA -0.227 4.328 4.556 -0.001 0.000 0.300 185 H C 1.929 177.278 175.328 0.036 0.000 1.090 185 H CA 2.284 58.351 56.048 0.032 0.000 1.327 185 H CB -0.281 29.504 29.762 0.037 0.000 1.383 185 H HN 0.377 nan 8.280 nan 0.000 0.508 186 F N 1.035 120.894 119.950 -0.153 0.000 2.075 186 F HA -0.170 4.356 4.527 -0.001 0.000 0.297 186 F C 2.624 178.283 175.800 -0.236 0.000 1.113 186 F CA 2.111 59.986 58.000 -0.209 0.000 1.218 186 F CB -0.910 37.957 39.000 -0.221 0.000 0.984 186 F HN 0.324 nan 8.300 nan 0.000 0.472 187 T N -2.035 112.371 114.554 -0.247 0.000 3.051 187 T HA -0.146 4.203 4.350 -0.001 0.000 0.269 187 T C 1.674 176.285 174.700 -0.148 0.000 1.127 187 T CA 1.150 63.063 62.100 -0.312 0.000 1.107 187 T CB -0.491 68.181 68.868 -0.326 0.000 0.898 187 T HN 0.476 nan 8.240 nan 0.000 0.517 188 Q N 0.705 120.457 119.800 -0.080 0.000 2.230 188 Q HA 0.076 4.415 4.340 -0.001 0.000 0.202 188 Q C 1.442 177.505 176.000 0.105 0.000 0.963 188 Q CA 0.825 56.652 55.803 0.040 0.000 0.866 188 Q CB 0.103 28.826 28.738 -0.024 0.000 0.931 188 Q HN 0.551 nan 8.270 nan 0.000 0.452 189 N N -0.490 118.189 118.700 -0.034 0.000 2.143 189 N HA 0.141 4.880 4.740 -0.001 0.000 0.222 189 N C -0.614 174.899 175.510 0.005 0.000 1.264 189 N CA 0.116 53.176 53.050 0.017 0.000 0.897 189 N CB 0.882 39.290 38.487 -0.131 0.000 1.092 189 N HN 0.129 nan 8.380 nan 0.000 0.516 190 N N 0.111 118.649 118.700 -0.269 0.000 2.455 190 N HA 0.403 5.142 4.740 -0.001 0.000 0.278 190 N C -0.923 174.222 175.510 -0.608 0.000 1.291 190 N CA -0.460 52.303 53.050 -0.478 0.000 0.780 190 N CB 2.294 40.059 38.487 -1.203 0.000 1.520 190 N HN -0.103 nan 8.380 nan 0.000 0.486 191 A N 1.546 124.128 122.820 -0.398 0.000 2.425 191 A HA 0.343 4.662 4.320 -0.001 0.000 0.249 191 A C -2.027 175.463 177.584 -0.156 0.000 1.084 191 A CA -0.829 51.023 52.037 -0.308 0.000 0.781 191 A CB -0.498 18.448 19.000 -0.088 0.000 1.019 191 A HN 0.389 nan 8.150 nan 0.000 0.490 192 P HA 0.159 nan 4.420 nan 0.000 0.265 192 P C -2.432 174.987 177.300 0.198 0.000 1.193 192 P CA -0.522 62.618 63.100 0.068 0.000 0.765 192 P CB -0.060 31.778 31.700 0.231 0.000 0.823 193 P HA 0.256 nan 4.420 nan 0.000 0.276 193 P C -0.341 177.209 177.300 0.417 0.000 1.261 193 P CA -0.363 62.884 63.100 0.245 0.000 0.800 193 P CB 0.556 32.318 31.700 0.103 0.000 1.066 194 F N 0.263 120.250 119.950 0.063 0.000 2.406 194 F HA 0.127 4.653 4.527 -0.002 0.000 0.327 194 F C 1.516 177.306 175.800 -0.016 0.000 1.153 194 F CA -0.741 57.250 58.000 -0.015 0.000 1.218 194 F CB 0.215 39.154 39.000 -0.101 0.000 1.215 194 F HN 0.258 nan 8.300 nan 0.000 0.570 195 S N 1.157 116.818 115.700 -0.065 0.000 2.576 195 S HA 0.097 4.566 4.470 -0.001 0.000 0.276 195 S C 0.651 175.055 174.600 -0.326 0.000 1.339 195 S CA -0.745 57.163 58.200 -0.486 0.000 1.039 195 S CB 0.866 63.747 63.200 -0.530 0.000 0.902 195 S HN 0.549 nan 8.310 nan 0.000 0.516 196 D N 0.998 121.097 120.400 -0.502 0.000 2.183 196 D HA 0.040 4.680 4.640 -0.001 0.000 0.203 196 D C 0.475 176.624 176.300 -0.252 0.000 0.969 196 D CA 1.194 54.909 54.000 -0.476 0.000 0.842 196 D CB -0.112 39.989 40.800 -1.165 0.000 0.957 196 D HN 0.537 nan 8.370 nan 0.000 0.484 197 N N -1.255 117.338 118.700 -0.178 0.000 3.020 197 N HA 0.199 4.938 4.740 -0.001 0.000 0.248 197 N C -1.953 173.568 175.510 0.019 0.000 1.480 197 N CA -0.493 52.558 53.050 0.002 0.000 0.874 197 N CB 2.055 40.629 38.487 0.145 0.000 1.433 197 N HN -0.348 nan 8.380 nan 0.000 0.530 198 V N 2.081 122.003 119.914 0.014 0.000 2.443 198 V HA 0.476 4.595 4.120 -0.001 0.000 0.293 198 V C -0.257 175.763 176.094 -0.123 0.000 1.021 198 V CA -0.643 61.639 62.300 -0.029 0.000 0.848 198 V CB 1.360 33.148 31.823 -0.058 0.000 0.998 198 V HN 0.446 nan 8.190 nan 0.000 0.424 199 L N 5.992 127.123 121.223 -0.154 0.000 2.326 199 L HA 0.579 4.919 4.340 -0.001 0.000 0.278 199 L C -0.456 176.243 176.870 -0.286 0.000 1.092 199 L CA -0.247 54.460 54.840 -0.222 0.000 0.810 199 L CB 1.179 43.081 42.059 -0.261 0.000 1.153 199 L HN 0.463 nan 8.230 nan 0.000 0.439 200 I N 3.783 124.173 120.570 -0.300 0.000 2.382 200 I HA 0.216 4.385 4.170 -0.001 0.000 0.286 200 I C 0.164 176.004 176.117 -0.461 0.000 1.002 200 I CA -0.464 60.551 61.300 -0.474 0.000 1.135 200 I CB 1.311 39.062 38.000 -0.416 0.000 1.288 200 I HN 0.712 nan 8.210 nan 0.000 0.448 201 N N 5.120 123.505 118.700 -0.524 0.000 2.735 201 N HA -0.194 4.546 4.740 -0.001 0.000 0.248 201 N C 0.788 176.191 175.510 -0.178 0.000 1.083 201 N CA 1.303 54.167 53.050 -0.310 0.000 0.703 201 N CB -0.771 37.599 38.487 -0.196 0.000 1.005 201 N HN 1.129 nan 8.380 nan 0.000 0.550 202 G N -2.383 106.303 108.800 -0.189 0.000 2.148 202 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.254 202 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.254 202 G C 0.180 174.990 174.900 -0.149 0.000 0.981 202 G CA 1.082 46.099 45.100 -0.139 0.000 0.670 202 G HN 1.116 nan 8.290 nan 0.000 0.528 203 T N -1.214 113.240 114.554 -0.167 0.000 2.894 203 T HA 0.913 5.263 4.350 -0.001 0.000 0.309 203 T C -0.589 174.024 174.700 -0.145 0.000 1.208 203 T CA 0.802 62.811 62.100 -0.151 0.000 1.016 203 T CB 1.584 70.394 68.868 -0.097 0.000 1.192 203 T HN 1.945 nan 8.240 nan 0.000 0.491 204 A N 1.998 124.728 122.820 -0.150 0.000 2.601 204 A HA 0.733 5.053 4.320 -0.001 0.000 0.291 204 A C -1.539 175.929 177.584 -0.193 0.000 1.075 204 A CA -0.574 51.377 52.037 -0.142 0.000 0.671 204 A CB 1.171 20.105 19.000 -0.111 0.000 1.277 204 A HN 0.781 nan 8.150 nan 0.000 0.417 205 V N 2.077 121.820 119.914 -0.286 0.000 2.539 205 V HA 0.320 4.439 4.120 -0.001 0.000 0.292 205 V C 0.436 176.450 176.094 -0.133 0.000 1.045 205 V CA -0.892 61.222 62.300 -0.311 0.000 0.945 205 V CB 1.682 33.130 31.823 -0.625 0.000 0.993 205 V HN 0.836 nan 8.190 nan 0.000 0.464 206 N N 6.467 125.125 118.700 -0.069 0.000 2.452 206 N HA 0.137 4.877 4.740 -0.001 0.000 0.266 206 N C -1.459 174.054 175.510 0.005 0.000 1.175 206 N CA -1.294 51.763 53.050 0.011 0.000 0.945 206 N CB 1.893 40.392 38.487 0.020 0.000 1.063 206 N HN 0.387 nan 8.380 nan 0.000 0.472 207 P HA -0.044 nan 4.420 nan 0.000 0.230 207 P C -0.067 177.255 177.300 0.038 0.000 1.158 207 P CA 1.165 64.286 63.100 0.035 0.000 0.769 207 P CB 0.535 32.258 31.700 0.038 0.000 0.807 208 N N -0.542 118.181 118.700 0.040 0.000 2.428 208 N HA -0.042 4.697 4.740 -0.001 0.000 0.181 208 N C 1.749 177.272 175.510 0.021 0.000 1.028 208 N CA 1.331 54.401 53.050 0.034 0.000 0.877 208 N CB -0.390 38.122 38.487 0.041 0.000 1.064 208 N HN 0.146 nan 8.380 nan 0.000 0.434 209 T N -3.385 111.176 114.554 0.013 0.000 3.037 209 T HA 0.310 4.659 4.350 -0.001 0.000 0.252 209 T C 1.620 176.317 174.700 -0.005 0.000 1.073 209 T CA 0.591 62.691 62.100 -0.000 0.000 1.091 209 T CB 0.354 69.214 68.868 -0.014 0.000 0.935 209 T HN 0.269 nan 8.240 nan 0.000 0.488 210 G N 1.246 110.040 108.800 -0.009 0.000 2.176 210 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.253 210 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.253 210 G C -0.167 174.705 174.900 -0.047 0.000 0.979 210 G CA 0.165 45.253 45.100 -0.019 0.000 0.641 210 G HN 0.668 nan 8.290 nan 0.000 0.530 211 E N 0.043 120.213 120.200 -0.050 0.000 2.374 211 E HA 0.492 4.841 4.350 -0.001 0.000 0.260 211 E C 0.977 177.520 176.600 -0.094 0.000 1.101 211 E CA 0.506 56.867 56.400 -0.064 0.000 0.907 211 E CB 0.808 30.473 29.700 -0.059 0.000 1.014 211 E HN 1.528 nan 8.360 nan 0.000 0.427 212 G N 0.919 109.659 108.800 -0.099 0.000 2.685 212 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.387 212 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.387 212 G C -1.150 173.664 174.900 -0.143 0.000 1.324 212 G CA -0.857 44.170 45.100 -0.122 0.000 0.878 212 G HN 0.348 nan 8.290 nan 0.000 0.527 213 Q N -1.172 118.541 119.800 -0.145 0.000 2.421 213 Q HA 0.583 4.923 4.340 -0.001 0.000 0.280 213 Q C -1.040 174.896 176.000 -0.106 0.000 1.085 213 Q CA -0.737 54.998 55.803 -0.113 0.000 0.807 213 Q CB 1.867 30.586 28.738 -0.032 0.000 1.405 213 Q HN 0.570 nan 8.270 nan 0.000 0.419 214 Y N 0.228 120.561 120.300 0.055 0.000 2.301 214 Y HA 0.413 4.962 4.550 -0.002 0.000 0.328 214 Y C 0.778 176.711 175.900 0.055 0.000 1.242 214 Y CA -0.406 57.749 58.100 0.092 0.000 1.323 214 Y CB 0.781 39.364 38.460 0.204 0.000 1.266 214 Y HN 0.632 nan 8.280 nan 0.000 0.527 215 A N 2.681 125.639 122.820 0.229 0.000 2.488 215 A HA 0.170 4.490 4.320 -0.001 0.000 0.249 215 A C -0.139 177.528 177.584 0.138 0.000 1.083 215 A CA -0.328 51.787 52.037 0.130 0.000 0.768 215 A CB -0.311 18.739 19.000 0.083 0.000 1.017 215 A HN 0.703 nan 8.150 nan 0.000 0.496 216 N N 2.376 121.100 118.700 0.039 0.000 2.518 216 N HA 0.428 5.168 4.740 -0.001 0.000 0.254 216 N C -1.363 174.042 175.510 -0.176 0.000 0.979 216 N CA -0.267 52.757 53.050 -0.044 0.000 0.930 216 N CB 1.313 39.778 38.487 -0.036 0.000 1.152 216 N HN 0.247 nan 8.380 nan 0.000 0.505 217 V N 2.836 122.510 119.914 -0.401 0.000 2.370 217 V HA 0.380 4.499 4.120 -0.001 0.000 0.283 217 V C 0.290 176.088 176.094 -0.492 0.000 1.023 217 V CA -0.607 61.294 62.300 -0.666 0.000 0.857 217 V CB 1.314 32.208 31.823 -1.548 0.000 0.985 217 V HN 0.554 nan 8.190 nan 0.000 0.443 218 T N 7.203 121.577 114.554 -0.301 0.000 2.728 218 T HA 0.519 4.869 4.350 -0.001 0.000 0.296 218 T C -0.107 174.430 174.700 -0.272 0.000 0.940 218 T CA -0.115 61.887 62.100 -0.162 0.000 1.013 218 T CB 0.203 69.061 68.868 -0.017 0.000 0.912 218 T HN 0.338 nan 8.240 nan 0.000 0.484 219 L N 3.380 124.381 121.223 -0.370 0.000 2.307 219 L HA 0.396 4.735 4.340 -0.001 0.000 0.282 219 L C 0.668 177.365 176.870 -0.288 0.000 1.051 219 L CA -0.775 53.718 54.840 -0.578 0.000 0.804 219 L CB 1.133 42.672 42.059 -0.868 0.000 1.197 219 L HN 0.538 nan 8.230 nan 0.000 0.431 220 T N 3.433 118.028 114.554 0.069 0.000 2.743 220 T HA 0.267 4.617 4.350 -0.001 0.000 0.293 220 T C -2.386 172.342 174.700 0.047 0.000 0.945 220 T CA -1.275 60.868 62.100 0.071 0.000 1.030 220 T CB 1.014 69.944 68.868 0.102 0.000 0.912 220 T HN 0.292 nan 8.240 nan 0.000 0.483 221 P HA 0.189 nan 4.420 nan 0.000 0.262 221 P C 1.078 178.440 177.300 0.103 0.000 1.182 221 P CA 0.820 63.990 63.100 0.118 0.000 0.761 221 P CB 0.271 32.089 31.700 0.197 0.000 0.795 222 G N 1.182 110.058 108.800 0.127 0.000 2.162 222 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.260 222 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.260 222 G C 0.116 175.044 174.900 0.047 0.000 0.976 222 G CA -0.017 45.135 45.100 0.087 0.000 0.655 222 G HN 0.480 nan 8.290 nan 0.000 0.533 223 K N -0.210 120.211 120.400 0.036 0.000 2.166 223 K HA 0.646 4.965 4.320 -0.001 0.000 0.245 223 K C 0.254 176.795 176.600 -0.098 0.000 0.967 223 K CA -0.946 55.287 56.287 -0.089 0.000 0.863 223 K CB 1.200 33.549 32.500 -0.251 0.000 1.107 223 K HN 0.231 nan 8.250 nan 0.000 0.436 224 R N 1.373 121.796 120.500 -0.129 0.000 2.229 224 R HA 0.293 4.632 4.340 -0.001 0.000 0.328 224 R C -0.657 175.574 176.300 -0.115 0.000 1.009 224 R CA -0.419 55.673 56.100 -0.012 0.000 0.864 224 R CB 0.294 30.631 30.300 0.062 0.000 1.085 224 R HN 0.459 nan 8.270 nan 0.000 0.453 225 H N 0.684 119.760 119.070 0.010 0.000 2.459 225 H HA 0.329 4.884 4.556 -0.001 0.000 0.332 225 H C -0.363 174.892 175.328 -0.122 0.000 1.094 225 H CA -0.816 55.208 56.048 -0.040 0.000 1.224 225 H CB 1.334 31.049 29.762 -0.079 0.000 1.449 225 H HN 0.249 nan 8.280 nan 0.000 0.484 226 R N 3.102 123.508 120.500 -0.156 0.000 2.221 226 R HA 0.356 4.695 4.340 -0.001 0.000 0.327 226 R C -1.329 174.850 176.300 -0.203 0.000 1.033 226 R CA -0.876 55.008 56.100 -0.360 0.000 0.887 226 R CB 0.371 30.120 30.300 -0.917 0.000 1.057 226 R HN 0.467 nan 8.270 nan 0.000 0.455 227 L N 4.974 126.107 121.223 -0.150 0.000 2.356 227 L HA 0.440 4.779 4.340 -0.001 0.000 0.277 227 L C -0.736 176.088 176.870 -0.077 0.000 0.996 227 L CA -0.395 54.364 54.840 -0.135 0.000 0.822 227 L CB 1.552 43.523 42.059 -0.148 0.000 1.256 227 L HN 0.595 nan 8.230 nan 0.000 0.413 228 R N 6.590 127.057 120.500 -0.056 0.000 2.369 228 R HA 0.471 4.810 4.340 -0.001 0.000 0.310 228 R C -0.814 175.508 176.300 0.036 0.000 1.141 228 R CA -0.311 55.778 56.100 -0.019 0.000 1.116 228 R CB 0.107 30.385 30.300 -0.037 0.000 1.135 228 R HN 0.571 nan 8.270 nan 0.000 0.529 229 I N 4.425 125.038 120.570 0.071 0.000 2.416 229 I HA 0.167 4.336 4.170 -0.001 0.000 0.288 229 I C -0.282 175.815 176.117 -0.033 0.000 1.051 229 I CA -0.442 60.922 61.300 0.105 0.000 1.375 229 I CB 0.555 38.676 38.000 0.202 0.000 1.407 229 I HN 0.239 nan 8.210 nan 0.000 0.516 230 L N 6.007 127.152 121.223 -0.130 0.000 2.354 230 L HA 0.475 4.814 4.340 -0.001 0.000 0.264 230 L C -0.207 176.450 176.870 -0.355 0.000 1.008 230 L CA -0.544 54.106 54.840 -0.316 0.000 0.819 230 L CB 1.428 43.227 42.059 -0.433 0.000 1.339 230 L HN 0.439 nan 8.230 nan 0.000 0.420 231 N N -0.015 118.385 118.700 -0.499 0.000 2.564 231 N HA 0.245 4.984 4.740 -0.001 0.000 0.248 231 N C 0.079 175.092 175.510 -0.828 0.000 0.986 231 N CA -0.281 52.516 53.050 -0.421 0.000 0.921 231 N CB 1.110 39.384 38.487 -0.355 0.000 1.136 231 N HN 0.723 nan 8.380 nan 0.000 0.509 232 T N -0.760 113.332 114.554 -0.770 0.000 3.244 232 T HA 0.257 4.606 4.350 -0.001 0.000 0.254 232 T C 0.516 174.985 174.700 -0.385 0.000 1.024 232 T CA -0.392 61.053 62.100 -1.092 0.000 0.920 232 T CB -0.304 68.083 68.868 -0.801 0.000 1.042 232 T HN 0.161 nan 8.240 nan 0.000 0.572 233 S N 2.067 117.612 115.700 -0.259 0.000 2.596 233 S HA 0.256 4.725 4.470 -0.001 0.000 0.260 233 S C 1.723 176.332 174.600 0.016 0.000 1.336 233 S CA 0.104 58.260 58.200 -0.072 0.000 0.993 233 S CB 0.898 63.971 63.200 -0.212 0.000 0.923 233 S HN 0.731 nan 8.310 nan 0.000 0.567 234 T N -1.771 112.723 114.554 -0.100 0.000 3.040 234 T HA 0.232 4.581 4.350 -0.001 0.000 0.252 234 T C 1.049 175.420 174.700 -0.549 0.000 1.064 234 T CA 0.137 61.973 62.100 -0.440 0.000 1.110 234 T CB 0.138 68.541 68.868 -0.776 0.000 0.921 234 T HN 0.579 nan 8.240 nan 0.000 0.480 235 E N 1.090 121.122 120.200 -0.279 0.000 3.001 235 E HA 0.124 4.473 4.350 -0.001 0.000 0.211 235 E C -0.308 176.268 176.600 -0.040 0.000 1.026 235 E CA -0.123 56.161 56.400 -0.193 0.000 1.614 235 E CB 0.019 29.703 29.700 -0.027 0.000 1.672 235 E HN 0.424 nan 8.360 nan 0.000 0.869 236 N N 1.296 119.954 118.700 -0.070 0.000 2.412 236 N HA -0.010 4.729 4.740 -0.001 0.000 0.258 236 N C -0.861 174.279 175.510 -0.617 0.000 1.236 236 N CA 0.397 53.332 53.050 -0.191 0.000 0.882 236 N CB 0.209 38.583 38.487 -0.189 0.000 1.066 236 N HN 0.140 nan 8.380 nan 0.000 0.465 237 H N 1.970 120.748 119.070 -0.486 0.000 2.481 237 H HA 0.352 4.907 4.556 -0.001 0.000 0.333 237 H C -0.749 174.209 175.328 -0.617 0.000 1.066 237 H CA -0.308 55.388 56.048 -0.586 0.000 1.209 237 H CB 0.477 30.171 29.762 -0.114 0.000 1.445 237 H HN 0.325 nan 8.280 nan 0.000 0.488 238 F N 0.769 120.477 119.950 -0.403 0.000 2.470 238 F HA 0.441 4.968 4.527 -0.001 0.000 0.329 238 F C 0.295 175.803 175.800 -0.487 0.000 1.072 238 F CA -0.912 56.788 58.000 -0.500 0.000 0.989 238 F CB 1.233 39.963 39.000 -0.450 0.000 1.193 238 F HN 0.352 nan 8.300 nan 0.000 0.481 239 Q N 1.796 121.502 119.800 -0.157 0.000 2.331 239 Q HA 0.643 4.982 4.340 -0.001 0.000 0.267 239 Q C -1.123 174.731 176.000 -0.243 0.000 1.006 239 Q CA -1.009 54.697 55.803 -0.163 0.000 0.818 239 Q CB 2.765 31.488 28.738 -0.026 0.000 1.276 239 Q HN 0.595 nan 8.270 nan 0.000 0.450 240 V N -0.607 119.140 119.914 -0.278 0.000 2.769 240 V HA 0.958 5.077 4.120 -0.001 0.000 0.312 240 V C -0.506 175.319 176.094 -0.448 0.000 1.061 240 V CA -0.575 61.457 62.300 -0.445 0.000 0.931 240 V CB 1.805 33.383 31.823 -0.409 0.000 1.010 240 V HN 0.834 nan 8.190 nan 0.000 0.433 241 S N 3.851 119.167 115.700 -0.640 0.000 2.547 241 S HA 0.781 5.250 4.470 -0.001 0.000 0.270 241 S C -1.477 172.819 174.600 -0.506 0.000 1.150 241 S CA -0.748 57.196 58.200 -0.427 0.000 0.850 241 S CB 1.730 64.799 63.200 -0.219 0.000 1.118 241 S HN 1.554 nan 8.310 nan 0.000 0.461 242 L N 2.367 123.416 121.223 -0.290 0.000 2.333 242 L HA 0.651 4.991 4.340 -0.001 0.000 0.280 242 L C -0.739 176.107 176.870 -0.040 0.000 1.004 242 L CA -0.714 54.008 54.840 -0.196 0.000 0.820 242 L CB 1.685 43.564 42.059 -0.301 0.000 1.247 242 L HN 0.732 nan 8.230 nan 0.000 0.416 243 V N 6.599 126.558 119.914 0.075 0.000 2.557 243 V HA 0.053 4.172 4.120 -0.001 0.000 0.301 243 V C 0.822 176.999 176.094 0.138 0.000 1.026 243 V CA 0.441 62.835 62.300 0.156 0.000 1.137 243 V CB -0.109 31.895 31.823 0.301 0.000 0.917 243 V HN 1.018 nan 8.190 nan 0.000 0.484 244 N N 1.938 120.658 118.700 0.034 0.000 2.778 244 N HA -0.184 4.556 4.740 -0.001 0.000 0.249 244 N C -0.353 174.956 175.510 -0.334 0.000 1.069 244 N CA 1.402 54.371 53.050 -0.136 0.000 0.831 244 N CB -1.365 37.015 38.487 -0.177 0.000 1.142 244 N HN 0.953 nan 8.380 nan 0.000 0.573 245 H N -2.019 116.939 119.070 -0.188 0.000 2.821 245 H HA 0.623 5.178 4.556 -0.001 0.000 0.373 245 H C 0.229 175.487 175.328 -0.116 0.000 1.165 245 H CA -0.189 55.762 56.048 -0.161 0.000 1.154 245 H CB 1.356 31.002 29.762 -0.195 0.000 1.765 245 H HN 0.088 nan 8.280 nan 0.000 0.549 246 T N -0.413 114.163 114.554 0.036 0.000 2.944 246 T HA 0.670 5.020 4.350 -0.001 0.000 0.284 246 T C -0.000 174.701 174.700 0.002 0.000 1.010 246 T CA -1.026 61.073 62.100 -0.001 0.000 1.025 246 T CB 1.054 69.915 68.868 -0.011 0.000 1.079 246 T HN 0.393 nan 8.240 nan 0.000 0.516 247 M N 1.604 121.190 119.600 -0.022 0.000 2.259 247 M HA 0.343 4.822 4.480 -0.001 0.000 0.304 247 M C -0.868 175.415 176.300 -0.028 0.000 1.019 247 M CA -0.605 54.679 55.300 -0.028 0.000 0.922 247 M CB 2.565 35.136 32.600 -0.048 0.000 1.600 247 M HN 0.662 nan 8.290 nan 0.000 0.433 248 T N 2.891 117.438 114.554 -0.011 0.000 2.781 248 T HA 0.360 4.709 4.350 -0.001 0.000 0.305 248 T C 0.029 174.727 174.700 -0.003 0.000 1.001 248 T CA -0.523 61.576 62.100 -0.003 0.000 0.950 248 T CB 0.486 69.365 68.868 0.018 0.000 0.955 248 T HN 0.375 nan 8.240 nan 0.000 0.471 249 V N 5.876 125.780 119.914 -0.016 0.000 2.529 249 V HA 0.125 4.245 4.120 -0.001 0.000 0.292 249 V C 1.400 177.522 176.094 0.046 0.000 1.028 249 V CA 0.246 62.551 62.300 0.008 0.000 1.074 249 V CB -0.099 31.708 31.823 -0.027 0.000 0.958 249 V HN 0.916 nan 8.190 nan 0.000 0.481 250 I N 1.835 122.439 120.570 0.057 0.000 4.227 250 I HA 0.764 4.933 4.170 -0.001 0.000 0.334 250 I C 0.600 176.748 176.117 0.053 0.000 1.341 250 I CA 0.078 61.413 61.300 0.058 0.000 1.123 250 I CB 0.536 38.571 38.000 0.058 0.000 1.097 250 I HN 0.526 nan 8.210 nan 0.000 0.399 251 A N 1.436 124.296 122.820 0.067 0.000 2.566 251 A HA 0.857 5.177 4.320 -0.001 0.000 0.297 251 A C -1.184 176.450 177.584 0.083 0.000 1.059 251 A CA -0.149 51.904 52.037 0.027 0.000 0.691 251 A CB 1.292 20.258 19.000 -0.056 0.000 1.282 251 A HN 0.352 nan 8.150 nan 0.000 0.401 252 A N 2.559 125.381 122.820 0.003 0.000 2.291 252 A HA 0.723 5.042 4.320 -0.001 0.000 0.311 252 A C 0.239 177.695 177.584 -0.214 0.000 1.224 252 A CA 0.192 52.153 52.037 -0.126 0.000 0.821 252 A CB 0.055 19.072 19.000 0.028 0.000 1.172 252 A HN 1.147 nan 8.150 nan 0.000 0.494 253 D N 0.716 120.920 120.400 -0.327 0.000 3.845 253 D HA -0.259 4.380 4.640 -0.001 0.000 0.144 253 D C 0.649 176.833 176.300 -0.193 0.000 0.889 253 D CA 2.064 55.927 54.000 -0.229 0.000 1.096 253 D CB -0.591 40.114 40.800 -0.159 0.000 0.515 253 D HN 0.624 nan 8.370 nan 0.000 0.525 254 M N 0.719 120.203 119.600 -0.193 0.000 2.655 254 M HA 0.281 4.760 4.480 -0.001 0.000 0.311 254 M C -0.868 175.192 176.300 -0.399 0.000 1.229 254 M CA 0.070 55.197 55.300 -0.288 0.000 0.972 254 M CB 0.578 32.999 32.600 -0.298 0.000 1.366 254 M HN 0.034 nan 8.290 nan 0.000 0.500 255 V N 1.418 121.168 119.914 -0.274 0.000 2.378 255 V HA 0.403 4.522 4.120 -0.001 0.000 0.288 255 V C -2.427 173.559 176.094 -0.181 0.000 1.016 255 V CA -1.736 60.425 62.300 -0.233 0.000 0.840 255 V CB 1.380 33.181 31.823 -0.036 0.000 0.994 255 V HN 0.189 nan 8.190 nan 0.000 0.431 256 P HA 0.199 nan 4.420 nan 0.000 0.271 256 P C -0.546 176.763 177.300 0.015 0.000 1.226 256 P CA 0.235 63.278 63.100 -0.095 0.000 0.765 256 P CB 0.800 32.450 31.700 -0.085 0.000 0.835 257 V N 1.087 121.026 119.914 0.042 0.000 3.046 257 V HA 0.569 4.689 4.120 -0.001 0.000 0.316 257 V C -0.076 176.061 176.094 0.072 0.000 1.104 257 V CA -1.150 61.191 62.300 0.069 0.000 1.006 257 V CB 1.920 33.794 31.823 0.084 0.000 1.058 257 V HN 0.239 nan 8.190 nan 0.000 0.440 258 N N 1.596 120.338 118.700 0.071 0.000 2.479 258 N HA 0.342 5.081 4.740 -0.001 0.000 0.257 258 N C 0.402 175.947 175.510 0.059 0.000 1.232 258 N CA 0.554 53.643 53.050 0.065 0.000 0.920 258 N CB 1.190 39.712 38.487 0.058 0.000 1.105 258 N HN 1.236 nan 8.380 nan 0.000 0.444 259 A N 2.237 125.090 122.820 0.056 0.000 2.573 259 A HA -0.003 4.317 4.320 -0.001 0.000 0.250 259 A C 0.416 178.021 177.584 0.036 0.000 1.049 259 A CA 0.576 52.642 52.037 0.047 0.000 0.767 259 A CB -0.388 18.641 19.000 0.048 0.000 0.965 259 A HN 0.730 nan 8.150 nan 0.000 0.514 260 M N 4.121 123.736 119.600 0.026 0.000 2.060 260 M HA 0.221 4.700 4.480 -0.001 0.000 0.275 260 M C -0.734 175.563 176.300 -0.006 0.000 0.919 260 M CA -0.137 55.171 55.300 0.013 0.000 0.970 260 M CB 1.235 33.844 32.600 0.015 0.000 1.670 260 M HN 0.633 nan 8.290 nan 0.000 0.440 261 T N 4.516 119.068 114.554 -0.003 0.000 2.761 261 T HA 0.478 4.827 4.350 -0.001 0.000 0.296 261 T C -0.128 174.560 174.700 -0.019 0.000 0.934 261 T CA -0.421 61.673 62.100 -0.010 0.000 1.091 261 T CB 0.301 69.168 68.868 -0.002 0.000 0.896 261 T HN 0.565 nan 8.240 nan 0.000 0.515 262 V N 0.643 120.538 119.914 -0.032 0.000 3.102 262 V HA 0.593 4.712 4.120 -0.001 0.000 0.312 262 V C -0.069 176.007 176.094 -0.031 0.000 1.135 262 V CA -0.920 61.362 62.300 -0.031 0.000 1.022 262 V CB 2.322 34.118 31.823 -0.046 0.000 1.056 262 V HN 0.531 nan 8.190 nan 0.000 0.436 263 D N 1.018 121.406 120.400 -0.020 0.000 2.277 263 D HA 0.166 4.806 4.640 -0.001 0.000 0.209 263 D C 0.865 177.147 176.300 -0.029 0.000 0.970 263 D CA 1.614 55.599 54.000 -0.024 0.000 0.874 263 D CB 0.730 41.519 40.800 -0.018 0.000 0.982 263 D HN 0.893 nan 8.370 nan 0.000 0.504 264 S N -0.715 114.990 115.700 0.008 0.000 2.570 264 S HA 0.674 5.144 4.470 -0.001 0.000 0.270 264 S C -1.049 173.544 174.600 -0.012 0.000 1.149 264 S CA -0.953 57.253 58.200 0.010 0.000 0.837 264 S CB 2.100 65.382 63.200 0.137 0.000 1.124 264 S HN -0.001 nan 8.310 nan 0.000 0.465 265 L N 1.603 122.714 121.223 -0.186 0.000 2.401 265 L HA 0.641 4.980 4.340 -0.001 0.000 0.266 265 L C -1.473 175.169 176.870 -0.380 0.000 0.991 265 L CA -0.763 53.897 54.840 -0.301 0.000 0.818 265 L CB 2.111 43.967 42.059 -0.338 0.000 1.321 265 L HN 0.825 nan 8.230 nan 0.000 0.413 266 F N 3.529 123.185 119.950 -0.490 0.000 2.415 266 F HA 0.595 5.121 4.527 -0.001 0.000 0.348 266 F C -1.047 174.780 175.800 0.044 0.000 1.119 266 F CA -0.470 57.350 58.000 -0.299 0.000 1.069 266 F CB 0.948 39.804 39.000 -0.240 0.000 1.124 266 F HN 0.168 nan 8.300 nan 0.000 0.472 267 L N 6.762 127.569 121.223 -0.692 0.000 2.316 267 L HA 0.608 4.947 4.340 -0.001 0.000 0.280 267 L C 0.156 176.527 176.870 -0.832 0.000 1.006 267 L CA -0.330 54.230 54.840 -0.467 0.000 0.836 267 L CB 1.199 43.138 42.059 -0.201 0.000 1.221 267 L HN 0.796 nan 8.230 nan 0.000 0.418 268 A N 3.064 125.546 122.820 -0.564 0.000 2.327 268 A HA 0.532 4.851 4.320 -0.001 0.000 0.255 268 A C 0.132 177.366 177.584 -0.585 0.000 1.099 268 A CA -0.472 51.308 52.037 -0.428 0.000 0.801 268 A CB 0.371 19.411 19.000 0.066 0.000 1.062 268 A HN 0.378 nan 8.150 nan 0.000 0.496 269 V N 1.046 120.487 119.914 -0.789 0.000 2.493 269 V HA 0.392 4.511 4.120 -0.001 0.000 0.292 269 V C 1.585 177.400 176.094 -0.466 0.000 1.016 269 V CA 1.785 63.720 62.300 -0.609 0.000 1.097 269 V CB -0.284 31.254 31.823 -0.476 0.000 0.947 269 V HN 1.910 nan 8.190 nan 0.000 0.479 270 G N 3.527 111.963 108.800 -0.608 0.000 2.217 270 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.246 270 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.246 270 G C 0.237 174.869 174.900 -0.446 0.000 0.990 270 G CA 0.154 44.907 45.100 -0.579 0.000 0.627 270 G HN 0.622 nan 8.290 nan 0.000 0.522 271 Q N -0.028 119.536 119.800 -0.393 0.000 2.354 271 Q HA 0.675 5.014 4.340 -0.001 0.000 0.244 271 Q C 0.277 176.028 176.000 -0.414 0.000 0.969 271 Q CA 0.054 55.652 55.803 -0.341 0.000 0.885 271 Q CB 0.610 29.168 28.738 -0.300 0.000 1.241 271 Q HN 0.396 nan 8.270 nan 0.000 0.461 272 R N 0.659 120.901 120.500 -0.430 0.000 2.771 272 R HA 0.538 4.877 4.340 -0.001 0.000 0.274 272 R C -1.713 174.297 176.300 -0.483 0.000 0.987 272 R CA -0.565 55.321 56.100 -0.357 0.000 0.908 272 R CB 1.361 31.508 30.300 -0.255 0.000 1.213 272 R HN 0.466 nan 8.270 nan 0.000 0.468 273 Y N -0.135 120.115 120.300 -0.083 0.000 2.362 273 Y HA 0.285 4.834 4.550 -0.002 0.000 0.326 273 Y C -1.027 174.841 175.900 -0.053 0.000 1.083 273 Y CA -1.152 56.915 58.100 -0.055 0.000 1.073 273 Y CB 2.103 40.542 38.460 -0.036 0.000 1.211 273 Y HN 0.532 nan 8.280 nan 0.000 0.433 274 D N 3.013 123.478 120.400 0.110 0.000 2.313 274 D HA 0.508 5.147 4.640 -0.001 0.000 0.239 274 D C -0.628 175.688 176.300 0.027 0.000 1.142 274 D CA -0.095 53.915 54.000 0.018 0.000 0.847 274 D CB 1.135 41.913 40.800 -0.037 0.000 1.082 274 D HN 0.302 nan 8.370 nan 0.000 0.480 275 V N -0.008 119.904 119.914 -0.004 0.000 2.919 275 V HA 0.728 4.847 4.120 -0.001 0.000 0.316 275 V C -0.414 175.649 176.094 -0.051 0.000 1.077 275 V CA -0.884 61.408 62.300 -0.013 0.000 0.977 275 V CB 2.037 33.860 31.823 -0.000 0.000 1.039 275 V HN 0.170 nan 8.190 nan 0.000 0.441 276 V N 4.013 123.913 119.914 -0.023 0.000 2.378 276 V HA 0.520 4.639 4.120 -0.001 0.000 0.288 276 V C -0.225 175.884 176.094 0.025 0.000 1.016 276 V CA -0.228 62.068 62.300 -0.006 0.000 0.840 276 V CB 1.241 33.084 31.823 0.034 0.000 0.994 276 V HN 0.774 nan 8.190 nan 0.000 0.431 277 I N 4.127 124.724 120.570 0.045 0.000 2.362 277 I HA 0.407 4.576 4.170 -0.001 0.000 0.289 277 I C -0.689 175.509 176.117 0.135 0.000 0.994 277 I CA -0.537 60.796 61.300 0.055 0.000 1.158 277 I CB 1.718 39.705 38.000 -0.022 0.000 1.315 277 I HN 0.483 nan 8.210 nan 0.000 0.451 278 D N 5.945 126.427 120.400 0.136 0.000 2.280 278 D HA 0.274 4.913 4.640 -0.001 0.000 0.243 278 D C 0.332 176.752 176.300 0.200 0.000 1.129 278 D CA -0.179 53.913 54.000 0.154 0.000 0.848 278 D CB 1.951 42.812 40.800 0.101 0.000 1.107 278 D HN 0.560 nan 8.370 nan 0.000 0.471 279 A N 1.929 124.861 122.820 0.186 0.000 3.077 279 A HA 0.157 4.476 4.320 -0.001 0.000 0.255 279 A C 1.351 179.105 177.584 0.283 0.000 1.728 279 A CA -0.259 51.859 52.037 0.135 0.000 1.383 279 A CB -0.579 18.346 19.000 -0.126 0.000 1.097 279 A HN 0.425 nan 8.150 nan 0.000 0.634 280 S N -0.325 115.515 115.700 0.233 0.000 2.528 280 S HA 0.124 4.594 4.470 -0.001 0.000 0.219 280 S C 1.064 175.712 174.600 0.079 0.000 0.985 280 S CA -0.216 58.061 58.200 0.128 0.000 0.914 280 S CB 0.243 63.471 63.200 0.047 0.000 0.776 280 S HN 0.544 nan 8.310 nan 0.000 0.526 281 R N 1.720 122.264 120.500 0.073 0.000 2.531 281 R HA 0.678 5.017 4.340 -0.001 0.000 0.260 281 R C 0.361 176.591 176.300 -0.117 0.000 1.144 281 R CA -0.113 55.923 56.100 -0.107 0.000 1.171 281 R CB -0.269 29.781 30.300 -0.417 0.000 1.199 281 R HN 0.321 nan 8.270 nan 0.000 0.594 282 A N 1.998 124.738 122.820 -0.134 0.000 2.477 282 A HA 0.274 4.593 4.320 -0.001 0.000 0.246 282 A C -1.966 175.388 177.584 -0.384 0.000 1.078 282 A CA -0.983 50.960 52.037 -0.157 0.000 0.770 282 A CB -0.486 18.467 19.000 -0.077 0.000 1.011 282 A HN 0.289 nan 8.150 nan 0.000 0.494 283 P HA 0.164 nan 4.420 nan 0.000 0.260 283 P C -0.624 176.482 177.300 -0.323 0.000 1.207 283 P CA 0.806 63.681 63.100 -0.375 0.000 0.780 283 P CB 0.409 32.052 31.700 -0.096 0.000 0.789 284 D N 2.260 122.413 120.400 -0.411 0.000 2.779 284 D HA 0.220 4.859 4.640 -0.001 0.000 0.331 284 D C -1.161 174.939 176.300 -0.333 0.000 1.331 284 D CA -0.488 53.260 54.000 -0.420 0.000 0.866 284 D CB 1.186 41.559 40.800 -0.712 0.000 1.409 284 D HN 0.034 nan 8.370 nan 0.000 0.486 285 N N 0.709 119.161 118.700 -0.413 0.000 2.408 285 N HA 0.347 5.086 4.740 -0.001 0.000 0.280 285 N C -1.110 174.112 175.510 -0.480 0.000 1.002 285 N CA -0.105 52.800 53.050 -0.242 0.000 0.907 285 N CB 1.064 39.419 38.487 -0.221 0.000 1.161 285 N HN 0.258 nan 8.380 nan 0.000 0.488 286 Y N -0.064 120.221 120.300 -0.024 0.000 2.446 286 Y HA 0.347 4.896 4.550 -0.001 0.000 0.345 286 Y C -0.133 175.784 175.900 0.028 0.000 0.984 286 Y CA -0.916 57.175 58.100 -0.014 0.000 1.058 286 Y CB 1.379 39.913 38.460 0.123 0.000 1.220 286 Y HN 0.403 nan 8.280 nan 0.000 0.455 287 W N 3.436 124.857 121.300 0.202 0.000 2.266 287 W HA 0.286 4.946 4.660 -0.001 0.000 0.317 287 W C -0.585 176.013 176.519 0.131 0.000 1.310 287 W CA -0.475 56.943 57.345 0.122 0.000 1.207 287 W CB 0.503 29.977 29.460 0.023 0.000 1.199 287 W HN 0.382 nan 8.180 nan 0.000 0.544 288 F N 4.915 125.056 119.950 0.318 0.000 2.361 288 F HA 0.356 4.882 4.527 -0.001 0.000 0.364 288 F C -0.368 175.492 175.800 0.100 0.000 1.120 288 F CA -0.828 57.225 58.000 0.087 0.000 1.102 288 F CB 0.098 39.194 39.000 0.161 0.000 1.183 288 F HN 0.245 nan 8.300 nan 0.000 0.476 289 N N 4.158 122.687 118.700 -0.284 0.000 2.438 289 N HA 0.467 5.206 4.740 -0.001 0.000 0.282 289 N C -1.367 173.911 175.510 -0.387 0.000 1.037 289 N CA -0.547 52.354 53.050 -0.248 0.000 0.942 289 N CB 2.029 40.411 38.487 -0.175 0.000 1.136 289 N HN 0.296 nan 8.380 nan 0.000 0.481 290 V N 2.220 121.967 119.914 -0.278 0.000 2.328 290 V HA 0.444 4.563 4.120 -0.001 0.000 0.278 290 V C 0.182 176.071 176.094 -0.342 0.000 1.021 290 V CA -0.399 61.675 62.300 -0.378 0.000 0.838 290 V CB 0.628 32.173 31.823 -0.463 0.000 0.999 290 V HN 0.866 nan 8.190 nan 0.000 0.447 291 T N 1.840 116.177 114.554 -0.361 0.000 2.926 291 T HA 0.808 5.157 4.350 -0.001 0.000 0.289 291 T C -0.918 173.514 174.700 -0.447 0.000 1.054 291 T CA -0.660 61.280 62.100 -0.266 0.000 1.015 291 T CB 1.925 70.750 68.868 -0.072 0.000 1.167 291 T HN 0.105 nan 8.240 nan 0.000 0.526 292 F N -0.346 119.643 119.950 0.065 0.000 2.520 292 F HA 0.763 5.290 4.527 -0.001 0.000 0.322 292 F C 0.816 176.669 175.800 0.089 0.000 1.103 292 F CA -0.408 57.638 58.000 0.075 0.000 0.926 292 F CB 2.415 41.407 39.000 -0.015 0.000 1.154 292 F HN 1.089 nan 8.300 nan 0.000 0.453 293 G N -0.300 108.681 108.800 0.302 0.000 3.211 293 G HA2 0.490 4.450 3.960 -0.001 0.000 0.262 293 G HA3 0.490 4.450 3.960 -0.001 0.000 0.262 293 G C 0.475 175.473 174.900 0.162 0.000 1.352 293 G CA -0.598 44.624 45.100 0.202 0.000 1.004 293 G HN 1.258 nan 8.290 nan 0.000 0.559 294 G N -1.026 107.826 108.800 0.086 0.000 2.168 294 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.257 294 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.257 294 G C 0.643 175.582 174.900 0.064 0.000 0.997 294 G CA 0.836 45.963 45.100 0.045 0.000 0.708 294 G HN 1.390 nan 8.290 nan 0.000 0.520 295 Q N -3.172 116.679 119.800 0.085 0.000 2.439 295 Q HA -0.216 4.124 4.340 -0.001 0.000 0.325 295 Q C 1.437 177.501 176.000 0.106 0.000 1.372 295 Q CA 2.070 57.927 55.803 0.090 0.000 0.909 295 Q CB -2.401 26.378 28.738 0.069 0.000 1.167 295 Q HN 2.458 nan 8.270 nan 0.000 0.418 296 A N -2.067 120.822 122.820 0.114 0.000 2.861 296 A HA -0.272 4.047 4.320 -0.001 0.000 0.261 296 A C 1.605 179.252 177.584 0.104 0.000 1.351 296 A CA 2.109 54.214 52.037 0.112 0.000 0.904 296 A CB -1.818 17.350 19.000 0.279 0.000 1.076 296 A HN 1.410 nan 8.150 nan 0.000 0.729 297 A N -1.064 121.801 122.820 0.075 0.000 2.066 297 A HA 0.163 4.482 4.320 -0.001 0.000 0.218 297 A C 1.718 179.298 177.584 -0.006 0.000 1.157 297 A CA 1.897 53.968 52.037 0.057 0.000 0.670 297 A CB -0.953 18.071 19.000 0.040 0.000 0.804 297 A HN 2.153 nan 8.150 nan 0.000 0.453 298 c N -3.203 115.367 118.600 -0.049 0.000 2.778 298 c HA 0.656 5.225 4.570 -0.001 0.000 0.252 298 c C 0.778 174.838 174.090 -0.049 0.000 1.693 298 c CA -0.531 55.671 56.329 -0.212 0.000 1.724 298 c CB -0.967 41.215 42.510 -0.547 0.000 3.153 298 c HN 1.685 nan 8.230 nan 0.000 0.493 299 G N -0.542 108.231 108.800 -0.044 0.000 2.497 299 G HA2 0.508 4.467 3.960 -0.001 0.000 0.686 299 G HA3 0.508 4.467 3.960 -0.001 0.000 0.686 299 G C -0.477 173.912 174.900 -0.852 0.000 1.288 299 G CA -0.024 44.941 45.100 -0.225 0.000 0.899 299 G HN 2.094 nan 8.290 nan 0.000 0.608 300 G N -1.428 106.409 108.800 -1.605 0.000 2.576 300 G HA2 0.869 4.828 3.960 -0.001 0.000 0.290 300 G HA3 0.869 4.828 3.960 -0.001 0.000 0.290 300 G C -0.961 172.748 174.900 -1.985 0.000 1.442 300 G CA 0.896 44.341 45.100 -2.759 0.000 0.792 300 G HN 1.858 nan 8.290 nan 0.000 0.491 301 S N -1.237 113.688 115.700 -1.291 0.000 2.570 301 S HA 0.541 5.010 4.470 -0.001 0.000 0.286 301 S C 0.926 175.516 174.600 -0.017 0.000 1.099 301 S CA -0.758 57.223 58.200 -0.365 0.000 0.913 301 S CB 1.531 64.715 63.200 -0.027 0.000 1.085 301 S HN 0.513 nan 8.310 nan 0.000 0.480 302 L N 2.121 123.378 121.223 0.057 0.000 2.478 302 L HA 0.164 4.503 4.340 -0.001 0.000 0.223 302 L C 0.818 177.708 176.870 0.033 0.000 1.140 302 L CA 0.327 55.217 54.840 0.083 0.000 0.842 302 L CB -0.249 41.833 42.059 0.038 0.000 0.953 302 L HN 0.519 nan 8.230 nan 0.000 0.452 303 N N 1.254 119.963 118.700 0.015 0.000 2.420 303 N HA 0.100 4.839 4.740 -0.001 0.000 0.249 303 N C -1.590 173.906 175.510 -0.023 0.000 1.033 303 N CA -2.034 51.021 53.050 0.008 0.000 0.944 303 N CB 1.389 39.890 38.487 0.023 0.000 1.113 303 N HN -0.098 nan 8.380 nan 0.000 0.502 304 P HA -0.062 nan 4.420 nan 0.000 0.221 304 P C -0.530 176.426 177.300 -0.574 0.000 1.150 304 P CA 1.263 64.165 63.100 -0.330 0.000 0.800 304 P CB 0.301 31.744 31.700 -0.430 0.000 0.787 305 H N -0.845 118.228 119.070 0.005 0.000 2.439 305 H HA 0.378 4.933 4.556 -0.001 0.000 0.228 305 H C -2.494 172.789 175.328 -0.074 0.000 1.423 305 H CA -2.285 53.723 56.048 -0.067 0.000 1.386 305 H CB 0.237 29.909 29.762 -0.149 0.000 1.641 305 H HN 0.172 nan 8.280 nan 0.000 0.508 306 P HA 0.324 nan 4.420 nan 0.000 0.271 306 P C -0.395 176.909 177.300 0.006 0.000 1.226 306 P CA 0.072 63.180 63.100 0.012 0.000 0.765 306 P CB 1.176 32.850 31.700 -0.042 0.000 0.835 307 A N 2.340 125.230 122.820 0.118 0.000 2.609 307 A HA 0.857 5.176 4.320 -0.001 0.000 0.291 307 A C -1.537 176.301 177.584 0.422 0.000 1.096 307 A CA -0.461 51.692 52.037 0.193 0.000 0.684 307 A CB 1.495 20.456 19.000 -0.065 0.000 1.282 307 A HN 0.508 nan 8.150 nan 0.000 0.412 308 A N -0.017 123.117 122.820 0.525 0.000 2.430 308 A HA 0.848 5.167 4.320 -0.001 0.000 0.300 308 A C -1.007 176.917 177.584 0.566 0.000 1.124 308 A CA -0.522 51.834 52.037 0.531 0.000 0.766 308 A CB 0.866 20.184 19.000 0.531 0.000 1.328 308 A HN 0.823 nan 8.150 nan 0.000 0.424 309 I N 0.573 121.362 120.570 0.365 0.000 2.354 309 I HA 0.352 4.521 4.170 -0.001 0.000 0.292 309 I C -1.376 174.885 176.117 0.241 0.000 0.989 309 I CA -0.147 61.273 61.300 0.201 0.000 1.188 309 I CB 1.348 39.327 38.000 -0.035 0.000 1.342 309 I HN 0.475 nan 8.210 nan 0.000 0.457 310 F N 4.909 124.897 119.950 0.063 0.000 2.308 310 F HA 0.274 4.800 4.527 -0.001 0.000 0.370 310 F C 0.283 176.157 175.800 0.123 0.000 1.100 310 F CA -0.618 57.399 58.000 0.029 0.000 1.108 310 F CB 0.310 39.296 39.000 -0.024 0.000 1.293 310 F HN 0.421 nan 8.300 nan 0.000 0.478 311 H N 3.092 122.179 119.070 0.028 0.000 2.562 311 H HA 0.335 4.890 4.556 -0.001 0.000 0.314 311 H C -1.282 174.111 175.328 0.108 0.000 1.079 311 H CA -0.394 55.692 56.048 0.063 0.000 1.349 311 H CB 0.534 30.276 29.762 -0.034 0.000 1.432 311 H HN 0.402 nan 8.280 nan 0.000 0.479 312 Y N 3.248 123.256 120.300 -0.487 0.000 2.316 312 Y HA 0.346 4.895 4.550 -0.001 0.000 0.331 312 Y C 0.553 176.072 175.900 -0.634 0.000 1.083 312 Y CA -0.190 57.694 58.100 -0.360 0.000 1.206 312 Y CB 0.848 39.225 38.460 -0.137 0.000 1.195 312 Y HN 0.854 nan 8.280 nan 0.000 0.497 313 A N 2.561 125.263 122.820 -0.196 0.000 2.524 313 A HA 0.425 4.744 4.320 -0.001 0.000 0.250 313 A C 1.350 178.922 177.584 -0.019 0.000 1.078 313 A CA 0.779 52.768 52.037 -0.080 0.000 0.761 313 A CB -0.859 18.139 19.000 -0.002 0.000 1.012 313 A HN 1.467 nan 8.150 nan 0.000 0.500 314 G N 0.863 109.683 108.800 0.033 0.000 2.234 314 G HA2 0.143 4.102 3.960 -0.001 0.000 0.235 314 G HA3 0.143 4.102 3.960 -0.001 0.000 0.235 314 G C 0.636 175.557 174.900 0.036 0.000 0.997 314 G CA 0.425 45.551 45.100 0.044 0.000 0.623 314 G HN 2.127 nan 8.290 nan 0.000 0.514 315 A N 1.410 124.224 122.820 -0.010 0.000 2.287 315 A HA 0.771 5.090 4.320 -0.001 0.000 0.273 315 A C -1.075 176.592 177.584 0.138 0.000 1.091 315 A CA -0.469 51.567 52.037 -0.001 0.000 0.817 315 A CB 0.357 19.296 19.000 -0.103 0.000 1.069 315 A HN 0.310 nan 8.150 nan 0.000 0.492 316 P HA 0.264 nan 4.420 nan 0.000 0.272 316 P C 0.464 177.827 177.300 0.105 0.000 1.240 316 P CA 0.131 63.276 63.100 0.075 0.000 0.791 316 P CB 0.490 32.193 31.700 0.005 0.000 0.978 317 G N -0.903 107.900 108.800 0.005 0.000 2.494 317 G HA2 0.517 4.476 3.960 -0.001 0.000 0.270 317 G HA3 0.517 4.476 3.960 -0.001 0.000 0.270 317 G C 0.247 175.098 174.900 -0.081 0.000 1.423 317 G CA -0.031 45.015 45.100 -0.089 0.000 1.055 317 G HN 0.868 nan 8.290 nan 0.000 0.536 318 G N -2.210 106.532 108.800 -0.098 0.000 2.728 318 G HA2 -0.061 3.898 3.960 -0.001 0.000 0.294 318 G HA3 -0.061 3.898 3.960 -0.001 0.000 0.294 318 G C -0.273 174.539 174.900 -0.147 0.000 1.342 318 G CA -0.311 44.736 45.100 -0.087 0.000 0.866 318 G HN 0.848 nan 8.290 nan 0.000 0.534 319 L N 0.969 122.100 121.223 -0.154 0.000 2.395 319 L HA 0.418 4.757 4.340 -0.001 0.000 0.269 319 L C -1.688 174.908 176.870 -0.457 0.000 1.133 319 L CA -1.692 52.958 54.840 -0.316 0.000 0.812 319 L CB 0.925 42.920 42.059 -0.107 0.000 1.125 319 L HN 0.341 nan 8.230 nan 0.000 0.452 320 P HA 0.031 nan 4.420 nan 0.000 0.268 320 P C 0.516 177.540 177.300 -0.459 0.000 1.205 320 P CA -0.103 62.492 63.100 -0.842 0.000 0.771 320 P CB 0.695 31.485 31.700 -1.517 0.000 0.858 321 T N -2.812 111.587 114.554 -0.258 0.000 3.037 321 T HA 0.051 4.400 4.350 -0.001 0.000 0.251 321 T C 0.465 175.176 174.700 0.018 0.000 1.079 321 T CA 0.214 62.270 62.100 -0.073 0.000 1.067 321 T CB -0.183 68.636 68.868 -0.082 0.000 0.948 321 T HN 0.220 nan 8.240 nan 0.000 0.496 322 D N 1.584 121.987 120.400 0.006 0.000 2.359 322 D HA 0.233 4.872 4.640 -0.001 0.000 0.230 322 D C 0.774 177.233 176.300 0.264 0.000 1.118 322 D CA -0.351 53.708 54.000 0.098 0.000 0.844 322 D CB 1.338 42.181 40.800 0.071 0.000 1.059 322 D HN 0.293 nan 8.370 nan 0.000 0.493 323 E N 2.064 122.388 120.200 0.208 0.000 2.274 323 E HA 0.117 4.466 4.350 -0.001 0.000 0.194 323 E C 1.202 177.860 176.600 0.097 0.000 0.996 323 E CA 0.460 56.949 56.400 0.149 0.000 0.840 323 E CB 0.034 29.734 29.700 -0.000 0.000 0.772 323 E HN 0.752 nan 8.360 nan 0.000 0.491 324 G N 1.111 109.973 108.800 0.102 0.000 2.782 324 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.228 324 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.228 324 G C 0.023 174.941 174.900 0.029 0.000 1.372 324 G CA -0.237 44.908 45.100 0.074 0.000 0.862 324 G HN 0.236 nan 8.290 nan 0.000 0.547 325 T N -0.192 114.375 114.554 0.022 0.000 2.867 325 T HA 0.730 5.079 4.350 -0.001 0.000 0.282 325 T C -1.803 172.899 174.700 0.003 0.000 1.000 325 T CA -0.736 61.370 62.100 0.010 0.000 1.042 325 T CB 1.961 70.834 68.868 0.008 0.000 0.973 325 T HN 0.804 nan 8.240 nan 0.000 0.465 326 P HA 0.265 nan 4.420 nan 0.000 0.268 326 P C -2.200 175.106 177.300 0.009 0.000 1.204 326 P CA -0.935 62.171 63.100 0.011 0.000 0.768 326 P CB -0.224 31.493 31.700 0.027 0.000 0.842 327 P HA 0.035 nan 4.420 nan 0.000 0.275 327 P C -0.077 177.235 177.300 0.019 0.000 1.266 327 P CA -0.323 62.789 63.100 0.019 0.000 0.793 327 P CB 0.334 32.058 31.700 0.039 0.000 1.074 328 V N -2.283 117.618 119.914 -0.022 0.000 2.843 328 V HA 0.118 4.237 4.120 -0.001 0.000 0.305 328 V C 0.485 176.529 176.094 -0.083 0.000 1.065 328 V CA -0.414 61.830 62.300 -0.093 0.000 1.116 328 V CB -0.133 31.575 31.823 -0.193 0.000 0.968 328 V HN 0.475 nan 8.190 nan 0.000 0.487 329 D N 2.193 122.558 120.400 -0.059 0.000 2.346 329 D HA 0.079 4.718 4.640 -0.001 0.000 0.260 329 D C 1.011 177.265 176.300 -0.077 0.000 1.252 329 D CA 0.114 54.114 54.000 0.001 0.000 0.895 329 D CB 0.298 41.104 40.800 0.009 0.000 1.097 329 D HN 0.777 nan 8.370 nan 0.000 0.489 330 H N 3.212 122.268 119.070 -0.023 0.000 2.556 330 H HA -0.019 4.536 4.556 -0.002 0.000 0.268 330 H C 0.448 175.633 175.328 -0.237 0.000 0.996 330 H CA 0.299 56.283 56.048 -0.106 0.000 1.157 330 H CB 0.534 30.262 29.762 -0.055 0.000 1.355 330 H HN 0.523 nan 8.280 nan 0.000 0.597 331 Q N -0.903 118.852 119.800 -0.075 0.000 2.453 331 Q HA -0.188 4.151 4.340 -0.001 0.000 0.294 331 Q C 0.605 176.466 176.000 -0.232 0.000 1.295 331 Q CA 0.825 56.561 55.803 -0.111 0.000 0.853 331 Q CB -2.630 26.060 28.738 -0.080 0.000 1.193 331 Q HN 0.704 nan 8.270 nan 0.000 0.461 332 c N -1.675 116.688 118.600 -0.395 0.000 4.356 332 c HA -0.228 4.341 4.570 -0.001 0.000 0.296 332 c C 0.627 174.269 174.090 -0.746 0.000 1.424 332 c CA 0.950 56.932 56.329 -0.578 0.000 2.000 332 c CB -2.222 40.167 42.510 -0.202 0.000 1.262 332 c HN 0.496 nan 8.230 nan 0.000 0.789 333 L N 1.249 121.888 121.223 -0.974 0.000 2.410 333 L HA 0.526 4.865 4.340 -0.001 0.000 0.270 333 L C 0.127 176.775 176.870 -0.371 0.000 0.983 333 L CA -0.467 54.085 54.840 -0.480 0.000 0.822 333 L CB 1.379 43.304 42.059 -0.224 0.000 1.285 333 L HN 0.230 nan 8.230 nan 0.000 0.409 334 D N 0.067 120.516 120.400 0.082 0.000 2.329 334 D HA 0.079 4.718 4.640 -0.001 0.000 0.246 334 D C 0.062 176.493 176.300 0.218 0.000 1.111 334 D CA -0.400 53.816 54.000 0.359 0.000 0.941 334 D CB 1.472 42.541 40.800 0.449 0.000 1.169 334 D HN 0.311 nan 8.370 nan 0.000 0.441 335 T N 0.306 115.011 114.554 0.252 0.000 2.884 335 T HA 0.207 4.556 4.350 -0.001 0.000 0.298 335 T C 0.960 175.754 174.700 0.156 0.000 0.998 335 T CA -0.534 61.667 62.100 0.168 0.000 1.124 335 T CB -0.023 68.926 68.868 0.135 0.000 0.931 335 T HN 0.342 nan 8.240 nan 0.000 0.531 336 L N 3.799 125.083 121.223 0.103 0.000 2.741 336 L HA 0.268 4.607 4.340 -0.001 0.000 0.237 336 L C 1.065 177.983 176.870 0.079 0.000 1.178 336 L CA -0.085 54.812 54.840 0.095 0.000 0.973 336 L CB 0.070 42.168 42.059 0.064 0.000 1.255 336 L HN 0.589 nan 8.230 nan 0.000 0.498 337 D N 0.254 120.700 120.400 0.077 0.000 2.348 337 D HA -0.002 4.637 4.640 -0.001 0.000 0.211 337 D C 1.000 177.342 176.300 0.069 0.000 0.998 337 D CA 0.443 54.478 54.000 0.060 0.000 0.873 337 D CB 0.356 41.181 40.800 0.043 0.000 0.925 337 D HN 0.169 nan 8.370 nan 0.000 0.524 338 V N -0.016 119.957 119.914 0.097 0.000 2.655 338 V HA 0.309 4.428 4.120 -0.001 0.000 0.300 338 V C 0.210 176.358 176.094 0.090 0.000 1.044 338 V CA -0.387 61.976 62.300 0.106 0.000 1.095 338 V CB 0.901 32.820 31.823 0.161 0.000 0.952 338 V HN -0.111 nan 8.190 nan 0.000 0.485 339 R N 5.204 125.751 120.500 0.079 0.000 2.422 339 R HA 0.475 4.814 4.340 -0.001 0.000 0.307 339 R C -2.872 173.473 176.300 0.075 0.000 1.004 339 R CA -2.180 53.962 56.100 0.070 0.000 0.882 339 R CB 1.843 32.178 30.300 0.058 0.000 1.164 339 R HN 0.576 nan 8.270 nan 0.000 0.489 340 P HA -0.037 nan 4.420 nan 0.000 0.266 340 P C 1.099 178.455 177.300 0.093 0.000 1.195 340 P CA -0.073 63.081 63.100 0.091 0.000 0.768 340 P CB 0.955 32.718 31.700 0.104 0.000 0.838 341 V N 3.029 123.007 119.914 0.107 0.000 2.261 341 V HA -0.164 3.955 4.120 -0.001 0.000 0.246 341 V C 1.363 177.527 176.094 0.117 0.000 1.047 341 V CA 1.635 64.002 62.300 0.112 0.000 1.015 341 V CB -0.456 31.445 31.823 0.130 0.000 0.642 341 V HN 0.328 nan 8.190 nan 0.000 0.446 342 V N 3.782 123.782 119.914 0.143 0.000 2.405 342 V HA 0.221 4.340 4.120 -0.001 0.000 0.264 342 V C -1.736 174.406 176.094 0.079 0.000 1.048 342 V CA -1.388 60.977 62.300 0.109 0.000 0.966 342 V CB 0.686 32.562 31.823 0.089 0.000 1.015 342 V HN 0.395 nan 8.190 nan 0.000 0.477 343 P HA 0.418 nan 4.420 nan 0.000 0.276 343 P C -0.813 176.520 177.300 0.056 0.000 1.244 343 P CA -0.644 62.489 63.100 0.056 0.000 0.801 343 P CB 1.252 32.980 31.700 0.047 0.000 1.006 344 R N 0.193 120.716 120.500 0.040 0.000 2.673 344 R HA 0.576 4.915 4.340 -0.001 0.000 0.281 344 R C -0.807 175.452 176.300 -0.068 0.000 0.991 344 R CA -0.710 55.406 56.100 0.028 0.000 0.896 344 R CB 1.837 32.169 30.300 0.054 0.000 1.201 344 R HN 0.507 nan 8.270 nan 0.000 0.457 345 S N 1.385 117.020 115.700 -0.109 0.000 2.594 345 S HA 0.690 5.159 4.470 -0.001 0.000 0.296 345 S C -0.899 173.527 174.600 -0.290 0.000 1.124 345 S CA -0.552 57.560 58.200 -0.147 0.000 1.011 345 S CB 0.890 64.057 63.200 -0.054 0.000 1.016 345 S HN 0.369 nan 8.310 nan 0.000 0.485 346 V N 2.752 122.471 119.914 -0.325 0.000 2.841 346 V HA 0.819 4.938 4.120 -0.001 0.000 0.310 346 V C -2.808 173.214 176.094 -0.120 0.000 1.090 346 V CA -2.329 59.751 62.300 -0.366 0.000 0.930 346 V CB 1.655 33.094 31.823 -0.639 0.000 1.014 346 V HN 0.730 nan 8.190 nan 0.000 0.425 347 P HA 0.308 nan 4.420 nan 0.000 0.280 347 P C 0.450 177.740 177.300 -0.017 0.000 1.244 347 P CA -0.026 63.066 63.100 -0.013 0.000 0.784 347 P CB 1.831 33.526 31.700 -0.008 0.000 0.913 348 V N 0.050 119.949 119.914 -0.024 0.000 3.645 348 V HA 0.032 4.151 4.120 -0.001 0.000 0.275 348 V C 1.808 177.898 176.094 -0.007 0.000 1.356 348 V CA 0.524 62.811 62.300 -0.022 0.000 1.051 348 V CB -0.869 30.969 31.823 0.024 0.000 0.828 348 V HN 0.453 nan 8.190 nan 0.000 0.441 349 N N 2.981 121.672 118.700 -0.016 0.000 2.309 349 N HA -0.157 4.582 4.740 -0.001 0.000 0.182 349 N C 1.623 177.113 175.510 -0.032 0.000 1.018 349 N CA 1.781 54.827 53.050 -0.008 0.000 0.876 349 N CB -0.373 38.106 38.487 -0.014 0.000 0.972 349 N HN 0.677 nan 8.380 nan 0.000 0.434 350 S N -0.650 115.002 115.700 -0.079 0.000 2.603 350 S HA 0.074 4.543 4.470 -0.001 0.000 0.220 350 S C 0.410 174.900 174.600 -0.183 0.000 0.967 350 S CA -0.733 57.393 58.200 -0.123 0.000 0.920 350 S CB -0.723 62.399 63.200 -0.129 0.000 0.773 350 S HN 0.293 nan 8.310 nan 0.000 0.529 351 F N 3.224 122.982 119.950 -0.320 0.000 2.543 351 F HA 0.446 4.972 4.527 -0.001 0.000 0.375 351 F C -0.459 175.220 175.800 -0.201 0.000 1.075 351 F CA -0.613 57.167 58.000 -0.367 0.000 1.225 351 F CB 0.602 39.364 39.000 -0.396 0.000 1.099 351 F HN -0.083 nan 8.300 nan 0.000 0.561 352 V N 6.840 126.034 119.914 -1.201 0.000 2.577 352 V HA 0.229 4.348 4.120 -0.001 0.000 0.303 352 V C -0.341 175.016 176.094 -1.228 0.000 1.042 352 V CA -1.423 60.338 62.300 -0.899 0.000 0.872 352 V CB 1.644 33.195 31.823 -0.453 0.000 0.998 352 V HN 0.681 nan 8.190 nan 0.000 0.423 353 K N 5.465 125.342 120.400 -0.871 0.000 2.378 353 K HA 0.404 4.723 4.320 -0.001 0.000 0.288 353 K C -0.306 176.124 176.600 -0.284 0.000 1.057 353 K CA -0.077 55.900 56.287 -0.517 0.000 0.971 353 K CB 0.399 32.785 32.500 -0.190 0.000 0.975 353 K HN 0.680 nan 8.250 nan 0.000 0.475 354 R N 3.857 124.229 120.500 -0.214 0.000 2.837 354 R HA 0.231 4.571 4.340 -0.001 0.000 0.271 354 R C -2.106 174.173 176.300 -0.036 0.000 0.993 354 R CA -2.190 53.838 56.100 -0.119 0.000 0.931 354 R CB 1.470 31.688 30.300 -0.137 0.000 1.206 354 R HN 0.364 nan 8.270 nan 0.000 0.474 355 P HA -0.175 nan 4.420 nan 0.000 0.218 355 P C 0.408 177.756 177.300 0.081 0.000 1.148 355 P CA 1.318 64.443 63.100 0.042 0.000 0.822 355 P CB 0.160 31.881 31.700 0.034 0.000 0.784 356 D N -1.074 119.362 120.400 0.060 0.000 2.363 356 D HA -0.103 4.536 4.640 -0.001 0.000 0.220 356 D C 0.826 177.204 176.300 0.130 0.000 0.994 356 D CA 0.697 54.762 54.000 0.108 0.000 0.890 356 D CB -1.053 39.786 40.800 0.066 0.000 0.906 356 D HN 0.248 nan 8.370 nan 0.000 0.530 357 N N -1.176 117.559 118.700 0.058 0.000 2.143 357 N HA 0.038 4.777 4.740 -0.001 0.000 0.222 357 N C -0.735 174.910 175.510 0.226 0.000 1.264 357 N CA -0.309 52.719 53.050 -0.036 0.000 0.897 357 N CB 0.265 38.626 38.487 -0.211 0.000 1.092 357 N HN -0.150 nan 8.380 nan 0.000 0.516 358 T N 1.295 115.991 114.554 0.236 0.000 2.794 358 T HA 0.492 4.841 4.350 -0.001 0.000 0.280 358 T C -0.432 174.427 174.700 0.264 0.000 0.987 358 T CA -0.471 61.768 62.100 0.232 0.000 0.993 358 T CB 1.501 70.452 68.868 0.138 0.000 0.939 358 T HN 0.070 nan 8.240 nan 0.000 0.449 359 L N 5.376 126.764 121.223 0.275 0.000 2.408 359 L HA 0.344 4.683 4.340 -0.001 0.000 0.257 359 L C -2.529 174.452 176.870 0.184 0.000 1.053 359 L CA -2.077 52.902 54.840 0.232 0.000 0.922 359 L CB 1.231 43.462 42.059 0.287 0.000 1.261 359 L HN 0.309 nan 8.230 nan 0.000 0.458 360 P HA 0.120 nan 4.420 nan 0.000 0.281 360 P C -0.325 177.038 177.300 0.105 0.000 1.286 360 P CA -0.101 63.075 63.100 0.127 0.000 0.772 360 P CB 1.164 32.925 31.700 0.103 0.000 0.862 361 V N 3.733 123.716 119.914 0.115 0.000 2.546 361 V HA 0.666 4.785 4.120 -0.001 0.000 0.284 361 V C 0.458 176.632 176.094 0.133 0.000 1.050 361 V CA -0.056 62.304 62.300 0.100 0.000 0.981 361 V CB 0.892 32.745 31.823 0.049 0.000 0.990 361 V HN 0.662 nan 8.190 nan 0.000 0.474 362 A N 4.750 127.653 122.820 0.138 0.000 2.520 362 A HA 0.754 5.073 4.320 -0.001 0.000 0.298 362 A C -1.440 176.116 177.584 -0.046 0.000 1.051 362 A CA -0.583 51.491 52.037 0.062 0.000 0.690 362 A CB 1.523 20.528 19.000 0.009 0.000 1.281 362 A HN 0.756 nan 8.150 nan 0.000 0.402 363 L N 1.865 122.922 121.223 -0.278 0.000 2.257 363 L HA 0.531 4.870 4.340 -0.001 0.000 0.290 363 L C -0.703 175.901 176.870 -0.444 0.000 1.044 363 L CA -0.010 54.407 54.840 -0.705 0.000 0.810 363 L CB 0.935 42.352 42.059 -1.071 0.000 1.193 363 L HN 0.638 nan 8.230 nan 0.000 0.425 364 D N 4.657 124.822 120.400 -0.392 0.000 2.359 364 D HA 0.221 4.860 4.640 -0.001 0.000 0.230 364 D C 0.492 176.604 176.300 -0.313 0.000 1.118 364 D CA -0.079 53.760 54.000 -0.269 0.000 0.844 364 D CB 1.037 41.729 40.800 -0.179 0.000 1.059 364 D HN 0.636 nan 8.370 nan 0.000 0.493 365 L N 2.749 123.801 121.223 -0.286 0.000 2.640 365 L HA 0.062 4.401 4.340 -0.001 0.000 0.230 365 L C 2.231 178.975 176.870 -0.211 0.000 1.123 365 L CA 0.237 54.894 54.840 -0.305 0.000 0.900 365 L CB 0.111 41.993 42.059 -0.295 0.000 1.146 365 L HN 0.421 nan 8.230 nan 0.000 0.484 366 T N -3.034 111.424 114.554 -0.160 0.000 3.023 366 T HA 0.094 4.443 4.350 -0.001 0.000 0.266 366 T C 1.164 175.804 174.700 -0.100 0.000 1.093 366 T CA 0.573 62.604 62.100 -0.115 0.000 1.129 366 T CB -0.082 68.733 68.868 -0.089 0.000 0.899 366 T HN 0.243 nan 8.240 nan 0.000 0.491 367 G N 0.405 109.141 108.800 -0.107 0.000 2.574 367 G HA2 0.537 4.496 3.960 -0.001 0.000 0.248 367 G HA3 0.537 4.496 3.960 -0.001 0.000 0.248 367 G C -0.997 173.854 174.900 -0.082 0.000 1.422 367 G CA -0.575 44.476 45.100 -0.082 0.000 1.051 367 G HN 0.304 nan 8.290 nan 0.000 0.560 368 T N 2.165 116.684 114.554 -0.059 0.000 2.890 368 T HA 0.526 4.876 4.350 -0.001 0.000 0.295 368 T C -1.961 172.720 174.700 -0.031 0.000 0.993 368 T CA -0.503 61.569 62.100 -0.046 0.000 0.979 368 T CB 1.783 70.634 68.868 -0.028 0.000 0.967 368 T HN 0.535 nan 8.240 nan 0.000 0.441 369 P HA 0.333 nan 4.420 nan 0.000 0.277 369 P C 0.973 178.219 177.300 -0.091 0.000 1.276 369 P CA -0.684 62.389 63.100 -0.044 0.000 0.788 369 P CB 0.973 32.663 31.700 -0.017 0.000 1.114 370 L N -0.619 120.530 121.223 -0.123 0.000 2.027 370 L HA 0.039 4.378 4.340 -0.001 0.000 0.206 370 L C 1.049 177.661 176.870 -0.430 0.000 1.074 370 L CA 1.439 56.108 54.840 -0.285 0.000 0.745 370 L CB -0.736 41.110 42.059 -0.354 0.000 0.898 370 L HN 0.206 nan 8.230 nan 0.000 0.433 371 F N 0.072 119.933 119.950 -0.148 0.000 2.406 371 F HA 0.349 4.876 4.527 -0.001 0.000 0.358 371 F C -0.247 175.418 175.800 -0.225 0.000 1.161 371 F CA -0.407 57.460 58.000 -0.222 0.000 1.185 371 F CB 0.287 39.237 39.000 -0.083 0.000 1.421 371 F HN -0.369 nan 8.300 nan 0.000 0.576 372 V N 2.649 122.419 119.914 -0.240 0.000 2.444 372 V HA 0.262 4.381 4.120 -0.001 0.000 0.294 372 V C -0.857 175.066 176.094 -0.285 0.000 1.022 372 V CA -1.173 61.039 62.300 -0.147 0.000 0.850 372 V CB 1.138 32.898 31.823 -0.105 0.000 0.992 372 V HN 0.530 nan 8.190 nan 0.000 0.426 373 W N 4.595 125.889 121.300 -0.010 0.000 2.335 373 W HA 0.577 5.236 4.660 -0.001 0.000 0.307 373 W C 0.336 176.814 176.519 -0.069 0.000 1.117 373 W CA -0.523 56.784 57.345 -0.062 0.000 1.228 373 W CB 1.076 30.481 29.460 -0.091 0.000 1.240 373 W HN 0.302 nan 8.180 nan 0.000 0.468 374 K N 2.732 123.208 120.400 0.126 0.000 2.270 374 K HA 0.623 4.942 4.320 -0.001 0.000 0.255 374 K C -1.108 175.527 176.600 0.058 0.000 0.936 374 K CA -1.078 55.244 56.287 0.058 0.000 0.809 374 K CB 2.400 34.903 32.500 0.004 0.000 1.131 374 K HN 0.131 nan 8.250 nan 0.000 0.427 375 V N 2.995 122.926 119.914 0.028 0.000 2.378 375 V HA 0.143 4.262 4.120 -0.001 0.000 0.288 375 V C 0.233 176.339 176.094 0.019 0.000 1.016 375 V CA -0.785 61.528 62.300 0.022 0.000 0.840 375 V CB 0.842 32.658 31.823 -0.011 0.000 0.994 375 V HN 0.937 nan 8.190 nan 0.000 0.431 376 N N 3.691 122.416 118.700 0.041 0.000 2.754 376 N HA -0.190 4.550 4.740 -0.001 0.000 0.248 376 N C 1.008 176.533 175.510 0.025 0.000 1.093 376 N CA 1.824 54.900 53.050 0.043 0.000 0.699 376 N CB -1.060 37.456 38.487 0.050 0.000 1.016 376 N HN 1.648 nan 8.380 nan 0.000 0.552 377 G N -2.340 106.471 108.800 0.018 0.000 2.157 377 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.248 377 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.248 377 G C -0.073 174.824 174.900 -0.004 0.000 0.979 377 G CA 0.722 45.825 45.100 0.005 0.000 0.650 377 G HN 1.359 nan 8.290 nan 0.000 0.529 378 S N 0.787 116.484 115.700 -0.005 0.000 2.575 378 S HA 0.518 4.987 4.470 -0.001 0.000 0.278 378 S C -0.885 173.707 174.600 -0.014 0.000 1.139 378 S CA 0.011 58.202 58.200 -0.015 0.000 0.954 378 S CB 1.206 64.393 63.200 -0.022 0.000 1.054 378 S HN 0.544 nan 8.310 nan 0.000 0.483 379 D N 4.207 124.599 120.400 -0.012 0.000 2.277 379 D HA 0.181 4.820 4.640 -0.001 0.000 0.249 379 D C 0.461 176.743 176.300 -0.030 0.000 1.134 379 D CA -0.423 53.577 54.000 -0.001 0.000 0.863 379 D CB 0.795 41.603 40.800 0.014 0.000 1.143 379 D HN 0.579 nan 8.370 nan 0.000 0.458 380 I N 1.960 122.504 120.570 -0.044 0.000 2.752 380 I HA -0.024 4.145 4.170 -0.001 0.000 0.287 380 I C 0.028 176.089 176.117 -0.094 0.000 1.188 380 I CA 0.367 61.617 61.300 -0.083 0.000 1.427 380 I CB 0.266 38.199 38.000 -0.112 0.000 1.365 380 I HN 0.410 nan 8.210 nan 0.000 0.585 381 N N 6.894 125.522 118.700 -0.119 0.000 2.699 381 N HA 0.182 4.921 4.740 -0.001 0.000 0.271 381 N C -1.069 174.336 175.510 -0.175 0.000 1.216 381 N CA -0.429 52.528 53.050 -0.155 0.000 0.844 381 N CB 1.474 39.886 38.487 -0.125 0.000 1.462 381 N HN 0.372 nan 8.380 nan 0.000 0.555 382 V N 0.178 119.956 119.914 -0.228 0.000 3.036 382 V HA 0.563 4.683 4.120 -0.001 0.000 0.308 382 V C 0.221 176.167 176.094 -0.247 0.000 1.070 382 V CA -0.428 61.754 62.300 -0.197 0.000 1.056 382 V CB 1.612 33.335 31.823 -0.165 0.000 1.084 382 V HN 0.481 nan 8.190 nan 0.000 0.471 383 D N 1.924 122.261 120.400 -0.105 0.000 2.427 383 D HA 0.246 4.885 4.640 -0.001 0.000 0.226 383 D C 0.432 176.765 176.300 0.055 0.000 1.076 383 D CA -0.483 53.481 54.000 -0.061 0.000 0.849 383 D CB 0.857 41.693 40.800 0.059 0.000 1.052 383 D HN 0.688 nan 8.370 nan 0.000 0.515 384 W N 2.729 123.979 121.300 -0.084 0.000 2.350 384 W HA -0.035 4.624 4.660 -0.001 0.000 0.289 384 W C 1.967 178.490 176.519 0.007 0.000 1.215 384 W CA 1.147 58.416 57.345 -0.127 0.000 1.236 384 W CB -0.815 28.541 29.460 -0.174 0.000 1.130 384 W HN 0.576 nan 8.180 nan 0.000 0.541 385 G N -0.712 108.303 108.800 0.358 0.000 2.777 385 G HA2 -0.078 3.881 3.960 -0.001 0.000 0.211 385 G HA3 -0.078 3.881 3.960 -0.001 0.000 0.211 385 G C 0.693 175.707 174.900 0.190 0.000 1.149 385 G CA 0.069 45.370 45.100 0.334 0.000 0.785 385 G HN 0.106 nan 8.290 nan 0.000 0.536 386 K N 0.933 121.437 120.400 0.173 0.000 2.895 386 K HA 0.333 4.652 4.320 -0.001 0.000 0.191 386 K C -2.911 173.857 176.600 0.279 0.000 1.117 386 K CA -1.561 54.828 56.287 0.169 0.000 0.988 386 K CB 2.113 34.675 32.500 0.104 0.000 1.181 386 K HN -0.035 nan 8.250 nan 0.000 0.598 387 P HA 0.044 nan 4.420 nan 0.000 0.272 387 P C 1.016 178.550 177.300 0.389 0.000 1.240 387 P CA -0.583 62.703 63.100 0.311 0.000 0.791 387 P CB 0.628 32.559 31.700 0.384 0.000 0.978 388 I N 0.989 121.692 120.570 0.221 0.000 2.335 388 I HA -0.186 3.983 4.170 -0.001 0.000 0.251 388 I C 1.874 178.089 176.117 0.164 0.000 1.129 388 I CA 1.587 62.981 61.300 0.156 0.000 1.402 388 I CB -1.131 36.797 38.000 -0.120 0.000 1.069 388 I HN 0.368 nan 8.210 nan 0.000 0.424 389 I N 0.755 121.341 120.570 0.027 0.000 2.493 389 I HA -0.247 3.922 4.170 -0.001 0.000 0.254 389 I C 2.204 178.190 176.117 -0.218 0.000 1.160 389 I CA 1.303 62.470 61.300 -0.222 0.000 1.445 389 I CB -1.198 36.477 38.000 -0.541 0.000 1.086 389 I HN 0.235 nan 8.210 nan 0.000 0.433 390 D N 0.105 120.570 120.400 0.110 0.000 2.149 390 D HA -0.207 4.432 4.640 -0.001 0.000 0.201 390 D C 2.176 178.515 176.300 0.066 0.000 0.972 390 D CA 1.311 55.417 54.000 0.177 0.000 0.835 390 D CB -0.031 40.940 40.800 0.284 0.000 0.966 390 D HN 0.267 nan 8.370 nan 0.000 0.476 391 Y N 0.122 120.483 120.300 0.102 0.000 2.242 391 Y HA -0.088 4.461 4.550 -0.001 0.000 0.291 391 Y C 2.242 178.192 175.900 0.084 0.000 1.137 391 Y CA 0.545 58.713 58.100 0.113 0.000 1.181 391 Y CB -0.102 38.508 38.460 0.250 0.000 0.989 391 Y HN 0.094 nan 8.280 nan 0.000 0.527 392 I N -0.404 120.295 120.570 0.216 0.000 2.252 392 I HA -0.248 3.921 4.170 -0.001 0.000 0.245 392 I C 2.100 178.233 176.117 0.027 0.000 1.102 392 I CA 1.479 62.839 61.300 0.100 0.000 1.385 392 I CB -1.185 36.824 38.000 0.014 0.000 1.064 392 I HN 0.282 nan 8.210 nan 0.000 0.414 393 L N 0.421 121.630 121.223 -0.023 0.000 2.291 393 L HA -0.139 4.200 4.340 -0.001 0.000 0.214 393 L C 2.293 179.165 176.870 0.003 0.000 1.120 393 L CA 1.573 56.394 54.840 -0.032 0.000 0.799 393 L CB -0.641 41.376 42.059 -0.071 0.000 0.925 393 L HN 0.371 nan 8.230 nan 0.000 0.446 394 T N -4.597 109.964 114.554 0.011 0.000 3.060 394 T HA 0.237 4.586 4.350 -0.001 0.000 0.249 394 T C 1.394 176.099 174.700 0.009 0.000 1.079 394 T CA 0.387 62.489 62.100 0.003 0.000 1.013 394 T CB 0.612 69.464 68.868 -0.026 0.000 0.975 394 T HN 0.373 nan 8.240 nan 0.000 0.518 395 G N 1.859 110.676 108.800 0.028 0.000 2.160 395 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.244 395 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.244 395 G C -0.147 174.765 174.900 0.020 0.000 1.022 395 G CA -0.062 45.056 45.100 0.029 0.000 0.741 395 G HN 0.706 nan 8.290 nan 0.000 0.508 396 N N 0.604 119.327 118.700 0.038 0.000 2.419 396 N HA 0.436 5.175 4.740 -0.001 0.000 0.264 396 N C 1.392 176.867 175.510 -0.058 0.000 1.031 396 N CA 0.490 53.556 53.050 0.025 0.000 0.951 396 N CB 1.076 39.591 38.487 0.046 0.000 1.101 396 N HN 0.348 nan 8.380 nan 0.000 0.488 397 T N -1.204 113.203 114.554 -0.245 0.000 3.092 397 T HA 0.162 4.511 4.350 -0.001 0.000 0.258 397 T C 0.226 174.410 174.700 -0.860 0.000 1.031 397 T CA -0.302 61.394 62.100 -0.673 0.000 0.925 397 T CB -0.190 68.504 68.868 -0.290 0.000 1.036 397 T HN 0.218 nan 8.240 nan 0.000 0.544 398 S N 2.605 118.040 115.700 -0.442 0.000 4.120 398 S HA 0.319 4.788 4.470 -0.001 0.000 0.196 398 S C -0.806 173.655 174.600 -0.231 0.000 1.447 398 S CA -0.756 57.298 58.200 -0.244 0.000 0.939 398 S CB -0.952 62.216 63.200 -0.054 0.000 1.496 398 S HN 0.479 nan 8.310 nan 0.000 0.460 399 Y N 2.966 123.172 120.300 -0.157 0.000 2.465 399 Y HA 0.269 4.818 4.550 -0.002 0.000 0.331 399 Y C -1.559 174.223 175.900 -0.197 0.000 1.102 399 Y CA -2.886 54.987 58.100 -0.378 0.000 1.358 399 Y CB -0.650 37.596 38.460 -0.356 0.000 1.213 399 Y HN 0.314 nan 8.280 nan 0.000 0.525 400 P HA 0.007 nan 4.420 nan 0.000 0.269 400 P C 0.880 178.173 177.300 -0.013 0.000 1.215 400 P CA -0.159 62.941 63.100 0.001 0.000 0.780 400 P CB 1.368 33.080 31.700 0.020 0.000 0.898 401 V N 1.789 121.699 119.914 -0.006 0.000 2.317 401 V HA -0.253 3.866 4.120 -0.001 0.000 0.251 401 V C 2.396 178.469 176.094 -0.035 0.000 1.065 401 V CA 2.534 64.826 62.300 -0.014 0.000 1.049 401 V CB -1.394 30.424 31.823 -0.008 0.000 0.651 401 V HN 0.599 nan 8.190 nan 0.000 0.450 402 S N -0.458 115.218 115.700 -0.041 0.000 2.507 402 S HA -0.143 4.326 4.470 -0.001 0.000 0.235 402 S C 1.457 176.005 174.600 -0.087 0.000 0.988 402 S CA 0.968 59.133 58.200 -0.059 0.000 0.944 402 S CB -0.344 62.822 63.200 -0.056 0.000 0.762 402 S HN 0.622 nan 8.310 nan 0.000 0.526 403 D N 1.488 121.829 120.400 -0.097 0.000 2.355 403 D HA 0.057 4.696 4.640 -0.001 0.000 0.218 403 D C 0.108 176.311 176.300 -0.162 0.000 1.004 403 D CA 0.140 54.056 54.000 -0.140 0.000 0.880 403 D CB -0.314 40.383 40.800 -0.172 0.000 0.911 403 D HN 0.140 nan 8.370 nan 0.000 0.528 404 N N 0.807 119.430 118.700 -0.128 0.000 2.714 404 N HA -0.184 4.555 4.740 -0.001 0.000 0.252 404 N C -0.543 174.860 175.510 -0.178 0.000 1.014 404 N CA 0.355 53.325 53.050 -0.132 0.000 0.735 404 N CB -1.078 37.328 38.487 -0.135 0.000 0.924 404 N HN 0.296 nan 8.380 nan 0.000 0.540 405 I N 0.617 121.080 120.570 -0.179 0.000 2.587 405 I HA 0.009 4.178 4.170 -0.001 0.000 0.284 405 I C 0.732 176.771 176.117 -0.130 0.000 1.134 405 I CA 0.091 61.256 61.300 -0.225 0.000 1.410 405 I CB 0.412 38.197 38.000 -0.359 0.000 1.392 405 I HN -0.148 nan 8.210 nan 0.000 0.545 406 V N 7.462 127.300 119.914 -0.126 0.000 2.284 406 V HA 0.214 4.333 4.120 -0.001 0.000 0.274 406 V C 0.364 176.525 176.094 0.113 0.000 1.023 406 V CA -0.721 61.580 62.300 0.001 0.000 0.808 406 V CB 1.049 32.813 31.823 -0.098 0.000 1.035 406 V HN 0.697 nan 8.190 nan 0.000 0.445 407 Q N 3.387 123.250 119.800 0.106 0.000 2.293 407 Q HA 0.393 4.732 4.340 -0.001 0.000 0.263 407 Q C -0.932 175.184 176.000 0.194 0.000 1.002 407 Q CA -0.145 55.730 55.803 0.119 0.000 0.910 407 Q CB 1.268 30.065 28.738 0.099 0.000 1.185 407 Q HN 0.626 nan 8.270 nan 0.000 0.401 408 V N 5.235 125.269 119.914 0.201 0.000 2.304 408 V HA 0.109 4.228 4.120 -0.001 0.000 0.278 408 V C -0.070 176.099 176.094 0.125 0.000 1.018 408 V CA -0.563 61.856 62.300 0.198 0.000 0.814 408 V CB 1.236 33.189 31.823 0.216 0.000 1.021 408 V HN 0.844 nan 8.190 nan 0.000 0.440 409 D N 2.882 123.340 120.400 0.097 0.000 2.323 409 D HA 0.091 4.730 4.640 -0.001 0.000 0.209 409 D C 1.390 177.716 176.300 0.043 0.000 0.973 409 D CA 0.575 54.617 54.000 0.069 0.000 0.874 409 D CB 0.462 41.300 40.800 0.063 0.000 0.930 409 D HN 0.669 nan 8.370 nan 0.000 0.521 410 A N 1.075 123.909 122.820 0.024 0.000 2.567 410 A HA 0.135 4.454 4.320 -0.001 0.000 0.240 410 A C 0.353 177.925 177.584 -0.019 0.000 1.053 410 A CA 0.081 52.112 52.037 -0.010 0.000 0.755 410 A CB 0.310 19.283 19.000 -0.046 0.000 0.978 410 A HN -0.022 nan 8.150 nan 0.000 0.507 411 V N 3.923 123.826 119.914 -0.019 0.000 2.348 411 V HA 0.228 4.347 4.120 -0.001 0.000 0.270 411 V C 0.581 176.642 176.094 -0.054 0.000 1.037 411 V CA 0.508 62.796 62.300 -0.019 0.000 0.872 411 V CB 0.525 32.347 31.823 -0.001 0.000 1.002 411 V HN 1.109 nan 8.190 nan 0.000 0.464 412 D N 3.339 123.690 120.400 -0.081 0.000 2.751 412 D HA -0.195 4.445 4.640 -0.001 0.000 0.233 412 D C 0.288 176.454 176.300 -0.224 0.000 1.149 412 D CA 1.248 55.160 54.000 -0.147 0.000 0.682 412 D CB -0.337 40.405 40.800 -0.098 0.000 1.068 412 D HN 0.798 nan 8.370 nan 0.000 0.429 413 Q N -0.955 118.703 119.800 -0.237 0.000 2.351 413 Q HA 0.492 4.831 4.340 -0.001 0.000 0.273 413 Q C -0.401 175.386 176.000 -0.354 0.000 1.077 413 Q CA -0.948 54.720 55.803 -0.225 0.000 0.843 413 Q CB 0.955 29.638 28.738 -0.092 0.000 1.367 413 Q HN 0.250 nan 8.270 nan 0.000 0.449 414 W N 1.853 123.028 121.300 -0.208 0.000 2.356 414 W HA 0.193 4.852 4.660 -0.002 0.000 0.311 414 W C 0.289 176.491 176.519 -0.529 0.000 1.328 414 W CA -0.112 56.997 57.345 -0.393 0.000 1.251 414 W CB 0.831 30.062 29.460 -0.382 0.000 1.280 414 W HN 0.400 nan 8.180 nan 0.000 0.524 415 T N 0.906 115.159 114.554 -0.502 0.000 2.797 415 T HA 0.498 4.847 4.350 -0.001 0.000 0.279 415 T C -1.041 173.142 174.700 -0.861 0.000 0.991 415 T CA -0.816 60.917 62.100 -0.612 0.000 0.979 415 T CB 0.802 69.320 68.868 -0.583 0.000 0.943 415 T HN 0.196 nan 8.240 nan 0.000 0.444 416 Y N 1.182 121.050 120.300 -0.721 0.000 2.330 416 Y HA 0.580 5.129 4.550 -0.001 0.000 0.336 416 Y C -0.637 174.663 175.900 -1.000 0.000 1.036 416 Y CA -1.048 56.674 58.100 -0.631 0.000 1.125 416 Y CB 1.363 39.641 38.460 -0.303 0.000 1.194 416 Y HN 0.697 nan 8.280 nan 0.000 0.469 417 W N 5.090 126.365 121.300 -0.041 0.000 2.647 417 W HA 0.522 5.180 4.660 -0.002 0.000 0.328 417 W C -1.469 175.024 176.519 -0.043 0.000 1.018 417 W CA -0.712 56.633 57.345 -0.000 0.000 1.245 417 W CB 1.308 30.767 29.460 -0.002 0.000 1.356 417 W HN 0.241 nan 8.180 nan 0.000 0.443 418 L N 5.364 126.690 121.223 0.172 0.000 2.257 418 L HA 0.598 4.937 4.340 -0.001 0.000 0.290 418 L C -0.851 176.165 176.870 0.244 0.000 1.044 418 L CA -0.578 54.322 54.840 0.100 0.000 0.810 418 L CB 0.129 42.189 42.059 0.002 0.000 1.193 418 L HN 0.318 nan 8.230 nan 0.000 0.425 419 I N 4.690 125.430 120.570 0.283 0.000 2.321 419 I HA 0.344 4.514 4.170 -0.001 0.000 0.291 419 I C -0.058 176.242 176.117 0.306 0.000 0.998 419 I CA -0.116 61.366 61.300 0.303 0.000 1.227 419 I CB 1.255 39.452 38.000 0.329 0.000 1.368 419 I HN 0.556 nan 8.210 nan 0.000 0.466 420 E N 4.547 124.910 120.200 0.270 0.000 2.175 420 E HA 0.257 4.606 4.350 -0.001 0.000 0.278 420 E C -0.463 176.282 176.600 0.241 0.000 0.969 420 E CA -0.701 55.872 56.400 0.289 0.000 0.796 420 E CB 1.212 31.060 29.700 0.246 0.000 1.104 420 E HN 0.305 nan 8.360 nan 0.000 0.395 421 N N 3.299 122.154 118.700 0.258 0.000 3.083 421 N HA -0.000 4.739 4.740 -0.001 0.000 0.260 421 N C -0.879 174.759 175.510 0.212 0.000 1.163 421 N CA -0.090 53.103 53.050 0.239 0.000 1.060 421 N CB -0.166 38.469 38.487 0.247 0.000 1.345 421 N HN 0.458 nan 8.380 nan 0.000 0.515 422 D N 1.353 121.862 120.400 0.182 0.000 2.755 422 D HA -0.169 4.470 4.640 -0.001 0.000 0.227 422 D C -1.543 174.827 176.300 0.117 0.000 1.211 422 D CA 0.015 54.093 54.000 0.130 0.000 0.663 422 D CB 0.145 41.014 40.800 0.115 0.000 0.983 422 D HN 0.384 nan 8.370 nan 0.000 0.407 423 P HA -0.129 nan 4.420 nan 0.000 0.216 423 P C 0.897 178.246 177.300 0.083 0.000 1.150 423 P CA 1.027 64.203 63.100 0.127 0.000 0.837 423 P CB 0.248 32.045 31.700 0.161 0.000 0.786 424 E N -0.698 119.543 120.200 0.068 0.000 2.463 424 E HA 0.195 4.544 4.350 -0.001 0.000 0.193 424 E C 1.219 177.838 176.600 0.031 0.000 1.041 424 E CA 0.065 56.492 56.400 0.045 0.000 0.879 424 E CB -0.268 29.456 29.700 0.039 0.000 0.997 424 E HN 0.154 nan 8.360 nan 0.000 0.478 425 G N 2.649 111.468 108.800 0.030 0.000 2.537 425 G HA2 0.205 4.164 3.960 -0.001 0.000 0.273 425 G HA3 0.205 4.164 3.960 -0.001 0.000 0.273 425 G C -1.188 173.732 174.900 0.032 0.000 1.189 425 G CA -0.908 44.194 45.100 0.002 0.000 0.881 425 G HN -0.098 nan 8.290 nan 0.000 0.535 426 P HA -0.030 nan 4.420 nan 0.000 0.215 426 P C 0.082 177.550 177.300 0.280 0.000 1.153 426 P CA 1.238 64.427 63.100 0.147 0.000 0.853 426 P CB -0.041 31.771 31.700 0.188 0.000 0.788 427 F N -2.681 117.297 119.950 0.047 0.000 2.654 427 F HA 0.759 5.285 4.527 -0.002 0.000 0.308 427 F C -1.117 174.762 175.800 0.133 0.000 1.108 427 F CA -1.567 56.482 58.000 0.081 0.000 0.957 427 F CB 1.182 40.233 39.000 0.085 0.000 1.309 427 F HN -0.293 nan 8.300 nan 0.000 0.446 428 S N 2.797 118.612 115.700 0.192 0.000 2.536 428 S HA 0.862 5.332 4.470 -0.001 0.000 0.287 428 S C -1.408 173.302 174.600 0.184 0.000 1.101 428 S CA -0.632 57.649 58.200 0.135 0.000 0.950 428 S CB 1.131 64.415 63.200 0.140 0.000 1.056 428 S HN 0.759 nan 8.310 nan 0.000 0.481 429 L N 3.805 125.102 121.223 0.123 0.000 2.333 429 L HA 0.596 4.935 4.340 -0.001 0.000 0.269 429 L C -2.438 174.249 176.870 -0.305 0.000 1.010 429 L CA -2.672 52.160 54.840 -0.012 0.000 0.818 429 L CB 2.133 44.219 42.059 0.046 0.000 1.306 429 L HN 0.443 nan 8.230 nan 0.000 0.430 430 P HA 0.149 nan 4.420 nan 0.000 0.271 430 P C -1.325 175.716 177.300 -0.432 0.000 1.218 430 P CA -0.012 62.944 63.100 -0.240 0.000 0.780 430 P CB 0.459 32.063 31.700 -0.159 0.000 0.901 431 H N 2.382 121.483 119.070 0.051 0.000 2.744 431 H HA 0.239 4.794 4.556 -0.002 0.000 0.339 431 H C -2.366 173.040 175.328 0.130 0.000 1.004 431 H CA -2.013 54.075 56.048 0.067 0.000 1.257 431 H CB 1.856 31.597 29.762 -0.036 0.000 1.552 431 H HN 0.268 nan 8.280 nan 0.000 0.522 432 P HA 0.080 nan 4.420 nan 0.000 0.273 432 P C -0.140 177.282 177.300 0.203 0.000 1.428 432 P CA -0.432 62.837 63.100 0.282 0.000 0.995 432 P CB 0.233 32.080 31.700 0.246 0.000 1.286 433 M N 3.567 123.266 119.600 0.166 0.000 2.184 433 M HA 0.184 4.663 4.480 -0.001 0.000 0.351 433 M C 0.310 176.761 176.300 0.252 0.000 1.395 433 M CA -0.099 55.211 55.300 0.017 0.000 1.117 433 M CB -0.678 31.868 32.600 -0.089 0.000 1.708 433 M HN 0.406 nan 8.290 nan 0.000 0.468 434 H N 2.844 121.907 119.070 -0.011 0.000 2.572 434 H HA 0.718 5.273 4.556 -0.001 0.000 0.359 434 H C -2.006 173.480 175.328 0.262 0.000 1.134 434 H CA -0.880 55.265 56.048 0.162 0.000 1.187 434 H CB 1.393 31.188 29.762 0.053 0.000 1.597 434 H HN 0.588 nan 8.280 nan 0.000 0.524 435 L N 5.171 126.280 121.223 -0.190 0.000 2.341 435 L HA 0.368 4.707 4.340 -0.001 0.000 0.278 435 L C -0.938 175.698 176.870 -0.390 0.000 1.005 435 L CA -0.284 54.535 54.840 -0.036 0.000 0.818 435 L CB 1.107 43.321 42.059 0.259 0.000 1.259 435 L HN 0.818 nan 8.230 nan 0.000 0.418 436 H N 3.582 122.472 119.070 -0.299 0.000 2.551 436 H HA 0.373 4.928 4.556 -0.001 0.000 0.358 436 H C 0.941 176.026 175.328 -0.406 0.000 1.151 436 H CA 0.133 56.104 56.048 -0.128 0.000 1.374 436 H CB 1.246 31.135 29.762 0.211 0.000 1.473 436 H HN 0.959 nan 8.280 nan 0.000 0.574 437 G N 1.555 110.021 108.800 -0.556 0.000 2.257 437 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.267 437 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.267 437 G C 0.123 174.159 174.900 -1.441 0.000 0.984 437 G CA 0.508 44.702 45.100 -1.510 0.000 0.626 437 G HN 0.792 nan 8.290 nan 0.000 0.540 438 H N -0.598 117.929 119.070 -0.906 0.000 2.990 438 H HA 0.447 5.002 4.556 -0.001 0.000 0.343 438 H C -1.469 173.433 175.328 -0.709 0.000 1.270 438 H CA -0.786 54.692 56.048 -0.949 0.000 1.118 438 H CB 1.594 30.938 29.762 -0.697 0.000 1.861 438 H HN 0.149 nan 8.280 nan 0.000 0.544 439 D N 1.541 121.698 120.400 -0.406 0.000 2.192 439 D HA 0.233 4.872 4.640 -0.001 0.000 0.246 439 D C -0.271 175.972 176.300 -0.095 0.000 1.042 439 D CA -0.273 53.583 54.000 -0.240 0.000 0.847 439 D CB 1.436 42.225 40.800 -0.018 0.000 1.186 439 D HN 0.192 nan 8.370 nan 0.000 0.461 440 F N -0.005 119.986 119.950 0.069 0.000 2.450 440 F HA 0.583 5.110 4.527 -0.001 0.000 0.328 440 F C -0.383 175.500 175.800 0.138 0.000 1.068 440 F CA -1.360 56.713 58.000 0.122 0.000 1.007 440 F CB 0.370 39.429 39.000 0.097 0.000 1.251 440 F HN 0.019 nan 8.300 nan 0.000 0.492 441 L N 2.189 123.683 121.223 0.452 0.000 2.289 441 L HA 0.474 4.813 4.340 -0.001 0.000 0.285 441 L C -0.658 176.372 176.870 0.267 0.000 1.049 441 L CA -1.188 53.811 54.840 0.264 0.000 0.804 441 L CB 1.667 43.758 42.059 0.054 0.000 1.195 441 L HN 0.472 nan 8.230 nan 0.000 0.428 442 V N 5.476 125.542 119.914 0.253 0.000 2.322 442 V HA 0.092 4.211 4.120 -0.001 0.000 0.258 442 V C 1.225 177.384 176.094 0.108 0.000 1.074 442 V CA -0.167 62.245 62.300 0.187 0.000 0.909 442 V CB 0.639 32.594 31.823 0.221 0.000 1.090 442 V HN 0.717 nan 8.190 nan 0.000 0.486 443 L N 3.382 124.651 121.223 0.076 0.000 2.217 443 L HA 0.317 4.656 4.340 -0.001 0.000 0.211 443 L C 1.201 178.131 176.870 0.101 0.000 1.107 443 L CA 1.183 56.062 54.840 0.065 0.000 0.783 443 L CB -0.228 41.853 42.059 0.038 0.000 0.919 443 L HN 0.802 nan 8.230 nan 0.000 0.442 444 G N -0.242 108.631 108.800 0.122 0.000 2.316 444 G HA2 0.422 4.381 3.960 -0.001 0.000 0.296 444 G HA3 0.422 4.381 3.960 -0.001 0.000 0.296 444 G C -1.641 173.277 174.900 0.029 0.000 1.399 444 G CA -0.796 44.377 45.100 0.122 0.000 0.833 444 G HN 0.160 nan 8.290 nan 0.000 0.565 445 R N -1.520 118.809 120.500 -0.285 0.000 2.766 445 R HA 0.788 5.128 4.340 -0.001 0.000 0.270 445 R C 0.162 175.690 176.300 -1.286 0.000 1.035 445 R CA -0.308 55.334 56.100 -0.763 0.000 0.911 445 R CB 0.850 30.928 30.300 -0.370 0.000 1.243 445 R HN 1.120 nan 8.270 nan 0.000 0.460 446 S N 0.364 115.089 115.700 -1.625 0.000 2.576 446 S HA 0.200 4.669 4.470 -0.001 0.000 0.272 446 S C -2.179 171.956 174.600 -0.776 0.000 1.352 446 S CA -0.879 56.547 58.200 -1.291 0.000 1.021 446 S CB -0.030 62.592 63.200 -0.963 0.000 0.887 446 S HN 0.457 nan 8.310 nan 0.000 0.542 447 P HA 0.063 nan 4.420 nan 0.000 0.263 447 P C -0.806 176.299 177.300 -0.326 0.000 1.175 447 P CA 0.276 63.041 63.100 -0.560 0.000 0.761 447 P CB 0.118 31.413 31.700 -0.675 0.000 0.794 448 D N 2.458 122.744 120.400 -0.191 0.000 2.349 448 D HA 0.140 4.780 4.640 -0.001 0.000 0.266 448 D C 0.303 176.578 176.300 -0.042 0.000 1.293 448 D CA 0.416 54.351 54.000 -0.108 0.000 0.926 448 D CB -0.065 40.678 40.800 -0.094 0.000 1.090 448 D HN 0.030 nan 8.370 nan 0.000 0.502 449 V N 0.630 120.550 119.914 0.010 0.000 3.126 449 V HA 0.708 4.827 4.120 -0.001 0.000 0.314 449 V C -2.693 173.422 176.094 0.036 0.000 1.138 449 V CA -2.691 59.647 62.300 0.064 0.000 1.034 449 V CB 1.642 33.578 31.823 0.188 0.000 1.075 449 V HN 0.088 nan 8.190 nan 0.000 0.442 450 P HA 0.258 nan 4.420 nan 0.000 0.263 450 P C 0.791 178.108 177.300 0.029 0.000 1.195 450 P CA 0.629 63.742 63.100 0.022 0.000 0.762 450 P CB 1.060 32.776 31.700 0.026 0.000 0.799 451 A N 4.420 127.246 122.820 0.010 0.000 1.986 451 A HA -0.179 4.140 4.320 -0.001 0.000 0.220 451 A C 1.837 179.445 177.584 0.040 0.000 1.171 451 A CA 2.127 54.171 52.037 0.012 0.000 0.640 451 A CB -1.085 17.904 19.000 -0.020 0.000 0.811 451 A HN 0.547 nan 8.150 nan 0.000 0.451 452 A N -0.274 122.574 122.820 0.046 0.000 2.348 452 A HA 0.320 4.639 4.320 -0.001 0.000 0.224 452 A C 1.999 179.616 177.584 0.055 0.000 1.227 452 A CA 1.011 53.084 52.037 0.060 0.000 0.885 452 A CB -0.553 18.482 19.000 0.057 0.000 0.933 452 A HN 0.854 nan 8.150 nan 0.000 0.506 453 S N -0.781 114.948 115.700 0.049 0.000 2.447 453 S HA -0.164 4.305 4.470 -0.001 0.000 0.233 453 S C 0.954 175.576 174.600 0.037 0.000 1.006 453 S CA 1.070 59.294 58.200 0.040 0.000 0.957 453 S CB -0.242 62.981 63.200 0.039 0.000 0.773 453 S HN 0.513 nan 8.310 nan 0.000 0.507 454 Q N -0.079 119.753 119.800 0.054 0.000 2.489 454 Q HA -0.179 4.161 4.340 -0.001 0.000 0.259 454 Q C -0.673 175.333 176.000 0.010 0.000 0.934 454 Q CA 0.896 56.734 55.803 0.058 0.000 1.131 454 Q CB -2.291 26.491 28.738 0.073 0.000 1.472 454 Q HN 0.825 nan 8.270 nan 0.000 0.560 455 Q N 0.944 120.733 119.800 -0.019 0.000 2.296 455 Q HA 0.212 4.551 4.340 -0.001 0.000 0.262 455 Q C 0.186 176.057 176.000 -0.216 0.000 0.981 455 Q CA 0.010 55.728 55.803 -0.141 0.000 0.905 455 Q CB 0.757 29.416 28.738 -0.132 0.000 1.186 455 Q HN 0.021 nan 8.270 nan 0.000 0.399 456 R N 2.442 122.748 120.500 -0.323 0.000 2.474 456 R HA 0.536 4.875 4.340 -0.001 0.000 0.295 456 R C -0.854 175.164 176.300 -0.469 0.000 0.980 456 R CA -0.417 55.546 56.100 -0.228 0.000 0.934 456 R CB 0.628 30.884 30.300 -0.072 0.000 1.101 456 R HN 0.435 nan 8.270 nan 0.000 0.469 457 F N 0.161 120.214 119.950 0.171 0.000 2.557 457 F HA 0.366 4.893 4.527 -0.001 0.000 0.316 457 F C -0.239 175.799 175.800 0.397 0.000 1.141 457 F CA -0.898 57.258 58.000 0.259 0.000 0.922 457 F CB 2.017 41.175 39.000 0.263 0.000 1.194 457 F HN 0.008 nan 8.300 nan 0.000 0.443 458 V N 3.375 123.586 119.914 0.496 0.000 2.513 458 V HA 0.290 4.409 4.120 -0.001 0.000 0.299 458 V C -0.399 175.830 176.094 0.226 0.000 1.035 458 V CA -1.112 61.398 62.300 0.349 0.000 0.889 458 V CB 1.897 33.838 31.823 0.196 0.000 0.988 458 V HN 0.586 nan 8.190 nan 0.000 0.440 459 F N 4.151 123.956 119.950 -0.242 0.000 2.571 459 F HA 0.149 4.675 4.527 -0.002 0.000 0.390 459 F C 0.331 175.996 175.800 -0.226 0.000 1.043 459 F CA 0.344 57.978 58.000 -0.611 0.000 1.164 459 F CB 0.164 38.684 39.000 -0.800 0.000 1.049 459 F HN 0.599 nan 8.300 nan 0.000 0.552 460 D N 8.850 128.877 120.400 -0.622 0.000 2.453 460 D HA 0.334 4.973 4.640 -0.001 0.000 0.238 460 D C -2.052 173.862 176.300 -0.644 0.000 1.088 460 D CA -2.533 51.226 54.000 -0.401 0.000 0.854 460 D CB 1.849 42.556 40.800 -0.155 0.000 1.076 460 D HN 0.180 nan 8.370 nan 0.000 0.533 461 P HA -0.124 nan 4.420 nan 0.000 0.217 461 P C 0.989 178.156 177.300 -0.223 0.000 1.148 461 P CA 1.229 64.111 63.100 -0.364 0.000 0.828 461 P CB 0.283 31.915 31.700 -0.113 0.000 0.783 462 A N -0.830 121.890 122.820 -0.168 0.000 2.015 462 A HA -0.105 4.214 4.320 -0.001 0.000 0.219 462 A C 2.000 179.531 177.584 -0.088 0.000 1.163 462 A CA 2.183 54.160 52.037 -0.100 0.000 0.646 462 A CB -1.204 17.754 19.000 -0.070 0.000 0.806 462 A HN 0.241 nan 8.150 nan 0.000 0.448 463 V N -4.967 114.876 119.914 -0.119 0.000 3.539 463 V HA 0.164 4.283 4.120 -0.001 0.000 0.262 463 V C 1.121 177.167 176.094 -0.079 0.000 1.381 463 V CA 0.820 63.077 62.300 -0.072 0.000 1.060 463 V CB -0.053 31.752 31.823 -0.031 0.000 0.842 463 V HN 0.218 nan 8.190 nan 0.000 0.445 464 D N 0.917 121.199 120.400 -0.197 0.000 2.271 464 D HA 0.172 4.811 4.640 -0.001 0.000 0.206 464 D C 2.072 178.342 176.300 -0.050 0.000 0.967 464 D CA 0.802 54.703 54.000 -0.164 0.000 0.867 464 D CB 0.445 40.937 40.800 -0.514 0.000 0.960 464 D HN 0.388 nan 8.370 nan 0.000 0.509 465 L N 0.931 122.105 121.223 -0.082 0.000 2.131 465 L HA -0.107 4.232 4.340 -0.001 0.000 0.210 465 L C 2.341 179.251 176.870 0.066 0.000 1.092 465 L CA 0.902 55.784 54.840 0.070 0.000 0.759 465 L CB -0.195 41.896 42.059 0.054 0.000 0.903 465 L HN -0.030 nan 8.230 nan 0.000 0.435 466 A N -0.457 122.381 122.820 0.030 0.000 2.119 466 A HA -0.073 4.246 4.320 -0.001 0.000 0.216 466 A C 2.230 179.841 177.584 0.045 0.000 1.152 466 A CA 0.688 52.742 52.037 0.029 0.000 0.708 466 A CB -0.268 18.738 19.000 0.010 0.000 0.805 466 A HN 0.323 nan 8.150 nan 0.000 0.460 467 R N -0.755 119.788 120.500 0.073 0.000 2.276 467 R HA 0.244 4.583 4.340 -0.001 0.000 0.196 467 R C -0.265 176.105 176.300 0.117 0.000 0.961 467 R CA -0.100 56.052 56.100 0.088 0.000 1.024 467 R CB -0.136 30.230 30.300 0.110 0.000 0.940 467 R HN 0.398 nan 8.270 nan 0.000 0.480 468 L N 1.396 122.705 121.223 0.143 0.000 2.395 468 L HA 0.169 4.508 4.340 -0.001 0.000 0.269 468 L C -0.006 176.910 176.870 0.077 0.000 1.133 468 L CA -0.492 54.431 54.840 0.137 0.000 0.812 468 L CB 0.416 42.568 42.059 0.155 0.000 1.125 468 L HN -0.059 nan 8.230 nan 0.000 0.452 469 N N 0.702 119.439 118.700 0.062 0.000 2.399 469 N HA 0.402 5.141 4.740 -0.001 0.000 0.280 469 N C 0.176 175.694 175.510 0.013 0.000 1.008 469 N CA -0.373 52.698 53.050 0.034 0.000 0.894 469 N CB 1.966 40.473 38.487 0.034 0.000 1.273 469 N HN 0.627 nan 8.380 nan 0.000 0.486 470 G N 1.441 110.237 108.800 -0.007 0.000 3.192 470 G HA2 0.006 3.965 3.960 -0.001 0.000 0.239 470 G HA3 0.006 3.965 3.960 -0.001 0.000 0.239 470 G C -0.204 174.658 174.900 -0.063 0.000 1.084 470 G CA -0.211 44.859 45.100 -0.049 0.000 0.784 470 G HN 0.582 nan 8.290 nan 0.000 0.540 471 D N 1.099 121.482 120.400 -0.028 0.000 2.479 471 D HA 0.162 4.801 4.640 -0.001 0.000 0.218 471 D C 0.591 176.886 176.300 -0.008 0.000 1.131 471 D CA -0.580 53.408 54.000 -0.019 0.000 0.916 471 D CB -0.272 40.526 40.800 -0.004 0.000 1.022 471 D HN 0.018 nan 8.370 nan 0.000 0.515 472 N N 2.748 121.437 118.700 -0.018 0.000 2.688 472 N HA -0.130 4.609 4.740 -0.001 0.000 0.258 472 N C -2.467 173.056 175.510 0.021 0.000 1.016 472 N CA 0.358 53.410 53.050 0.004 0.000 0.747 472 N CB -0.316 38.185 38.487 0.024 0.000 0.895 472 N HN 0.319 nan 8.380 nan 0.000 0.543 473 P HA 0.272 nan 4.420 nan 0.000 0.275 473 P C -2.603 174.740 177.300 0.073 0.000 1.266 473 P CA -1.112 62.013 63.100 0.042 0.000 0.793 473 P CB 0.064 31.783 31.700 0.032 0.000 1.074 474 P HA 0.147 nan 4.420 nan 0.000 0.263 474 P C -0.135 177.250 177.300 0.142 0.000 1.195 474 P CA 0.663 63.837 63.100 0.123 0.000 0.762 474 P CB 0.168 31.957 31.700 0.149 0.000 0.799 475 R N 4.515 125.082 120.500 0.112 0.000 2.360 475 R HA 0.538 4.877 4.340 -0.001 0.000 0.318 475 R C -0.003 176.311 176.300 0.023 0.000 0.950 475 R CA -0.606 55.553 56.100 0.099 0.000 0.837 475 R CB 0.616 30.985 30.300 0.114 0.000 1.165 475 R HN 0.568 nan 8.270 nan 0.000 0.458 476 R N 1.170 121.608 120.500 -0.104 0.000 2.756 476 R HA 0.192 4.531 4.340 -0.001 0.000 0.273 476 R C -0.890 175.038 176.300 -0.620 0.000 1.030 476 R CA -0.618 55.350 56.100 -0.220 0.000 0.887 476 R CB 0.269 30.501 30.300 -0.113 0.000 1.274 476 R HN 0.515 nan 8.270 nan 0.000 0.461 477 D N -0.882 119.271 120.400 -0.411 0.000 2.367 477 D HA 0.110 4.749 4.640 -0.001 0.000 0.207 477 D C -0.424 175.816 176.300 -0.101 0.000 1.034 477 D CA 0.292 54.042 54.000 -0.416 0.000 0.861 477 D CB 0.684 41.490 40.800 0.010 0.000 0.943 477 D HN 0.427 nan 8.370 nan 0.000 0.515 478 T N -0.716 113.878 114.554 0.067 0.000 2.921 478 T HA 0.595 4.944 4.350 -0.001 0.000 0.297 478 T C -1.049 173.901 174.700 0.418 0.000 1.013 478 T CA -0.698 61.638 62.100 0.393 0.000 0.990 478 T CB 2.171 71.197 68.868 0.263 0.000 1.023 478 T HN -0.021 nan 8.240 nan 0.000 0.447 479 T N 2.290 117.169 114.554 0.542 0.000 2.821 479 T HA 0.549 4.898 4.350 -0.001 0.000 0.306 479 T C -1.233 173.648 174.700 0.301 0.000 1.313 479 T CA -0.821 61.519 62.100 0.401 0.000 1.012 479 T CB 0.997 70.134 68.868 0.449 0.000 1.298 479 T HN 0.364 nan 8.240 nan 0.000 0.502 480 M N 3.108 122.859 119.600 0.251 0.000 2.185 480 M HA 0.396 4.875 4.480 -0.001 0.000 0.357 480 M C -0.437 175.941 176.300 0.129 0.000 1.260 480 M CA -0.812 54.608 55.300 0.201 0.000 1.124 480 M CB 0.481 33.184 32.600 0.172 0.000 1.600 480 M HN 0.503 nan 8.290 nan 0.000 0.467 481 L N 7.143 128.446 121.223 0.134 0.000 2.255 481 L HA 0.500 4.839 4.340 -0.001 0.000 0.289 481 L C -2.429 174.488 176.870 0.078 0.000 1.046 481 L CA -1.556 53.355 54.840 0.119 0.000 0.816 481 L CB 0.783 42.947 42.059 0.175 0.000 1.197 481 L HN 0.368 nan 8.230 nan 0.000 0.427 482 P HA 0.119 nan 4.420 nan 0.000 0.267 482 P C -0.908 176.422 177.300 0.051 0.000 1.200 482 P CA -0.129 62.970 63.100 -0.000 0.000 0.772 482 P CB 0.520 32.183 31.700 -0.061 0.000 0.855 483 A N 3.214 126.057 122.820 0.038 0.000 2.524 483 A HA 0.417 4.736 4.320 -0.001 0.000 0.250 483 A C 1.605 179.260 177.584 0.117 0.000 1.078 483 A CA 0.671 52.748 52.037 0.067 0.000 0.761 483 A CB -1.458 17.573 19.000 0.052 0.000 1.012 483 A HN 0.873 nan 8.150 nan 0.000 0.500 484 G N 1.601 110.487 108.800 0.143 0.000 2.189 484 G HA2 -0.096 3.863 3.960 -0.001 0.000 0.267 484 G HA3 -0.096 3.863 3.960 -0.001 0.000 0.267 484 G C 0.942 175.973 174.900 0.218 0.000 0.975 484 G CA 1.072 46.265 45.100 0.155 0.000 0.644 484 G HN 1.784 nan 8.290 nan 0.000 0.537 485 G N -0.789 108.149 108.800 0.231 0.000 3.134 485 G HA2 0.715 4.674 3.960 -0.001 0.000 0.158 485 G HA3 0.715 4.674 3.960 -0.001 0.000 0.158 485 G C 0.166 175.261 174.900 0.324 0.000 1.334 485 G CA -0.136 45.130 45.100 0.277 0.000 1.001 485 G HN 1.079 nan 8.290 nan 0.000 0.600 486 W N -2.302 119.122 121.300 0.207 0.000 3.018 486 W HA 0.754 5.413 4.660 -0.001 0.000 0.352 486 W C -2.473 174.129 176.519 0.138 0.000 1.230 486 W CA -1.130 56.324 57.345 0.182 0.000 1.162 486 W CB 1.231 30.827 29.460 0.227 0.000 1.483 486 W HN 0.589 nan 8.180 nan 0.000 0.584 487 L N 2.589 124.090 121.223 0.464 0.000 2.526 487 L HA 0.604 4.943 4.340 -0.001 0.000 0.263 487 L C -2.078 174.993 176.870 0.335 0.000 0.943 487 L CA -0.603 54.402 54.840 0.275 0.000 0.859 487 L CB 1.922 44.070 42.059 0.149 0.000 1.313 487 L HN 0.416 nan 8.230 nan 0.000 0.406 488 L N 5.581 126.971 121.223 0.279 0.000 2.298 488 L HA 0.699 5.038 4.340 -0.001 0.000 0.284 488 L C -1.426 175.445 176.870 0.003 0.000 1.013 488 L CA 0.002 54.874 54.840 0.054 0.000 0.824 488 L CB 1.087 43.096 42.059 -0.083 0.000 1.221 488 L HN 0.617 nan 8.230 nan 0.000 0.418 489 L N 4.299 125.508 121.223 -0.023 0.000 2.303 489 L HA 0.991 5.331 4.340 -0.001 0.000 0.266 489 L C -0.391 176.486 176.870 0.012 0.000 1.011 489 L CA -0.911 53.908 54.840 -0.034 0.000 0.818 489 L CB 1.929 43.858 42.059 -0.217 0.000 1.326 489 L HN 0.699 nan 8.230 nan 0.000 0.435 490 A N 1.690 124.547 122.820 0.062 0.000 2.488 490 A HA 0.823 5.142 4.320 -0.001 0.000 0.298 490 A C -1.376 176.384 177.584 0.295 0.000 1.044 490 A CA -0.363 51.659 52.037 -0.024 0.000 0.693 490 A CB 1.479 20.272 19.000 -0.346 0.000 1.272 490 A HN 0.593 nan 8.150 nan 0.000 0.402 491 F N 0.013 120.005 119.950 0.070 0.000 2.591 491 F HA 0.803 5.329 4.527 -0.002 0.000 0.309 491 F C -0.519 175.095 175.800 -0.310 0.000 1.098 491 F CA -0.920 57.045 58.000 -0.059 0.000 0.937 491 F CB 1.539 40.336 39.000 -0.339 0.000 1.250 491 F HN 0.640 nan 8.300 nan 0.000 0.447 492 R N 1.543 121.706 120.500 -0.562 0.000 2.308 492 R HA 0.326 4.665 4.340 -0.001 0.000 0.305 492 R C 0.010 176.060 176.300 -0.418 0.000 1.053 492 R CA -0.034 55.518 56.100 -0.913 0.000 0.957 492 R CB 1.126 30.553 30.300 -1.455 0.000 1.022 492 R HN 0.926 nan 8.270 nan 0.000 0.461 493 T N 0.684 115.019 114.554 -0.366 0.000 4.508 493 T HA 0.021 4.370 4.350 -0.001 0.000 0.232 493 T C 0.168 174.875 174.700 0.013 0.000 1.027 493 T CA -0.508 61.536 62.100 -0.092 0.000 0.999 493 T CB -0.366 68.434 68.868 -0.113 0.000 1.402 493 T HN 0.639 nan 8.240 nan 0.000 1.003 494 D N -0.259 120.186 120.400 0.075 0.000 2.340 494 D HA 0.081 4.720 4.640 -0.001 0.000 0.217 494 D C 0.222 176.567 176.300 0.074 0.000 1.081 494 D CA -0.446 53.573 54.000 0.032 0.000 0.842 494 D CB 0.058 40.831 40.800 -0.046 0.000 0.934 494 D HN 0.408 nan 8.370 nan 0.000 0.511 495 N N 0.665 119.466 118.700 0.167 0.000 2.675 495 N HA 0.268 5.007 4.740 -0.001 0.000 0.254 495 N C -3.031 172.726 175.510 0.411 0.000 1.224 495 N CA -1.717 51.424 53.050 0.151 0.000 0.777 495 N CB 1.484 39.828 38.487 -0.237 0.000 1.256 495 N HN -0.216 nan 8.380 nan 0.000 0.531 496 P HA 0.306 nan 4.420 nan 0.000 0.263 496 P C 0.012 177.444 177.300 0.220 0.000 1.195 496 P CA 0.410 63.660 63.100 0.251 0.000 0.762 496 P CB 0.698 32.478 31.700 0.135 0.000 0.799 497 G N 1.733 110.567 108.800 0.056 0.000 2.313 497 G HA2 0.469 4.428 3.960 -0.001 0.000 0.296 497 G HA3 0.469 4.428 3.960 -0.001 0.000 0.296 497 G C -1.855 172.588 174.900 -0.762 0.000 1.356 497 G CA -0.253 44.552 45.100 -0.492 0.000 0.833 497 G HN 0.398 nan 8.290 nan 0.000 0.552 498 A N -0.300 121.987 122.820 -0.889 0.000 2.294 498 A HA 0.682 5.001 4.320 -0.001 0.000 0.316 498 A C -1.023 176.145 177.584 -0.692 0.000 1.359 498 A CA -0.345 51.341 52.037 -0.585 0.000 0.956 498 A CB -0.192 18.573 19.000 -0.392 0.000 1.155 498 A HN 0.669 nan 8.150 nan 0.000 0.544 499 W N 3.231 124.523 121.300 -0.013 0.000 2.471 499 W HA 0.530 5.189 4.660 -0.002 0.000 0.318 499 W C -0.318 176.125 176.519 -0.126 0.000 1.034 499 W CA -0.717 56.613 57.345 -0.026 0.000 1.224 499 W CB 1.221 30.715 29.460 0.057 0.000 1.335 499 W HN 0.421 nan 8.180 nan 0.000 0.452 500 L N 3.747 124.885 121.223 -0.141 0.000 2.416 500 L HA 0.287 4.626 4.340 -0.001 0.000 0.272 500 L C -0.417 176.414 176.870 -0.064 0.000 1.161 500 L CA -0.315 54.338 54.840 -0.312 0.000 0.845 500 L CB 0.265 41.896 42.059 -0.712 0.000 1.119 500 L HN 0.342 nan 8.230 nan 0.000 0.464 501 F N 4.088 123.923 119.950 -0.191 0.000 2.577 501 F HA 0.447 4.973 4.527 -0.002 0.000 0.344 501 F C -0.273 175.490 175.800 -0.061 0.000 1.145 501 F CA -0.542 57.376 58.000 -0.137 0.000 0.996 501 F CB 0.470 39.348 39.000 -0.204 0.000 1.248 501 F HN 0.567 nan 8.300 nan 0.000 0.447 502 H N 1.997 120.824 119.070 -0.406 0.000 2.977 502 H HA 0.540 5.095 4.556 -0.002 0.000 0.350 502 H C -1.228 173.952 175.328 -0.246 0.000 1.238 502 H CA -1.416 54.425 56.048 -0.345 0.000 1.124 502 H CB 0.995 30.661 29.762 -0.161 0.000 1.866 502 H HN 0.619 nan 8.280 nan 0.000 0.550 503 C N 1.926 121.182 119.300 -0.073 0.000 2.593 503 C HA 0.123 4.582 4.460 -0.001 0.000 0.409 503 C C 1.369 176.460 174.990 0.169 0.000 1.304 503 C CA -0.158 58.858 59.018 -0.003 0.000 2.007 503 C CB -0.757 26.962 27.740 -0.035 0.000 2.614 503 C HN 1.012 nan 8.230 nan 0.000 0.585 504 H N 3.683 122.814 119.070 0.102 0.000 2.547 504 H HA 0.251 4.806 4.556 -0.001 0.000 0.266 504 H C 0.570 175.904 175.328 0.010 0.000 0.988 504 H CA 0.504 56.637 56.048 0.142 0.000 1.147 504 H CB 0.095 29.925 29.762 0.114 0.000 1.365 504 H HN 0.656 nan 8.280 nan 0.000 0.589 505 I N 1.398 121.970 120.570 0.003 0.000 2.505 505 I HA -0.051 4.118 4.170 -0.001 0.000 0.287 505 I C 1.662 177.562 176.117 -0.362 0.000 1.104 505 I CA -0.147 60.978 61.300 -0.291 0.000 1.387 505 I CB 1.198 38.881 38.000 -0.528 0.000 1.404 505 I HN 0.122 nan 8.210 nan 0.000 0.528 506 A N 7.289 129.766 122.820 -0.570 0.000 1.927 506 A HA -0.199 4.121 4.320 -0.001 0.000 0.220 506 A C 1.850 179.314 177.584 -0.199 0.000 1.185 506 A CA 1.676 53.408 52.037 -0.510 0.000 0.639 506 A CB -0.699 17.747 19.000 -0.922 0.000 0.820 506 A HN 0.927 nan 8.150 nan 0.000 0.451 507 W N -1.364 119.891 121.300 -0.075 0.000 2.374 507 W HA -0.105 4.554 4.660 -0.002 0.000 0.288 507 W C 2.230 178.863 176.519 0.190 0.000 1.218 507 W CA 0.742 58.102 57.345 0.025 0.000 1.245 507 W CB -0.487 28.975 29.460 0.004 0.000 1.126 507 W HN 0.537 nan 8.180 nan 0.000 0.545 508 H N -0.780 118.361 119.070 0.119 0.000 2.372 508 H HA -0.094 4.462 4.556 -0.001 0.000 0.301 508 H C 2.394 177.702 175.328 -0.034 0.000 1.065 508 H CA 1.028 57.018 56.048 -0.097 0.000 1.364 508 H CB -0.248 29.239 29.762 -0.457 0.000 1.406 508 H HN -0.017 nan 8.280 nan 0.000 0.521 509 V N 0.276 120.243 119.914 0.089 0.000 2.548 509 V HA -0.190 3.930 4.120 -0.001 0.000 0.249 509 V C 2.031 178.157 176.094 0.052 0.000 1.055 509 V CA 1.637 63.955 62.300 0.029 0.000 1.065 509 V CB -0.154 31.646 31.823 -0.039 0.000 0.681 509 V HN 0.307 nan 8.190 nan 0.000 0.462 510 S N 0.487 116.255 115.700 0.113 0.000 2.383 510 S HA -0.053 4.417 4.470 -0.001 0.000 0.227 510 S C 1.793 176.485 174.600 0.153 0.000 1.026 510 S CA 1.217 59.496 58.200 0.131 0.000 0.981 510 S CB -0.469 62.852 63.200 0.202 0.000 0.818 510 S HN 0.764 nan 8.310 nan 0.000 0.472 511 G N -0.219 108.733 108.800 0.254 0.000 2.848 511 G HA2 0.347 4.306 3.960 -0.001 0.000 0.208 511 G HA3 0.347 4.306 3.960 -0.001 0.000 0.208 511 G C 0.918 175.967 174.900 0.249 0.000 1.152 511 G CA 0.552 45.842 45.100 0.317 0.000 0.789 511 G HN 0.786 nan 8.290 nan 0.000 0.531 512 G N -0.699 108.195 108.800 0.157 0.000 2.184 512 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.206 512 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.206 512 G C 0.397 175.334 174.900 0.062 0.000 0.995 512 G CA -0.034 45.116 45.100 0.083 0.000 0.651 512 G HN 0.475 nan 8.290 nan 0.000 0.511 513 L N 2.323 123.587 121.223 0.068 0.000 2.505 513 L HA 0.584 4.924 4.340 -0.001 0.000 0.279 513 L C 0.402 177.222 176.870 -0.083 0.000 1.211 513 L CA 0.668 55.483 54.840 -0.041 0.000 1.059 513 L CB 0.202 42.128 42.059 -0.222 0.000 1.340 513 L HN 0.302 nan 8.230 nan 0.000 0.447 514 S N 2.213 117.858 115.700 -0.091 0.000 2.597 514 S HA 0.645 5.114 4.470 -0.001 0.000 0.274 514 S C -1.001 173.510 174.600 -0.147 0.000 1.132 514 S CA -0.415 57.713 58.200 -0.121 0.000 0.835 514 S CB 1.458 64.587 63.200 -0.119 0.000 1.092 514 S HN 0.292 nan 8.310 nan 0.000 0.457 515 V N 0.362 120.159 119.914 -0.196 0.000 3.141 515 V HA 0.866 4.985 4.120 -0.001 0.000 0.312 515 V C -1.470 174.420 176.094 -0.339 0.000 1.157 515 V CA -0.748 61.384 62.300 -0.280 0.000 1.041 515 V CB 2.005 33.594 31.823 -0.390 0.000 1.071 515 V HN 0.844 nan 8.190 nan 0.000 0.441 516 D N 0.752 120.928 120.400 -0.373 0.000 2.469 516 D HA 0.421 5.061 4.640 -0.001 0.000 0.251 516 D C -1.351 174.775 176.300 -0.291 0.000 1.173 516 D CA -0.422 53.393 54.000 -0.308 0.000 0.882 516 D CB 1.147 41.787 40.800 -0.266 0.000 1.129 516 D HN 0.385 nan 8.370 nan 0.000 0.549 517 F N 3.466 123.356 119.950 -0.099 0.000 2.468 517 F HA 0.197 4.723 4.527 -0.002 0.000 0.356 517 F C 0.629 176.409 175.800 -0.032 0.000 1.167 517 F CA -0.668 57.294 58.000 -0.064 0.000 1.135 517 F CB 0.532 39.528 39.000 -0.007 0.000 1.197 517 F HN 0.274 nan 8.300 nan 0.000 0.569 518 L N 4.834 126.107 121.223 0.084 0.000 2.356 518 L HA 0.223 4.562 4.340 -0.001 0.000 0.282 518 L C 0.217 177.146 176.870 0.098 0.000 1.132 518 L CA 0.035 54.857 54.840 -0.029 0.000 0.923 518 L CB -0.085 41.855 42.059 -0.199 0.000 1.278 518 L HN 0.504 nan 8.230 nan 0.000 0.436 519 E N 4.547 124.850 120.200 0.172 0.000 2.194 519 E HA 0.230 4.579 4.350 -0.001 0.000 0.284 519 E C -0.149 176.547 176.600 0.160 0.000 1.035 519 E CA -0.544 56.004 56.400 0.245 0.000 0.836 519 E CB 0.331 30.315 29.700 0.473 0.000 1.070 519 E HN 0.492 nan 8.360 nan 0.000 0.401 520 R N 3.664 124.240 120.500 0.127 0.000 3.092 520 R HA -0.148 4.191 4.340 -0.001 0.000 0.245 520 R C -1.833 174.509 176.300 0.070 0.000 0.881 520 R CA 0.255 56.411 56.100 0.093 0.000 0.614 520 R CB -0.932 29.425 30.300 0.095 0.000 1.128 520 R HN 0.602 nan 8.270 nan 0.000 0.483 521 P HA -0.283 nan 4.420 nan 0.000 0.217 521 P C 1.169 178.499 177.300 0.050 0.000 1.148 521 P CA 2.086 65.216 63.100 0.049 0.000 0.828 521 P CB 0.156 31.903 31.700 0.078 0.000 0.783 522 A N 0.342 123.194 122.820 0.054 0.000 1.930 522 A HA -0.169 4.150 4.320 -0.001 0.000 0.217 522 A C 2.016 179.622 177.584 0.038 0.000 1.175 522 A CA 1.868 53.932 52.037 0.045 0.000 0.627 522 A CB -1.057 17.970 19.000 0.044 0.000 0.815 522 A HN 0.088 nan 8.150 nan 0.000 0.443 523 D N -0.602 119.823 120.400 0.042 0.000 2.194 523 D HA -0.058 4.581 4.640 -0.001 0.000 0.204 523 D C 1.831 178.153 176.300 0.037 0.000 0.964 523 D CA 0.842 54.867 54.000 0.041 0.000 0.846 523 D CB -0.247 40.584 40.800 0.051 0.000 0.962 523 D HN 0.364 nan 8.370 nan 0.000 0.490 524 L N 1.280 122.522 121.223 0.031 0.000 2.046 524 L HA -0.097 4.242 4.340 -0.001 0.000 0.208 524 L C 2.231 179.098 176.870 -0.005 0.000 1.077 524 L CA 1.643 56.488 54.840 0.009 0.000 0.747 524 L CB -0.340 41.706 42.059 -0.021 0.000 0.896 524 L HN -0.176 nan 8.230 nan 0.000 0.432 525 R N -1.003 119.496 120.500 -0.001 0.000 2.096 525 R HA -0.167 4.172 4.340 -0.001 0.000 0.235 525 R C 2.280 178.580 176.300 0.001 0.000 1.127 525 R CA 1.783 57.879 56.100 -0.007 0.000 0.968 525 R CB -0.148 30.156 30.300 0.005 0.000 0.861 525 R HN 0.589 nan 8.270 nan 0.000 0.440 526 Q N -0.554 119.254 119.800 0.013 0.000 2.167 526 Q HA -0.120 4.219 4.340 -0.001 0.000 0.202 526 Q C 1.806 177.818 176.000 0.020 0.000 0.970 526 Q CA 1.185 56.999 55.803 0.017 0.000 0.855 526 Q CB 0.130 28.881 28.738 0.022 0.000 0.911 526 Q HN 0.294 nan 8.270 nan 0.000 0.438 527 R N 0.024 120.538 120.500 0.023 0.000 2.297 527 R HA 0.158 4.497 4.340 -0.001 0.000 0.197 527 R C 0.260 176.578 176.300 0.030 0.000 0.943 527 R CA 0.030 56.150 56.100 0.032 0.000 1.038 527 R CB 0.267 30.594 30.300 0.046 0.000 0.957 527 R HN 0.144 nan 8.270 nan 0.000 0.484 528 I N 2.532 123.109 120.570 0.011 0.000 2.379 528 I HA -0.020 4.150 4.170 -0.001 0.000 0.290 528 I C 0.699 176.825 176.117 0.016 0.000 1.063 528 I CA -0.230 61.072 61.300 0.003 0.000 1.351 528 I CB 0.911 38.884 38.000 -0.045 0.000 1.410 528 I HN 0.121 nan 8.210 nan 0.000 0.505 529 S N 4.360 120.082 115.700 0.036 0.000 2.584 529 S HA 0.028 4.497 4.470 -0.001 0.000 0.270 529 S C 0.793 175.415 174.600 0.036 0.000 1.346 529 S CA -0.520 57.704 58.200 0.040 0.000 1.018 529 S CB 1.530 64.763 63.200 0.054 0.000 0.899 529 S HN 0.649 nan 8.310 nan 0.000 0.542 530 Q N 0.859 120.679 119.800 0.033 0.000 2.124 530 Q HA -0.112 4.227 4.340 -0.001 0.000 0.202 530 Q C 1.708 177.733 176.000 0.042 0.000 0.977 530 Q CA 2.087 57.910 55.803 0.033 0.000 0.850 530 Q CB -0.458 28.296 28.738 0.027 0.000 0.901 530 Q HN 0.905 nan 8.270 nan 0.000 0.429 531 E N -0.042 120.185 120.200 0.046 0.000 2.072 531 E HA -0.141 4.208 4.350 -0.001 0.000 0.191 531 E C 1.554 178.193 176.600 0.065 0.000 0.985 531 E CA 1.383 57.814 56.400 0.052 0.000 0.801 531 E CB -0.089 29.643 29.700 0.053 0.000 0.750 531 E HN 0.380 nan 8.360 nan 0.000 0.452 532 D N 0.074 120.521 120.400 0.078 0.000 2.144 532 D HA -0.144 4.495 4.640 -0.001 0.000 0.200 532 D C 1.814 178.157 176.300 0.072 0.000 0.978 532 D CA 0.902 54.946 54.000 0.073 0.000 0.833 532 D CB -0.092 40.762 40.800 0.090 0.000 0.961 532 D HN 0.249 nan 8.370 nan 0.000 0.470 533 E N 0.458 120.693 120.200 0.059 0.000 2.047 533 E HA -0.173 4.176 4.350 -0.001 0.000 0.191 533 E C 1.200 177.885 176.600 0.142 0.000 0.987 533 E CA 1.148 57.594 56.400 0.076 0.000 0.799 533 E CB 0.177 29.898 29.700 0.035 0.000 0.752 533 E HN 0.056 nan 8.360 nan 0.000 0.449 534 D N 0.456 120.911 120.400 0.092 0.000 2.117 534 D HA -0.159 4.481 4.640 -0.001 0.000 0.197 534 D C 1.534 177.878 176.300 0.074 0.000 0.987 534 D CA 1.352 55.398 54.000 0.077 0.000 0.829 534 D CB -0.378 40.452 40.800 0.049 0.000 0.961 534 D HN 0.244 nan 8.370 nan 0.000 0.460 535 D N -0.999 119.442 120.400 0.067 0.000 2.149 535 D HA -0.109 4.530 4.640 -0.001 0.000 0.201 535 D C 1.739 178.059 176.300 0.034 0.000 0.972 535 D CA 0.290 54.308 54.000 0.030 0.000 0.835 535 D CB -0.088 40.712 40.800 0.001 0.000 0.966 535 D HN 0.091 nan 8.370 nan 0.000 0.476 536 F N 1.044 120.961 119.950 -0.054 0.000 2.102 536 F HA -0.178 4.348 4.527 -0.002 0.000 0.298 536 F C 1.897 177.690 175.800 -0.011 0.000 1.105 536 F CA 1.305 59.276 58.000 -0.049 0.000 1.239 536 F CB -0.323 38.651 39.000 -0.042 0.000 0.991 536 F HN -0.083 nan 8.300 nan 0.000 0.474 537 N N 0.632 119.374 118.700 0.070 0.000 2.188 537 N HA -0.182 4.557 4.740 -0.001 0.000 0.184 537 N C 2.083 177.557 175.510 -0.059 0.000 1.018 537 N CA 1.238 54.283 53.050 -0.008 0.000 0.858 537 N CB -0.583 37.974 38.487 0.117 0.000 0.989 537 N HN 0.401 nan 8.380 nan 0.000 0.426 538 R N 1.036 121.519 120.500 -0.028 0.000 2.070 538 R HA -0.063 4.276 4.340 -0.001 0.000 0.233 538 R C 1.867 178.145 176.300 -0.036 0.000 1.137 538 R CA 1.281 57.369 56.100 -0.020 0.000 0.945 538 R CB -0.266 30.029 30.300 -0.008 0.000 0.845 538 R HN -0.036 nan 8.270 nan 0.000 0.430 539 V N 0.381 120.248 119.914 -0.078 0.000 2.407 539 V HA -0.307 3.812 4.120 -0.001 0.000 0.248 539 V C 2.573 178.642 176.094 -0.042 0.000 1.055 539 V CA 1.708 63.966 62.300 -0.069 0.000 1.049 539 V CB -0.524 31.224 31.823 -0.125 0.000 0.662 539 V HN 0.539 nan 8.190 nan 0.000 0.455 540 c N 0.002 118.496 118.600 -0.176 0.000 2.440 540 c HA -0.127 4.442 4.570 -0.001 0.000 0.278 540 c C 2.517 176.628 174.090 0.035 0.000 1.295 540 c CA 0.836 57.092 56.329 -0.120 0.000 1.738 540 c CB -0.992 41.286 42.510 -0.386 0.000 1.987 540 c HN 0.597 nan 8.230 nan 0.000 0.492 541 D N 0.492 120.896 120.400 0.005 0.000 2.144 541 D HA -0.091 4.548 4.640 -0.001 0.000 0.200 541 D C 2.125 178.466 176.300 0.067 0.000 0.978 541 D CA 1.074 55.095 54.000 0.035 0.000 0.833 541 D CB -0.418 40.393 40.800 0.019 0.000 0.961 541 D HN 0.605 nan 8.370 nan 0.000 0.470 542 E N -0.170 120.080 120.200 0.084 0.000 2.106 542 E HA -0.123 4.226 4.350 -0.001 0.000 0.192 542 E C 1.958 178.676 176.600 0.197 0.000 0.984 542 E CA 0.324 56.792 56.400 0.113 0.000 0.806 542 E CB -0.058 29.698 29.700 0.094 0.000 0.750 542 E HN 0.425 nan 8.360 nan 0.000 0.458 543 W N 1.924 123.265 121.300 0.069 0.000 2.409 543 W HA -0.108 4.551 4.660 -0.002 0.000 0.299 543 W C 1.756 178.409 176.519 0.223 0.000 1.203 543 W CA 0.998 58.433 57.345 0.151 0.000 1.298 543 W CB -0.042 29.457 29.460 0.065 0.000 1.127 543 W HN -0.051 nan 8.180 nan 0.000 0.528 544 R N 0.239 120.780 120.500 0.068 0.000 2.120 544 R HA -0.115 4.224 4.340 -0.001 0.000 0.234 544 R C 2.426 178.708 176.300 -0.030 0.000 1.123 544 R CA 1.443 57.545 56.100 0.003 0.000 0.975 544 R CB -0.584 29.762 30.300 0.076 0.000 0.866 544 R HN 0.137 nan 8.270 nan 0.000 0.446 545 A N 0.015 122.833 122.820 -0.004 0.000 1.970 545 A HA -0.168 4.151 4.320 -0.001 0.000 0.216 545 A C 1.868 179.413 177.584 -0.065 0.000 1.170 545 A CA 0.787 52.814 52.037 -0.016 0.000 0.645 545 A CB -0.449 18.564 19.000 0.021 0.000 0.816 545 A HN 0.416 nan 8.150 nan 0.000 0.447 546 Y N -1.121 119.094 120.300 -0.141 0.000 2.184 546 Y HA -0.187 4.362 4.550 -0.002 0.000 0.290 546 Y C 2.261 178.007 175.900 -0.257 0.000 1.129 546 Y CA 1.393 59.380 58.100 -0.188 0.000 1.144 546 Y CB -0.624 37.727 38.460 -0.181 0.000 0.995 546 Y HN 0.509 nan 8.280 nan 0.000 0.513 547 W N 2.179 122.944 121.300 -0.893 0.000 2.275 547 W HA -0.261 4.398 4.660 -0.001 0.000 0.321 547 W C -0.956 175.241 176.519 -0.536 0.000 1.269 547 W CA 2.326 59.188 57.345 -0.805 0.000 1.274 547 W CB -1.528 27.547 29.460 -0.641 0.000 1.141 547 W HN 0.203 nan 8.180 nan 0.000 0.493 548 P HA -0.140 nan 4.420 nan 0.000 0.225 548 P C 1.568 178.552 177.300 -0.526 0.000 1.148 548 P CA 2.811 65.620 63.100 -0.485 0.000 0.779 548 P CB -0.453 31.096 31.700 -0.251 0.000 0.780 549 T N -5.555 108.630 114.554 -0.615 0.000 3.081 549 T HA 0.038 4.387 4.350 -0.001 0.000 0.255 549 T C 0.833 175.191 174.700 -0.571 0.000 1.113 549 T CA -0.197 61.592 62.100 -0.519 0.000 1.082 549 T CB -0.981 67.635 68.868 -0.419 0.000 0.939 549 T HN -0.087 nan 8.240 nan 0.000 0.506 550 N N 3.467 121.686 118.700 -0.800 0.000 2.452 550 N HA 0.182 4.921 4.740 -0.001 0.000 0.266 550 N C -1.148 174.075 175.510 -0.478 0.000 1.209 550 N CA -1.576 51.132 53.050 -0.569 0.000 0.929 550 N CB 1.144 39.263 38.487 -0.613 0.000 1.063 550 N HN 0.115 nan 8.380 nan 0.000 0.472 551 P HA -0.014 nan 4.420 nan 0.000 0.241 551 P C -0.913 176.169 177.300 -0.364 0.000 1.191 551 P CA 0.722 63.555 63.100 -0.445 0.000 0.771 551 P CB 0.177 31.537 31.700 -0.566 0.000 0.929 552 Y N 1.560 121.841 120.300 -0.032 0.000 2.429 552 Y HA 0.477 5.026 4.550 -0.001 0.000 0.342 552 Y C -1.911 174.056 175.900 0.112 0.000 1.004 552 Y CA -3.760 54.382 58.100 0.069 0.000 1.075 552 Y CB 0.794 39.358 38.460 0.173 0.000 1.214 552 Y HN -0.101 nan 8.280 nan 0.000 0.455 553 P HA 0.230 nan 4.420 nan 0.000 0.280 553 P C -1.167 176.434 177.300 0.501 0.000 1.272 553 P CA -0.916 62.406 63.100 0.369 0.000 0.819 553 P CB 1.532 33.371 31.700 0.233 0.000 1.122 554 K N 1.728 122.438 120.400 0.516 0.000 2.310 554 K HA 0.199 4.518 4.320 -0.001 0.000 0.290 554 K C 1.141 177.817 176.600 0.126 0.000 1.077 554 K CA -0.324 56.125 56.287 0.270 0.000 0.922 554 K CB -0.370 32.066 32.500 -0.107 0.000 1.057 554 K HN 0.413 nan 8.250 nan 0.000 0.479 555 I N 0.163 120.816 120.570 0.138 0.000 3.728 555 I HA 0.109 4.278 4.170 -0.001 0.000 0.307 555 I C 0.016 176.172 176.117 0.067 0.000 1.276 555 I CA -0.241 61.127 61.300 0.113 0.000 1.285 555 I CB -0.127 37.966 38.000 0.155 0.000 1.038 555 I HN 0.498 nan 8.210 nan 0.000 0.445 556 D N 0.312 120.718 120.400 0.010 0.000 2.898 556 D HA 0.164 4.803 4.640 -0.001 0.000 0.266 556 D C 1.180 177.413 176.300 -0.112 0.000 1.173 556 D CA 0.217 54.213 54.000 -0.007 0.000 1.078 556 D CB 0.291 41.126 40.800 0.058 0.000 1.326 556 D HN -0.054 nan 8.370 nan 0.000 0.622 557 S N -1.849 113.800 115.700 -0.086 0.000 2.423 557 S HA 0.203 4.672 4.470 -0.001 0.000 0.231 557 S C 1.871 176.303 174.600 -0.280 0.000 1.014 557 S CA 1.363 59.473 58.200 -0.150 0.000 0.965 557 S CB -0.862 62.288 63.200 -0.083 0.000 0.785 557 S HN 1.641 nan 8.310 nan 0.000 0.495 558 G N 0.311 108.967 108.800 -0.241 0.000 2.176 558 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.232 558 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.232 558 G C -0.057 174.909 174.900 0.109 0.000 0.986 558 G CA 0.258 45.210 45.100 -0.246 0.000 0.643 558 G HN 0.535 nan 8.290 nan 0.000 0.522 559 L N 0.000 121.239 121.223 0.026 0.000 2.949 559 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 559 L CA 0.000 54.893 54.840 0.088 0.000 0.813 559 L CB 0.000 41.989 42.059 -0.116 0.000 0.961 559 L HN 0.000 nan 8.230 nan 0.000 0.502