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 1ggo_1_A DATA FIRST_RESID 2 DATA SEQUENCE AKWVYKFEEG NASMRNLLGG KGCNLAEMTI LGMPIPQGFT VTTEACTEYY DATA SEQUENCE NSGKQITQEI QDQIFEAITW LEELNGKKFG DTEDPLLVSV RSGARASMPG DATA SEQUENCE MMDTILNLGL NDVAVEGFAK KTGNPRFAYD SYRRFIQMYS DVVMEVPKSH DATA SEQUENCE FEKIIDAMKE EKGVHFDTDL TADDLKELAE KFKAVYKEAM NGEEFPQEPK DATA SEQUENCE DQLMGAVKAV FRSWDNPRAI VYRRMNDIPG DWGTAVNVQT MVFGNKGETS DATA SEQUENCE GTGVAFTRNP STGEKGIYGE YLINAQGEDV VAGVRTPQPI TQLENDMPDC DATA SEQUENCE YKQFMDLAMK LEKHFRDMQD MEFTIEEGKL YFLQTRNGKR TAPAALQIAC DATA SEQUENCE DLVDEGMITE EEAVVRIEAK SLDQLLHPTF NPAALKAGEV IGSALPASPG DATA SEQUENCE AAAGKVYFTA DEAKAAHEKG ERVILVRLET SPEDIEGMHA AEGILTVRGG DATA SEQUENCE MASHAAVVAR GMGTCCVSGC GEIKINEEAK TFELGGHTFA EGDYISLDGS DATA SEQUENCE TGKIXXXXIE TQEASVSGSF ERIMVWADKF RTLKVRTNAD TPEDTLNAVK DATA SEQUENCE LGAEGIGLCR TEHMFFEADR IMKIRKMILS DSVEAREEAL NELIPFQKGD DATA SEQUENCE FKAMYKALEG RPMTVRYLDP PLHEFVPHTE EEQAELAKNM GLTLAEVKAK DATA SEQUENCE VDELHEFNPM MGHRGCRLAV TYPEIAKMQT RAVMEAAIEV KEETGIDIVP DATA SEQUENCE EIMIPLVGEK KELKFVKDVV VEVAEQVKKE KGSDMQYHIG TMIEIPRAAL DATA SEQUENCE TADAIAEEAE FFSFGTNDLT QMTFGFSRDD AGKFLDSYYK AKIYESDPFA DATA SEQUENCE RLDQTGVGQL VEMAVKKGRQ TRPGLKCGIC GEHGGDPSSV EFCHKVGLNY DATA SEQUENCE VSCSPFRVPI ARLAAAQAAL NNK 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.254 177.584 -0.550 0.000 1.274 2 A CA 0.000 51.979 52.037 -0.096 0.000 0.836 2 A CB 0.000 18.949 19.000 -0.085 0.000 0.831 3 K N -0.350 119.866 120.400 -0.307 0.000 4.971 3 K HA -0.230 4.117 4.320 0.045 0.000 0.296 3 K C -0.523 175.861 176.600 -0.361 0.000 0.724 3 K CA 1.470 57.542 56.287 -0.358 0.000 0.844 3 K CB -0.727 31.567 32.500 -0.344 0.000 1.993 3 K HN 0.583 nan 8.250 nan 0.000 0.384 4 W N 0.468 121.770 121.300 0.003 0.000 2.975 4 W HA 0.200 4.887 4.660 0.045 0.000 0.316 4 W C 0.007 176.609 176.519 0.138 0.000 1.131 4 W CA -0.219 57.181 57.345 0.092 0.000 1.624 4 W CB 0.917 30.410 29.460 0.056 0.000 1.038 4 W HN 0.013 nan 8.180 nan 0.000 0.571 5 V N 0.488 120.535 119.914 0.222 0.000 2.638 5 V HA 0.387 4.534 4.120 0.045 0.000 0.306 5 V C -1.418 174.688 176.094 0.020 0.000 1.052 5 V CA -1.180 61.238 62.300 0.197 0.000 0.885 5 V CB 1.605 33.474 31.823 0.077 0.000 0.999 5 V HN -0.214 nan 8.190 nan 0.000 0.424 6 Y N 2.390 122.728 120.300 0.064 0.000 2.409 6 Y HA 0.509 5.086 4.550 0.045 0.000 0.343 6 Y C 0.549 176.457 175.900 0.013 0.000 0.973 6 Y CA -1.049 57.055 58.100 0.006 0.000 1.064 6 Y CB 1.884 40.362 38.460 0.030 0.000 1.207 6 Y HN 0.495 nan 8.280 nan 0.000 0.452 7 K N 2.359 122.744 120.400 -0.024 0.000 2.258 7 K HA 0.096 4.443 4.320 0.045 0.000 0.264 7 K C 0.280 176.994 176.600 0.190 0.000 1.007 7 K CA -0.314 55.888 56.287 -0.141 0.000 0.941 7 K CB 0.508 32.696 32.500 -0.520 0.000 0.966 7 K HN 0.534 nan 8.250 nan 0.000 0.480 8 F N 1.730 121.773 119.950 0.156 0.000 2.202 8 F HA -0.162 4.392 4.527 0.045 0.000 0.301 8 F C 2.086 177.953 175.800 0.112 0.000 1.082 8 F CA 1.448 59.535 58.000 0.146 0.000 1.313 8 F CB -0.624 38.483 39.000 0.178 0.000 1.024 8 F HN 0.658 nan 8.300 nan 0.000 0.495 9 E N -0.087 120.290 120.200 0.296 0.000 2.427 9 E HA -0.116 4.261 4.350 0.045 0.000 0.196 9 E C 1.064 177.735 176.600 0.118 0.000 1.028 9 E CA 0.729 57.238 56.400 0.182 0.000 0.864 9 E CB -0.531 29.269 29.700 0.167 0.000 0.813 9 E HN 0.478 nan 8.360 nan 0.000 0.514 10 E N 1.190 121.463 120.200 0.120 0.000 2.489 10 E HA 0.149 4.526 4.350 0.045 0.000 0.193 10 E C 0.511 177.210 176.600 0.165 0.000 1.057 10 E CA 0.110 56.584 56.400 0.123 0.000 0.866 10 E CB 0.758 30.525 29.700 0.112 0.000 0.916 10 E HN 0.309 nan 8.360 nan 0.000 0.500 11 G N 0.915 109.795 108.800 0.133 0.000 2.827 11 G HA2 0.463 4.450 3.960 0.045 0.000 0.296 11 G HA3 0.463 4.450 3.960 0.045 0.000 0.296 11 G C -1.152 173.779 174.900 0.051 0.000 1.362 11 G CA -0.590 44.551 45.100 0.068 0.000 0.809 11 G HN 0.239 nan 8.290 nan 0.000 0.522 12 N N -3.649 115.063 118.700 0.019 0.000 3.387 12 N HA 0.500 5.267 4.740 0.045 0.000 0.294 12 N C 1.167 176.688 175.510 0.019 0.000 1.519 12 N CA 0.236 53.302 53.050 0.028 0.000 0.875 12 N CB 0.732 39.233 38.487 0.025 0.000 1.657 12 N HN 0.895 nan 8.380 nan 0.000 0.527 13 A N 0.282 123.132 122.820 0.050 0.000 1.958 13 A HA -0.173 4.174 4.320 0.045 0.000 0.221 13 A C 1.960 179.544 177.584 0.000 0.000 1.178 13 A CA 2.430 54.501 52.037 0.057 0.000 0.642 13 A CB -1.621 17.441 19.000 0.103 0.000 0.816 13 A HN 0.606 nan 8.150 nan 0.000 0.453 14 S N 0.443 116.134 115.700 -0.015 0.000 2.389 14 S HA -0.255 4.242 4.470 0.045 0.000 0.229 14 S C 1.532 176.092 174.600 -0.067 0.000 1.048 14 S CA 1.977 60.153 58.200 -0.040 0.000 1.117 14 S CB -0.677 62.499 63.200 -0.040 0.000 1.020 14 S HN 0.811 nan 8.310 nan 0.000 0.430 15 M N 1.719 121.269 119.600 -0.084 0.000 3.663 15 M HA 0.323 4.830 4.480 0.045 0.000 0.198 15 M C 1.123 177.344 176.300 -0.131 0.000 1.365 15 M CA 0.144 55.367 55.300 -0.128 0.000 1.595 15 M CB -0.426 32.064 32.600 -0.184 0.000 1.120 15 M HN 0.110 nan 8.290 nan 0.000 0.522 16 R N 2.381 122.814 120.500 -0.111 0.000 2.096 16 R HA -0.177 4.190 4.340 0.045 0.000 0.235 16 R C 2.049 178.251 176.300 -0.162 0.000 1.127 16 R CA 2.311 58.342 56.100 -0.115 0.000 0.968 16 R CB -0.179 30.058 30.300 -0.105 0.000 0.861 16 R HN 0.795 nan 8.270 nan 0.000 0.440 17 N N 0.999 119.578 118.700 -0.201 0.000 2.142 17 N HA -0.224 4.543 4.740 0.045 0.000 0.186 17 N C 1.929 177.317 175.510 -0.203 0.000 1.023 17 N CA 1.288 54.183 53.050 -0.259 0.000 0.852 17 N CB -0.644 37.685 38.487 -0.264 0.000 0.998 17 N HN 0.328 nan 8.380 nan 0.000 0.424 18 L N -0.014 121.097 121.223 -0.186 0.000 2.027 18 L HA 0.033 4.401 4.340 0.045 0.000 0.206 18 L C 1.889 178.661 176.870 -0.162 0.000 1.074 18 L CA 1.141 55.863 54.840 -0.196 0.000 0.745 18 L CB -0.049 41.842 42.059 -0.280 0.000 0.898 18 L HN 0.121 nan 8.230 nan 0.000 0.433 19 L N -0.976 120.159 121.223 -0.147 0.000 2.640 19 L HA 0.343 4.710 4.340 0.045 0.000 0.230 19 L C 0.891 177.739 176.870 -0.037 0.000 1.123 19 L CA 0.272 55.072 54.840 -0.068 0.000 0.900 19 L CB -0.050 41.978 42.059 -0.051 0.000 1.146 19 L HN 0.379 nan 8.230 nan 0.000 0.484 20 G N -0.202 108.552 108.800 -0.076 0.000 2.796 20 G HA2 -0.162 3.826 3.960 0.045 0.000 0.571 20 G HA3 -0.162 3.826 3.960 0.045 0.000 0.571 20 G C 0.568 175.435 174.900 -0.053 0.000 1.370 20 G CA -0.460 44.601 45.100 -0.065 0.000 0.856 20 G HN 0.206 nan 8.290 nan 0.000 0.538 21 G N -0.178 108.602 108.800 -0.034 0.000 2.505 21 G HA2 -0.050 3.937 3.960 0.045 0.000 0.214 21 G HA3 -0.050 3.937 3.960 0.045 0.000 0.214 21 G C 1.648 176.525 174.900 -0.038 0.000 1.237 21 G CA 1.575 46.656 45.100 -0.032 0.000 0.802 21 G HN 0.935 nan 8.290 nan 0.000 0.549 22 K N 0.696 121.080 120.400 -0.026 0.000 2.160 22 K HA -0.079 4.269 4.320 0.045 0.000 0.206 22 K C 2.621 179.187 176.600 -0.057 0.000 1.047 22 K CA 0.851 57.114 56.287 -0.041 0.000 0.930 22 K CB -0.505 31.986 32.500 -0.015 0.000 0.720 22 K HN 0.284 nan 8.250 nan 0.000 0.450 23 G N 2.345 111.132 108.800 -0.021 0.000 2.679 23 G HA2 -0.385 3.602 3.960 0.045 0.000 0.217 23 G HA3 -0.385 3.602 3.960 0.045 0.000 0.217 23 G C 1.978 176.855 174.900 -0.038 0.000 1.267 23 G CA 1.622 46.724 45.100 0.003 0.000 0.799 23 G HN 0.561 nan 8.290 nan 0.000 0.606 24 C N 0.430 119.710 119.300 -0.032 0.000 2.401 24 C HA -0.060 4.427 4.460 0.045 0.000 0.276 24 C C 2.565 177.555 174.990 0.000 0.000 1.233 24 C CA 1.031 60.039 59.018 -0.016 0.000 1.753 24 C CB -1.671 26.062 27.740 -0.011 0.000 2.029 24 C HN 0.419 nan 8.230 nan 0.000 0.478 25 N N 1.468 120.156 118.700 -0.020 0.000 2.043 25 N HA -0.043 4.724 4.740 0.045 0.000 0.193 25 N C 1.755 177.236 175.510 -0.048 0.000 1.037 25 N CA 1.542 54.594 53.050 0.004 0.000 0.851 25 N CB -0.474 37.959 38.487 -0.090 0.000 1.027 25 N HN 0.553 nan 8.380 nan 0.000 0.422 26 L N 0.172 121.272 121.223 -0.205 0.000 2.012 26 L HA -0.190 4.178 4.340 0.045 0.000 0.210 26 L C 2.266 178.851 176.870 -0.475 0.000 1.073 26 L CA 1.300 55.865 54.840 -0.459 0.000 0.748 26 L CB -0.490 41.030 42.059 -0.898 0.000 0.891 26 L HN 0.242 nan 8.230 nan 0.000 0.431 27 A N -0.566 122.055 122.820 -0.333 0.000 1.972 27 A HA -0.252 4.095 4.320 0.045 0.000 0.219 27 A C 2.121 179.700 177.584 -0.010 0.000 1.169 27 A CA 1.844 53.830 52.037 -0.085 0.000 0.635 27 A CB -0.395 18.629 19.000 0.041 0.000 0.810 27 A HN 0.423 nan 8.150 nan 0.000 0.446 28 E N -0.082 120.126 120.200 0.012 0.000 2.072 28 E HA -0.111 4.266 4.350 0.045 0.000 0.191 28 E C 2.000 178.595 176.600 -0.007 0.000 0.985 28 E CA 1.511 57.949 56.400 0.063 0.000 0.801 28 E CB -0.337 29.498 29.700 0.225 0.000 0.750 28 E HN 0.603 nan 8.360 nan 0.000 0.452 29 M N -0.270 119.330 119.600 -0.000 0.000 2.213 29 M HA -0.129 4.378 4.480 0.045 0.000 0.263 29 M C 2.081 178.349 176.300 -0.054 0.000 1.062 29 M CA 1.660 56.931 55.300 -0.048 0.000 1.105 29 M CB -0.366 32.224 32.600 -0.017 0.000 1.385 29 M HN 0.127 nan 8.290 nan 0.000 0.417 30 T N 1.094 115.638 114.554 -0.017 0.000 2.701 30 T HA -0.079 4.298 4.350 0.045 0.000 0.263 30 T C 1.674 176.392 174.700 0.029 0.000 1.040 30 T CA 1.118 63.248 62.100 0.049 0.000 1.147 30 T CB -0.148 68.802 68.868 0.138 0.000 0.865 30 T HN 0.118 nan 8.240 nan 0.000 0.426 31 I N 1.236 121.815 120.570 0.014 0.000 2.423 31 I HA -0.071 4.126 4.170 0.045 0.000 0.254 31 I C 2.075 178.160 176.117 -0.054 0.000 1.151 31 I CA 0.735 62.034 61.300 -0.001 0.000 1.421 31 I CB -0.807 37.195 38.000 0.004 0.000 1.079 31 I HN 0.250 nan 8.210 nan 0.000 0.431 32 L N -0.231 120.923 121.223 -0.115 0.000 2.044 32 L HA 0.050 4.417 4.340 0.045 0.000 0.205 32 L C 1.475 178.277 176.870 -0.113 0.000 1.075 32 L CA 1.143 55.875 54.840 -0.179 0.000 0.747 32 L CB -0.635 41.233 42.059 -0.318 0.000 0.903 32 L HN 0.469 nan 8.230 nan 0.000 0.435 33 G N -0.149 108.605 108.800 -0.076 0.000 2.337 33 G HA2 -0.155 3.832 3.960 0.045 0.000 0.134 33 G HA3 -0.155 3.832 3.960 0.045 0.000 0.134 33 G C -0.207 174.661 174.900 -0.054 0.000 1.052 33 G CA -0.522 44.553 45.100 -0.041 0.000 0.737 33 G HN 0.045 nan 8.290 nan 0.000 0.485 34 M N 1.114 120.677 119.600 -0.062 0.000 2.444 34 M HA 0.409 4.917 4.480 0.045 0.000 0.319 34 M C -1.653 174.654 176.300 0.013 0.000 1.183 34 M CA -2.056 53.196 55.300 -0.080 0.000 1.032 34 M CB 1.373 33.873 32.600 -0.168 0.000 1.569 34 M HN 0.023 nan 8.290 nan 0.000 0.468 35 P HA 0.141 nan 4.420 nan 0.000 0.249 35 P C -1.380 176.073 177.300 0.255 0.000 1.737 35 P CA 0.332 63.495 63.100 0.106 0.000 1.128 35 P CB -1.087 30.614 31.700 0.003 0.000 1.942 36 I N -0.497 120.230 120.570 0.261 0.000 2.545 36 I HA 0.626 4.824 4.170 0.045 0.000 0.292 36 I C -2.965 173.318 176.117 0.277 0.000 1.040 36 I CA -3.622 57.860 61.300 0.304 0.000 1.068 36 I CB 2.293 40.422 38.000 0.214 0.000 1.251 36 I HN -0.194 nan 8.210 nan 0.000 0.424 37 P HA 0.096 nan 4.420 nan 0.000 0.265 37 P C -0.640 176.789 177.300 0.215 0.000 1.222 37 P CA -0.003 63.172 63.100 0.124 0.000 0.767 37 P CB 0.426 32.129 31.700 0.005 0.000 0.801 38 Q N 1.754 121.653 119.800 0.166 0.000 2.540 38 Q HA 0.434 4.802 4.340 0.045 0.000 0.256 38 Q C 0.865 176.876 176.000 0.017 0.000 1.084 38 Q CA 0.799 56.730 55.803 0.213 0.000 0.956 38 Q CB 0.525 29.317 28.738 0.090 0.000 1.303 38 Q HN 0.687 nan 8.270 nan 0.000 0.509 39 G N -0.257 108.367 108.800 -0.293 0.000 2.490 39 G HA2 0.549 4.536 3.960 0.045 0.000 0.308 39 G HA3 0.549 4.536 3.960 0.045 0.000 0.308 39 G C -1.783 172.595 174.900 -0.869 0.000 1.286 39 G CA -0.579 44.140 45.100 -0.635 0.000 0.825 39 G HN 0.476 nan 8.290 nan 0.000 0.479 40 F N -1.994 117.548 119.950 -0.680 0.000 2.692 40 F HA 0.902 5.456 4.527 0.045 0.000 0.320 40 F C -0.509 175.198 175.800 -0.156 0.000 1.123 40 F CA -1.296 56.463 58.000 -0.402 0.000 0.961 40 F CB 1.615 40.535 39.000 -0.133 0.000 1.383 40 F HN 0.489 nan 8.300 nan 0.000 0.483 41 T N 1.336 116.036 114.554 0.243 0.000 2.881 41 T HA 0.550 4.927 4.350 0.045 0.000 0.290 41 T C -1.094 173.799 174.700 0.322 0.000 1.000 41 T CA -0.636 61.612 62.100 0.247 0.000 0.978 41 T CB 1.813 70.861 68.868 0.300 0.000 0.997 41 T HN 0.599 nan 8.240 nan 0.000 0.443 42 V N 3.890 123.962 119.914 0.264 0.000 2.432 42 V HA 0.236 4.383 4.120 0.045 0.000 0.271 42 V C 0.949 177.216 176.094 0.289 0.000 1.046 42 V CA -0.371 62.112 62.300 0.305 0.000 0.945 42 V CB 1.028 33.012 31.823 0.269 0.000 0.992 42 V HN 1.021 nan 8.190 nan 0.000 0.471 43 T N 4.034 118.769 114.554 0.302 0.000 2.906 43 T HA 0.009 4.386 4.350 0.045 0.000 0.320 43 T C 1.636 176.425 174.700 0.148 0.000 1.088 43 T CA 0.549 62.765 62.100 0.194 0.000 1.120 43 T CB 0.735 69.713 68.868 0.184 0.000 1.000 43 T HN 1.005 nan 8.240 nan 0.000 0.550 44 T N 0.377 114.954 114.554 0.037 0.000 2.833 44 T HA -0.127 4.250 4.350 0.045 0.000 0.269 44 T C 1.563 176.249 174.700 -0.024 0.000 1.054 44 T CA 1.112 63.192 62.100 -0.034 0.000 1.135 44 T CB -0.319 68.497 68.868 -0.086 0.000 0.869 44 T HN 0.690 nan 8.240 nan 0.000 0.466 45 E N 1.922 122.145 120.200 0.038 0.000 2.085 45 E HA -0.063 4.314 4.350 0.045 0.000 0.194 45 E C 2.554 179.311 176.600 0.262 0.000 0.994 45 E CA 1.113 57.572 56.400 0.099 0.000 0.801 45 E CB -0.412 29.302 29.700 0.022 0.000 0.743 45 E HN 0.678 nan 8.360 nan 0.000 0.453 46 A N 0.563 123.608 122.820 0.374 0.000 2.125 46 A HA -0.171 4.176 4.320 0.045 0.000 0.219 46 A C 2.244 179.692 177.584 -0.226 0.000 1.156 46 A CA 1.027 53.297 52.037 0.389 0.000 0.671 46 A CB -0.782 18.513 19.000 0.492 0.000 0.794 46 A HN 0.468 nan 8.150 nan 0.000 0.459 47 C N -1.346 117.663 119.300 -0.485 0.000 2.492 47 C HA -0.007 4.480 4.460 0.045 0.000 0.279 47 C C 2.893 177.765 174.990 -0.197 0.000 1.335 47 C CA 1.773 60.205 59.018 -0.976 0.000 1.734 47 C CB -1.238 26.099 27.740 -0.672 0.000 2.027 47 C HN 0.604 nan 8.230 nan 0.000 0.496 48 T N 0.391 114.937 114.554 -0.014 0.000 2.701 48 T HA -0.136 4.241 4.350 0.045 0.000 0.263 48 T C 1.795 176.574 174.700 0.131 0.000 1.040 48 T CA 1.582 63.755 62.100 0.123 0.000 1.147 48 T CB -0.410 68.534 68.868 0.128 0.000 0.865 48 T HN 0.505 nan 8.240 nan 0.000 0.426 49 E N 0.911 121.194 120.200 0.139 0.000 2.035 49 E HA -0.179 4.198 4.350 0.045 0.000 0.204 49 E C 1.938 178.538 176.600 0.000 0.000 1.025 49 E CA 1.578 58.026 56.400 0.079 0.000 0.835 49 E CB -0.747 28.914 29.700 -0.065 0.000 0.764 49 E HN 0.676 nan 8.360 nan 0.000 0.457 50 Y N -0.233 119.960 120.300 -0.179 0.000 2.181 50 Y HA -0.314 4.263 4.550 0.045 0.000 0.284 50 Y C 2.169 177.972 175.900 -0.162 0.000 1.179 50 Y CA 2.054 60.041 58.100 -0.188 0.000 1.179 50 Y CB -0.554 37.766 38.460 -0.233 0.000 0.973 50 Y HN 0.112 nan 8.280 nan 0.000 0.519 51 Y N 0.503 120.712 120.300 -0.151 0.000 2.243 51 Y HA -0.005 4.573 4.550 0.046 0.000 0.293 51 Y C 1.245 177.061 175.900 -0.141 0.000 1.124 51 Y CA 1.339 59.320 58.100 -0.198 0.000 1.159 51 Y CB -0.321 38.146 38.460 0.012 0.000 1.008 51 Y HN 0.101 nan 8.280 nan 0.000 0.527 52 N N 0.057 118.818 118.700 0.102 0.000 3.091 52 N HA 0.066 4.833 4.740 0.045 0.000 0.301 52 N C -0.316 175.196 175.510 0.002 0.000 1.325 52 N CA 0.328 53.414 53.050 0.059 0.000 1.143 52 N CB 0.308 38.841 38.487 0.076 0.000 1.450 52 N HN 0.005 nan 8.380 nan 0.000 0.542 53 S N -1.306 114.356 115.700 -0.062 0.000 2.968 53 S HA 0.219 4.716 4.470 0.045 0.000 0.243 53 S C 0.868 175.388 174.600 -0.133 0.000 0.799 53 S CA -0.079 58.069 58.200 -0.086 0.000 1.101 53 S CB 0.325 63.469 63.200 -0.094 0.000 1.313 53 S HN 0.503 nan 8.310 nan 0.000 0.521 54 G N 2.827 111.553 108.800 -0.122 0.000 2.198 54 G HA2 -0.318 3.669 3.960 0.045 0.000 0.260 54 G HA3 -0.318 3.669 3.960 0.045 0.000 0.260 54 G C 0.103 174.854 174.900 -0.248 0.000 1.025 54 G CA 0.510 45.534 45.100 -0.126 0.000 0.769 54 G HN 0.525 nan 8.290 nan 0.000 0.507 55 K N -1.642 118.443 120.400 -0.525 0.000 3.162 55 K HA -0.195 4.152 4.320 0.045 0.000 0.268 55 K C 0.302 176.499 176.600 -0.672 0.000 1.062 55 K CA 1.555 57.179 56.287 -1.104 0.000 0.769 55 K CB -1.099 31.011 32.500 -0.651 0.000 1.274 55 K HN 0.835 nan 8.250 nan 0.000 0.478 56 Q N 0.269 119.824 119.800 -0.407 0.000 2.375 56 Q HA 0.506 4.873 4.340 0.045 0.000 0.271 56 Q C -0.177 175.943 176.000 0.200 0.000 1.074 56 Q CA -0.950 54.852 55.803 -0.001 0.000 0.808 56 Q CB 1.967 30.684 28.738 -0.035 0.000 1.327 56 Q HN 0.199 nan 8.270 nan 0.000 0.441 57 I N 1.974 122.702 120.570 0.263 0.000 2.436 57 I HA 0.042 4.239 4.170 0.045 0.000 0.289 57 I C 0.907 177.030 176.117 0.010 0.000 1.083 57 I CA -0.015 61.390 61.300 0.175 0.000 1.372 57 I CB 0.796 38.840 38.000 0.073 0.000 1.408 57 I HN 0.608 nan 8.210 nan 0.000 0.516 58 T N 5.414 119.921 114.554 -0.079 0.000 2.856 58 T HA -0.064 4.313 4.350 0.045 0.000 0.329 58 T C 1.400 176.015 174.700 -0.142 0.000 1.094 58 T CA -0.300 61.712 62.100 -0.147 0.000 1.112 58 T CB 0.731 69.430 68.868 -0.281 0.000 1.009 58 T HN 0.729 nan 8.240 nan 0.000 0.550 59 Q N 2.982 122.721 119.800 -0.100 0.000 1.993 59 Q HA -0.176 4.191 4.340 0.045 0.000 0.202 59 Q C 2.016 177.963 176.000 -0.089 0.000 0.984 59 Q CA 2.007 57.773 55.803 -0.062 0.000 0.837 59 Q CB -0.941 27.782 28.738 -0.025 0.000 0.902 59 Q HN 0.953 nan 8.270 nan 0.000 0.423 60 E N 0.581 120.713 120.200 -0.113 0.000 2.219 60 E HA -0.168 4.209 4.350 0.045 0.000 0.198 60 E C 2.107 178.593 176.600 -0.191 0.000 0.998 60 E CA 1.010 57.354 56.400 -0.093 0.000 0.818 60 E CB -0.061 29.623 29.700 -0.026 0.000 0.741 60 E HN 0.476 nan 8.360 nan 0.000 0.477 61 I N 0.290 120.635 120.570 -0.375 0.000 2.141 61 I HA -0.283 3.914 4.170 0.045 0.000 0.236 61 I C 2.798 178.801 176.117 -0.190 0.000 1.071 61 I CA 1.218 62.294 61.300 -0.373 0.000 1.345 61 I CB -0.430 37.319 38.000 -0.418 0.000 1.066 61 I HN 0.254 nan 8.210 nan 0.000 0.406 62 Q N 0.986 120.675 119.800 -0.185 0.000 2.012 62 Q HA -0.327 4.040 4.340 0.045 0.000 0.211 62 Q C 1.841 177.738 176.000 -0.171 0.000 1.009 62 Q CA 2.623 58.279 55.803 -0.245 0.000 0.866 62 Q CB -0.192 28.470 28.738 -0.127 0.000 0.945 62 Q HN 0.442 nan 8.270 nan 0.000 0.414 63 D N -0.141 120.261 120.400 0.003 0.000 2.191 63 D HA -0.259 4.408 4.640 0.045 0.000 0.190 63 D C 1.864 178.177 176.300 0.022 0.000 1.007 63 D CA 1.741 55.790 54.000 0.082 0.000 0.865 63 D CB -0.289 40.543 40.800 0.053 0.000 0.929 63 D HN 0.420 nan 8.370 nan 0.000 0.447 64 Q N -0.219 119.563 119.800 -0.030 0.000 2.224 64 Q HA -0.046 4.321 4.340 0.045 0.000 0.203 64 Q C 2.333 178.242 176.000 -0.152 0.000 0.970 64 Q CA 0.526 56.297 55.803 -0.053 0.000 0.865 64 Q CB 0.107 28.867 28.738 0.036 0.000 0.922 64 Q HN 0.355 nan 8.270 nan 0.000 0.445 65 I N -0.898 119.555 120.570 -0.195 0.000 2.235 65 I HA -0.179 4.018 4.170 0.045 0.000 0.241 65 I C 0.982 176.924 176.117 -0.291 0.000 1.085 65 I CA 0.562 61.681 61.300 -0.301 0.000 1.378 65 I CB -0.038 37.746 38.000 -0.360 0.000 1.076 65 I HN 0.170 nan 8.210 nan 0.000 0.415 66 F N 1.052 120.908 119.950 -0.156 0.000 2.722 66 F HA -0.091 4.463 4.527 0.046 0.000 0.298 66 F C 2.241 177.954 175.800 -0.145 0.000 1.175 66 F CA 0.807 58.722 58.000 -0.141 0.000 1.462 66 F CB -0.751 38.207 39.000 -0.070 0.000 1.111 66 F HN 0.192 nan 8.300 nan 0.000 0.592 67 E N -0.524 119.665 120.200 -0.017 0.000 2.206 67 E HA 0.104 4.481 4.350 0.045 0.000 0.195 67 E C 2.346 178.876 176.600 -0.116 0.000 0.935 67 E CA 0.610 56.980 56.400 -0.050 0.000 0.875 67 E CB 0.077 29.738 29.700 -0.064 0.000 0.841 67 E HN 0.155 nan 8.360 nan 0.000 0.477 68 A N 1.439 124.064 122.820 -0.325 0.000 1.969 68 A HA -0.105 4.242 4.320 0.045 0.000 0.218 68 A C 2.015 179.478 177.584 -0.200 0.000 1.169 68 A CA 0.709 52.492 52.037 -0.424 0.000 0.635 68 A CB -0.369 17.877 19.000 -1.257 0.000 0.810 68 A HN 0.270 nan 8.150 nan 0.000 0.445 69 I N 0.145 120.535 120.570 -0.300 0.000 2.361 69 I HA -0.168 4.029 4.170 0.045 0.000 0.251 69 I C 2.431 178.532 176.117 -0.027 0.000 1.133 69 I CA 1.796 63.022 61.300 -0.124 0.000 1.413 69 I CB -1.677 36.204 38.000 -0.199 0.000 1.073 69 I HN 0.247 nan 8.210 nan 0.000 0.424 70 T N -0.077 114.479 114.554 0.003 0.000 2.674 70 T HA -0.241 4.136 4.350 0.045 0.000 0.265 70 T C 1.521 176.266 174.700 0.076 0.000 1.039 70 T CA 1.688 63.810 62.100 0.037 0.000 1.150 70 T CB -0.463 68.428 68.868 0.038 0.000 0.864 70 T HN 0.555 nan 8.240 nan 0.000 0.427 71 W N 1.794 123.042 121.300 -0.087 0.000 2.304 71 W HA -0.166 4.521 4.660 0.045 0.000 0.315 71 W C 1.724 178.229 176.519 -0.024 0.000 1.233 71 W CA 1.008 58.316 57.345 -0.062 0.000 1.261 71 W CB -0.852 28.551 29.460 -0.095 0.000 1.150 71 W HN 0.202 nan 8.180 nan 0.000 0.494 72 L N 0.544 121.595 121.223 -0.287 0.000 2.046 72 L HA -0.227 4.140 4.340 0.045 0.000 0.208 72 L C 2.637 179.349 176.870 -0.264 0.000 1.077 72 L CA 2.113 56.662 54.840 -0.484 0.000 0.747 72 L CB -0.778 41.158 42.059 -0.204 0.000 0.896 72 L HN 0.066 nan 8.230 nan 0.000 0.432 73 E N -0.070 120.065 120.200 -0.109 0.000 2.013 73 E HA -0.308 4.069 4.350 0.045 0.000 0.202 73 E C 2.017 178.569 176.600 -0.080 0.000 1.018 73 E CA 1.725 58.096 56.400 -0.049 0.000 0.834 73 E CB -0.201 29.501 29.700 0.003 0.000 0.770 73 E HN 0.418 nan 8.360 nan 0.000 0.459 74 E N 0.379 120.537 120.200 -0.071 0.000 2.333 74 E HA -0.198 4.179 4.350 0.045 0.000 0.200 74 E C 1.918 178.452 176.600 -0.110 0.000 1.010 74 E CA 0.404 56.769 56.400 -0.059 0.000 0.841 74 E CB -0.027 29.664 29.700 -0.016 0.000 0.757 74 E HN 0.157 nan 8.360 nan 0.000 0.508 75 L N 1.006 122.091 121.223 -0.230 0.000 2.131 75 L HA -0.084 4.283 4.340 0.045 0.000 0.206 75 L C 0.790 177.559 176.870 -0.169 0.000 1.087 75 L CA 1.093 55.757 54.840 -0.292 0.000 0.767 75 L CB 0.214 41.892 42.059 -0.634 0.000 0.917 75 L HN 0.166 nan 8.230 nan 0.000 0.441 76 N N -1.409 117.213 118.700 -0.131 0.000 2.451 76 N HA 0.138 4.905 4.740 0.045 0.000 0.271 76 N C 0.761 176.252 175.510 -0.031 0.000 1.410 76 N CA 0.398 53.409 53.050 -0.065 0.000 0.884 76 N CB 0.372 38.826 38.487 -0.055 0.000 1.332 76 N HN 0.175 nan 8.380 nan 0.000 0.498 77 G N 1.620 110.400 108.800 -0.034 0.000 2.421 77 G HA2 -0.295 3.692 3.960 0.045 0.000 0.300 77 G HA3 -0.295 3.692 3.960 0.045 0.000 0.300 77 G C -0.484 174.414 174.900 -0.003 0.000 0.974 77 G CA 0.566 45.657 45.100 -0.015 0.000 1.062 77 G HN 0.444 nan 8.290 nan 0.000 0.514 78 K N -0.623 119.777 120.400 -0.001 0.000 2.527 78 K HA 0.463 4.810 4.320 0.045 0.000 0.260 78 K C -0.177 176.437 176.600 0.024 0.000 0.937 78 K CA -0.816 55.480 56.287 0.014 0.000 0.826 78 K CB 1.688 34.206 32.500 0.030 0.000 1.359 78 K HN 0.234 nan 8.250 nan 0.000 0.434 79 K N 0.674 121.090 120.400 0.026 0.000 2.098 79 K HA 0.348 4.696 4.320 0.045 0.000 0.258 79 K C -0.262 176.393 176.600 0.092 0.000 0.973 79 K CA -0.877 55.442 56.287 0.053 0.000 0.898 79 K CB 0.760 33.276 32.500 0.027 0.000 1.057 79 K HN 0.382 nan 8.250 nan 0.000 0.447 80 F N 2.059 121.990 119.950 -0.032 0.000 2.539 80 F HA 0.014 4.568 4.527 0.045 0.000 0.393 80 F C 1.199 176.963 175.800 -0.060 0.000 1.032 80 F CA 0.828 58.810 58.000 -0.030 0.000 1.120 80 F CB -0.680 38.325 39.000 0.008 0.000 1.014 80 F HN 0.875 nan 8.300 nan 0.000 0.546 81 G N 4.524 113.039 108.800 -0.475 0.000 2.356 81 G HA2 -0.370 3.617 3.960 0.045 0.000 0.296 81 G HA3 -0.370 3.617 3.960 0.045 0.000 0.296 81 G C 0.274 174.995 174.900 -0.299 0.000 1.022 81 G CA 0.476 45.267 45.100 -0.515 0.000 0.961 81 G HN 0.937 nan 8.290 nan 0.000 0.510 82 D N -1.397 118.896 120.400 -0.178 0.000 2.232 82 D HA 0.301 4.968 4.640 0.045 0.000 0.242 82 D C 1.758 177.978 176.300 -0.133 0.000 1.330 82 D CA 1.014 54.944 54.000 -0.116 0.000 0.954 82 D CB 0.328 41.090 40.800 -0.064 0.000 1.202 82 D HN 0.062 nan 8.370 nan 0.000 0.530 83 T N -1.631 112.865 114.554 -0.096 0.000 3.039 83 T HA 0.054 4.431 4.350 0.045 0.000 0.250 83 T C 1.207 175.859 174.700 -0.080 0.000 1.052 83 T CA 0.533 62.575 62.100 -0.097 0.000 1.125 83 T CB -0.026 68.797 68.868 -0.074 0.000 0.908 83 T HN 0.238 nan 8.240 nan 0.000 0.473 84 E N 0.854 121.019 120.200 -0.057 0.000 2.110 84 E HA 0.156 4.533 4.350 0.045 0.000 0.194 84 E C 0.141 176.728 176.600 -0.021 0.000 0.944 84 E CA 0.469 56.845 56.400 -0.040 0.000 0.899 84 E CB -0.085 29.596 29.700 -0.030 0.000 0.907 84 E HN 0.244 nan 8.360 nan 0.000 0.473 85 D N 2.046 122.438 120.400 -0.013 0.000 2.505 85 D HA 0.187 4.854 4.640 0.045 0.000 0.242 85 D C -2.458 173.848 176.300 0.010 0.000 1.136 85 D CA -2.083 51.928 54.000 0.017 0.000 0.954 85 D CB 0.902 41.709 40.800 0.013 0.000 1.002 85 D HN -0.033 nan 8.370 nan 0.000 0.512 86 P HA 0.103 nan 4.420 nan 0.000 0.276 86 P C -0.355 176.911 177.300 -0.056 0.000 1.230 86 P CA -0.726 62.317 63.100 -0.095 0.000 0.776 86 P CB 1.400 32.963 31.700 -0.227 0.000 0.888 87 L N 4.966 126.153 121.223 -0.060 0.000 2.257 87 L HA 0.358 4.726 4.340 0.045 0.000 0.290 87 L C -0.764 176.079 176.870 -0.044 0.000 1.044 87 L CA -0.406 54.445 54.840 0.018 0.000 0.810 87 L CB -0.049 42.070 42.059 0.100 0.000 1.193 87 L HN 0.241 nan 8.230 nan 0.000 0.425 88 L N 5.921 127.112 121.223 -0.054 0.000 2.344 88 L HA 0.856 5.223 4.340 0.045 0.000 0.272 88 L C -0.206 176.666 176.870 0.002 0.000 1.035 88 L CA -0.968 53.796 54.840 -0.127 0.000 0.807 88 L CB 1.775 43.707 42.059 -0.211 0.000 1.237 88 L HN 0.552 nan 8.230 nan 0.000 0.442 89 V N -1.741 118.186 119.914 0.022 0.000 3.160 89 V HA 0.844 4.992 4.120 0.045 0.000 0.310 89 V C -0.446 175.650 176.094 0.004 0.000 1.181 89 V CA -0.695 61.630 62.300 0.041 0.000 1.047 89 V CB 1.871 33.785 31.823 0.152 0.000 1.068 89 V HN 0.816 nan 8.190 nan 0.000 0.441 90 S N 0.223 115.915 115.700 -0.014 0.000 2.532 90 S HA 0.913 5.410 4.470 0.045 0.000 0.301 90 S C -0.768 173.837 174.600 0.008 0.000 1.083 90 S CA -0.693 57.511 58.200 0.008 0.000 1.025 90 S CB 1.597 64.783 63.200 -0.023 0.000 1.056 90 S HN 1.333 nan 8.310 nan 0.000 0.494 91 V N 2.481 122.419 119.914 0.041 0.000 2.555 91 V HA 0.788 4.936 4.120 0.045 0.000 0.302 91 V C -0.411 175.688 176.094 0.008 0.000 1.038 91 V CA -0.896 61.408 62.300 0.008 0.000 0.887 91 V CB 1.351 33.191 31.823 0.029 0.000 0.991 91 V HN 1.092 nan 8.190 nan 0.000 0.434 92 R N 1.582 122.076 120.500 -0.011 0.000 2.572 92 R HA 0.507 4.874 4.340 0.045 0.000 0.273 92 R C -0.659 175.644 176.300 0.004 0.000 1.168 92 R CA -0.519 55.585 56.100 0.006 0.000 1.021 92 R CB 1.256 31.569 30.300 0.020 0.000 1.249 92 R HN 0.681 nan 8.270 nan 0.000 0.423 93 S N 0.908 116.615 115.700 0.012 0.000 2.585 93 S HA 0.655 5.152 4.470 0.045 0.000 0.273 93 S C 0.466 175.092 174.600 0.044 0.000 1.339 93 S CA -0.028 58.189 58.200 0.028 0.000 1.028 93 S CB 1.473 64.707 63.200 0.058 0.000 0.906 93 S HN 0.897 nan 8.310 nan 0.000 0.528 94 G N 0.064 108.885 108.800 0.034 0.000 2.417 94 G HA2 0.622 4.609 3.960 0.045 0.000 0.282 94 G HA3 0.622 4.609 3.960 0.045 0.000 0.282 94 G C -0.494 174.404 174.900 -0.002 0.000 1.388 94 G CA -0.357 44.763 45.100 0.032 0.000 1.276 94 G HN 1.032 nan 8.290 nan 0.000 0.602 95 A N 2.391 125.227 122.820 0.026 0.000 2.257 95 A HA 0.689 5.036 4.320 0.045 0.000 0.289 95 A C 1.475 179.083 177.584 0.041 0.000 1.095 95 A CA -0.611 51.418 52.037 -0.012 0.000 0.836 95 A CB 0.676 19.760 19.000 0.140 0.000 1.111 95 A HN 0.731 nan 8.150 nan 0.000 0.497 96 R N -0.507 119.996 120.500 0.005 0.000 2.285 96 R HA 0.016 4.383 4.340 0.045 0.000 0.213 96 R C 0.281 176.589 176.300 0.013 0.000 1.068 96 R CA 1.115 57.146 56.100 -0.114 0.000 1.004 96 R CB -0.232 29.796 30.300 -0.455 0.000 0.873 96 R HN 0.713 nan 8.270 nan 0.000 0.467 97 A N 0.600 123.559 122.820 0.232 0.000 2.310 97 A HA 0.259 4.606 4.320 0.045 0.000 0.304 97 A C -0.481 177.259 177.584 0.260 0.000 1.231 97 A CA -0.455 51.764 52.037 0.304 0.000 0.799 97 A CB 1.377 20.692 19.000 0.524 0.000 1.162 97 A HN 0.178 nan 8.150 nan 0.000 0.486 98 S N 2.331 118.136 115.700 0.176 0.000 2.575 98 S HA 0.181 4.678 4.470 0.045 0.000 0.295 98 S C 0.465 175.199 174.600 0.223 0.000 1.267 98 S CA 0.455 58.749 58.200 0.157 0.000 1.074 98 S CB -0.342 62.920 63.200 0.104 0.000 0.829 98 S HN 0.581 nan 8.310 nan 0.000 0.497 99 M N 6.429 126.151 119.600 0.204 0.000 3.080 99 M HA 0.262 4.769 4.480 0.045 0.000 0.288 99 M C -2.512 173.816 176.300 0.046 0.000 1.224 99 M CA -1.774 53.649 55.300 0.204 0.000 0.787 99 M CB 1.175 33.864 32.600 0.149 0.000 1.368 99 M HN 0.354 nan 8.290 nan 0.000 0.511 100 P HA -0.052 nan 4.420 nan 0.000 0.253 100 P C 0.918 178.206 177.300 -0.020 0.000 1.159 100 P CA 1.655 64.790 63.100 0.059 0.000 0.779 100 P CB 0.221 31.984 31.700 0.105 0.000 0.745 101 G N 2.854 111.634 108.800 -0.033 0.000 2.218 101 G HA2 -0.262 3.725 3.960 0.045 0.000 0.216 101 G HA3 -0.262 3.725 3.960 0.045 0.000 0.216 101 G C 0.789 175.707 174.900 0.029 0.000 0.994 101 G CA 0.064 45.111 45.100 -0.089 0.000 0.637 101 G HN 0.361 nan 8.290 nan 0.000 0.505 102 M N 0.180 119.720 119.600 -0.101 0.000 2.751 102 M HA 0.471 4.979 4.480 0.045 0.000 0.252 102 M C 1.839 178.126 176.300 -0.021 0.000 1.264 102 M CA 0.692 55.910 55.300 -0.137 0.000 1.237 102 M CB -1.091 31.213 32.600 -0.492 0.000 1.242 102 M HN 0.194 nan 8.290 nan 0.000 0.525 103 M N 1.454 121.063 119.600 0.015 0.000 2.092 103 M HA -0.086 4.421 4.480 0.045 0.000 0.247 103 M C -0.058 176.277 176.300 0.058 0.000 1.162 103 M CA 1.041 56.384 55.300 0.071 0.000 1.019 103 M CB -0.541 32.107 32.600 0.080 0.000 1.268 103 M HN 0.145 nan 8.290 nan 0.000 0.379 104 D N -0.330 120.105 120.400 0.058 0.000 2.433 104 D HA 0.543 5.210 4.640 0.045 0.000 0.236 104 D C -0.572 175.747 176.300 0.031 0.000 1.026 104 D CA -0.125 53.897 54.000 0.038 0.000 0.884 104 D CB 2.289 43.104 40.800 0.025 0.000 1.384 104 D HN 0.629 nan 8.370 nan 0.000 0.477 105 T N -0.740 113.833 114.554 0.032 0.000 2.921 105 T HA 0.658 5.035 4.350 0.045 0.000 0.297 105 T C -0.962 173.773 174.700 0.058 0.000 1.013 105 T CA -0.701 61.423 62.100 0.039 0.000 0.990 105 T CB 0.575 69.467 68.868 0.040 0.000 1.023 105 T HN 0.271 nan 8.240 nan 0.000 0.447 106 I N 4.602 125.219 120.570 0.078 0.000 2.418 106 I HA 0.447 4.645 4.170 0.045 0.000 0.287 106 I C -0.566 175.650 176.117 0.166 0.000 1.008 106 I CA -1.038 60.352 61.300 0.150 0.000 1.104 106 I CB 1.884 40.004 38.000 0.198 0.000 1.264 106 I HN 0.508 nan 8.210 nan 0.000 0.438 107 L N 6.024 127.372 121.223 0.208 0.000 2.334 107 L HA 0.530 4.897 4.340 0.045 0.000 0.272 107 L C 0.541 177.531 176.870 0.200 0.000 1.020 107 L CA -0.731 54.198 54.840 0.148 0.000 0.812 107 L CB 1.009 43.137 42.059 0.115 0.000 1.264 107 L HN 0.655 nan 8.230 nan 0.000 0.439 108 N N 0.579 119.284 118.700 0.008 0.000 2.741 108 N HA -0.218 4.549 4.740 0.045 0.000 0.251 108 N C -0.332 174.772 175.510 -0.677 0.000 1.112 108 N CA 0.675 53.624 53.050 -0.168 0.000 0.750 108 N CB -1.264 37.207 38.487 -0.026 0.000 1.119 108 N HN 0.531 nan 8.380 nan 0.000 0.561 109 L N 0.055 121.008 121.223 -0.450 0.000 2.462 109 L HA 0.380 4.747 4.340 0.045 0.000 0.272 109 L C 1.334 177.893 176.870 -0.519 0.000 1.166 109 L CA 1.278 55.745 54.840 -0.622 0.000 0.880 109 L CB 0.118 42.279 42.059 0.170 0.000 1.142 109 L HN 0.410 nan 8.230 nan 0.000 0.473 110 G N 3.915 112.280 108.800 -0.725 0.000 2.485 110 G HA2 -0.143 3.844 3.960 0.045 0.000 0.181 110 G HA3 -0.143 3.844 3.960 0.045 0.000 0.181 110 G C -0.118 174.390 174.900 -0.654 0.000 0.999 110 G CA -0.351 44.287 45.100 -0.769 0.000 0.721 110 G HN 0.488 nan 8.290 nan 0.000 0.486 111 L N 1.250 122.041 121.223 -0.720 0.000 2.439 111 L HA 0.623 4.990 4.340 0.045 0.000 0.261 111 L C 0.565 177.245 176.870 -0.316 0.000 1.153 111 L CA 0.023 54.507 54.840 -0.594 0.000 0.808 111 L CB 1.329 43.038 42.059 -0.584 0.000 1.126 111 L HN 0.692 nan 8.230 nan 0.000 0.460 112 N N -2.034 116.330 118.700 -0.559 0.000 3.261 112 N HA 0.093 4.860 4.740 0.045 0.000 0.248 112 N C -0.325 174.843 175.510 -0.570 0.000 1.498 112 N CA -0.718 52.145 53.050 -0.313 0.000 0.884 112 N CB 0.378 38.799 38.487 -0.109 0.000 1.428 112 N HN 0.278 nan 8.380 nan 0.000 0.517 113 D N -0.516 119.805 120.400 -0.132 0.000 2.149 113 D HA -0.134 4.533 4.640 0.045 0.000 0.194 113 D C 1.475 177.698 176.300 -0.128 0.000 1.001 113 D CA 1.628 55.601 54.000 -0.045 0.000 0.849 113 D CB 0.011 40.851 40.800 0.067 0.000 0.939 113 D HN 0.338 nan 8.370 nan 0.000 0.449 114 V N 0.871 120.694 119.914 -0.153 0.000 2.492 114 V HA 0.014 4.161 4.120 0.045 0.000 0.241 114 V C 2.459 178.433 176.094 -0.201 0.000 1.041 114 V CA 1.158 63.377 62.300 -0.136 0.000 1.057 114 V CB -0.613 31.153 31.823 -0.094 0.000 0.711 114 V HN 0.120 nan 8.190 nan 0.000 0.468 115 A N 0.091 122.754 122.820 -0.261 0.000 2.076 115 A HA -0.181 4.166 4.320 0.045 0.000 0.220 115 A C 2.428 179.811 177.584 -0.335 0.000 1.160 115 A CA 1.961 53.830 52.037 -0.281 0.000 0.653 115 A CB -0.701 18.101 19.000 -0.329 0.000 0.801 115 A HN 0.379 nan 8.150 nan 0.000 0.455 116 V N -0.146 119.471 119.914 -0.495 0.000 2.295 116 V HA -0.206 3.942 4.120 0.045 0.000 0.246 116 V C 2.271 178.131 176.094 -0.390 0.000 1.049 116 V CA 2.668 64.619 62.300 -0.581 0.000 1.024 116 V CB -0.513 30.755 31.823 -0.925 0.000 0.648 116 V HN 0.581 nan 8.190 nan 0.000 0.447 117 E N 0.407 120.424 120.200 -0.306 0.000 2.110 117 E HA -0.139 4.238 4.350 0.045 0.000 0.193 117 E C 2.138 178.680 176.600 -0.097 0.000 0.988 117 E CA 1.505 57.815 56.400 -0.149 0.000 0.804 117 E CB -0.770 28.897 29.700 -0.054 0.000 0.745 117 E HN 0.735 nan 8.360 nan 0.000 0.458 118 G N -0.073 108.671 108.800 -0.093 0.000 2.421 118 G HA2 -0.228 3.759 3.960 0.045 0.000 0.217 118 G HA3 -0.228 3.759 3.960 0.045 0.000 0.217 118 G C 1.408 176.299 174.900 -0.014 0.000 1.143 118 G CA 0.142 45.209 45.100 -0.054 0.000 0.784 118 G HN 0.219 nan 8.290 nan 0.000 0.541 119 F N 2.329 122.141 119.950 -0.229 0.000 2.259 119 F HA 0.208 4.763 4.527 0.045 0.000 0.298 119 F C 2.670 178.347 175.800 -0.205 0.000 1.088 119 F CA 0.721 58.576 58.000 -0.242 0.000 1.358 119 F CB -0.158 38.625 39.000 -0.361 0.000 1.040 119 F HN 0.214 nan 8.300 nan 0.000 0.505 120 A N 0.347 123.094 122.820 -0.122 0.000 1.858 120 A HA -0.185 4.162 4.320 0.045 0.000 0.216 120 A C 2.272 179.789 177.584 -0.111 0.000 1.190 120 A CA 1.899 53.852 52.037 -0.140 0.000 0.617 120 A CB -0.598 18.345 19.000 -0.095 0.000 0.827 120 A HN 0.404 nan 8.150 nan 0.000 0.443 121 K N -0.401 119.951 120.400 -0.081 0.000 1.967 121 K HA -0.121 4.226 4.320 0.045 0.000 0.212 121 K C 2.303 178.852 176.600 -0.084 0.000 1.044 121 K CA 1.274 57.523 56.287 -0.063 0.000 0.942 121 K CB -0.258 32.216 32.500 -0.043 0.000 0.726 121 K HN 0.255 nan 8.250 nan 0.000 0.440 122 K N 1.106 121.453 120.400 -0.087 0.000 2.034 122 K HA -0.211 4.136 4.320 0.045 0.000 0.214 122 K C 2.184 178.700 176.600 -0.140 0.000 1.051 122 K CA 2.147 58.379 56.287 -0.091 0.000 0.931 122 K CB -0.666 31.794 32.500 -0.067 0.000 0.715 122 K HN 0.124 nan 8.250 nan 0.000 0.446 123 T N -1.252 113.155 114.554 -0.245 0.000 2.777 123 T HA -0.024 4.353 4.350 0.045 0.000 0.266 123 T C 1.100 175.694 174.700 -0.177 0.000 1.040 123 T CA 2.257 64.182 62.100 -0.291 0.000 1.141 123 T CB -0.449 68.086 68.868 -0.555 0.000 0.868 123 T HN 0.638 nan 8.240 nan 0.000 0.444 124 G N 1.197 109.913 108.800 -0.139 0.000 2.141 124 G HA2 -0.207 3.780 3.960 0.045 0.000 0.242 124 G HA3 -0.207 3.780 3.960 0.045 0.000 0.242 124 G C 0.112 174.974 174.900 -0.063 0.000 0.982 124 G CA 0.300 45.349 45.100 -0.085 0.000 0.662 124 G HN 0.654 nan 8.290 nan 0.000 0.527 125 N N 0.384 119.050 118.700 -0.058 0.000 2.752 125 N HA 0.333 5.100 4.740 0.045 0.000 0.260 125 N C -0.764 174.780 175.510 0.057 0.000 1.562 125 N CA -1.316 51.736 53.050 0.003 0.000 0.788 125 N CB 1.442 39.921 38.487 -0.013 0.000 1.192 125 N HN 0.085 nan 8.380 nan 0.000 0.503 126 P HA -0.229 nan 4.420 nan 0.000 0.218 126 P C 1.279 178.688 177.300 0.181 0.000 1.146 126 P CA 0.929 64.086 63.100 0.095 0.000 0.820 126 P CB 0.602 32.372 31.700 0.117 0.000 0.778 127 R N -0.812 119.782 120.500 0.157 0.000 2.062 127 R HA -0.163 4.204 4.340 0.045 0.000 0.231 127 R C 2.333 178.762 176.300 0.215 0.000 1.136 127 R CA 1.249 57.453 56.100 0.174 0.000 0.948 127 R CB -0.999 29.379 30.300 0.130 0.000 0.845 127 R HN 0.022 nan 8.270 nan 0.000 0.430 128 F N 1.652 121.614 119.950 0.020 0.000 2.011 128 F HA -0.199 4.355 4.527 0.045 0.000 0.296 128 F C 2.217 178.048 175.800 0.050 0.000 1.144 128 F CA 1.684 59.683 58.000 -0.001 0.000 1.185 128 F CB -1.153 37.779 39.000 -0.114 0.000 0.961 128 F HN 0.168 nan 8.300 nan 0.000 0.485 129 A N -0.108 122.534 122.820 -0.297 0.000 1.881 129 A HA -0.327 4.020 4.320 0.045 0.000 0.219 129 A C 2.199 179.625 177.584 -0.263 0.000 1.215 129 A CA 2.389 54.257 52.037 -0.282 0.000 0.648 129 A CB -1.923 16.945 19.000 -0.219 0.000 0.832 129 A HN 0.607 nan 8.150 nan 0.000 0.455 130 Y N -0.308 119.996 120.300 0.006 0.000 2.333 130 Y HA -0.144 4.433 4.550 0.045 0.000 0.290 130 Y C 2.290 178.215 175.900 0.041 0.000 1.144 130 Y CA 1.417 59.551 58.100 0.057 0.000 1.228 130 Y CB -0.584 37.896 38.460 0.033 0.000 0.985 130 Y HN 0.579 nan 8.280 nan 0.000 0.542 131 D N -0.885 119.612 120.400 0.162 0.000 2.077 131 D HA -0.143 4.524 4.640 0.045 0.000 0.196 131 D C 2.116 178.487 176.300 0.119 0.000 0.986 131 D CA 1.822 55.907 54.000 0.142 0.000 0.829 131 D CB -0.125 40.785 40.800 0.182 0.000 0.983 131 D HN 0.085 nan 8.370 nan 0.000 0.453 132 S N -0.907 114.814 115.700 0.035 0.000 2.440 132 S HA -0.181 4.316 4.470 0.045 0.000 0.240 132 S C 1.569 176.238 174.600 0.116 0.000 1.014 132 S CA 0.822 59.045 58.200 0.038 0.000 0.980 132 S CB -0.433 62.635 63.200 -0.220 0.000 0.775 132 S HN 0.405 nan 8.310 nan 0.000 0.499 133 Y N 3.189 123.449 120.300 -0.067 0.000 2.262 133 Y HA 0.059 4.636 4.550 0.045 0.000 0.295 133 Y C 2.463 178.404 175.900 0.069 0.000 1.121 133 Y CA 0.959 59.054 58.100 -0.008 0.000 1.144 133 Y CB -0.576 37.825 38.460 -0.098 0.000 1.043 133 Y HN 0.102 nan 8.280 nan 0.000 0.528 134 R N 1.569 122.053 120.500 -0.026 0.000 2.127 134 R HA -0.162 4.205 4.340 0.045 0.000 0.238 134 R C 1.856 178.201 176.300 0.076 0.000 1.134 134 R CA 1.618 57.636 56.100 -0.137 0.000 0.975 134 R CB -0.820 29.362 30.300 -0.196 0.000 0.865 134 R HN 0.376 nan 8.270 nan 0.000 0.447 135 R N -0.200 120.371 120.500 0.118 0.000 2.082 135 R HA -0.107 4.260 4.340 0.045 0.000 0.228 135 R C 2.384 178.736 176.300 0.086 0.000 1.140 135 R CA 1.659 57.837 56.100 0.130 0.000 0.920 135 R CB -0.872 29.528 30.300 0.166 0.000 0.828 135 R HN 0.239 nan 8.270 nan 0.000 0.430 136 F N 2.052 122.021 119.950 0.031 0.000 2.141 136 F HA -0.250 4.304 4.527 0.045 0.000 0.300 136 F C 1.936 177.772 175.800 0.060 0.000 1.079 136 F CA 1.469 59.508 58.000 0.066 0.000 1.264 136 F CB -0.260 38.801 39.000 0.102 0.000 1.011 136 F HN -0.011 nan 8.300 nan 0.000 0.487 137 I N -0.171 120.157 120.570 -0.403 0.000 2.315 137 I HA -0.274 3.924 4.170 0.045 0.000 0.248 137 I C 2.587 178.424 176.117 -0.465 0.000 1.117 137 I CA 1.444 62.364 61.300 -0.634 0.000 1.404 137 I CB -0.683 36.822 38.000 -0.826 0.000 1.071 137 I HN 0.299 nan 8.210 nan 0.000 0.419 138 Q N 0.968 120.429 119.800 -0.564 0.000 2.020 138 Q HA -0.228 4.139 4.340 0.045 0.000 0.202 138 Q C 2.394 178.191 176.000 -0.338 0.000 0.982 138 Q CA 1.773 57.023 55.803 -0.922 0.000 0.838 138 Q CB -0.009 28.272 28.738 -0.761 0.000 0.899 138 Q HN 0.447 nan 8.270 nan 0.000 0.423 139 M N -0.765 118.740 119.600 -0.159 0.000 2.065 139 M HA -0.235 4.272 4.480 0.045 0.000 0.259 139 M C 2.095 178.401 176.300 0.011 0.000 1.069 139 M CA 1.747 57.028 55.300 -0.031 0.000 1.110 139 M CB -0.563 32.057 32.600 0.033 0.000 1.328 139 M HN 0.285 nan 8.290 nan 0.000 0.405 140 Y N 0.651 120.861 120.300 -0.150 0.000 2.241 140 Y HA -0.272 4.305 4.550 0.046 0.000 0.286 140 Y C 2.540 178.514 175.900 0.124 0.000 1.166 140 Y CA 1.906 59.967 58.100 -0.066 0.000 1.203 140 Y CB -0.217 38.111 38.460 -0.219 0.000 0.977 140 Y HN 0.171 nan 8.280 nan 0.000 0.529 141 S N -0.627 115.305 115.700 0.387 0.000 2.402 141 S HA -0.174 4.323 4.470 0.045 0.000 0.229 141 S C 1.485 176.207 174.600 0.203 0.000 1.021 141 S CA 1.542 60.021 58.200 0.463 0.000 0.974 141 S CB -0.298 63.311 63.200 0.681 0.000 0.800 141 S HN 0.668 nan 8.310 nan 0.000 0.484 142 D N 0.381 120.854 120.400 0.122 0.000 2.355 142 D HA 0.026 4.693 4.640 0.045 0.000 0.233 142 D C 1.917 178.203 176.300 -0.024 0.000 0.997 142 D CA 0.671 54.695 54.000 0.041 0.000 0.920 142 D CB -0.290 40.535 40.800 0.041 0.000 1.063 142 D HN 0.043 nan 8.370 nan 0.000 0.465 143 V N 0.633 120.523 119.914 -0.040 0.000 2.217 143 V HA -0.223 3.924 4.120 0.045 0.000 0.248 143 V C 1.767 177.783 176.094 -0.130 0.000 1.050 143 V CA 1.569 63.825 62.300 -0.073 0.000 1.007 143 V CB -0.649 31.127 31.823 -0.078 0.000 0.639 143 V HN 0.188 nan 8.190 nan 0.000 0.452 144 V N 2.542 122.298 119.914 -0.263 0.000 3.070 144 V HA 0.026 4.174 4.120 0.045 0.000 0.359 144 V C 0.791 176.769 176.094 -0.194 0.000 1.438 144 V CA -0.234 61.861 62.300 -0.341 0.000 1.571 144 V CB -1.291 30.038 31.823 -0.824 0.000 1.246 144 V HN 0.647 nan 8.190 nan 0.000 0.463 145 M N 2.688 122.221 119.600 -0.111 0.000 2.311 145 M HA -0.176 4.331 4.480 0.045 0.000 0.542 145 M C 0.819 177.066 176.300 -0.089 0.000 1.414 145 M CA 0.823 56.079 55.300 -0.074 0.000 0.774 145 M CB -0.407 32.159 32.600 -0.056 0.000 1.888 145 M HN 0.428 nan 8.290 nan 0.000 0.541 146 E N 3.823 123.960 120.200 -0.105 0.000 2.467 146 E HA 0.354 4.732 4.350 0.045 0.000 0.213 146 E C -0.108 176.385 176.600 -0.180 0.000 0.823 146 E CA 0.826 57.098 56.400 -0.213 0.000 1.233 146 E CB 0.483 29.882 29.700 -0.502 0.000 1.233 146 E HN 0.633 nan 8.360 nan 0.000 0.585 147 V N -0.746 119.103 119.914 -0.108 0.000 3.225 147 V HA 0.461 4.609 4.120 0.045 0.000 0.293 147 V C -2.961 173.010 176.094 -0.206 0.000 1.405 147 V CA -2.278 59.920 62.300 -0.169 0.000 1.038 147 V CB 2.144 33.864 31.823 -0.173 0.000 1.123 147 V HN -0.192 nan 8.190 nan 0.000 0.447 148 P HA 0.356 nan 4.420 nan 0.000 0.276 148 P C 0.040 177.146 177.300 -0.323 0.000 1.244 148 P CA -0.250 62.623 63.100 -0.378 0.000 0.801 148 P CB 1.511 32.918 31.700 -0.487 0.000 1.006 149 K N 0.681 121.004 120.400 -0.129 0.000 2.097 149 K HA -0.109 4.239 4.320 0.045 0.000 0.206 149 K C 2.218 178.790 176.600 -0.046 0.000 1.049 149 K CA 2.040 58.324 56.287 -0.006 0.000 0.933 149 K CB -0.401 32.106 32.500 0.011 0.000 0.717 149 K HN 0.553 nan 8.250 nan 0.000 0.442 150 S N 0.561 116.204 115.700 -0.095 0.000 2.383 150 S HA -0.224 4.273 4.470 0.045 0.000 0.229 150 S C 1.729 176.337 174.600 0.013 0.000 1.030 150 S CA 1.241 59.425 58.200 -0.026 0.000 1.002 150 S CB -0.566 62.627 63.200 -0.012 0.000 0.829 150 S HN 0.303 nan 8.310 nan 0.000 0.467 151 H N 1.176 120.084 119.070 -0.271 0.000 2.319 151 H HA 0.043 4.626 4.556 0.045 0.000 0.299 151 H C 1.709 176.800 175.328 -0.395 0.000 1.092 151 H CA 1.514 57.321 56.048 -0.403 0.000 1.302 151 H CB -0.818 28.535 29.762 -0.681 0.000 1.373 151 H HN 0.539 nan 8.280 nan 0.000 0.497 152 F N 0.344 120.236 119.950 -0.096 0.000 2.187 152 F HA 0.019 4.573 4.527 0.045 0.000 0.295 152 F C 2.557 178.262 175.800 -0.158 0.000 1.091 152 F CA 0.851 58.618 58.000 -0.388 0.000 1.308 152 F CB -0.490 38.075 39.000 -0.725 0.000 1.030 152 F HN 0.170 nan 8.300 nan 0.000 0.487 153 E N 0.294 120.562 120.200 0.113 0.000 2.274 153 E HA -0.151 4.226 4.350 0.045 0.000 0.194 153 E C 1.980 178.649 176.600 0.115 0.000 0.996 153 E CA 0.572 57.045 56.400 0.123 0.000 0.840 153 E CB 0.028 29.781 29.700 0.089 0.000 0.772 153 E HN 0.295 nan 8.360 nan 0.000 0.491 154 K N 0.034 120.487 120.400 0.087 0.000 2.211 154 K HA -0.065 4.283 4.320 0.045 0.000 0.203 154 K C 1.884 178.542 176.600 0.097 0.000 1.050 154 K CA 0.673 57.002 56.287 0.071 0.000 0.945 154 K CB 0.152 32.676 32.500 0.040 0.000 0.732 154 K HN 0.192 nan 8.250 nan 0.000 0.451 155 I N 0.458 121.123 120.570 0.158 0.000 2.270 155 I HA -0.215 3.982 4.170 0.045 0.000 0.239 155 I C 2.323 178.571 176.117 0.218 0.000 1.080 155 I CA 0.763 62.190 61.300 0.212 0.000 1.383 155 I CB -0.118 38.102 38.000 0.365 0.000 1.097 155 I HN 0.113 nan 8.210 nan 0.000 0.420 156 I N 1.116 121.873 120.570 0.312 0.000 2.264 156 I HA -0.358 3.840 4.170 0.045 0.000 0.248 156 I C 2.117 178.317 176.117 0.138 0.000 1.111 156 I CA 1.875 63.310 61.300 0.225 0.000 1.382 156 I CB -0.117 38.057 38.000 0.290 0.000 1.060 156 I HN 0.315 nan 8.210 nan 0.000 0.418 157 D N 0.743 121.221 120.400 0.129 0.000 2.123 157 D HA -0.136 4.532 4.640 0.045 0.000 0.200 157 D C 2.132 178.470 176.300 0.062 0.000 0.976 157 D CA 1.533 55.584 54.000 0.085 0.000 0.831 157 D CB 0.012 40.856 40.800 0.074 0.000 0.974 157 D HN 0.393 nan 8.370 nan 0.000 0.469 158 A N 0.444 123.303 122.820 0.064 0.000 1.972 158 A HA -0.140 4.207 4.320 0.045 0.000 0.219 158 A C 2.337 179.943 177.584 0.037 0.000 1.169 158 A CA 1.696 53.759 52.037 0.044 0.000 0.635 158 A CB -0.765 18.261 19.000 0.043 0.000 0.810 158 A HN 0.442 nan 8.150 nan 0.000 0.446 159 M N -0.659 118.969 119.600 0.047 0.000 2.099 159 M HA -0.142 4.365 4.480 0.045 0.000 0.262 159 M C 1.934 178.248 176.300 0.023 0.000 1.067 159 M CA 1.926 57.244 55.300 0.030 0.000 1.124 159 M CB -0.177 32.442 32.600 0.031 0.000 1.353 159 M HN 0.328 nan 8.290 nan 0.000 0.410 160 K N -0.009 120.412 120.400 0.035 0.000 2.031 160 K HA -0.104 4.243 4.320 0.045 0.000 0.205 160 K C 1.238 177.853 176.600 0.026 0.000 1.049 160 K CA 1.177 57.482 56.287 0.029 0.000 0.939 160 K CB -0.160 32.365 32.500 0.041 0.000 0.717 160 K HN 0.452 nan 8.250 nan 0.000 0.438 161 E N 0.924 121.142 120.200 0.030 0.000 2.321 161 E HA -0.054 4.324 4.350 0.045 0.000 0.189 161 E C -0.210 176.401 176.600 0.018 0.000 1.125 161 E CA 0.147 56.564 56.400 0.028 0.000 1.005 161 E CB 0.159 29.872 29.700 0.021 0.000 1.140 161 E HN 0.208 nan 8.360 nan 0.000 0.457 162 E N 0.759 120.966 120.200 0.012 0.000 3.957 162 E HA 0.048 4.425 4.350 0.045 0.000 0.172 162 E C -0.298 176.300 176.600 -0.004 0.000 1.032 162 E CA 0.076 56.479 56.400 0.004 0.000 1.491 162 E CB 0.294 29.998 29.700 0.007 0.000 1.151 162 E HN -0.003 nan 8.360 nan 0.000 0.410 163 K N -0.505 119.890 120.400 -0.010 0.000 2.829 163 K HA 0.069 4.416 4.320 0.045 0.000 0.136 163 K C 0.310 176.888 176.600 -0.037 0.000 1.130 163 K CA 0.604 56.879 56.287 -0.020 0.000 1.121 163 K CB -0.076 32.414 32.500 -0.017 0.000 0.891 163 K HN 0.312 nan 8.250 nan 0.000 0.398 164 G N 1.469 110.244 108.800 -0.042 0.000 2.390 164 G HA2 -0.244 3.743 3.960 0.045 0.000 0.299 164 G HA3 -0.244 3.743 3.960 0.045 0.000 0.299 164 G C -0.158 174.649 174.900 -0.155 0.000 1.002 164 G CA 0.838 45.886 45.100 -0.087 0.000 0.979 164 G HN 0.168 nan 8.290 nan 0.000 0.513 165 V N -1.660 118.189 119.914 -0.108 0.000 3.019 165 V HA 0.599 4.746 4.120 0.045 0.000 0.317 165 V C 0.892 176.947 176.094 -0.066 0.000 1.094 165 V CA -0.615 61.612 62.300 -0.122 0.000 1.000 165 V CB 2.018 33.820 31.823 -0.034 0.000 1.060 165 V HN 0.430 nan 8.190 nan 0.000 0.443 166 H N 0.620 119.561 119.070 -0.215 0.000 3.091 166 H HA 0.391 4.975 4.556 0.045 0.000 0.249 166 H C -0.885 173.996 175.328 -0.746 0.000 0.985 166 H CA 0.156 55.893 56.048 -0.518 0.000 1.177 166 H CB 1.068 30.396 29.762 -0.722 0.000 1.456 166 H HN 0.453 nan 8.280 nan 0.000 0.467 167 F N 0.765 120.801 119.950 0.144 0.000 2.578 167 F HA 0.152 4.706 4.527 0.045 0.000 0.311 167 F C 0.361 176.205 175.800 0.073 0.000 1.094 167 F CA -1.444 56.611 58.000 0.092 0.000 0.923 167 F CB 1.582 40.626 39.000 0.074 0.000 1.230 167 F HN -0.067 nan 8.300 nan 0.000 0.450 168 D N -0.694 119.863 120.400 0.261 0.000 2.315 168 D HA -0.167 4.500 4.640 0.045 0.000 0.211 168 D C 1.873 178.269 176.300 0.160 0.000 0.977 168 D CA 1.338 55.442 54.000 0.172 0.000 0.894 168 D CB -0.481 40.414 40.800 0.159 0.000 0.910 168 D HN 0.538 nan 8.370 nan 0.000 0.490 169 T N 0.071 114.741 114.554 0.195 0.000 3.163 169 T HA -0.078 4.299 4.350 0.045 0.000 0.260 169 T C 0.419 175.200 174.700 0.134 0.000 1.156 169 T CA 0.536 62.721 62.100 0.142 0.000 1.072 169 T CB -0.016 68.911 68.868 0.099 0.000 0.937 169 T HN 0.030 nan 8.240 nan 0.000 0.528 170 D N 0.607 121.093 120.400 0.144 0.000 2.535 170 D HA 0.241 4.908 4.640 0.045 0.000 0.229 170 D C -0.120 176.217 176.300 0.062 0.000 1.238 170 D CA -0.122 53.938 54.000 0.099 0.000 0.824 170 D CB 0.552 41.413 40.800 0.102 0.000 1.045 170 D HN 0.410 nan 8.370 nan 0.000 0.500 171 L N 1.414 122.676 121.223 0.065 0.000 2.334 171 L HA 0.264 4.631 4.340 0.045 0.000 0.277 171 L C 1.339 178.230 176.870 0.035 0.000 1.075 171 L CA -0.424 54.440 54.840 0.039 0.000 0.804 171 L CB 1.370 43.452 42.059 0.038 0.000 1.174 171 L HN -0.076 nan 8.230 nan 0.000 0.438 172 T N -0.577 113.986 114.554 0.015 0.000 2.788 172 T HA 0.280 4.657 4.350 0.045 0.000 0.287 172 T C 1.259 175.968 174.700 0.016 0.000 1.007 172 T CA -0.019 62.090 62.100 0.015 0.000 1.005 172 T CB 1.395 70.262 68.868 -0.002 0.000 1.012 172 T HN 0.662 nan 8.240 nan 0.000 0.530 173 A N 0.775 123.612 122.820 0.029 0.000 2.076 173 A HA -0.074 4.273 4.320 0.045 0.000 0.220 173 A C 1.968 179.529 177.584 -0.038 0.000 1.160 173 A CA 1.731 53.798 52.037 0.050 0.000 0.653 173 A CB -0.857 18.189 19.000 0.077 0.000 0.801 173 A HN 0.905 nan 8.150 nan 0.000 0.455 174 D N -0.062 120.301 120.400 -0.061 0.000 2.162 174 D HA -0.068 4.599 4.640 0.045 0.000 0.205 174 D C 1.214 177.436 176.300 -0.129 0.000 0.964 174 D CA 1.148 55.079 54.000 -0.115 0.000 0.847 174 D CB -0.496 40.257 40.800 -0.077 0.000 0.988 174 D HN 0.336 nan 8.370 nan 0.000 0.480 175 D N 0.902 121.254 120.400 -0.081 0.000 2.106 175 D HA -0.123 4.544 4.640 0.045 0.000 0.191 175 D C 2.345 178.573 176.300 -0.119 0.000 0.997 175 D CA 0.703 54.655 54.000 -0.080 0.000 0.834 175 D CB -0.373 40.403 40.800 -0.039 0.000 0.956 175 D HN 0.196 nan 8.370 nan 0.000 0.448 176 L N 0.297 121.461 121.223 -0.098 0.000 1.988 176 L HA -0.132 4.235 4.340 0.045 0.000 0.207 176 L C 2.461 179.197 176.870 -0.223 0.000 1.071 176 L CA 1.097 55.873 54.840 -0.107 0.000 0.744 176 L CB -0.535 41.545 42.059 0.034 0.000 0.893 176 L HN -0.012 nan 8.230 nan 0.000 0.433 177 K N 0.205 120.365 120.400 -0.400 0.000 2.144 177 K HA -0.303 4.044 4.320 0.045 0.000 0.209 177 K C 2.069 178.393 176.600 -0.460 0.000 1.047 177 K CA 2.144 57.900 56.287 -0.884 0.000 0.927 177 K CB 0.034 31.909 32.500 -1.042 0.000 0.716 177 K HN 0.141 nan 8.250 nan 0.000 0.454 178 E N 0.493 120.508 120.200 -0.308 0.000 2.076 178 E HA -0.132 4.245 4.350 0.045 0.000 0.190 178 E C 1.836 178.292 176.600 -0.240 0.000 0.979 178 E CA 0.700 56.967 56.400 -0.221 0.000 0.807 178 E CB -0.265 29.340 29.700 -0.159 0.000 0.761 178 E HN 0.247 nan 8.360 nan 0.000 0.454 179 L N 0.718 121.767 121.223 -0.291 0.000 1.990 179 L HA -0.163 4.204 4.340 0.045 0.000 0.213 179 L C 2.250 178.717 176.870 -0.670 0.000 1.072 179 L CA 2.444 57.008 54.840 -0.461 0.000 0.755 179 L CB -1.213 40.553 42.059 -0.489 0.000 0.889 179 L HN 0.207 nan 8.230 nan 0.000 0.432 180 A N -0.825 121.671 122.820 -0.541 0.000 1.915 180 A HA -0.373 3.974 4.320 0.045 0.000 0.220 180 A C 2.358 179.730 177.584 -0.354 0.000 1.198 180 A CA 2.369 54.100 52.037 -0.509 0.000 0.647 180 A CB -0.987 17.834 19.000 -0.299 0.000 0.825 180 A HN 0.675 nan 8.150 nan 0.000 0.456 181 E N -0.818 119.247 120.200 -0.225 0.000 2.150 181 E HA -0.226 4.151 4.350 0.045 0.000 0.193 181 E C 1.855 178.421 176.600 -0.056 0.000 0.985 181 E CA 1.357 57.688 56.400 -0.114 0.000 0.814 181 E CB -0.055 29.596 29.700 -0.083 0.000 0.752 181 E HN 0.446 nan 8.360 nan 0.000 0.466 182 K N -0.412 119.931 120.400 -0.095 0.000 2.209 182 K HA -0.093 4.254 4.320 0.045 0.000 0.204 182 K C 1.435 178.221 176.600 0.311 0.000 1.048 182 K CA 0.965 57.276 56.287 0.039 0.000 0.940 182 K CB -0.053 32.431 32.500 -0.026 0.000 0.729 182 K HN 0.163 nan 8.250 nan 0.000 0.451 183 F N 0.147 120.117 119.950 0.033 0.000 2.317 183 F HA 0.176 4.730 4.527 0.046 0.000 0.290 183 F C 1.854 177.719 175.800 0.108 0.000 1.075 183 F CA 0.513 58.603 58.000 0.150 0.000 1.380 183 F CB -0.718 38.192 39.000 -0.151 0.000 1.093 183 F HN -0.043 nan 8.300 nan 0.000 0.524 184 K N 0.740 121.190 120.400 0.083 0.000 2.362 184 K HA -0.025 4.322 4.320 0.045 0.000 0.200 184 K C 1.887 178.564 176.600 0.129 0.000 1.046 184 K CA 0.990 57.252 56.287 -0.041 0.000 0.952 184 K CB 0.006 32.396 32.500 -0.182 0.000 0.753 184 K HN 0.125 nan 8.250 nan 0.000 0.466 185 A N 0.145 123.060 122.820 0.157 0.000 1.935 185 A HA 0.016 4.363 4.320 0.045 0.000 0.214 185 A C 2.074 179.767 177.584 0.181 0.000 1.178 185 A CA 0.734 52.857 52.037 0.143 0.000 0.640 185 A CB -0.223 18.837 19.000 0.101 0.000 0.825 185 A HN 0.128 nan 8.150 nan 0.000 0.447 186 V N -1.217 118.846 119.914 0.248 0.000 2.244 186 V HA -0.242 3.905 4.120 0.045 0.000 0.244 186 V C 2.324 178.562 176.094 0.239 0.000 1.042 186 V CA 2.022 64.429 62.300 0.177 0.000 1.006 186 V CB -1.025 30.866 31.823 0.113 0.000 0.641 186 V HN 0.692 nan 8.190 nan 0.000 0.446 187 Y N 1.191 121.659 120.300 0.279 0.000 2.181 187 Y HA -0.330 4.247 4.550 0.046 0.000 0.284 187 Y C 2.522 178.547 175.900 0.209 0.000 1.179 187 Y CA 2.427 60.712 58.100 0.309 0.000 1.179 187 Y CB -0.162 38.564 38.460 0.444 0.000 0.973 187 Y HN 0.184 nan 8.280 nan 0.000 0.519 188 K N 0.263 120.937 120.400 0.456 0.000 2.166 188 K HA -0.093 4.254 4.320 0.045 0.000 0.201 188 K C 1.624 178.317 176.600 0.155 0.000 1.052 188 K CA 1.062 57.537 56.287 0.313 0.000 0.969 188 K CB -0.095 32.566 32.500 0.268 0.000 0.761 188 K HN 0.607 nan 8.250 nan 0.000 0.459 189 E N -0.540 119.731 120.200 0.118 0.000 2.463 189 E HA 0.019 4.396 4.350 0.045 0.000 0.191 189 E C 0.298 176.909 176.600 0.019 0.000 1.083 189 E CA 0.242 56.673 56.400 0.053 0.000 0.872 189 E CB 0.586 30.304 29.700 0.029 0.000 0.966 189 E HN 0.193 nan 8.360 nan 0.000 0.491 190 A N 0.847 123.686 122.820 0.031 0.000 2.605 190 A HA 0.424 4.771 4.320 0.045 0.000 0.292 190 A C -0.068 177.499 177.584 -0.028 0.000 1.055 190 A CA -0.401 51.637 52.037 0.002 0.000 0.969 190 A CB 0.327 19.339 19.000 0.020 0.000 1.236 190 A HN 0.197 nan 8.150 nan 0.000 0.534 191 M N -1.711 117.885 119.600 -0.006 0.000 2.924 191 M HA 0.184 4.691 4.480 0.045 0.000 0.271 191 M C 1.004 177.319 176.300 0.024 0.000 1.280 191 M CA -0.488 54.801 55.300 -0.017 0.000 0.813 191 M CB 1.567 34.138 32.600 -0.047 0.000 1.658 191 M HN 0.277 nan 8.290 nan 0.000 0.467 192 N N 0.635 119.352 118.700 0.028 0.000 2.111 192 N HA -0.156 4.611 4.740 0.045 0.000 0.197 192 N C 0.822 176.363 175.510 0.051 0.000 1.011 192 N CA 2.980 56.052 53.050 0.037 0.000 0.880 192 N CB -0.023 38.489 38.487 0.041 0.000 1.031 192 N HN 0.889 nan 8.380 nan 0.000 0.444 193 G N -1.723 107.123 108.800 0.077 0.000 2.407 193 G HA2 -0.149 3.838 3.960 0.045 0.000 0.210 193 G HA3 -0.149 3.838 3.960 0.045 0.000 0.210 193 G C -0.650 174.320 174.900 0.116 0.000 1.015 193 G CA -0.138 45.017 45.100 0.092 0.000 0.807 193 G HN 0.395 nan 8.290 nan 0.000 0.539 194 E N 0.994 121.275 120.200 0.135 0.000 2.413 194 E HA 0.242 4.619 4.350 0.045 0.000 0.263 194 E C 0.785 177.506 176.600 0.202 0.000 1.015 194 E CA 0.051 56.542 56.400 0.152 0.000 0.916 194 E CB 0.776 30.573 29.700 0.162 0.000 0.947 194 E HN 0.527 nan 8.360 nan 0.000 0.440 195 E N 2.768 123.055 120.200 0.146 0.000 2.408 195 E HA -0.013 4.364 4.350 0.045 0.000 0.259 195 E C -0.984 175.692 176.600 0.126 0.000 1.110 195 E CA -0.269 56.212 56.400 0.136 0.000 0.929 195 E CB 0.346 30.098 29.700 0.087 0.000 0.971 195 E HN 0.325 nan 8.360 nan 0.000 0.438 196 F N 4.468 124.358 119.950 -0.099 0.000 2.410 196 F HA 0.353 4.907 4.527 0.045 0.000 0.348 196 F C -1.894 173.761 175.800 -0.243 0.000 1.106 196 F CA -2.686 55.089 58.000 -0.375 0.000 1.163 196 F CB 0.681 39.350 39.000 -0.552 0.000 1.129 196 F HN 0.388 nan 8.300 nan 0.000 0.516 197 P HA -0.095 nan 4.420 nan 0.000 0.258 197 P C -0.753 176.485 177.300 -0.103 0.000 1.172 197 P CA 0.443 63.282 63.100 -0.435 0.000 0.762 197 P CB 0.827 32.108 31.700 -0.699 0.000 0.764 198 Q N 0.957 120.753 119.800 -0.006 0.000 2.353 198 Q HA 0.076 4.443 4.340 0.045 0.000 0.240 198 Q C 0.213 176.197 176.000 -0.027 0.000 0.868 198 Q CA 0.408 56.234 55.803 0.038 0.000 0.944 198 Q CB 0.466 29.226 28.738 0.037 0.000 1.104 198 Q HN 0.521 nan 8.270 nan 0.000 0.531 199 E N 3.447 123.629 120.200 -0.030 0.000 1.996 199 E HA 0.079 4.457 4.350 0.045 0.000 0.280 199 E C -1.612 174.979 176.600 -0.014 0.000 1.092 199 E CA -2.080 54.301 56.400 -0.031 0.000 0.862 199 E CB 1.135 30.831 29.700 -0.007 0.000 1.066 199 E HN -0.064 nan 8.360 nan 0.000 0.396 200 P HA -0.285 nan 4.420 nan 0.000 0.218 200 P C 0.523 177.999 177.300 0.293 0.000 1.152 200 P CA 1.510 64.532 63.100 -0.131 0.000 0.857 200 P CB 0.352 31.650 31.700 -0.671 0.000 0.787 201 K N -0.885 119.694 120.400 0.298 0.000 2.211 201 K HA -0.108 4.239 4.320 0.045 0.000 0.203 201 K C 1.547 178.405 176.600 0.430 0.000 1.050 201 K CA 1.309 57.869 56.287 0.456 0.000 0.945 201 K CB -0.262 32.245 32.500 0.011 0.000 0.732 201 K HN 0.110 nan 8.250 nan 0.000 0.451 202 D N 0.376 120.915 120.400 0.231 0.000 2.271 202 D HA -0.053 4.614 4.640 0.045 0.000 0.206 202 D C 1.746 178.147 176.300 0.168 0.000 0.967 202 D CA 0.791 54.894 54.000 0.171 0.000 0.867 202 D CB 0.243 41.090 40.800 0.078 0.000 0.960 202 D HN 0.221 nan 8.370 nan 0.000 0.509 203 Q N -0.161 119.736 119.800 0.163 0.000 2.096 203 Q HA -0.021 4.347 4.340 0.045 0.000 0.197 203 Q C 1.974 178.217 176.000 0.405 0.000 0.964 203 Q CA 0.524 56.448 55.803 0.201 0.000 0.838 203 Q CB 0.053 28.885 28.738 0.157 0.000 0.906 203 Q HN 0.175 nan 8.270 nan 0.000 0.444 204 L N -0.093 121.354 121.223 0.374 0.000 2.156 204 L HA -0.065 4.302 4.340 0.045 0.000 0.208 204 L C 2.036 178.983 176.870 0.127 0.000 1.095 204 L CA 1.473 56.499 54.840 0.310 0.000 0.770 204 L CB -0.120 42.175 42.059 0.394 0.000 0.914 204 L HN 0.163 nan 8.230 nan 0.000 0.439 205 M N -0.498 119.175 119.600 0.121 0.000 2.288 205 M HA 0.127 4.634 4.480 0.045 0.000 0.266 205 M C 2.098 178.395 176.300 -0.005 0.000 1.072 205 M CA 1.376 56.668 55.300 -0.012 0.000 1.132 205 M CB -1.387 31.237 32.600 0.039 0.000 1.386 205 M HN 0.274 nan 8.290 nan 0.000 0.432 206 G N -0.657 108.205 108.800 0.103 0.000 2.421 206 G HA2 -0.107 3.880 3.960 0.045 0.000 0.216 206 G HA3 -0.107 3.880 3.960 0.045 0.000 0.216 206 G C 1.583 176.449 174.900 -0.057 0.000 1.171 206 G CA 1.156 46.307 45.100 0.084 0.000 0.775 206 G HN 0.574 nan 8.290 nan 0.000 0.543 207 A N 0.496 123.312 122.820 -0.006 0.000 1.848 207 A HA -0.091 4.256 4.320 0.045 0.000 0.217 207 A C 2.601 180.061 177.584 -0.205 0.000 1.220 207 A CA 2.605 54.583 52.037 -0.098 0.000 0.645 207 A CB -1.177 17.843 19.000 0.033 0.000 0.842 207 A HN 0.435 nan 8.150 nan 0.000 0.451 208 V N 0.520 120.276 119.914 -0.263 0.000 2.252 208 V HA -0.423 3.725 4.120 0.045 0.000 0.255 208 V C 2.512 178.209 176.094 -0.661 0.000 1.071 208 V CA 2.778 64.754 62.300 -0.539 0.000 1.050 208 V CB -0.957 30.541 31.823 -0.540 0.000 0.654 208 V HN 0.609 nan 8.190 nan 0.000 0.448 209 K N -0.140 120.005 120.400 -0.425 0.000 2.103 209 K HA -0.156 4.191 4.320 0.045 0.000 0.207 209 K C 2.332 178.799 176.600 -0.222 0.000 1.048 209 K CA 1.404 57.475 56.287 -0.360 0.000 0.930 209 K CB -0.486 31.926 32.500 -0.148 0.000 0.716 209 K HN 0.525 nan 8.250 nan 0.000 0.444 210 A N 1.454 124.164 122.820 -0.184 0.000 1.849 210 A HA -0.194 4.153 4.320 0.045 0.000 0.217 210 A C 2.440 179.990 177.584 -0.057 0.000 1.202 210 A CA 1.970 53.939 52.037 -0.113 0.000 0.629 210 A CB -1.023 17.879 19.000 -0.163 0.000 0.834 210 A HN 0.065 nan 8.150 nan 0.000 0.447 211 V N -0.696 119.144 119.914 -0.123 0.000 2.214 211 V HA -0.303 3.845 4.120 0.045 0.000 0.247 211 V C 2.384 178.572 176.094 0.157 0.000 1.051 211 V CA 2.453 64.733 62.300 -0.033 0.000 1.003 211 V CB -1.191 30.528 31.823 -0.174 0.000 0.635 211 V HN 0.550 nan 8.190 nan 0.000 0.447 212 F N 0.387 120.273 119.950 -0.107 0.000 2.147 212 F HA -0.200 4.354 4.527 0.045 0.000 0.301 212 F C 2.525 178.436 175.800 0.185 0.000 1.084 212 F CA 1.932 59.877 58.000 -0.092 0.000 1.268 212 F CB -1.055 37.528 39.000 -0.696 0.000 1.009 212 F HN 0.122 nan 8.300 nan 0.000 0.486 213 R N 0.792 121.462 120.500 0.283 0.000 2.055 213 R HA -0.137 4.230 4.340 0.045 0.000 0.228 213 R C 2.535 179.059 176.300 0.375 0.000 1.143 213 R CA 1.762 58.065 56.100 0.339 0.000 0.945 213 R CB -0.462 29.955 30.300 0.196 0.000 0.841 213 R HN 0.285 nan 8.270 nan 0.000 0.429 214 S N 0.110 115.971 115.700 0.269 0.000 2.441 214 S HA -0.216 4.281 4.470 0.045 0.000 0.242 214 S C 1.408 176.190 174.600 0.303 0.000 1.018 214 S CA 1.042 59.380 58.200 0.230 0.000 0.988 214 S CB -0.825 62.477 63.200 0.170 0.000 0.778 214 S HN 0.603 nan 8.310 nan 0.000 0.498 215 W N 2.091 123.535 121.300 0.241 0.000 3.422 215 W HA 0.190 4.878 4.660 0.047 0.000 0.337 215 W C -0.098 176.528 176.519 0.178 0.000 1.234 215 W CA 0.499 57.982 57.345 0.231 0.000 1.686 215 W CB -0.273 29.376 29.460 0.315 0.000 0.964 215 W HN 0.413 nan 8.180 nan 0.000 0.776 216 D N -0.582 119.873 120.400 0.091 0.000 2.601 216 D HA -0.061 4.606 4.640 0.045 0.000 0.350 216 D C -0.022 176.285 176.300 0.012 0.000 1.386 216 D CA -0.062 53.933 54.000 -0.009 0.000 0.929 216 D CB -0.133 40.739 40.800 0.120 0.000 1.456 216 D HN -0.027 nan 8.370 nan 0.000 0.430 217 N N 1.250 119.970 118.700 0.032 0.000 2.530 217 N HA 0.100 4.867 4.740 0.045 0.000 0.277 217 N C -1.571 173.932 175.510 -0.011 0.000 1.168 217 N CA -1.074 51.993 53.050 0.028 0.000 0.979 217 N CB 2.005 40.519 38.487 0.046 0.000 1.141 217 N HN -0.214 nan 8.380 nan 0.000 0.459 218 P HA -0.271 nan 4.420 nan 0.000 0.224 218 P C 0.875 178.165 177.300 -0.016 0.000 1.153 218 P CA 2.007 65.102 63.100 -0.007 0.000 0.947 218 P CB 0.059 31.762 31.700 0.005 0.000 0.790 219 R N -0.194 120.302 120.500 -0.008 0.000 2.096 219 R HA -0.087 4.280 4.340 0.045 0.000 0.240 219 R C 2.589 178.889 176.300 -0.001 0.000 1.139 219 R CA 1.967 58.068 56.100 0.002 0.000 0.952 219 R CB -1.930 28.372 30.300 0.003 0.000 0.854 219 R HN 0.277 nan 8.270 nan 0.000 0.436 220 A N 0.937 123.727 122.820 -0.050 0.000 1.835 220 A HA -0.148 4.199 4.320 0.045 0.000 0.215 220 A C 2.248 179.753 177.584 -0.131 0.000 1.199 220 A CA 1.658 53.625 52.037 -0.118 0.000 0.615 220 A CB -0.823 18.027 19.000 -0.249 0.000 0.838 220 A HN 0.222 nan 8.150 nan 0.000 0.444 221 I N -0.052 120.416 120.570 -0.169 0.000 2.103 221 I HA -0.343 3.854 4.170 0.045 0.000 0.241 221 I C 2.320 178.376 176.117 -0.103 0.000 1.036 221 I CA 2.026 63.236 61.300 -0.149 0.000 1.300 221 I CB -0.473 37.471 38.000 -0.094 0.000 1.010 221 I HN 0.217 nan 8.210 nan 0.000 0.406 222 V N -0.555 119.318 119.914 -0.069 0.000 2.594 222 V HA -0.296 3.851 4.120 0.045 0.000 0.253 222 V C 2.106 178.138 176.094 -0.103 0.000 1.069 222 V CA 1.820 64.063 62.300 -0.095 0.000 1.082 222 V CB -1.004 30.777 31.823 -0.070 0.000 0.680 222 V HN 0.432 nan 8.190 nan 0.000 0.469 223 Y N 1.043 121.253 120.300 -0.150 0.000 2.243 223 Y HA -0.079 4.498 4.550 0.046 0.000 0.293 223 Y C 2.729 178.552 175.900 -0.128 0.000 1.124 223 Y CA 1.451 59.476 58.100 -0.126 0.000 1.159 223 Y CB -0.078 38.336 38.460 -0.077 0.000 1.008 223 Y HN 0.029 nan 8.280 nan 0.000 0.527 224 R N -0.015 120.445 120.500 -0.066 0.000 2.070 224 R HA -0.182 4.185 4.340 0.045 0.000 0.233 224 R C 2.523 178.695 176.300 -0.213 0.000 1.137 224 R CA 1.615 57.632 56.100 -0.138 0.000 0.945 224 R CB -0.443 29.764 30.300 -0.156 0.000 0.845 224 R HN 0.230 nan 8.270 nan 0.000 0.430 225 R N 0.462 120.840 120.500 -0.203 0.000 2.103 225 R HA -0.159 4.208 4.340 0.045 0.000 0.242 225 R C 1.623 177.776 176.300 -0.245 0.000 1.142 225 R CA 1.555 57.529 56.100 -0.210 0.000 0.960 225 R CB -0.049 30.114 30.300 -0.229 0.000 0.858 225 R HN 0.164 nan 8.270 nan 0.000 0.439 226 M N 0.491 119.907 119.600 -0.306 0.000 2.619 226 M HA 0.005 4.512 4.480 0.045 0.000 0.251 226 M C 0.352 176.479 176.300 -0.289 0.000 1.106 226 M CA 0.815 55.928 55.300 -0.312 0.000 1.086 226 M CB -0.337 32.009 32.600 -0.423 0.000 1.465 226 M HN 0.103 nan 8.290 nan 0.000 0.506 227 N N 0.459 118.965 118.700 -0.322 0.000 2.299 227 N HA 0.060 4.827 4.740 0.045 0.000 0.246 227 N C -0.827 174.594 175.510 -0.148 0.000 1.254 227 N CA -0.005 52.887 53.050 -0.264 0.000 0.879 227 N CB 0.632 38.861 38.487 -0.429 0.000 1.214 227 N HN 0.087 nan 8.380 nan 0.000 0.510 228 D N 1.139 121.450 120.400 -0.149 0.000 2.704 228 D HA -0.176 4.491 4.640 0.045 0.000 0.232 228 D C -0.586 175.627 176.300 -0.144 0.000 1.183 228 D CA 0.852 54.778 54.000 -0.124 0.000 0.647 228 D CB -1.156 39.600 40.800 -0.074 0.000 1.013 228 D HN 0.477 nan 8.370 nan 0.000 0.415 229 I N 0.536 120.993 120.570 -0.188 0.000 2.406 229 I HA 0.353 4.551 4.170 0.045 0.000 0.290 229 I C -1.892 173.970 176.117 -0.425 0.000 0.999 229 I CA -2.141 58.984 61.300 -0.290 0.000 1.124 229 I CB 1.957 39.929 38.000 -0.047 0.000 1.289 229 I HN -0.194 nan 8.210 nan 0.000 0.441 230 P HA 0.121 nan 4.420 nan 0.000 0.274 230 P C 0.446 177.503 177.300 -0.404 0.000 1.237 230 P CA -0.230 62.494 63.100 -0.627 0.000 0.793 230 P CB 1.206 32.375 31.700 -0.884 0.000 0.977 231 G N 0.241 108.929 108.800 -0.187 0.000 3.088 231 G HA2 -0.068 3.919 3.960 0.045 0.000 0.217 231 G HA3 -0.068 3.919 3.960 0.045 0.000 0.217 231 G C 0.921 175.912 174.900 0.152 0.000 1.159 231 G CA 0.079 45.176 45.100 -0.005 0.000 0.760 231 G HN 0.403 nan 8.290 nan 0.000 0.550 232 D N -0.543 119.901 120.400 0.073 0.000 2.348 232 D HA 0.006 4.673 4.640 0.045 0.000 0.211 232 D C 1.412 177.931 176.300 0.365 0.000 0.998 232 D CA -0.066 54.040 54.000 0.176 0.000 0.873 232 D CB 0.166 41.043 40.800 0.128 0.000 0.925 232 D HN 0.248 nan 8.370 nan 0.000 0.524 233 W N 1.318 122.737 121.300 0.198 0.000 2.424 233 W HA 0.238 4.926 4.660 0.047 0.000 0.323 233 W C 1.595 178.117 176.519 0.005 0.000 1.175 233 W CA 1.427 58.846 57.345 0.123 0.000 1.312 233 W CB -1.133 28.424 29.460 0.163 0.000 1.186 233 W HN 0.070 nan 8.180 nan 0.000 0.463 234 G N -0.990 107.927 108.800 0.196 0.000 2.655 234 G HA2 -0.045 3.942 3.960 0.045 0.000 0.680 234 G HA3 -0.045 3.942 3.960 0.045 0.000 0.680 234 G C -0.443 173.758 174.900 -1.165 0.000 1.302 234 G CA -0.506 44.097 45.100 -0.829 0.000 0.872 234 G HN 0.167 nan 8.290 nan 0.000 0.540 235 T N -0.379 113.500 114.554 -1.125 0.000 2.952 235 T HA 0.898 5.275 4.350 0.045 0.000 0.286 235 T C 0.474 175.119 174.700 -0.092 0.000 1.024 235 T CA 0.299 62.079 62.100 -0.534 0.000 1.029 235 T CB 1.868 70.575 68.868 -0.268 0.000 1.094 235 T HN 2.103 nan 8.240 nan 0.000 0.515 236 A N 0.609 123.434 122.820 0.008 0.000 2.380 236 A HA 0.815 5.162 4.320 0.045 0.000 0.315 236 A C -0.873 176.776 177.584 0.110 0.000 1.101 236 A CA -0.829 51.282 52.037 0.123 0.000 0.771 236 A CB 1.654 20.688 19.000 0.057 0.000 1.287 236 A HN 0.738 nan 8.150 nan 0.000 0.436 237 V N 2.530 122.506 119.914 0.104 0.000 2.555 237 V HA 0.456 4.604 4.120 0.045 0.000 0.302 237 V C -0.998 175.087 176.094 -0.015 0.000 1.038 237 V CA -0.895 61.392 62.300 -0.022 0.000 0.887 237 V CB 1.725 33.421 31.823 -0.212 0.000 0.991 237 V HN 0.911 nan 8.190 nan 0.000 0.434 238 N N 4.586 123.267 118.700 -0.032 0.000 2.400 238 N HA 0.498 5.266 4.740 0.045 0.000 0.288 238 N C -1.190 174.209 175.510 -0.184 0.000 1.024 238 N CA -0.298 52.721 53.050 -0.051 0.000 0.894 238 N CB 2.257 40.795 38.487 0.084 0.000 1.173 238 N HN 0.427 nan 8.380 nan 0.000 0.487 239 V N 2.472 122.083 119.914 -0.505 0.000 2.334 239 V HA 0.308 4.455 4.120 0.045 0.000 0.281 239 V C -0.020 175.723 176.094 -0.584 0.000 1.016 239 V CA -0.526 61.387 62.300 -0.645 0.000 0.832 239 V CB 1.397 32.527 31.823 -1.156 0.000 0.999 239 V HN 0.570 nan 8.190 nan 0.000 0.439 240 Q N 1.591 121.256 119.800 -0.226 0.000 2.377 240 Q HA 0.393 4.760 4.340 0.045 0.000 0.271 240 Q C -0.257 175.699 176.000 -0.074 0.000 1.077 240 Q CA -0.574 55.172 55.803 -0.095 0.000 0.820 240 Q CB 2.377 31.163 28.738 0.080 0.000 1.347 240 Q HN 0.691 nan 8.270 nan 0.000 0.444 241 T N 3.674 118.192 114.554 -0.060 0.000 2.840 241 T HA 0.135 4.513 4.350 0.045 0.000 0.276 241 T C 0.366 174.999 174.700 -0.111 0.000 0.912 241 T CA -0.363 61.699 62.100 -0.064 0.000 1.116 241 T CB -0.421 68.405 68.868 -0.070 0.000 0.895 241 T HN 0.524 nan 8.240 nan 0.000 0.570 242 M N 5.832 125.340 119.600 -0.153 0.000 2.175 242 M HA 0.043 4.550 4.480 0.045 0.000 0.355 242 M C -0.585 175.431 176.300 -0.472 0.000 1.102 242 M CA 0.798 55.890 55.300 -0.347 0.000 0.886 242 M CB -0.008 32.370 32.600 -0.371 0.000 1.730 242 M HN 0.469 nan 8.290 nan 0.000 0.475 243 V N 2.987 122.509 119.914 -0.653 0.000 2.808 243 V HA 0.672 4.819 4.120 0.045 0.000 0.308 243 V C -1.303 174.499 176.094 -0.488 0.000 1.099 243 V CA -1.081 60.918 62.300 -0.503 0.000 0.920 243 V CB 1.825 33.292 31.823 -0.594 0.000 1.014 243 V HN 0.630 nan 8.190 nan 0.000 0.425 244 F N 2.124 122.111 119.950 0.062 0.000 2.426 244 F HA 0.771 5.326 4.527 0.045 0.000 0.348 244 F C 1.216 177.046 175.800 0.050 0.000 1.124 244 F CA -0.668 57.402 58.000 0.116 0.000 1.008 244 F CB 2.012 41.186 39.000 0.290 0.000 1.139 244 F HN 0.726 nan 8.300 nan 0.000 0.452 245 G N 1.643 110.568 108.800 0.207 0.000 3.314 245 G HA2 -0.040 3.947 3.960 0.045 0.000 0.238 245 G HA3 -0.040 3.947 3.960 0.045 0.000 0.238 245 G C 0.507 175.470 174.900 0.105 0.000 1.184 245 G CA -0.144 45.021 45.100 0.109 0.000 0.806 245 G HN 0.624 nan 8.290 nan 0.000 0.536 246 N N -0.494 118.314 118.700 0.180 0.000 2.365 246 N HA 0.101 4.868 4.740 0.045 0.000 0.257 246 N C 0.899 176.406 175.510 -0.006 0.000 1.287 246 N CA -0.426 52.718 53.050 0.157 0.000 0.882 246 N CB 0.182 38.842 38.487 0.287 0.000 1.250 246 N HN 0.065 nan 8.380 nan 0.000 0.507 247 K N 0.080 120.301 120.400 -0.299 0.000 2.366 247 K HA 0.124 4.472 4.320 0.045 0.000 0.198 247 K C 0.677 177.072 176.600 -0.340 0.000 1.044 247 K CA 0.986 56.812 56.287 -0.769 0.000 0.973 247 K CB 0.214 32.307 32.500 -0.678 0.000 0.767 247 K HN 0.489 nan 8.250 nan 0.000 0.475 248 G N 0.393 109.105 108.800 -0.148 0.000 2.347 248 G HA2 -0.137 3.850 3.960 0.045 0.000 0.224 248 G HA3 -0.137 3.850 3.960 0.045 0.000 0.224 248 G C -0.501 174.378 174.900 -0.035 0.000 1.318 248 G CA -0.614 44.442 45.100 -0.073 0.000 1.016 248 G HN 0.073 nan 8.290 nan 0.000 0.469 249 E N 0.120 120.305 120.200 -0.025 0.000 2.401 249 E HA 0.032 4.410 4.350 0.045 0.000 0.199 249 E C 1.662 178.265 176.600 0.004 0.000 1.023 249 E CA 1.584 57.979 56.400 -0.008 0.000 0.859 249 E CB -0.054 29.643 29.700 -0.006 0.000 0.780 249 E HN 0.530 nan 8.360 nan 0.000 0.523 250 T N -2.769 111.785 114.554 -0.000 0.000 3.288 250 T HA 0.328 4.705 4.350 0.045 0.000 0.293 250 T C 0.095 174.814 174.700 0.031 0.000 1.008 250 T CA -0.607 61.505 62.100 0.020 0.000 0.929 250 T CB 0.643 69.520 68.868 0.016 0.000 1.152 250 T HN -0.186 nan 8.240 nan 0.000 0.517 251 S N -0.078 115.637 115.700 0.024 0.000 2.542 251 S HA 0.915 5.412 4.470 0.045 0.000 0.293 251 S C 0.057 174.685 174.600 0.047 0.000 1.089 251 S CA -0.688 57.537 58.200 0.042 0.000 0.961 251 S CB 2.026 65.235 63.200 0.015 0.000 1.062 251 S HN 0.750 nan 8.310 nan 0.000 0.483 252 G N -0.040 108.790 108.800 0.049 0.000 2.706 252 G HA2 0.723 4.710 3.960 0.045 0.000 0.307 252 G HA3 0.723 4.710 3.960 0.045 0.000 0.307 252 G C -1.443 173.399 174.900 -0.096 0.000 1.307 252 G CA -0.477 44.630 45.100 0.011 0.000 0.790 252 G HN 0.775 nan 8.290 nan 0.000 0.503 253 T N -1.689 112.733 114.554 -0.220 0.000 3.393 253 T HA 0.660 5.037 4.350 0.045 0.000 0.359 253 T C -0.462 173.894 174.700 -0.574 0.000 1.380 253 T CA 0.572 62.411 62.100 -0.434 0.000 1.132 253 T CB 0.957 69.696 68.868 -0.215 0.000 1.284 253 T HN 1.846 nan 8.240 nan 0.000 0.477 254 G N 1.940 110.053 108.800 -1.146 0.000 2.690 254 G HA2 0.680 4.667 3.960 0.045 0.000 0.291 254 G HA3 0.680 4.667 3.960 0.045 0.000 0.291 254 G C -1.579 173.125 174.900 -0.326 0.000 1.403 254 G CA -0.566 44.115 45.100 -0.697 0.000 0.864 254 G HN 0.838 nan 8.290 nan 0.000 0.480 255 V N 0.003 119.936 119.914 0.033 0.000 2.513 255 V HA 0.888 5.035 4.120 0.045 0.000 0.299 255 V C 0.332 176.601 176.094 0.292 0.000 1.035 255 V CA -0.115 62.267 62.300 0.136 0.000 0.889 255 V CB 1.053 32.957 31.823 0.135 0.000 0.988 255 V HN 1.495 nan 8.190 nan 0.000 0.440 256 A N 3.689 126.671 122.820 0.270 0.000 2.604 256 A HA 0.891 5.238 4.320 0.045 0.000 0.295 256 A C -1.754 175.952 177.584 0.204 0.000 1.067 256 A CA -0.424 51.853 52.037 0.400 0.000 0.683 256 A CB 1.413 20.731 19.000 0.531 0.000 1.281 256 A HN 0.533 nan 8.150 nan 0.000 0.407 257 F N 0.508 120.628 119.950 0.284 0.000 2.532 257 F HA 0.460 5.014 4.527 0.045 0.000 0.321 257 F C 1.845 177.738 175.800 0.154 0.000 1.089 257 F CA 0.275 58.401 58.000 0.210 0.000 0.926 257 F CB 2.519 41.650 39.000 0.218 0.000 1.168 257 F HN 0.715 nan 8.300 nan 0.000 0.459 258 T N -0.924 113.775 114.554 0.241 0.000 2.915 258 T HA 0.090 4.468 4.350 0.045 0.000 0.269 258 T C 0.661 175.442 174.700 0.134 0.000 1.071 258 T CA 0.855 63.033 62.100 0.130 0.000 1.132 258 T CB -0.087 68.827 68.868 0.077 0.000 0.878 258 T HN 0.516 nan 8.240 nan 0.000 0.479 259 R N 1.100 121.700 120.500 0.166 0.000 2.584 259 R HA 0.345 4.712 4.340 0.045 0.000 0.276 259 R C -1.072 175.242 176.300 0.022 0.000 1.046 259 R CA -0.845 55.309 56.100 0.090 0.000 0.906 259 R CB 0.951 31.285 30.300 0.057 0.000 1.215 259 R HN 0.111 nan 8.270 nan 0.000 0.449 260 N N 4.750 123.395 118.700 -0.090 0.000 2.223 260 N HA -0.062 4.705 4.740 0.045 0.000 0.271 260 N C -1.522 173.730 175.510 -0.429 0.000 1.315 260 N CA -0.402 52.390 53.050 -0.431 0.000 0.835 260 N CB 0.848 39.127 38.487 -0.347 0.000 1.066 260 N HN 0.387 nan 8.380 nan 0.000 0.486 261 P HA 0.018 nan 4.420 nan 0.000 0.237 261 P C 0.081 177.164 177.300 -0.361 0.000 1.178 261 P CA 0.575 63.374 63.100 -0.501 0.000 0.766 261 P CB 0.385 31.552 31.700 -0.888 0.000 0.876 262 S N -1.454 114.015 115.700 -0.384 0.000 2.666 262 S HA 0.085 4.582 4.470 0.045 0.000 0.239 262 S C 1.257 175.757 174.600 -0.167 0.000 1.031 262 S CA 0.445 58.502 58.200 -0.238 0.000 1.015 262 S CB 0.255 63.321 63.200 -0.223 0.000 0.981 262 S HN 0.351 nan 8.310 nan 0.000 0.547 263 T N -3.111 111.343 114.554 -0.166 0.000 3.131 263 T HA 0.466 4.843 4.350 0.045 0.000 0.283 263 T C 1.434 176.090 174.700 -0.072 0.000 0.906 263 T CA 0.818 62.857 62.100 -0.100 0.000 0.882 263 T CB 0.377 69.195 68.868 -0.082 0.000 1.208 263 T HN 0.527 nan 8.240 nan 0.000 0.561 264 G N 1.713 110.461 108.800 -0.086 0.000 2.284 264 G HA2 -0.261 3.726 3.960 0.045 0.000 0.247 264 G HA3 -0.261 3.726 3.960 0.045 0.000 0.247 264 G C -0.033 174.849 174.900 -0.030 0.000 1.012 264 G CA 0.093 45.167 45.100 -0.042 0.000 0.618 264 G HN 0.655 nan 8.290 nan 0.000 0.521 265 E N 0.943 121.119 120.200 -0.039 0.000 3.225 265 E HA -0.019 4.359 4.350 0.045 0.000 0.289 265 E C 0.681 177.286 176.600 0.009 0.000 0.885 265 E CA 1.104 57.497 56.400 -0.011 0.000 0.986 265 E CB 0.469 30.162 29.700 -0.012 0.000 0.971 265 E HN 0.558 nan 8.360 nan 0.000 0.508 266 K N 1.134 121.549 120.400 0.026 0.000 2.172 266 K HA 0.471 4.819 4.320 0.045 0.000 0.276 266 K C -0.240 176.390 176.600 0.050 0.000 1.013 266 K CA 0.445 56.753 56.287 0.035 0.000 0.913 266 K CB 1.134 33.652 32.500 0.031 0.000 1.055 266 K HN 0.638 nan 8.250 nan 0.000 0.461 267 G N 3.553 112.388 108.800 0.059 0.000 2.742 267 G HA2 -0.047 3.940 3.960 0.045 0.000 0.686 267 G HA3 -0.047 3.940 3.960 0.045 0.000 0.686 267 G C -0.919 174.055 174.900 0.123 0.000 1.220 267 G CA -0.845 44.299 45.100 0.074 0.000 0.783 267 G HN 0.526 nan 8.290 nan 0.000 0.646 268 I N 1.336 121.975 120.570 0.114 0.000 3.076 268 I HA 0.024 4.221 4.170 0.045 0.000 0.321 268 I C 0.334 176.631 176.117 0.299 0.000 1.216 268 I CA 1.140 62.545 61.300 0.175 0.000 1.460 268 I CB -0.096 37.974 38.000 0.115 0.000 1.313 268 I HN 0.626 nan 8.210 nan 0.000 0.546 269 Y N 5.651 126.075 120.300 0.207 0.000 2.332 269 Y HA 0.637 5.214 4.550 0.045 0.000 0.325 269 Y C -0.120 175.979 175.900 0.331 0.000 1.054 269 Y CA -0.270 57.958 58.100 0.213 0.000 1.119 269 Y CB 1.461 39.998 38.460 0.130 0.000 1.168 269 Y HN 0.710 nan 8.280 nan 0.000 0.439 270 G N 4.438 113.281 108.800 0.072 0.000 2.342 270 G HA2 0.484 4.471 3.960 0.045 0.000 0.297 270 G HA3 0.484 4.471 3.960 0.045 0.000 0.297 270 G C -1.853 173.117 174.900 0.117 0.000 1.313 270 G CA -0.969 44.246 45.100 0.191 0.000 0.830 270 G HN 0.539 nan 8.290 nan 0.000 0.506 271 E N -1.503 118.813 120.200 0.195 0.000 2.447 271 E HA 0.796 5.174 4.350 0.045 0.000 0.258 271 E C -1.325 175.487 176.600 0.353 0.000 0.916 271 E CA -0.999 55.535 56.400 0.223 0.000 0.846 271 E CB 2.730 32.479 29.700 0.082 0.000 1.517 271 E HN 1.076 nan 8.360 nan 0.000 0.418 272 Y N -1.799 118.495 120.300 -0.010 0.000 2.810 272 Y HA 0.582 5.159 4.550 0.045 0.000 0.355 272 Y C -2.462 173.391 175.900 -0.079 0.000 1.211 272 Y CA -1.283 56.761 58.100 -0.094 0.000 1.112 272 Y CB 0.666 39.064 38.460 -0.103 0.000 1.383 272 Y HN 0.486 nan 8.280 nan 0.000 0.458 273 L N 2.957 123.996 121.223 -0.307 0.000 2.455 273 L HA 0.498 4.865 4.340 0.045 0.000 0.264 273 L C -0.986 175.776 176.870 -0.180 0.000 0.968 273 L CA -1.092 53.536 54.840 -0.352 0.000 0.827 273 L CB 2.111 44.044 42.059 -0.211 0.000 1.317 273 L HN 0.602 nan 8.230 nan 0.000 0.407 274 I N 3.047 123.511 120.570 -0.176 0.000 2.496 274 I HA 0.047 4.244 4.170 0.045 0.000 0.285 274 I C 0.418 176.512 176.117 -0.038 0.000 1.080 274 I CA 0.252 61.527 61.300 -0.042 0.000 1.404 274 I CB 0.425 38.408 38.000 -0.029 0.000 1.403 274 I HN 0.787 nan 8.210 nan 0.000 0.539 275 N N 5.130 123.829 118.700 -0.002 0.000 2.441 275 N HA -0.084 4.683 4.740 0.045 0.000 0.292 275 N C -1.101 174.421 175.510 0.021 0.000 1.378 275 N CA 1.001 54.059 53.050 0.013 0.000 0.651 275 N CB -0.224 38.267 38.487 0.005 0.000 0.926 275 N HN 0.997 nan 8.380 nan 0.000 0.517 276 A N 3.047 125.895 122.820 0.047 0.000 2.441 276 A HA 0.525 4.872 4.320 0.045 0.000 0.295 276 A C -1.544 176.082 177.584 0.070 0.000 0.992 276 A CA -0.730 51.340 52.037 0.056 0.000 0.603 276 A CB 0.789 19.790 19.000 0.000 0.000 1.385 276 A HN 0.412 nan 8.150 nan 0.000 0.470 277 Q N 0.905 120.751 119.800 0.077 0.000 2.700 277 Q HA 0.399 4.766 4.340 0.045 0.000 0.249 277 Q C 1.339 177.355 176.000 0.027 0.000 1.033 277 Q CA -0.057 55.787 55.803 0.068 0.000 0.804 277 Q CB 1.251 30.064 28.738 0.124 0.000 1.164 277 Q HN 1.439 nan 8.270 nan 0.000 0.500 278 G N 2.037 110.826 108.800 -0.019 0.000 2.884 278 G HA2 -0.454 3.533 3.960 0.045 0.000 0.262 278 G HA3 -0.454 3.533 3.960 0.045 0.000 0.262 278 G C 1.063 175.965 174.900 0.004 0.000 1.107 278 G CA 1.709 46.791 45.100 -0.031 0.000 0.739 278 G HN 0.581 nan 8.290 nan 0.000 0.663 279 E N 0.569 120.774 120.200 0.009 0.000 2.507 279 E HA -0.257 4.120 4.350 0.045 0.000 0.242 279 E C 2.022 178.647 176.600 0.042 0.000 1.169 279 E CA 2.224 58.641 56.400 0.029 0.000 0.972 279 E CB -0.086 29.636 29.700 0.038 0.000 0.806 279 E HN 0.869 nan 8.360 nan 0.000 0.449 280 D N -2.908 117.518 120.400 0.044 0.000 2.559 280 D HA -0.028 4.639 4.640 0.045 0.000 0.296 280 D C 1.880 178.207 176.300 0.045 0.000 1.118 280 D CA 0.953 54.982 54.000 0.049 0.000 0.967 280 D CB -0.776 40.057 40.800 0.055 0.000 1.607 280 D HN 0.225 nan 8.370 nan 0.000 0.493 281 V N 0.742 120.682 119.914 0.042 0.000 2.343 281 V HA -0.148 3.999 4.120 0.045 0.000 0.247 281 V C 2.543 178.642 176.094 0.008 0.000 1.051 281 V CA 1.261 63.580 62.300 0.031 0.000 1.036 281 V CB -1.147 30.695 31.823 0.032 0.000 0.654 281 V HN 0.084 nan 8.190 nan 0.000 0.451 282 V N 1.006 120.919 119.914 -0.002 0.000 2.270 282 V HA 0.027 4.174 4.120 0.045 0.000 0.245 282 V C 2.303 178.407 176.094 0.017 0.000 1.043 282 V CA 1.686 63.979 62.300 -0.011 0.000 1.014 282 V CB -1.029 30.782 31.823 -0.021 0.000 0.645 282 V HN 0.643 nan 8.190 nan 0.000 0.447 283 A N 0.039 122.881 122.820 0.037 0.000 3.046 283 A HA 0.552 4.899 4.320 0.045 0.000 0.259 283 A C 0.671 178.288 177.584 0.055 0.000 1.843 283 A CA 0.866 52.938 52.037 0.059 0.000 1.451 283 A CB -1.228 17.817 19.000 0.077 0.000 1.025 283 A HN 0.671 nan 8.150 nan 0.000 0.625 284 G N -1.288 107.538 108.800 0.044 0.000 2.393 284 G HA2 0.388 4.375 3.960 0.045 0.000 0.264 284 G HA3 0.388 4.375 3.960 0.045 0.000 0.264 284 G C -0.044 174.879 174.900 0.039 0.000 1.221 284 G CA 0.177 45.305 45.100 0.046 0.000 0.912 284 G HN 0.676 nan 8.290 nan 0.000 0.483 285 V N 0.537 120.482 119.914 0.051 0.000 3.994 285 V HA 0.453 4.600 4.120 0.045 0.000 0.269 285 V C 1.510 177.622 176.094 0.030 0.000 0.932 285 V CA 1.554 63.891 62.300 0.060 0.000 0.938 285 V CB 0.296 32.181 31.823 0.103 0.000 1.214 285 V HN 1.542 nan 8.190 nan 0.000 0.423 286 R N 0.617 121.145 120.500 0.045 0.000 2.865 286 R HA -0.138 4.229 4.340 0.045 0.000 0.269 286 R C -0.035 176.194 176.300 -0.117 0.000 0.915 286 R CA 0.779 56.813 56.100 -0.110 0.000 0.715 286 R CB -1.972 28.227 30.300 -0.167 0.000 1.735 286 R HN 0.936 nan 8.270 nan 0.000 0.506 287 T N 5.262 119.770 114.554 -0.075 0.000 2.596 287 T HA -0.028 4.349 4.350 0.045 0.000 0.252 287 T C -1.792 172.839 174.700 -0.115 0.000 1.033 287 T CA -0.191 61.869 62.100 -0.067 0.000 1.215 287 T CB 0.105 68.950 68.868 -0.038 0.000 1.011 287 T HN 0.384 nan 8.240 nan 0.000 0.498 288 P HA 0.091 nan 4.420 nan 0.000 0.271 288 P C -0.100 177.105 177.300 -0.159 0.000 1.238 288 P CA -0.232 62.779 63.100 -0.148 0.000 0.794 288 P CB 0.462 32.118 31.700 -0.073 0.000 0.959 289 Q N 0.816 120.463 119.800 -0.255 0.000 2.345 289 Q HA 0.444 4.811 4.340 0.045 0.000 0.268 289 Q C -2.474 173.608 176.000 0.137 0.000 1.054 289 Q CA -2.456 53.259 55.803 -0.147 0.000 0.835 289 Q CB 0.660 29.188 28.738 -0.350 0.000 1.339 289 Q HN 0.224 nan 8.270 nan 0.000 0.447 290 P HA -0.063 nan 4.420 nan 0.000 0.261 290 P C 0.341 177.815 177.300 0.289 0.000 1.203 290 P CA 0.213 63.409 63.100 0.160 0.000 0.767 290 P CB 0.279 32.033 31.700 0.091 0.000 0.785 291 I N 4.661 125.397 120.570 0.277 0.000 2.479 291 I HA -0.259 3.938 4.170 0.045 0.000 0.258 291 I C 1.591 177.784 176.117 0.128 0.000 1.165 291 I CA 2.164 63.589 61.300 0.209 0.000 1.422 291 I CB -0.494 37.687 38.000 0.301 0.000 1.087 291 I HN 0.328 nan 8.210 nan 0.000 0.441 292 T N -2.790 111.834 114.554 0.115 0.000 3.194 292 T HA -0.017 4.360 4.350 0.045 0.000 0.251 292 T C 1.481 176.086 174.700 -0.158 0.000 1.132 292 T CA 0.731 62.829 62.100 -0.003 0.000 1.028 292 T CB -0.166 68.747 68.868 0.076 0.000 0.976 292 T HN 0.615 nan 8.240 nan 0.000 0.535 293 Q N -0.322 119.440 119.800 -0.063 0.000 2.392 293 Q HA 0.302 4.669 4.340 0.045 0.000 0.219 293 Q C 1.871 177.834 176.000 -0.063 0.000 0.895 293 Q CA -0.198 55.594 55.803 -0.018 0.000 0.929 293 Q CB 0.053 28.867 28.738 0.128 0.000 1.077 293 Q HN 0.428 nan 8.270 nan 0.000 0.532 294 L N 1.520 122.633 121.223 -0.183 0.000 2.551 294 L HA -0.125 4.243 4.340 0.045 0.000 0.230 294 L C 1.469 178.163 176.870 -0.293 0.000 1.163 294 L CA 1.794 56.460 54.840 -0.290 0.000 0.826 294 L CB -0.339 41.321 42.059 -0.666 0.000 0.943 294 L HN 0.414 nan 8.230 nan 0.000 0.452 295 E N -0.726 119.139 120.200 -0.558 0.000 2.250 295 E HA -0.125 4.253 4.350 0.045 0.000 0.192 295 E C 1.538 178.022 176.600 -0.193 0.000 0.986 295 E CA 0.274 56.348 56.400 -0.543 0.000 0.849 295 E CB 0.320 29.480 29.700 -0.900 0.000 0.797 295 E HN 0.532 nan 8.360 nan 0.000 0.482 296 N N 1.405 120.022 118.700 -0.138 0.000 2.092 296 N HA -0.126 4.641 4.740 0.045 0.000 0.189 296 N C 1.291 176.794 175.510 -0.012 0.000 1.040 296 N CA 1.387 54.407 53.050 -0.050 0.000 0.845 296 N CB -0.389 38.084 38.487 -0.024 0.000 1.017 296 N HN 0.184 nan 8.380 nan 0.000 0.426 297 D N 0.640 121.049 120.400 0.015 0.000 2.077 297 D HA -0.073 4.594 4.640 0.045 0.000 0.193 297 D C 0.856 177.184 176.300 0.047 0.000 0.989 297 D CA 1.127 55.157 54.000 0.049 0.000 0.831 297 D CB -0.076 40.789 40.800 0.109 0.000 0.979 297 D HN 0.147 nan 8.370 nan 0.000 0.449 298 M N 1.248 120.878 119.600 0.050 0.000 3.234 298 M HA 0.167 4.674 4.480 0.045 0.000 0.211 298 M C -2.217 174.123 176.300 0.066 0.000 1.149 298 M CA -1.569 53.767 55.300 0.060 0.000 1.050 298 M CB 1.680 34.329 32.600 0.082 0.000 1.281 298 M HN -0.195 nan 8.290 nan 0.000 0.574 299 P HA -0.108 nan 4.420 nan 0.000 0.296 299 P C -0.227 177.128 177.300 0.092 0.000 1.447 299 P CA 1.092 64.233 63.100 0.069 0.000 0.750 299 P CB 0.145 31.865 31.700 0.034 0.000 1.451 300 D N -1.903 118.553 120.400 0.093 0.000 2.318 300 D HA 0.038 4.705 4.640 0.045 0.000 0.294 300 D C 1.386 177.737 176.300 0.084 0.000 1.091 300 D CA 0.111 54.156 54.000 0.075 0.000 0.883 300 D CB -0.023 40.807 40.800 0.051 0.000 1.545 300 D HN 0.062 nan 8.370 nan 0.000 0.513 301 C N 0.648 120.008 119.300 0.101 0.000 2.467 301 C HA 0.003 4.490 4.460 0.045 0.000 0.279 301 C C 2.286 177.364 174.990 0.147 0.000 1.347 301 C CA 0.137 59.214 59.018 0.098 0.000 1.748 301 C CB -1.046 26.747 27.740 0.089 0.000 1.977 301 C HN 0.374 nan 8.230 nan 0.000 0.501 302 Y N 2.339 122.661 120.300 0.037 0.000 2.200 302 Y HA -0.146 4.432 4.550 0.045 0.000 0.290 302 Y C 2.460 178.386 175.900 0.044 0.000 1.137 302 Y CA 2.072 60.209 58.100 0.063 0.000 1.163 302 Y CB -0.380 38.097 38.460 0.027 0.000 0.988 302 Y HN 0.188 nan 8.280 nan 0.000 0.518 303 K N 0.346 120.813 120.400 0.111 0.000 2.113 303 K HA -0.285 4.062 4.320 0.045 0.000 0.208 303 K C 2.192 178.762 176.600 -0.049 0.000 1.047 303 K CA 2.160 58.456 56.287 0.015 0.000 0.928 303 K CB -0.258 32.270 32.500 0.046 0.000 0.716 303 K HN 0.541 nan 8.250 nan 0.000 0.446 304 Q N -1.389 118.409 119.800 -0.004 0.000 2.391 304 Q HA -0.020 4.347 4.340 0.045 0.000 0.211 304 Q C 1.627 177.651 176.000 0.040 0.000 0.908 304 Q CA 0.210 56.014 55.803 0.001 0.000 0.920 304 Q CB -0.049 28.706 28.738 0.029 0.000 1.056 304 Q HN 0.374 nan 8.270 nan 0.000 0.523 305 F N 0.652 120.516 119.950 -0.144 0.000 2.234 305 F HA -0.067 4.487 4.527 0.045 0.000 0.299 305 F C 1.587 177.276 175.800 -0.186 0.000 1.087 305 F CA 1.120 59.017 58.000 -0.171 0.000 1.340 305 F CB 0.045 38.774 39.000 -0.452 0.000 1.031 305 F HN 0.094 nan 8.300 nan 0.000 0.500 306 M N -0.152 119.082 119.600 -0.609 0.000 2.388 306 M HA -0.048 4.460 4.480 0.045 0.000 0.265 306 M C 1.317 177.396 176.300 -0.367 0.000 1.088 306 M CA 0.967 55.862 55.300 -0.674 0.000 1.134 306 M CB -1.052 31.143 32.600 -0.674 0.000 1.384 306 M HN 0.053 nan 8.290 nan 0.000 0.447 307 D N 0.488 120.744 120.400 -0.240 0.000 2.183 307 D HA 0.002 4.669 4.640 0.045 0.000 0.203 307 D C 2.186 178.390 176.300 -0.159 0.000 0.969 307 D CA 0.814 54.718 54.000 -0.161 0.000 0.842 307 D CB 0.062 40.796 40.800 -0.111 0.000 0.957 307 D HN 0.249 nan 8.370 nan 0.000 0.484 308 L N 0.325 121.450 121.223 -0.164 0.000 2.034 308 L HA 0.000 4.368 4.340 0.045 0.000 0.203 308 L C 2.476 179.217 176.870 -0.216 0.000 1.074 308 L CA 0.952 55.649 54.840 -0.239 0.000 0.748 308 L CB -0.561 41.286 42.059 -0.354 0.000 0.905 308 L HN -0.011 nan 8.230 nan 0.000 0.439 309 A N -0.245 122.494 122.820 -0.136 0.000 1.948 309 A HA -0.268 4.080 4.320 0.045 0.000 0.220 309 A C 2.175 179.703 177.584 -0.094 0.000 1.177 309 A CA 1.934 53.916 52.037 -0.092 0.000 0.636 309 A CB -0.440 18.375 19.000 -0.309 0.000 0.815 309 A HN 0.323 nan 8.150 nan 0.000 0.449 310 M N -0.019 119.497 119.600 -0.140 0.000 2.319 310 M HA -0.056 4.451 4.480 0.045 0.000 0.265 310 M C 1.934 178.200 176.300 -0.057 0.000 1.068 310 M CA 1.770 57.016 55.300 -0.090 0.000 1.118 310 M CB -0.736 31.800 32.600 -0.105 0.000 1.395 310 M HN 0.718 nan 8.290 nan 0.000 0.435 311 K N -0.918 119.433 120.400 -0.081 0.000 2.361 311 K HA 0.068 4.415 4.320 0.045 0.000 0.196 311 K C 1.740 178.321 176.600 -0.031 0.000 1.039 311 K CA 0.635 56.880 56.287 -0.070 0.000 1.001 311 K CB -0.300 32.131 32.500 -0.114 0.000 0.795 311 K HN 0.245 nan 8.250 nan 0.000 0.495 312 L N 1.378 122.595 121.223 -0.010 0.000 2.179 312 L HA -0.007 4.360 4.340 0.045 0.000 0.208 312 L C 2.660 179.705 176.870 0.291 0.000 1.096 312 L CA 1.109 56.032 54.840 0.139 0.000 0.779 312 L CB -0.163 41.972 42.059 0.127 0.000 0.922 312 L HN 0.365 nan 8.230 nan 0.000 0.443 313 E N 0.374 120.665 120.200 0.151 0.000 2.158 313 E HA -0.165 4.212 4.350 0.045 0.000 0.191 313 E C 1.843 178.510 176.600 0.110 0.000 0.982 313 E CA 0.723 57.211 56.400 0.146 0.000 0.823 313 E CB 0.307 30.051 29.700 0.073 0.000 0.766 313 E HN 0.420 nan 8.360 nan 0.000 0.468 314 K N -0.810 119.626 120.400 0.059 0.000 2.305 314 K HA -0.078 4.269 4.320 0.045 0.000 0.199 314 K C 1.971 178.567 176.600 -0.006 0.000 1.047 314 K CA 0.629 56.926 56.287 0.017 0.000 0.976 314 K CB -0.094 32.402 32.500 -0.006 0.000 0.765 314 K HN 0.126 nan 8.250 nan 0.000 0.474 315 H N 0.558 119.557 119.070 -0.119 0.000 2.270 315 H HA -0.086 4.497 4.556 0.045 0.000 0.299 315 H C 1.185 176.305 175.328 -0.346 0.000 1.077 315 H CA 1.787 57.653 56.048 -0.303 0.000 1.294 315 H CB -0.146 29.305 29.762 -0.518 0.000 1.371 315 H HN 0.062 nan 8.280 nan 0.000 0.491 316 F N 0.037 119.908 119.950 -0.132 0.000 2.811 316 F HA 0.204 4.758 4.527 0.046 0.000 0.301 316 F C 1.063 176.797 175.800 -0.111 0.000 1.151 316 F CA 0.564 58.464 58.000 -0.166 0.000 1.412 316 F CB -0.035 38.937 39.000 -0.048 0.000 1.113 316 F HN 0.031 nan 8.300 nan 0.000 0.579 317 R N 0.653 121.178 120.500 0.041 0.000 3.627 317 R HA -0.240 4.128 4.340 0.045 0.000 0.281 317 R C -1.001 175.328 176.300 0.048 0.000 1.140 317 R CA 0.949 57.060 56.100 0.018 0.000 0.761 317 R CB -1.582 28.696 30.300 -0.036 0.000 1.181 317 R HN 0.329 nan 8.270 nan 0.000 0.472 318 D N -1.709 118.748 120.400 0.095 0.000 2.639 318 D HA 0.196 4.863 4.640 0.045 0.000 0.271 318 D C -0.723 175.626 176.300 0.082 0.000 1.254 318 D CA -0.713 53.330 54.000 0.071 0.000 0.810 318 D CB 0.921 41.756 40.800 0.058 0.000 1.351 318 D HN -0.029 nan 8.370 nan 0.000 0.427 319 M N 1.728 121.369 119.600 0.069 0.000 2.239 319 M HA 0.149 4.656 4.480 0.045 0.000 0.348 319 M C -1.095 175.247 176.300 0.070 0.000 1.239 319 M CA 0.289 55.639 55.300 0.084 0.000 1.114 319 M CB 0.614 33.275 32.600 0.102 0.000 1.641 319 M HN 0.245 nan 8.290 nan 0.000 0.453 320 Q N 3.471 123.312 119.800 0.067 0.000 2.293 320 Q HA 0.273 4.640 4.340 0.045 0.000 0.261 320 Q C -1.065 174.896 176.000 -0.065 0.000 0.960 320 Q CA -0.316 55.488 55.803 0.003 0.000 0.882 320 Q CB 1.615 30.376 28.738 0.039 0.000 1.275 320 Q HN 0.584 nan 8.270 nan 0.000 0.445 321 D N 4.318 124.596 120.400 -0.203 0.000 2.428 321 D HA 0.258 4.925 4.640 0.045 0.000 0.221 321 D C -0.393 175.733 176.300 -0.289 0.000 1.123 321 D CA -0.211 53.457 54.000 -0.552 0.000 0.869 321 D CB 0.247 40.738 40.800 -0.517 0.000 1.032 321 D HN 0.485 nan 8.370 nan 0.000 0.506 322 M N 0.859 120.356 119.600 -0.172 0.000 2.777 322 M HA 0.639 5.146 4.480 0.045 0.000 0.307 322 M C -0.908 175.407 176.300 0.025 0.000 1.228 322 M CA -0.746 54.562 55.300 0.014 0.000 0.871 322 M CB 2.369 35.107 32.600 0.230 0.000 1.721 322 M HN -0.028 nan 8.290 nan 0.000 0.487 323 E N 1.681 121.903 120.200 0.035 0.000 2.256 323 E HA 0.601 4.978 4.350 0.045 0.000 0.268 323 E C -1.825 174.751 176.600 -0.041 0.000 0.877 323 E CA -0.531 55.874 56.400 0.008 0.000 0.757 323 E CB 2.662 32.351 29.700 -0.018 0.000 1.183 323 E HN 0.624 nan 8.360 nan 0.000 0.418 324 F N -1.001 118.731 119.950 -0.364 0.000 2.603 324 F HA 0.810 5.364 4.527 0.045 0.000 0.317 324 F C -0.695 174.969 175.800 -0.226 0.000 1.066 324 F CA -0.865 56.875 58.000 -0.432 0.000 0.941 324 F CB 1.971 40.480 39.000 -0.818 0.000 1.291 324 F HN 0.117 nan 8.300 nan 0.000 0.472 325 T N 2.817 117.304 114.554 -0.112 0.000 2.933 325 T HA 0.622 4.999 4.350 0.045 0.000 0.305 325 T C -1.037 173.729 174.700 0.110 0.000 1.092 325 T CA -0.482 61.559 62.100 -0.098 0.000 1.008 325 T CB 1.636 70.502 68.868 -0.003 0.000 1.102 325 T HN 0.623 nan 8.240 nan 0.000 0.469 326 I N 2.356 122.982 120.570 0.093 0.000 2.378 326 I HA 0.354 4.551 4.170 0.045 0.000 0.291 326 I C 0.301 176.528 176.117 0.183 0.000 0.992 326 I CA -0.608 60.786 61.300 0.157 0.000 1.154 326 I CB 1.546 39.621 38.000 0.124 0.000 1.315 326 I HN 0.400 nan 8.210 nan 0.000 0.448 327 E N 6.915 127.282 120.200 0.277 0.000 2.373 327 E HA 0.162 4.539 4.350 0.045 0.000 0.233 327 E C -0.773 175.926 176.600 0.164 0.000 1.035 327 E CA -0.250 56.308 56.400 0.264 0.000 0.930 327 E CB 0.376 30.346 29.700 0.449 0.000 1.278 327 E HN 0.543 nan 8.360 nan 0.000 0.452 328 E N 0.506 120.756 120.200 0.083 0.000 2.273 328 E HA -0.302 4.075 4.350 0.045 0.000 0.177 328 E C 0.780 177.413 176.600 0.056 0.000 1.511 328 E CA 0.426 56.851 56.400 0.042 0.000 0.675 328 E CB -1.316 28.387 29.700 0.006 0.000 1.094 328 E HN 0.933 nan 8.360 nan 0.000 0.348 329 G N -0.116 108.718 108.800 0.058 0.000 2.299 329 G HA2 -0.316 3.671 3.960 0.045 0.000 0.237 329 G HA3 -0.316 3.671 3.960 0.045 0.000 0.237 329 G C 0.278 175.197 174.900 0.032 0.000 1.027 329 G CA 0.408 45.535 45.100 0.045 0.000 0.619 329 G HN 0.182 nan 8.290 nan 0.000 0.513 330 K N 0.324 120.750 120.400 0.044 0.000 2.143 330 K HA 0.673 5.021 4.320 0.045 0.000 0.272 330 K C -0.475 176.026 176.600 -0.165 0.000 1.001 330 K CA -0.773 55.473 56.287 -0.069 0.000 0.915 330 K CB 1.931 34.417 32.500 -0.023 0.000 1.047 330 K HN 0.285 nan 8.250 nan 0.000 0.458 331 L N 3.565 124.613 121.223 -0.292 0.000 2.295 331 L HA 0.365 4.733 4.340 0.045 0.000 0.285 331 L C -1.462 175.152 176.870 -0.427 0.000 1.035 331 L CA -0.318 54.411 54.840 -0.185 0.000 0.806 331 L CB 0.526 42.578 42.059 -0.012 0.000 1.214 331 L HN 0.394 nan 8.230 nan 0.000 0.426 332 Y N 4.482 124.879 120.300 0.162 0.000 2.361 332 Y HA 0.483 5.061 4.550 0.045 0.000 0.337 332 Y C -0.727 175.278 175.900 0.175 0.000 0.965 332 Y CA -0.523 57.685 58.100 0.180 0.000 1.091 332 Y CB 1.537 40.060 38.460 0.105 0.000 1.182 332 Y HN 0.383 nan 8.280 nan 0.000 0.450 333 F N 4.068 124.147 119.950 0.215 0.000 2.408 333 F HA 0.394 4.948 4.527 0.045 0.000 0.344 333 F C 0.544 176.432 175.800 0.147 0.000 1.112 333 F CA -0.619 57.486 58.000 0.176 0.000 1.096 333 F CB 1.077 40.154 39.000 0.128 0.000 1.129 333 F HN 0.418 nan 8.300 nan 0.000 0.486 334 L N 0.799 122.147 121.223 0.209 0.000 3.086 334 L HA 0.490 4.858 4.340 0.045 0.000 0.274 334 L C -0.328 176.596 176.870 0.089 0.000 1.184 334 L CA -0.176 54.742 54.840 0.130 0.000 1.002 334 L CB 0.143 42.241 42.059 0.066 0.000 1.383 334 L HN 0.539 nan 8.230 nan 0.000 0.582 335 Q N 0.556 120.435 119.800 0.132 0.000 2.686 335 Q HA 0.465 4.832 4.340 0.045 0.000 0.266 335 Q C -1.657 174.414 176.000 0.119 0.000 0.965 335 Q CA -0.204 55.644 55.803 0.075 0.000 0.894 335 Q CB 2.796 31.547 28.738 0.022 0.000 1.583 335 Q HN 0.237 nan 8.270 nan 0.000 0.405 336 T N 1.629 116.198 114.554 0.025 0.000 2.894 336 T HA 0.877 5.255 4.350 0.045 0.000 0.309 336 T C -1.353 173.229 174.700 -0.195 0.000 1.208 336 T CA -1.050 61.025 62.100 -0.040 0.000 1.016 336 T CB 1.799 70.644 68.868 -0.038 0.000 1.192 336 T HN 0.760 nan 8.240 nan 0.000 0.491 337 R N -0.006 120.340 120.500 -0.257 0.000 3.513 337 R HA 0.259 4.626 4.340 0.045 0.000 0.243 337 R C -2.110 174.078 176.300 -0.187 0.000 1.033 337 R CA -0.999 54.944 56.100 -0.261 0.000 1.083 337 R CB 0.001 30.212 30.300 -0.149 0.000 1.246 337 R HN 0.450 nan 8.270 nan 0.000 0.526 338 N N 1.334 119.930 118.700 -0.174 0.000 2.417 338 N HA 0.109 4.877 4.740 0.045 0.000 0.272 338 N C 0.360 175.877 175.510 0.011 0.000 1.304 338 N CA 1.082 54.093 53.050 -0.065 0.000 0.906 338 N CB 0.619 39.082 38.487 -0.040 0.000 1.135 338 N HN 0.730 nan 8.380 nan 0.000 0.483 339 G N 2.184 111.029 108.800 0.075 0.000 2.305 339 G HA2 -0.054 3.933 3.960 0.045 0.000 0.243 339 G HA3 -0.054 3.933 3.960 0.045 0.000 0.243 339 G C 0.401 175.417 174.900 0.194 0.000 1.288 339 G CA -0.353 44.883 45.100 0.226 0.000 0.901 339 G HN 0.346 nan 8.290 nan 0.000 0.516 340 K N 1.706 122.226 120.400 0.200 0.000 2.355 340 K HA 0.196 4.543 4.320 0.045 0.000 0.270 340 K C 0.628 177.287 176.600 0.097 0.000 1.003 340 K CA 0.289 56.653 56.287 0.128 0.000 0.957 340 K CB 0.931 33.507 32.500 0.127 0.000 0.939 340 K HN 0.564 nan 8.250 nan 0.000 0.482 341 R N -0.239 120.290 120.500 0.048 0.000 2.912 341 R HA 0.302 4.670 4.340 0.045 0.000 0.262 341 R C -0.002 176.285 176.300 -0.021 0.000 1.057 341 R CA -0.678 55.423 56.100 0.003 0.000 0.981 341 R CB 1.459 31.764 30.300 0.008 0.000 1.201 341 R HN 0.549 nan 8.270 nan 0.000 0.484 342 T N -0.686 113.836 114.554 -0.054 0.000 2.881 342 T HA 0.395 4.772 4.350 0.045 0.000 0.278 342 T C 1.254 175.923 174.700 -0.052 0.000 0.982 342 T CA 0.163 62.224 62.100 -0.065 0.000 0.989 342 T CB 1.332 70.144 68.868 -0.093 0.000 1.058 342 T HN 0.591 nan 8.240 nan 0.000 0.529 343 A N 2.988 125.767 122.820 -0.068 0.000 1.851 343 A HA 0.067 4.415 4.320 0.045 0.000 0.216 343 A C -0.449 177.117 177.584 -0.029 0.000 1.195 343 A CA 1.626 53.634 52.037 -0.048 0.000 0.622 343 A CB -1.989 16.958 19.000 -0.089 0.000 0.831 343 A HN 0.730 nan 8.150 nan 0.000 0.444 344 P HA -0.203 nan 4.420 nan 0.000 0.215 344 P C 1.759 179.046 177.300 -0.020 0.000 1.163 344 P CA 2.302 65.380 63.100 -0.037 0.000 0.894 344 P CB -0.179 31.482 31.700 -0.064 0.000 0.791 345 A N -0.464 122.330 122.820 -0.042 0.000 1.972 345 A HA -0.118 4.229 4.320 0.045 0.000 0.219 345 A C 2.292 179.872 177.584 -0.008 0.000 1.169 345 A CA 2.037 54.050 52.037 -0.041 0.000 0.635 345 A CB -1.608 17.342 19.000 -0.083 0.000 0.810 345 A HN 0.196 nan 8.150 nan 0.000 0.446 346 A N 0.122 122.943 122.820 0.001 0.000 1.865 346 A HA -0.100 4.247 4.320 0.045 0.000 0.217 346 A C 2.171 179.785 177.584 0.051 0.000 1.191 346 A CA 1.728 53.781 52.037 0.026 0.000 0.623 346 A CB -0.726 18.290 19.000 0.027 0.000 0.826 346 A HN 0.501 nan 8.150 nan 0.000 0.444 347 L N -1.164 120.097 121.223 0.063 0.000 2.005 347 L HA -0.195 4.172 4.340 0.045 0.000 0.207 347 L C 2.783 179.706 176.870 0.088 0.000 1.072 347 L CA 1.701 56.597 54.840 0.094 0.000 0.744 347 L CB -0.902 41.222 42.059 0.109 0.000 0.895 347 L HN 0.529 nan 8.230 nan 0.000 0.433 348 Q N 1.243 121.079 119.800 0.059 0.000 2.047 348 Q HA -0.259 4.108 4.340 0.045 0.000 0.211 348 Q C 2.075 178.109 176.000 0.055 0.000 1.005 348 Q CA 2.308 58.141 55.803 0.049 0.000 0.866 348 Q CB -0.546 28.205 28.738 0.021 0.000 0.938 348 Q HN 0.496 nan 8.270 nan 0.000 0.414 349 I N 0.355 120.951 120.570 0.043 0.000 2.264 349 I HA -0.297 3.900 4.170 0.045 0.000 0.248 349 I C 2.367 178.520 176.117 0.059 0.000 1.111 349 I CA 0.975 62.302 61.300 0.045 0.000 1.382 349 I CB -0.680 37.343 38.000 0.038 0.000 1.060 349 I HN 0.409 nan 8.210 nan 0.000 0.418 350 A N 0.000 122.864 122.820 0.073 0.000 1.908 350 A HA -0.252 4.095 4.320 0.045 0.000 0.218 350 A C 2.461 180.120 177.584 0.125 0.000 1.181 350 A CA 2.019 54.108 52.037 0.086 0.000 0.627 350 A CB -1.208 17.859 19.000 0.111 0.000 0.818 350 A HN 0.548 nan 8.150 nan 0.000 0.445 351 C N -0.752 118.650 119.300 0.169 0.000 2.453 351 C HA -0.057 4.430 4.460 0.045 0.000 0.277 351 C C 2.430 177.509 174.990 0.149 0.000 1.262 351 C CA 0.932 60.089 59.018 0.232 0.000 1.718 351 C CB -1.129 26.720 27.740 0.183 0.000 2.031 351 C HN 0.615 nan 8.230 nan 0.000 0.480 352 D N 1.081 121.538 120.400 0.095 0.000 2.088 352 D HA -0.116 4.551 4.640 0.045 0.000 0.191 352 D C 1.984 178.314 176.300 0.050 0.000 0.992 352 D CA 1.177 55.216 54.000 0.065 0.000 0.831 352 D CB -0.728 40.102 40.800 0.049 0.000 0.973 352 D HN 0.372 nan 8.370 nan 0.000 0.447 353 L N 0.379 121.626 121.223 0.039 0.000 2.197 353 L HA -0.198 4.169 4.340 0.045 0.000 0.215 353 L C 2.451 179.322 176.870 0.001 0.000 1.095 353 L CA 0.550 55.400 54.840 0.017 0.000 0.764 353 L CB -0.242 41.824 42.059 0.012 0.000 0.897 353 L HN -0.034 nan 8.230 nan 0.000 0.436 354 V N -0.842 119.078 119.914 0.010 0.000 2.379 354 V HA -0.193 3.954 4.120 0.045 0.000 0.243 354 V C 2.021 178.129 176.094 0.023 0.000 1.035 354 V CA 1.666 63.955 62.300 -0.018 0.000 1.035 354 V CB -0.281 31.517 31.823 -0.042 0.000 0.673 354 V HN 0.398 nan 8.190 nan 0.000 0.457 355 D N 0.216 120.655 120.400 0.066 0.000 2.117 355 D HA -0.153 4.514 4.640 0.045 0.000 0.198 355 D C 1.928 178.249 176.300 0.035 0.000 0.982 355 D CA 1.093 55.131 54.000 0.064 0.000 0.828 355 D CB -0.208 40.636 40.800 0.074 0.000 0.967 355 D HN 0.537 nan 8.370 nan 0.000 0.464 356 E N 0.029 120.245 120.200 0.027 0.000 2.533 356 E HA 0.094 4.471 4.350 0.045 0.000 0.201 356 E C 1.334 177.936 176.600 0.004 0.000 1.097 356 E CA 0.345 56.754 56.400 0.015 0.000 0.887 356 E CB -0.077 29.631 29.700 0.014 0.000 0.855 356 E HN 0.322 nan 8.360 nan 0.000 0.540 357 G N 1.305 110.105 108.800 -0.000 0.000 2.220 357 G HA2 -0.436 3.551 3.960 0.045 0.000 0.269 357 G HA3 -0.436 3.551 3.960 0.045 0.000 0.269 357 G C 0.919 175.804 174.900 -0.024 0.000 0.977 357 G CA 0.731 45.823 45.100 -0.013 0.000 0.634 357 G HN 0.374 nan 8.290 nan 0.000 0.539 358 M N 0.247 119.835 119.600 -0.020 0.000 2.267 358 M HA 0.176 4.683 4.480 0.045 0.000 0.263 358 M C 1.376 177.652 176.300 -0.041 0.000 1.063 358 M CA 2.195 57.480 55.300 -0.026 0.000 1.090 358 M CB -0.123 32.469 32.600 -0.013 0.000 1.392 358 M HN 0.681 nan 8.290 nan 0.000 0.422 359 I N -4.899 115.639 120.570 -0.053 0.000 3.195 359 I HA 0.476 4.674 4.170 0.045 0.000 0.313 359 I C -0.229 175.820 176.117 -0.114 0.000 1.237 359 I CA -1.095 60.157 61.300 -0.080 0.000 0.963 359 I CB 1.878 39.830 38.000 -0.080 0.000 1.278 359 I HN -0.133 nan 8.210 nan 0.000 0.460 360 T N -1.388 113.081 114.554 -0.141 0.000 2.902 360 T HA 0.422 4.799 4.350 0.045 0.000 0.280 360 T C 0.585 175.109 174.700 -0.292 0.000 0.992 360 T CA -0.227 61.763 62.100 -0.183 0.000 1.015 360 T CB 1.638 70.416 68.868 -0.150 0.000 1.044 360 T HN 0.790 nan 8.240 nan 0.000 0.520 361 E N 0.518 120.474 120.200 -0.406 0.000 2.110 361 E HA -0.118 4.259 4.350 0.045 0.000 0.193 361 E C 1.968 178.296 176.600 -0.455 0.000 0.988 361 E CA 1.243 57.251 56.400 -0.652 0.000 0.804 361 E CB -0.120 29.003 29.700 -0.961 0.000 0.745 361 E HN 0.761 nan 8.360 nan 0.000 0.458 362 E N 1.176 121.089 120.200 -0.478 0.000 2.085 362 E HA -0.209 4.169 4.350 0.045 0.000 0.194 362 E C 1.804 178.174 176.600 -0.384 0.000 0.994 362 E CA 1.260 57.253 56.400 -0.678 0.000 0.801 362 E CB -0.079 29.271 29.700 -0.583 0.000 0.743 362 E HN 0.326 nan 8.360 nan 0.000 0.453 363 E N 0.425 120.459 120.200 -0.278 0.000 2.021 363 E HA -0.275 4.102 4.350 0.045 0.000 0.200 363 E C 2.195 178.708 176.600 -0.145 0.000 1.015 363 E CA 1.276 57.566 56.400 -0.184 0.000 0.824 363 E CB -0.365 29.243 29.700 -0.153 0.000 0.762 363 E HN 0.305 nan 8.360 nan 0.000 0.454 364 A N 1.264 123.992 122.820 -0.153 0.000 1.908 364 A HA -0.172 4.176 4.320 0.045 0.000 0.218 364 A C 2.591 180.164 177.584 -0.018 0.000 1.181 364 A CA 1.571 53.565 52.037 -0.073 0.000 0.627 364 A CB -0.843 18.110 19.000 -0.078 0.000 0.818 364 A HN 0.132 nan 8.150 nan 0.000 0.445 365 V N -0.455 119.434 119.914 -0.042 0.000 2.343 365 V HA -0.233 3.915 4.120 0.045 0.000 0.247 365 V C 2.517 178.603 176.094 -0.012 0.000 1.051 365 V CA 2.055 64.376 62.300 0.034 0.000 1.036 365 V CB -0.698 31.145 31.823 0.035 0.000 0.654 365 V HN 0.385 nan 8.190 nan 0.000 0.451 366 V N -0.294 119.571 119.914 -0.083 0.000 2.667 366 V HA -0.164 3.984 4.120 0.045 0.000 0.252 366 V C 2.509 178.586 176.094 -0.028 0.000 1.065 366 V CA 1.594 63.853 62.300 -0.068 0.000 1.083 366 V CB -0.782 30.976 31.823 -0.109 0.000 0.692 366 V HN 0.484 nan 8.190 nan 0.000 0.468 367 R N -0.389 120.098 120.500 -0.022 0.000 2.073 367 R HA 0.009 4.376 4.340 0.045 0.000 0.229 367 R C 0.547 176.861 176.300 0.023 0.000 1.120 367 R CA 0.516 56.616 56.100 0.000 0.000 0.967 367 R CB -0.259 30.040 30.300 -0.001 0.000 0.862 367 R HN 0.316 nan 8.270 nan 0.000 0.436 368 I N 2.538 123.129 120.570 0.036 0.000 2.752 368 I HA -0.113 4.084 4.170 0.045 0.000 0.289 368 I C 0.288 176.432 176.117 0.046 0.000 1.197 368 I CA 0.786 62.116 61.300 0.050 0.000 1.432 368 I CB 0.243 38.286 38.000 0.072 0.000 1.359 368 I HN 0.017 nan 8.210 nan 0.000 0.571 369 E N 5.716 125.942 120.200 0.044 0.000 2.070 369 E HA 0.247 4.624 4.350 0.045 0.000 0.282 369 E C 1.004 177.631 176.600 0.045 0.000 1.104 369 E CA -0.019 56.406 56.400 0.041 0.000 0.876 369 E CB 0.763 30.485 29.700 0.037 0.000 1.055 369 E HN 0.762 nan 8.360 nan 0.000 0.401 370 A N 5.183 128.033 122.820 0.050 0.000 1.859 370 A HA -0.308 4.039 4.320 0.045 0.000 0.218 370 A C 1.981 179.598 177.584 0.055 0.000 1.242 370 A CA 1.531 53.604 52.037 0.059 0.000 0.661 370 A CB -0.316 18.720 19.000 0.059 0.000 0.842 370 A HN 0.560 nan 8.150 nan 0.000 0.455 371 K N -0.024 120.403 120.400 0.044 0.000 2.227 371 K HA -0.250 4.097 4.320 0.045 0.000 0.208 371 K C 2.339 178.958 176.600 0.031 0.000 1.045 371 K CA 1.950 58.259 56.287 0.038 0.000 0.931 371 K CB -0.510 32.004 32.500 0.024 0.000 0.721 371 K HN 0.782 nan 8.250 nan 0.000 0.469 372 S N 0.699 116.413 115.700 0.022 0.000 2.419 372 S HA -0.091 4.406 4.470 0.045 0.000 0.233 372 S C 1.986 176.572 174.600 -0.024 0.000 1.016 372 S CA 0.719 58.918 58.200 -0.003 0.000 0.974 372 S CB -0.511 62.687 63.200 -0.003 0.000 0.786 372 S HN 0.317 nan 8.310 nan 0.000 0.492 373 L N 2.715 123.946 121.223 0.014 0.000 2.450 373 L HA -0.146 4.222 4.340 0.045 0.000 0.225 373 L C 2.462 179.298 176.870 -0.057 0.000 1.145 373 L CA 1.508 56.352 54.840 0.007 0.000 0.801 373 L CB -1.120 41.000 42.059 0.102 0.000 0.924 373 L HN 0.577 nan 8.230 nan 0.000 0.447 374 D N -0.137 120.243 120.400 -0.033 0.000 2.178 374 D HA -0.244 4.423 4.640 0.045 0.000 0.201 374 D C 1.760 177.960 176.300 -0.167 0.000 0.980 374 D CA 0.987 54.983 54.000 -0.005 0.000 0.842 374 D CB -0.161 40.693 40.800 0.089 0.000 0.948 374 D HN 0.471 nan 8.370 nan 0.000 0.472 375 Q N 0.482 120.041 119.800 -0.403 0.000 2.030 375 Q HA -0.079 4.288 4.340 0.045 0.000 0.204 375 Q C 2.735 178.371 176.000 -0.605 0.000 0.986 375 Q CA 0.979 56.232 55.803 -0.916 0.000 0.843 375 Q CB -0.239 28.203 28.738 -0.494 0.000 0.904 375 Q HN 0.318 nan 8.270 nan 0.000 0.420 376 L N 0.220 121.232 121.223 -0.352 0.000 2.171 376 L HA -0.258 4.109 4.340 0.045 0.000 0.216 376 L C 1.906 178.573 176.870 -0.337 0.000 1.084 376 L CA 1.125 55.775 54.840 -0.317 0.000 0.771 376 L CB -0.356 41.500 42.059 -0.339 0.000 0.890 376 L HN 0.280 nan 8.230 nan 0.000 0.437 377 L N -2.271 118.764 121.223 -0.313 0.000 2.640 377 L HA 0.108 4.476 4.340 0.045 0.000 0.230 377 L C 0.575 177.327 176.870 -0.196 0.000 1.123 377 L CA -0.396 54.243 54.840 -0.335 0.000 0.900 377 L CB -0.270 41.522 42.059 -0.446 0.000 1.146 377 L HN 0.211 nan 8.230 nan 0.000 0.484 378 H N 2.760 121.688 119.070 -0.237 0.000 2.964 378 H HA 0.051 4.634 4.556 0.046 0.000 0.328 378 H C -1.799 173.403 175.328 -0.211 0.000 1.030 378 H CA -1.904 54.025 56.048 -0.198 0.000 1.445 378 H CB 0.280 29.939 29.762 -0.172 0.000 1.449 378 H HN -0.011 nan 8.280 nan 0.000 0.581 379 P HA -0.069 nan 4.420 nan 0.000 0.260 379 P C 0.196 177.417 177.300 -0.131 0.000 1.207 379 P CA -0.131 62.907 63.100 -0.103 0.000 0.780 379 P CB 0.371 32.027 31.700 -0.073 0.000 0.789 380 T N 1.604 116.084 114.554 -0.124 0.000 2.701 380 T HA 0.213 4.591 4.350 0.045 0.000 0.303 380 T C 0.570 175.222 174.700 -0.080 0.000 1.030 380 T CA -0.348 61.663 62.100 -0.149 0.000 1.010 380 T CB 0.144 68.960 68.868 -0.087 0.000 1.007 380 T HN 0.040 nan 8.240 nan 0.000 0.532 381 F N 1.036 120.965 119.950 -0.035 0.000 2.399 381 F HA 0.386 4.941 4.527 0.045 0.000 0.313 381 F C 1.034 176.816 175.800 -0.030 0.000 1.202 381 F CA -1.175 56.805 58.000 -0.034 0.000 1.192 381 F CB 0.156 39.134 39.000 -0.036 0.000 1.256 381 F HN 0.637 nan 8.300 nan 0.000 0.558 382 N N 2.606 121.434 118.700 0.215 0.000 2.437 382 N HA 0.280 5.047 4.740 0.045 0.000 0.259 382 N C -1.801 173.738 175.510 0.048 0.000 0.983 382 N CA -2.036 51.066 53.050 0.088 0.000 0.937 382 N CB 1.299 39.817 38.487 0.051 0.000 1.122 382 N HN 0.051 nan 8.380 nan 0.000 0.499 383 P HA -0.326 nan 4.420 nan 0.000 0.218 383 P C 0.800 178.095 177.300 -0.008 0.000 1.165 383 P CA 1.934 65.046 63.100 0.019 0.000 0.922 383 P CB 0.019 31.729 31.700 0.017 0.000 0.794 384 A N 0.329 123.144 122.820 -0.008 0.000 1.940 384 A HA -0.116 4.232 4.320 0.045 0.000 0.219 384 A C 2.546 180.107 177.584 -0.038 0.000 1.176 384 A CA 2.570 54.596 52.037 -0.018 0.000 0.631 384 A CB -1.544 17.449 19.000 -0.011 0.000 0.814 384 A HN 0.315 nan 8.150 nan 0.000 0.446 385 A N -1.337 121.453 122.820 -0.049 0.000 2.014 385 A HA 0.132 4.479 4.320 0.045 0.000 0.218 385 A C 2.019 179.510 177.584 -0.155 0.000 1.163 385 A CA 1.485 53.467 52.037 -0.092 0.000 0.652 385 A CB -0.339 18.606 19.000 -0.091 0.000 0.808 385 A HN 0.507 nan 8.150 nan 0.000 0.449 386 L N -0.602 120.535 121.223 -0.144 0.000 2.307 386 L HA 0.107 4.474 4.340 0.045 0.000 0.211 386 L C 2.196 179.007 176.870 -0.098 0.000 1.099 386 L CA 1.793 56.530 54.840 -0.172 0.000 0.816 386 L CB -0.278 41.713 42.059 -0.113 0.000 0.952 386 L HN 0.438 nan 8.230 nan 0.000 0.455 387 K N -0.377 119.986 120.400 -0.061 0.000 2.057 387 K HA -0.093 4.255 4.320 0.045 0.000 0.206 387 K C 1.761 178.336 176.600 -0.043 0.000 1.050 387 K CA 1.332 57.596 56.287 -0.039 0.000 0.935 387 K CB -0.125 32.361 32.500 -0.024 0.000 0.715 387 K HN 0.312 nan 8.250 nan 0.000 0.439 388 A N 0.952 123.741 122.820 -0.052 0.000 2.208 388 A HA 0.192 4.539 4.320 0.045 0.000 0.209 388 A C 0.989 178.535 177.584 -0.064 0.000 1.161 388 A CA 0.400 52.408 52.037 -0.048 0.000 0.782 388 A CB -0.427 18.547 19.000 -0.044 0.000 0.816 388 A HN 0.410 nan 8.150 nan 0.000 0.477 389 G N 0.093 108.837 108.800 -0.094 0.000 2.380 389 G HA2 0.305 4.292 3.960 0.045 0.000 0.242 389 G HA3 0.305 4.292 3.960 0.045 0.000 0.242 389 G C -0.128 174.724 174.900 -0.080 0.000 1.298 389 G CA -0.237 44.790 45.100 -0.122 0.000 0.878 389 G HN 0.466 nan 8.290 nan 0.000 0.542 390 E N 2.098 122.254 120.200 -0.074 0.000 1.936 390 E HA 0.247 4.624 4.350 0.045 0.000 0.267 390 E C -0.202 176.389 176.600 -0.014 0.000 1.076 390 E CA -0.595 55.784 56.400 -0.035 0.000 0.870 390 E CB 0.532 30.207 29.700 -0.041 0.000 1.093 390 E HN 0.166 nan 8.360 nan 0.000 0.411 391 V N 7.118 127.034 119.914 0.003 0.000 2.403 391 V HA -0.014 4.133 4.120 0.045 0.000 0.265 391 V C 0.779 176.929 176.094 0.093 0.000 1.034 391 V CA 0.145 62.466 62.300 0.034 0.000 1.036 391 V CB -0.319 31.521 31.823 0.029 0.000 1.032 391 V HN 0.593 nan 8.190 nan 0.000 0.478 392 I N 2.024 122.689 120.570 0.159 0.000 3.850 392 I HA 0.795 4.993 4.170 0.045 0.000 0.333 392 I C 0.730 176.978 176.117 0.218 0.000 1.511 392 I CA -0.054 61.375 61.300 0.215 0.000 1.199 392 I CB 0.053 38.240 38.000 0.313 0.000 1.217 392 I HN 0.545 nan 8.210 nan 0.000 0.423 393 G N -0.601 108.302 108.800 0.172 0.000 2.352 393 G HA2 0.389 4.376 3.960 0.045 0.000 0.303 393 G HA3 0.389 4.376 3.960 0.045 0.000 0.303 393 G C -1.631 173.346 174.900 0.130 0.000 1.593 393 G CA -0.295 44.898 45.100 0.155 0.000 0.963 393 G HN 0.264 nan 8.290 nan 0.000 0.685 394 S N -0.851 114.912 115.700 0.104 0.000 2.599 394 S HA 1.075 5.572 4.470 0.045 0.000 0.287 394 S C 0.008 174.655 174.600 0.079 0.000 1.105 394 S CA 0.809 59.061 58.200 0.086 0.000 0.899 394 S CB 1.710 64.951 63.200 0.069 0.000 1.100 394 S HN 2.499 nan 8.310 nan 0.000 0.482 395 A N 1.555 124.418 122.820 0.071 0.000 2.511 395 A HA 0.626 4.974 4.320 0.045 0.000 0.293 395 A C -1.305 176.314 177.584 0.058 0.000 1.098 395 A CA -0.813 51.262 52.037 0.062 0.000 0.643 395 A CB 0.187 19.225 19.000 0.064 0.000 1.302 395 A HN 1.322 nan 8.150 nan 0.000 0.446 396 L N 1.602 122.857 121.223 0.053 0.000 2.543 396 L HA 0.377 4.744 4.340 0.045 0.000 0.285 396 L C -1.908 174.997 176.870 0.059 0.000 1.236 396 L CA -0.398 54.475 54.840 0.055 0.000 0.871 396 L CB 0.227 42.317 42.059 0.052 0.000 1.121 396 L HN 0.431 nan 8.230 nan 0.000 0.501 397 P HA 0.174 nan 4.420 nan 0.000 0.214 397 P C 0.110 177.444 177.300 0.058 0.000 1.849 397 P CA -0.062 63.071 63.100 0.055 0.000 1.022 397 P CB 0.694 32.427 31.700 0.054 0.000 1.912 398 A N 3.238 126.091 122.820 0.055 0.000 1.849 398 A HA -0.120 4.227 4.320 0.045 0.000 0.216 398 A C 1.119 178.711 177.584 0.015 0.000 1.225 398 A CA 1.754 53.822 52.037 0.052 0.000 0.653 398 A CB -1.221 17.805 19.000 0.045 0.000 0.844 398 A HN 0.521 nan 8.150 nan 0.000 0.453 399 S N -0.255 115.444 115.700 -0.001 0.000 2.454 399 S HA 0.627 5.124 4.470 0.045 0.000 0.306 399 S C -2.713 171.867 174.600 -0.033 0.000 1.100 399 S CA -1.720 56.463 58.200 -0.027 0.000 1.087 399 S CB 1.763 64.950 63.200 -0.022 0.000 1.019 399 S HN 0.172 nan 8.310 nan 0.000 0.480 400 P HA 0.341 nan 4.420 nan 0.000 0.279 400 P C 0.684 177.939 177.300 -0.075 0.000 1.278 400 P CA 0.929 63.992 63.100 -0.063 0.000 0.846 400 P CB -0.209 31.442 31.700 -0.082 0.000 1.218 401 G N -2.314 106.425 108.800 -0.102 0.000 2.705 401 G HA2 0.184 4.171 3.960 0.045 0.000 0.686 401 G HA3 0.184 4.171 3.960 0.045 0.000 0.686 401 G C -0.575 174.184 174.900 -0.236 0.000 1.285 401 G CA -0.397 44.615 45.100 -0.147 0.000 0.800 401 G HN 0.555 nan 8.290 nan 0.000 0.611 402 A N 1.167 123.723 122.820 -0.441 0.000 2.736 402 A HA 0.905 5.252 4.320 0.045 0.000 0.335 402 A C 0.843 177.952 177.584 -0.793 0.000 1.446 402 A CA 1.066 52.497 52.037 -1.011 0.000 1.028 402 A CB -0.047 17.892 19.000 -1.769 0.000 1.154 402 A HN 2.463 nan 8.150 nan 0.000 0.507 403 A N 1.637 124.236 122.820 -0.368 0.000 2.279 403 A HA 0.924 5.271 4.320 0.045 0.000 0.303 403 A C 0.230 177.819 177.584 0.008 0.000 1.108 403 A CA 0.065 52.009 52.037 -0.155 0.000 0.830 403 A CB 0.921 19.876 19.000 -0.076 0.000 1.106 403 A HN 2.394 nan 8.150 nan 0.000 0.493 404 A N -0.010 122.832 122.820 0.037 0.000 2.572 404 A HA 0.712 5.059 4.320 0.045 0.000 0.303 404 A C -0.270 177.351 177.584 0.062 0.000 1.059 404 A CA 0.296 52.393 52.037 0.101 0.000 0.788 404 A CB 0.450 19.587 19.000 0.228 0.000 1.282 404 A HN 2.655 nan 8.150 nan 0.000 0.397 405 G N 0.822 109.667 108.800 0.075 0.000 2.340 405 G HA2 0.496 4.483 3.960 0.045 0.000 0.299 405 G HA3 0.496 4.483 3.960 0.045 0.000 0.299 405 G C -1.368 173.606 174.900 0.123 0.000 1.291 405 G CA -0.906 44.238 45.100 0.075 0.000 0.841 405 G HN 0.722 nan 8.290 nan 0.000 0.500 406 K N -0.033 120.450 120.400 0.139 0.000 2.382 406 K HA 0.416 4.764 4.320 0.045 0.000 0.275 406 K C 0.545 177.302 176.600 0.262 0.000 1.009 406 K CA -0.228 56.192 56.287 0.222 0.000 0.970 406 K CB 1.548 34.241 32.500 0.322 0.000 0.934 406 K HN 0.682 nan 8.250 nan 0.000 0.479 407 V N 0.427 120.432 119.914 0.151 0.000 2.567 407 V HA 0.435 4.582 4.120 0.045 0.000 0.289 407 V C -1.050 174.902 176.094 -0.237 0.000 1.049 407 V CA -0.637 61.636 62.300 -0.045 0.000 0.969 407 V CB 0.288 31.963 31.823 -0.245 0.000 0.995 407 V HN 0.530 nan 8.190 nan 0.000 0.471 408 Y N 3.105 123.102 120.300 -0.506 0.000 2.396 408 Y HA 0.591 5.168 4.550 0.046 0.000 0.332 408 Y C 0.033 175.641 175.900 -0.487 0.000 1.034 408 Y CA -1.481 56.366 58.100 -0.421 0.000 1.057 408 Y CB 1.873 40.251 38.460 -0.136 0.000 1.220 408 Y HN 0.598 nan 8.280 nan 0.000 0.440 409 F N 0.066 120.049 119.950 0.055 0.000 2.811 409 F HA 0.162 4.716 4.527 0.045 0.000 0.301 409 F C 0.951 176.772 175.800 0.034 0.000 1.151 409 F CA 0.103 58.110 58.000 0.013 0.000 1.412 409 F CB -0.088 38.909 39.000 -0.005 0.000 1.113 409 F HN 0.337 nan 8.300 nan 0.000 0.579 410 T N -3.428 111.247 114.554 0.201 0.000 2.923 410 T HA 0.677 5.054 4.350 0.045 0.000 0.311 410 T C 0.604 175.372 174.700 0.113 0.000 1.183 410 T CA -0.366 61.819 62.100 0.142 0.000 1.020 410 T CB 1.736 70.689 68.868 0.141 0.000 1.165 410 T HN -0.077 nan 8.240 nan 0.000 0.482 411 A N 1.761 124.624 122.820 0.071 0.000 1.969 411 A HA 0.038 4.386 4.320 0.045 0.000 0.218 411 A C 1.874 179.487 177.584 0.048 0.000 1.169 411 A CA 1.532 53.598 52.037 0.049 0.000 0.635 411 A CB -0.796 18.230 19.000 0.042 0.000 0.810 411 A HN 0.933 nan 8.150 nan 0.000 0.445 412 D N 0.232 120.668 120.400 0.060 0.000 2.123 412 D HA -0.198 4.470 4.640 0.045 0.000 0.196 412 D C 1.963 178.306 176.300 0.071 0.000 0.992 412 D CA 1.796 55.831 54.000 0.057 0.000 0.833 412 D CB -0.271 40.564 40.800 0.058 0.000 0.954 412 D HN 0.901 nan 8.370 nan 0.000 0.455 413 E N 0.763 121.036 120.200 0.122 0.000 2.250 413 E HA 0.102 4.479 4.350 0.045 0.000 0.192 413 E C 2.018 178.694 176.600 0.126 0.000 0.986 413 E CA 0.519 57.032 56.400 0.190 0.000 0.849 413 E CB -0.019 29.859 29.700 0.297 0.000 0.797 413 E HN 0.091 nan 8.360 nan 0.000 0.482 414 A N 2.253 125.084 122.820 0.018 0.000 1.969 414 A HA -0.146 4.201 4.320 0.045 0.000 0.218 414 A C 2.197 179.582 177.584 -0.333 0.000 1.169 414 A CA 1.534 53.329 52.037 -0.404 0.000 0.635 414 A CB -0.427 18.470 19.000 -0.173 0.000 0.810 414 A HN 0.211 nan 8.150 nan 0.000 0.445 415 K N -0.314 120.011 120.400 -0.125 0.000 2.243 415 K HA 0.115 4.462 4.320 0.045 0.000 0.201 415 K C 2.047 178.619 176.600 -0.048 0.000 1.051 415 K CA 0.900 57.144 56.287 -0.071 0.000 0.970 415 K CB -0.272 32.222 32.500 -0.011 0.000 0.755 415 K HN 0.306 nan 8.250 nan 0.000 0.465 416 A N 1.435 124.236 122.820 -0.032 0.000 1.908 416 A HA -0.069 4.278 4.320 0.045 0.000 0.218 416 A C 1.705 179.297 177.584 0.013 0.000 1.181 416 A CA 1.671 53.718 52.037 0.018 0.000 0.627 416 A CB -0.651 18.385 19.000 0.060 0.000 0.818 416 A HN 0.391 nan 8.150 nan 0.000 0.445 417 A N 0.320 123.072 122.820 -0.113 0.000 3.077 417 A HA 0.461 4.808 4.320 0.045 0.000 0.255 417 A C 0.051 177.539 177.584 -0.161 0.000 1.728 417 A CA -0.089 51.827 52.037 -0.203 0.000 1.383 417 A CB -1.366 17.430 19.000 -0.340 0.000 1.097 417 A HN 0.711 nan 8.150 nan 0.000 0.634 418 H N -1.278 117.738 119.070 -0.090 0.000 4.217 418 H HA -0.156 4.429 4.556 0.048 0.000 0.252 418 H C 0.509 175.775 175.328 -0.103 0.000 0.576 418 H CA 0.348 56.347 56.048 -0.081 0.000 0.700 418 H CB 0.054 29.776 29.762 -0.068 0.000 1.103 418 H HN 0.742 nan 8.280 nan 0.000 0.295 419 E N 1.592 121.817 120.200 0.042 0.000 4.428 419 E HA -0.036 4.341 4.350 0.045 0.000 0.575 419 E C 0.663 177.229 176.600 -0.056 0.000 0.701 419 E CA -0.118 56.267 56.400 -0.025 0.000 3.828 419 E CB 0.089 29.769 29.700 -0.034 0.000 2.242 419 E HN 0.452 nan 8.360 nan 0.000 0.355 420 K N 0.800 121.142 120.400 -0.095 0.000 3.077 420 K HA 0.042 4.389 4.320 0.045 0.000 0.269 420 K C 0.867 177.422 176.600 -0.074 0.000 0.973 420 K CA 0.164 56.383 56.287 -0.114 0.000 1.162 420 K CB 0.039 32.437 32.500 -0.170 0.000 1.079 420 K HN 0.395 nan 8.250 nan 0.000 0.456 421 G N 0.620 109.406 108.800 -0.023 0.000 2.768 421 G HA2 -0.098 3.890 3.960 0.045 0.000 0.201 421 G HA3 -0.098 3.890 3.960 0.045 0.000 0.201 421 G C 1.007 175.944 174.900 0.062 0.000 1.089 421 G CA -0.144 44.968 45.100 0.021 0.000 0.787 421 G HN 0.239 nan 8.290 nan 0.000 0.547 422 E N 0.700 120.928 120.200 0.047 0.000 2.437 422 E HA 0.109 4.486 4.350 0.045 0.000 0.189 422 E C -0.054 176.515 176.600 -0.053 0.000 1.054 422 E CA -0.422 55.951 56.400 -0.044 0.000 0.874 422 E CB -0.053 29.495 29.700 -0.253 0.000 1.011 422 E HN 0.215 nan 8.360 nan 0.000 0.474 423 R N 0.017 120.491 120.500 -0.042 0.000 2.877 423 R HA -0.152 4.215 4.340 0.045 0.000 0.275 423 R C -0.789 175.486 176.300 -0.042 0.000 0.924 423 R CA 0.207 56.284 56.100 -0.038 0.000 0.715 423 R CB -1.573 28.723 30.300 -0.007 0.000 1.761 423 R HN -0.049 nan 8.270 nan 0.000 0.498 424 V N 3.574 123.434 119.914 -0.091 0.000 2.834 424 V HA 0.602 4.749 4.120 0.045 0.000 0.313 424 V C 0.648 176.704 176.094 -0.064 0.000 1.060 424 V CA -0.747 61.479 62.300 -0.123 0.000 0.989 424 V CB 2.041 33.682 31.823 -0.304 0.000 1.041 424 V HN 0.252 nan 8.190 nan 0.000 0.459 425 I N 3.117 123.679 120.570 -0.013 0.000 2.619 425 I HA 0.448 4.645 4.170 0.045 0.000 0.292 425 I C -0.900 175.199 176.117 -0.031 0.000 1.100 425 I CA -0.678 60.618 61.300 -0.007 0.000 1.043 425 I CB 1.807 39.831 38.000 0.040 0.000 1.239 425 I HN 0.461 nan 8.210 nan 0.000 0.420 426 L N 7.487 128.672 121.223 -0.063 0.000 2.294 426 L HA 0.585 4.953 4.340 0.045 0.000 0.283 426 L C -0.950 175.832 176.870 -0.148 0.000 1.015 426 L CA -0.356 54.434 54.840 -0.084 0.000 0.831 426 L CB 1.401 43.438 42.059 -0.037 0.000 1.217 426 L HN 0.277 nan 8.230 nan 0.000 0.420 427 V N 6.267 126.019 119.914 -0.270 0.000 2.370 427 V HA 0.709 4.856 4.120 0.045 0.000 0.283 427 V C 0.211 176.210 176.094 -0.159 0.000 1.023 427 V CA -0.606 61.493 62.300 -0.336 0.000 0.857 427 V CB 0.922 32.329 31.823 -0.693 0.000 0.985 427 V HN 0.766 nan 8.190 nan 0.000 0.443 428 R N 3.007 123.450 120.500 -0.095 0.000 2.947 428 R HA 0.570 4.938 4.340 0.045 0.000 0.253 428 R C -0.041 176.253 176.300 -0.010 0.000 1.208 428 R CA -0.819 55.273 56.100 -0.013 0.000 1.012 428 R CB 1.133 31.436 30.300 0.005 0.000 1.267 428 R HN 0.372 nan 8.270 nan 0.000 0.473 429 L N 0.669 121.901 121.223 0.015 0.000 1.995 429 L HA 0.052 4.420 4.340 0.045 0.000 0.206 429 L C 0.896 177.777 176.870 0.019 0.000 1.098 429 L CA 1.671 56.522 54.840 0.019 0.000 0.762 429 L CB -0.715 41.359 42.059 0.024 0.000 0.900 429 L HN 0.648 nan 8.230 nan 0.000 0.441 430 E N -1.616 118.596 120.200 0.021 0.000 2.428 430 E HA 0.632 5.010 4.350 0.045 0.000 0.259 430 E C -0.757 175.857 176.600 0.023 0.000 0.930 430 E CA -0.798 55.621 56.400 0.031 0.000 0.823 430 E CB 1.149 30.867 29.700 0.030 0.000 1.403 430 E HN 0.202 nan 8.360 nan 0.000 0.415 431 T N -2.020 112.558 114.554 0.041 0.000 2.883 431 T HA 0.791 5.168 4.350 0.045 0.000 0.284 431 T C -0.230 174.347 174.700 -0.204 0.000 1.041 431 T CA -0.542 61.572 62.100 0.024 0.000 1.007 431 T CB 1.334 70.309 68.868 0.178 0.000 1.220 431 T HN 0.778 nan 8.240 nan 0.000 0.552 432 S N -1.511 113.964 115.700 -0.375 0.000 2.615 432 S HA 0.491 4.989 4.470 0.045 0.000 0.268 432 S C -2.800 171.539 174.600 -0.436 0.000 1.146 432 S CA -1.147 56.545 58.200 -0.847 0.000 0.818 432 S CB 0.889 63.860 63.200 -0.382 0.000 1.111 432 S HN 0.403 nan 8.310 nan 0.000 0.465 433 P HA -0.098 nan 4.420 nan 0.000 0.220 433 P C 0.826 178.130 177.300 0.007 0.000 1.142 433 P CA 1.358 64.465 63.100 0.012 0.000 0.801 433 P CB 0.067 31.762 31.700 -0.010 0.000 0.764 434 E N -1.229 118.949 120.200 -0.037 0.000 2.478 434 E HA -0.055 4.322 4.350 0.045 0.000 0.194 434 E C 0.788 177.395 176.600 0.012 0.000 1.045 434 E CA 0.599 56.990 56.400 -0.014 0.000 0.868 434 E CB -0.508 29.172 29.700 -0.034 0.000 0.885 434 E HN 0.227 nan 8.360 nan 0.000 0.505 435 D N -0.439 119.981 120.400 0.033 0.000 2.398 435 D HA 0.031 4.698 4.640 0.045 0.000 0.210 435 D C 1.598 177.957 176.300 0.098 0.000 1.094 435 D CA -0.236 53.800 54.000 0.060 0.000 0.839 435 D CB 0.366 41.202 40.800 0.061 0.000 0.963 435 D HN 0.115 nan 8.370 nan 0.000 0.506 436 I N 1.764 122.406 120.570 0.119 0.000 2.143 436 I HA -0.305 3.892 4.170 0.045 0.000 0.245 436 I C 1.872 178.059 176.117 0.116 0.000 1.068 436 I CA 1.730 63.118 61.300 0.146 0.000 1.326 436 I CB -0.368 37.731 38.000 0.165 0.000 1.028 436 I HN 0.127 nan 8.210 nan 0.000 0.412 437 E N -0.505 119.735 120.200 0.067 0.000 2.285 437 E HA -0.077 4.301 4.350 0.045 0.000 0.194 437 E C 2.157 178.820 176.600 0.105 0.000 0.997 437 E CA 0.786 57.222 56.400 0.060 0.000 0.845 437 E CB -0.194 29.513 29.700 0.012 0.000 0.782 437 E HN 0.598 nan 8.360 nan 0.000 0.491 438 G N 1.095 109.939 108.800 0.074 0.000 2.396 438 G HA2 -0.183 3.804 3.960 0.045 0.000 0.214 438 G HA3 -0.183 3.804 3.960 0.045 0.000 0.214 438 G C 1.582 176.508 174.900 0.043 0.000 1.166 438 G CA 0.177 45.303 45.100 0.043 0.000 0.793 438 G HN 0.046 nan 8.290 nan 0.000 0.533 439 M N -0.028 119.617 119.600 0.076 0.000 2.117 439 M HA -0.061 4.447 4.480 0.045 0.000 0.262 439 M C 2.395 178.734 176.300 0.065 0.000 1.065 439 M CA 1.338 56.679 55.300 0.068 0.000 1.114 439 M CB -0.648 32.013 32.600 0.102 0.000 1.361 439 M HN 0.316 nan 8.290 nan 0.000 0.408 440 H N 0.460 119.532 119.070 0.004 0.000 2.387 440 H HA -0.063 4.519 4.556 0.044 0.000 0.299 440 H C 1.562 176.869 175.328 -0.035 0.000 1.099 440 H CA 1.856 57.895 56.048 -0.015 0.000 1.315 440 H CB 0.271 30.022 29.762 -0.019 0.000 1.380 440 H HN 0.361 nan 8.280 nan 0.000 0.513 441 A N 0.331 123.136 122.820 -0.025 0.000 2.307 441 A HA 0.509 4.857 4.320 0.045 0.000 0.218 441 A C 0.968 178.480 177.584 -0.119 0.000 1.228 441 A CA 0.360 52.337 52.037 -0.099 0.000 0.857 441 A CB -0.219 18.778 19.000 -0.006 0.000 0.897 441 A HN 0.464 nan 8.150 nan 0.000 0.495 442 A N -0.566 122.192 122.820 -0.103 0.000 2.320 442 A HA 0.601 4.948 4.320 0.045 0.000 0.334 442 A C 0.840 178.365 177.584 -0.098 0.000 1.147 442 A CA -0.448 51.530 52.037 -0.098 0.000 0.820 442 A CB 0.666 19.623 19.000 -0.071 0.000 1.218 442 A HN 0.184 nan 8.150 nan 0.000 0.482 443 E N 0.836 120.983 120.200 -0.088 0.000 2.051 443 E HA -0.010 4.367 4.350 0.045 0.000 0.192 443 E C 0.931 177.491 176.600 -0.066 0.000 0.991 443 E CA 1.549 57.896 56.400 -0.088 0.000 0.799 443 E CB -0.045 29.616 29.700 -0.065 0.000 0.748 443 E HN 0.784 nan 8.360 nan 0.000 0.449 444 G N 0.054 108.829 108.800 -0.042 0.000 2.718 444 G HA2 0.558 4.545 3.960 0.045 0.000 0.295 444 G HA3 0.558 4.545 3.960 0.045 0.000 0.295 444 G C -1.075 173.815 174.900 -0.016 0.000 1.421 444 G CA -0.769 44.316 45.100 -0.025 0.000 0.902 444 G HN -0.048 nan 8.290 nan 0.000 0.501 445 I N 1.714 122.279 120.570 -0.009 0.000 2.359 445 I HA 0.405 4.603 4.170 0.045 0.000 0.294 445 I C -0.450 175.661 176.117 -0.009 0.000 0.987 445 I CA -0.793 60.502 61.300 -0.009 0.000 1.225 445 I CB 1.850 39.856 38.000 0.010 0.000 1.366 445 I HN 0.102 nan 8.210 nan 0.000 0.466 446 L N 7.417 128.614 121.223 -0.043 0.000 2.342 446 L HA 0.537 4.904 4.340 0.045 0.000 0.276 446 L C -0.338 176.481 176.870 -0.085 0.000 0.997 446 L CA -0.086 54.718 54.840 -0.060 0.000 0.838 446 L CB 1.621 43.613 42.059 -0.113 0.000 1.224 446 L HN 0.745 nan 8.230 nan 0.000 0.416 447 T N 0.821 115.353 114.554 -0.037 0.000 2.950 447 T HA 0.510 4.887 4.350 0.045 0.000 0.288 447 T C 0.742 175.432 174.700 -0.017 0.000 1.035 447 T CA -0.710 61.376 62.100 -0.023 0.000 1.028 447 T CB 2.110 70.988 68.868 0.016 0.000 1.109 447 T HN 0.255 nan 8.240 nan 0.000 0.514 448 V N 0.901 120.812 119.914 -0.004 0.000 3.590 448 V HA 0.184 4.331 4.120 0.045 0.000 0.265 448 V C 1.998 178.110 176.094 0.031 0.000 1.239 448 V CA 0.964 63.272 62.300 0.013 0.000 1.117 448 V CB -1.043 30.791 31.823 0.018 0.000 0.818 448 V HN 0.998 nan 8.190 nan 0.000 0.451 449 R N 0.308 120.829 120.500 0.033 0.000 3.372 449 R HA 0.371 4.739 4.340 0.045 0.000 0.150 449 R C 1.495 177.820 176.300 0.042 0.000 0.739 449 R CA 0.441 56.565 56.100 0.041 0.000 1.041 449 R CB -0.511 29.816 30.300 0.045 0.000 1.530 449 R HN 0.194 nan 8.270 nan 0.000 0.534 450 G N 0.468 109.296 108.800 0.047 0.000 3.026 450 G HA2 0.259 4.246 3.960 0.045 0.000 0.232 450 G HA3 0.259 4.246 3.960 0.045 0.000 0.232 450 G C 0.084 175.013 174.900 0.049 0.000 1.241 450 G CA 0.263 45.395 45.100 0.053 0.000 0.858 450 G HN 0.538 nan 8.290 nan 0.000 0.592 451 G N -0.563 108.268 108.800 0.052 0.000 3.262 451 G HA2 0.419 4.406 3.960 0.045 0.000 0.229 451 G HA3 0.419 4.406 3.960 0.045 0.000 0.229 451 G C 1.138 176.077 174.900 0.064 0.000 1.280 451 G CA 0.260 45.387 45.100 0.046 0.000 0.951 451 G HN 0.692 nan 8.290 nan 0.000 0.589 452 M N 0.295 119.929 119.600 0.056 0.000 2.073 452 M HA -0.068 4.440 4.480 0.045 0.000 0.258 452 M C 2.075 178.463 176.300 0.147 0.000 1.070 452 M CA 2.687 58.045 55.300 0.096 0.000 1.103 452 M CB -0.958 31.653 32.600 0.018 0.000 1.321 452 M HN 0.472 nan 8.290 nan 0.000 0.405 453 A N 1.194 124.100 122.820 0.145 0.000 2.252 453 A HA 0.120 4.467 4.320 0.045 0.000 0.207 453 A C 1.009 178.671 177.584 0.129 0.000 1.194 453 A CA 0.590 52.727 52.037 0.167 0.000 0.809 453 A CB -0.959 18.126 19.000 0.142 0.000 0.814 453 A HN 0.730 nan 8.150 nan 0.000 0.482 454 S N -1.435 114.332 115.700 0.112 0.000 2.584 454 S HA 0.200 4.697 4.470 0.045 0.000 0.273 454 S C 1.027 175.705 174.600 0.131 0.000 1.311 454 S CA -0.115 58.154 58.200 0.116 0.000 1.034 454 S CB 0.448 63.706 63.200 0.096 0.000 0.939 454 S HN 0.484 nan 8.310 nan 0.000 0.513 455 H N 2.930 122.035 119.070 0.059 0.000 2.275 455 H HA -0.310 4.273 4.556 0.045 0.000 0.287 455 H C 2.260 177.624 175.328 0.059 0.000 1.097 455 H CA 2.803 58.884 56.048 0.055 0.000 1.169 455 H CB -0.798 28.987 29.762 0.039 0.000 1.349 455 H HN 0.889 nan 8.280 nan 0.000 0.501 456 A N 1.096 124.011 122.820 0.158 0.000 1.884 456 A HA -0.242 4.105 4.320 0.045 0.000 0.219 456 A C 2.777 180.379 177.584 0.030 0.000 1.197 456 A CA 2.896 54.986 52.037 0.088 0.000 0.637 456 A CB -1.381 17.677 19.000 0.096 0.000 0.827 456 A HN 0.677 nan 8.150 nan 0.000 0.450 457 A N -0.731 122.116 122.820 0.045 0.000 1.834 457 A HA -0.063 4.284 4.320 0.045 0.000 0.216 457 A C 2.230 179.827 177.584 0.020 0.000 1.203 457 A CA 2.195 54.256 52.037 0.039 0.000 0.621 457 A CB -1.385 17.655 19.000 0.066 0.000 0.841 457 A HN 0.563 nan 8.150 nan 0.000 0.446 458 V N -0.295 119.638 119.914 0.031 0.000 2.218 458 V HA -0.335 3.813 4.120 0.045 0.000 0.251 458 V C 2.555 178.643 176.094 -0.011 0.000 1.057 458 V CA 2.477 64.797 62.300 0.034 0.000 1.022 458 V CB -1.020 30.821 31.823 0.030 0.000 0.645 458 V HN 0.395 nan 8.190 nan 0.000 0.451 459 V N -0.141 119.707 119.914 -0.110 0.000 2.688 459 V HA -0.227 3.920 4.120 0.045 0.000 0.256 459 V C 2.395 178.494 176.094 0.008 0.000 1.084 459 V CA 1.867 64.120 62.300 -0.079 0.000 1.103 459 V CB -1.086 30.586 31.823 -0.252 0.000 0.688 459 V HN 0.596 nan 8.190 nan 0.000 0.480 460 A N 0.033 122.854 122.820 0.002 0.000 1.911 460 A HA -0.028 4.320 4.320 0.045 0.000 0.212 460 A C 2.277 179.863 177.584 0.004 0.000 1.189 460 A CA 0.685 52.730 52.037 0.014 0.000 0.639 460 A CB -0.314 18.694 19.000 0.012 0.000 0.839 460 A HN 0.437 nan 8.150 nan 0.000 0.449 461 R N -0.185 120.312 120.500 -0.005 0.000 2.328 461 R HA -0.011 4.356 4.340 0.045 0.000 0.207 461 R C 1.876 178.170 176.300 -0.011 0.000 1.056 461 R CA 0.710 56.794 56.100 -0.027 0.000 1.016 461 R CB -0.200 30.066 30.300 -0.057 0.000 0.872 461 R HN 0.526 nan 8.270 nan 0.000 0.471 462 G N 0.823 109.634 108.800 0.018 0.000 2.510 462 G HA2 -0.113 3.874 3.960 0.045 0.000 0.212 462 G HA3 -0.113 3.874 3.960 0.045 0.000 0.212 462 G C 1.263 176.182 174.900 0.031 0.000 1.151 462 G CA -0.072 45.053 45.100 0.040 0.000 0.817 462 G HN 0.280 nan 8.290 nan 0.000 0.534 463 M N 0.164 119.784 119.600 0.033 0.000 2.530 463 M HA 0.471 4.978 4.480 0.045 0.000 0.231 463 M C 1.321 177.632 176.300 0.018 0.000 1.180 463 M CA 0.254 55.574 55.300 0.034 0.000 0.985 463 M CB 0.243 32.881 32.600 0.063 0.000 1.623 463 M HN 0.128 nan 8.290 nan 0.000 0.475 464 G N 1.480 110.276 108.800 -0.007 0.000 2.321 464 G HA2 -0.222 3.765 3.960 0.045 0.000 0.287 464 G HA3 -0.222 3.765 3.960 0.045 0.000 0.287 464 G C -0.134 174.767 174.900 0.002 0.000 1.018 464 G CA 0.772 45.849 45.100 -0.038 0.000 0.855 464 G HN 0.537 nan 8.290 nan 0.000 0.507 465 T N -0.558 114.001 114.554 0.008 0.000 2.918 465 T HA 0.478 4.855 4.350 0.045 0.000 0.286 465 T C 0.706 175.400 174.700 -0.010 0.000 1.026 465 T CA 0.067 62.173 62.100 0.010 0.000 1.031 465 T CB 1.898 70.763 68.868 -0.005 0.000 1.046 465 T HN 0.893 nan 8.240 nan 0.000 0.479 466 C N 2.443 121.731 119.300 -0.021 0.000 2.644 466 C HA 0.695 5.183 4.460 0.045 0.000 0.417 466 C C 0.417 175.400 174.990 -0.012 0.000 1.304 466 C CA -0.559 58.441 59.018 -0.029 0.000 2.035 466 C CB -1.392 26.317 27.740 -0.052 0.000 2.673 466 C HN 1.017 nan 8.230 nan 0.000 0.602 467 C N 5.554 124.853 119.300 -0.001 0.000 2.891 467 C HA 0.683 5.170 4.460 0.045 0.000 0.342 467 C C -1.020 173.985 174.990 0.025 0.000 1.126 467 C CA -0.376 58.650 59.018 0.013 0.000 1.322 467 C CB 0.813 28.564 27.740 0.018 0.000 1.763 467 C HN 0.886 nan 8.230 nan 0.000 0.491 468 V N 6.134 126.067 119.914 0.032 0.000 2.380 468 V HA 0.595 4.743 4.120 0.045 0.000 0.286 468 V C 0.322 176.439 176.094 0.037 0.000 1.015 468 V CA -0.070 62.256 62.300 0.044 0.000 0.834 468 V CB 1.362 33.223 31.823 0.063 0.000 1.009 468 V HN 1.027 nan 8.190 nan 0.000 0.428 469 S N 2.832 118.557 115.700 0.041 0.000 2.747 469 S HA 0.813 5.310 4.470 0.045 0.000 0.300 469 S C 1.104 175.729 174.600 0.041 0.000 1.121 469 S CA 0.127 58.351 58.200 0.039 0.000 0.995 469 S CB 1.700 64.928 63.200 0.047 0.000 1.113 469 S HN 2.089 nan 8.310 nan 0.000 0.547 470 G N -0.716 108.108 108.800 0.039 0.000 2.186 470 G HA2 -0.300 3.687 3.960 0.045 0.000 0.266 470 G HA3 -0.300 3.687 3.960 0.045 0.000 0.266 470 G C 0.491 175.417 174.900 0.043 0.000 0.982 470 G CA 0.170 45.294 45.100 0.040 0.000 0.670 470 G HN 1.369 nan 8.290 nan 0.000 0.533 471 C N 2.096 121.422 119.300 0.042 0.000 2.669 471 C HA 0.518 5.006 4.460 0.045 0.000 0.380 471 C C 2.316 177.338 174.990 0.052 0.000 1.145 471 C CA 0.444 59.493 59.018 0.052 0.000 1.349 471 C CB -1.300 26.472 27.740 0.054 0.000 1.941 471 C HN 0.698 nan 8.230 nan 0.000 0.559 472 G N 3.947 112.780 108.800 0.054 0.000 2.459 472 G HA2 -0.199 3.788 3.960 0.045 0.000 0.217 472 G HA3 -0.199 3.788 3.960 0.045 0.000 0.217 472 G C 1.423 176.361 174.900 0.063 0.000 1.183 472 G CA 0.935 46.067 45.100 0.054 0.000 0.776 472 G HN 0.868 nan 8.290 nan 0.000 0.552 473 E N 0.887 121.129 120.200 0.071 0.000 2.476 473 E HA -0.167 4.210 4.350 0.045 0.000 0.206 473 E C 0.650 177.315 176.600 0.109 0.000 1.079 473 E CA 0.381 56.830 56.400 0.082 0.000 0.891 473 E CB -0.756 28.997 29.700 0.087 0.000 0.821 473 E HN 0.483 nan 8.360 nan 0.000 0.572 474 I N 1.849 122.488 120.570 0.115 0.000 2.291 474 I HA 0.105 4.303 4.170 0.045 0.000 0.292 474 I C -0.020 176.186 176.117 0.149 0.000 1.064 474 I CA -0.659 60.746 61.300 0.174 0.000 1.269 474 I CB 0.475 38.544 38.000 0.115 0.000 1.418 474 I HN -0.321 nan 8.210 nan 0.000 0.485 475 K N 7.350 127.849 120.400 0.165 0.000 2.268 475 K HA 0.532 4.879 4.320 0.045 0.000 0.276 475 K C -0.508 176.187 176.600 0.158 0.000 1.080 475 K CA -0.087 56.270 56.287 0.117 0.000 0.910 475 K CB 0.763 33.308 32.500 0.076 0.000 1.163 475 K HN 0.464 nan 8.250 nan 0.000 0.465 476 I N 2.197 122.845 120.570 0.130 0.000 2.428 476 I HA 0.269 4.466 4.170 0.045 0.000 0.296 476 I C -0.033 176.107 176.117 0.039 0.000 0.985 476 I CA -0.857 60.524 61.300 0.135 0.000 1.260 476 I CB 1.436 39.514 38.000 0.130 0.000 1.389 476 I HN 0.494 nan 8.210 nan 0.000 0.484 477 N N 4.182 122.861 118.700 -0.035 0.000 2.399 477 N HA 0.232 4.999 4.740 0.045 0.000 0.284 477 N C -0.135 175.243 175.510 -0.219 0.000 1.025 477 N CA -0.345 52.643 53.050 -0.103 0.000 0.885 477 N CB 1.911 40.334 38.487 -0.106 0.000 1.339 477 N HN 0.479 nan 8.380 nan 0.000 0.487 478 E N 1.597 121.712 120.200 -0.142 0.000 2.127 478 E HA -0.020 4.357 4.350 0.045 0.000 0.191 478 E C 0.802 177.317 176.600 -0.142 0.000 0.964 478 E CA 0.466 56.776 56.400 -0.151 0.000 0.832 478 E CB 0.175 29.844 29.700 -0.051 0.000 0.790 478 E HN 0.695 nan 8.360 nan 0.000 0.465 479 E N 0.564 120.705 120.200 -0.098 0.000 2.209 479 E HA -0.131 4.247 4.350 0.045 0.000 0.196 479 E C 1.108 177.650 176.600 -0.096 0.000 0.993 479 E CA 1.396 57.750 56.400 -0.076 0.000 0.819 479 E CB 0.010 29.678 29.700 -0.054 0.000 0.745 479 E HN 0.216 nan 8.360 nan 0.000 0.477 480 A N -0.426 122.309 122.820 -0.142 0.000 2.508 480 A HA 0.251 4.598 4.320 0.045 0.000 0.250 480 A C -0.194 177.241 177.584 -0.250 0.000 1.208 480 A CA 0.020 51.970 52.037 -0.146 0.000 0.960 480 A CB 0.100 19.032 19.000 -0.113 0.000 1.099 480 A HN 0.130 nan 8.150 nan 0.000 0.542 481 K N 1.231 121.381 120.400 -0.418 0.000 4.007 481 K HA -0.155 4.192 4.320 0.045 0.000 0.279 481 K C -0.393 175.517 176.600 -1.151 0.000 0.919 481 K CA 1.032 56.753 56.287 -0.943 0.000 0.800 481 K CB -2.171 30.047 32.500 -0.470 0.000 1.572 481 K HN 0.819 nan 8.250 nan 0.000 0.443 482 T N -1.503 112.520 114.554 -0.884 0.000 2.853 482 T HA 0.773 5.150 4.350 0.045 0.000 0.311 482 T C -0.832 173.927 174.700 0.098 0.000 1.307 482 T CA -1.128 60.839 62.100 -0.221 0.000 1.019 482 T CB 1.785 70.608 68.868 -0.075 0.000 1.264 482 T HN 0.432 nan 8.240 nan 0.000 0.497 483 F N -1.156 118.889 119.950 0.159 0.000 2.628 483 F HA 0.766 5.320 4.527 0.045 0.000 0.309 483 F C -1.161 174.736 175.800 0.161 0.000 1.108 483 F CA -1.063 57.019 58.000 0.136 0.000 0.971 483 F CB 1.607 40.705 39.000 0.164 0.000 1.279 483 F HN 0.689 nan 8.300 nan 0.000 0.441 484 E N 4.170 124.358 120.200 -0.020 0.000 2.146 484 E HA 0.503 4.881 4.350 0.045 0.000 0.282 484 E C -1.451 175.160 176.600 0.019 0.000 0.989 484 E CA -0.666 55.695 56.400 -0.065 0.000 0.799 484 E CB 2.016 31.724 29.700 0.013 0.000 1.088 484 E HN 0.736 nan 8.360 nan 0.000 0.397 485 L N 3.304 124.529 121.223 0.002 0.000 2.439 485 L HA 0.412 4.779 4.340 0.045 0.000 0.270 485 L C 0.506 177.516 176.870 0.233 0.000 0.972 485 L CA -0.079 54.851 54.840 0.150 0.000 0.836 485 L CB 1.241 43.390 42.059 0.150 0.000 1.255 485 L HN 0.868 nan 8.230 nan 0.000 0.404 486 G N 3.390 112.302 108.800 0.187 0.000 2.583 486 G HA2 -0.327 3.660 3.960 0.045 0.000 0.292 486 G HA3 -0.327 3.660 3.960 0.045 0.000 0.292 486 G C 0.622 175.618 174.900 0.160 0.000 1.203 486 G CA 0.137 45.348 45.100 0.185 0.000 0.987 486 G HN 1.026 nan 8.290 nan 0.000 0.554 487 G N -0.223 108.705 108.800 0.213 0.000 3.496 487 G HA2 0.527 4.514 3.960 0.045 0.000 0.273 487 G HA3 0.527 4.514 3.960 0.045 0.000 0.273 487 G C 0.161 174.947 174.900 -0.190 0.000 1.279 487 G CA 0.940 46.070 45.100 0.050 0.000 1.041 487 G HN 0.904 nan 8.290 nan 0.000 0.539 488 H N -1.787 117.276 119.070 -0.010 0.000 3.008 488 H HA 0.643 5.227 4.556 0.045 0.000 0.354 488 H C -0.752 174.494 175.328 -0.137 0.000 1.252 488 H CA -0.591 55.369 56.048 -0.146 0.000 1.117 488 H CB 2.034 31.585 29.762 -0.350 0.000 1.857 488 H HN 0.017 nan 8.280 nan 0.000 0.547 489 T N 1.631 116.091 114.554 -0.157 0.000 2.840 489 T HA 0.597 4.974 4.350 0.045 0.000 0.287 489 T C -1.427 173.157 174.700 -0.195 0.000 0.991 489 T CA -0.540 61.487 62.100 -0.123 0.000 0.964 489 T CB -0.058 68.750 68.868 -0.100 0.000 0.954 489 T HN 0.242 nan 8.240 nan 0.000 0.438 490 F N 2.370 122.090 119.950 -0.382 0.000 2.497 490 F HA 0.829 5.383 4.527 0.045 0.000 0.331 490 F C 0.626 176.455 175.800 0.048 0.000 1.060 490 F CA -1.396 56.501 58.000 -0.173 0.000 0.989 490 F CB 1.782 40.652 39.000 -0.217 0.000 1.245 490 F HN 0.733 nan 8.300 nan 0.000 0.486 491 A N 0.910 123.928 122.820 0.330 0.000 2.768 491 A HA 0.508 4.855 4.320 0.045 0.000 0.298 491 A C -0.078 177.655 177.584 0.248 0.000 1.159 491 A CA -0.560 51.652 52.037 0.291 0.000 0.783 491 A CB -0.147 18.924 19.000 0.119 0.000 1.333 491 A HN 0.897 nan 8.150 nan 0.000 0.412 492 E N 0.346 120.727 120.200 0.302 0.000 2.735 492 E HA -0.274 4.103 4.350 0.045 0.000 0.261 492 E C 0.938 177.554 176.600 0.026 0.000 1.137 492 E CA 1.038 57.435 56.400 -0.005 0.000 0.754 492 E CB -1.044 28.575 29.700 -0.135 0.000 1.352 492 E HN 1.030 nan 8.360 nan 0.000 0.430 493 G N 0.117 109.010 108.800 0.155 0.000 2.531 493 G HA2 0.195 4.182 3.960 0.045 0.000 0.253 493 G HA3 0.195 4.182 3.960 0.045 0.000 0.253 493 G C -0.345 174.685 174.900 0.217 0.000 1.439 493 G CA -0.416 44.787 45.100 0.172 0.000 1.056 493 G HN 0.048 nan 8.290 nan 0.000 0.555 494 D N -0.503 120.035 120.400 0.229 0.000 2.232 494 D HA 0.435 5.102 4.640 0.045 0.000 0.242 494 D C -1.385 175.122 176.300 0.345 0.000 1.093 494 D CA 0.027 54.163 54.000 0.228 0.000 0.845 494 D CB 1.631 42.518 40.800 0.145 0.000 1.124 494 D HN 0.129 nan 8.370 nan 0.000 0.467 495 Y N 2.616 122.999 120.300 0.137 0.000 2.633 495 Y HA 0.570 5.147 4.550 0.045 0.000 0.339 495 Y C -1.159 174.788 175.900 0.078 0.000 1.045 495 Y CA -0.898 57.267 58.100 0.108 0.000 1.098 495 Y CB 1.159 39.617 38.460 -0.003 0.000 1.296 495 Y HN 0.237 nan 8.280 nan 0.000 0.494 496 I N 2.161 122.322 120.570 -0.682 0.000 2.722 496 I HA 0.589 4.786 4.170 0.045 0.000 0.295 496 I C -0.925 174.951 176.117 -0.401 0.000 1.161 496 I CA -0.174 60.920 61.300 -0.343 0.000 1.032 496 I CB 2.287 40.142 38.000 -0.242 0.000 1.244 496 I HN 0.636 nan 8.210 nan 0.000 0.421 497 S N 5.698 121.396 115.700 -0.003 0.000 2.671 497 S HA 0.997 5.494 4.470 0.045 0.000 0.277 497 S C -1.352 173.357 174.600 0.182 0.000 1.165 497 S CA -0.682 57.548 58.200 0.050 0.000 0.822 497 S CB 2.412 65.632 63.200 0.033 0.000 1.150 497 S HN 1.118 nan 8.310 nan 0.000 0.479 498 L N -1.423 119.871 121.223 0.118 0.000 3.133 498 L HA 0.601 4.968 4.340 0.045 0.000 0.289 498 L C -0.317 176.578 176.870 0.043 0.000 1.012 498 L CA -0.199 54.680 54.840 0.065 0.000 1.001 498 L CB -0.357 41.792 42.059 0.149 0.000 1.580 498 L HN 0.833 nan 8.230 nan 0.000 0.373 499 D N -0.492 119.917 120.400 0.014 0.000 2.371 499 D HA 0.123 4.791 4.640 0.045 0.000 0.221 499 D C 1.476 177.796 176.300 0.034 0.000 0.986 499 D CA 1.054 55.062 54.000 0.014 0.000 0.899 499 D CB -0.201 40.592 40.800 -0.013 0.000 0.902 499 D HN 0.913 nan 8.370 nan 0.000 0.530 500 G N -0.466 108.365 108.800 0.052 0.000 3.210 500 G HA2 0.076 4.063 3.960 0.045 0.000 0.220 500 G HA3 0.076 4.063 3.960 0.045 0.000 0.220 500 G C 0.813 175.747 174.900 0.055 0.000 1.200 500 G CA 0.121 45.254 45.100 0.054 0.000 0.834 500 G HN 0.153 nan 8.290 nan 0.000 0.524 501 S N -1.113 114.620 115.700 0.055 0.000 2.616 501 S HA -0.297 4.200 4.470 0.045 0.000 0.254 501 S C 1.323 175.962 174.600 0.065 0.000 1.299 501 S CA 1.705 59.940 58.200 0.058 0.000 1.553 501 S CB -1.997 61.236 63.200 0.056 0.000 1.999 501 S HN 1.339 nan 8.310 nan 0.000 0.677 502 T N 0.539 115.131 114.554 0.063 0.000 2.907 502 T HA 0.548 4.925 4.350 0.045 0.000 0.298 502 T C 0.332 175.062 174.700 0.050 0.000 1.017 502 T CA 0.178 62.314 62.100 0.060 0.000 1.118 502 T CB 1.580 70.473 68.868 0.041 0.000 0.948 502 T HN 0.669 nan 8.240 nan 0.000 0.531 503 G N 2.874 111.721 108.800 0.078 0.000 2.388 503 G HA2 0.664 4.651 3.960 0.045 0.000 0.330 503 G HA3 0.664 4.651 3.960 0.045 0.000 0.330 503 G C -0.778 174.109 174.900 -0.022 0.000 1.142 503 G CA -1.013 44.115 45.100 0.047 0.000 0.908 503 G HN 0.987 nan 8.290 nan 0.000 0.473 504 K N 1.939 122.093 120.400 -0.409 0.000 2.522 504 K HA 0.481 4.828 4.320 0.045 0.000 0.275 504 K C -0.164 176.299 176.600 -0.229 0.000 1.006 504 K CA -0.958 55.211 56.287 -0.196 0.000 0.890 504 K CB 1.864 34.263 32.500 -0.168 0.000 1.475 504 K HN 0.486 nan 8.250 nan 0.000 0.441 511 E N 4.466 124.655 120.200 -0.017 0.000 2.493 511 E HA 0.107 4.484 4.350 0.045 0.000 0.255 511 E C -0.549 176.158 176.600 0.177 0.000 0.999 511 E CA 0.368 56.804 56.400 0.062 0.000 0.934 511 E CB 0.708 30.422 29.700 0.023 0.000 0.940 511 E HN 0.528 nan 8.360 nan 0.000 0.473 512 T N 1.992 116.657 114.554 0.185 0.000 2.944 512 T HA 0.269 4.646 4.350 0.045 0.000 0.284 512 T C 0.538 175.283 174.700 0.076 0.000 1.010 512 T CA -0.687 61.516 62.100 0.171 0.000 1.025 512 T CB 1.791 70.706 68.868 0.077 0.000 1.079 512 T HN 0.674 nan 8.240 nan 0.000 0.516 513 Q N 0.468 120.291 119.800 0.038 0.000 2.013 513 Q HA 0.593 4.960 4.340 0.045 0.000 0.158 513 Q C -0.259 175.736 176.000 -0.008 0.000 0.517 513 Q CA -0.560 55.254 55.803 0.019 0.000 0.753 513 Q CB 1.095 29.846 28.738 0.023 0.000 1.005 513 Q HN 0.728 nan 8.270 nan 0.000 0.393 514 E N -0.825 119.354 120.200 -0.035 0.000 2.365 514 E HA 0.579 4.957 4.350 0.045 0.000 0.280 514 E C -2.197 174.352 176.600 -0.085 0.000 1.188 514 E CA 0.021 56.373 56.400 -0.081 0.000 0.931 514 E CB 1.683 31.357 29.700 -0.042 0.000 1.201 514 E HN 0.649 nan 8.360 nan 0.000 0.423 515 A N 0.976 123.716 122.820 -0.133 0.000 2.544 515 A HA 0.618 4.966 4.320 0.045 0.000 0.291 515 A C -0.276 177.228 177.584 -0.134 0.000 1.055 515 A CA -0.198 51.775 52.037 -0.107 0.000 0.651 515 A CB 0.516 19.466 19.000 -0.083 0.000 1.296 515 A HN 1.071 nan 8.150 nan 0.000 0.431 516 S N -0.765 114.879 115.700 -0.094 0.000 3.702 516 S HA 0.206 4.703 4.470 0.045 0.000 0.284 516 S C 0.531 175.044 174.600 -0.144 0.000 1.628 516 S CA 0.754 58.900 58.200 -0.090 0.000 1.271 516 S CB -0.605 62.563 63.200 -0.053 0.000 0.664 516 S HN 2.372 nan 8.310 nan 0.000 0.400 517 V N -3.023 116.828 119.914 -0.105 0.000 2.752 517 V HA 0.687 4.834 4.120 0.045 0.000 0.302 517 V C 0.132 176.238 176.094 0.020 0.000 1.133 517 V CA -0.502 61.716 62.300 -0.136 0.000 0.919 517 V CB 0.910 32.544 31.823 -0.315 0.000 1.026 517 V HN 1.511 nan 8.190 nan 0.000 0.429 518 S N 3.218 118.938 115.700 0.035 0.000 2.564 518 S HA 0.263 4.760 4.470 0.045 0.000 0.263 518 S C 1.425 176.081 174.600 0.094 0.000 1.378 518 S CA 0.490 58.724 58.200 0.057 0.000 0.996 518 S CB 0.514 63.747 63.200 0.056 0.000 0.881 518 S HN 2.058 nan 8.310 nan 0.000 0.555 519 G N -0.258 108.566 108.800 0.040 0.000 2.712 519 G HA2 0.021 4.008 3.960 0.045 0.000 0.212 519 G HA3 0.021 4.008 3.960 0.045 0.000 0.212 519 G C 1.289 176.173 174.900 -0.026 0.000 1.142 519 G CA 0.292 45.395 45.100 0.004 0.000 0.789 519 G HN 0.660 nan 8.290 nan 0.000 0.535 520 S N -0.216 115.494 115.700 0.016 0.000 2.461 520 S HA 0.045 4.542 4.470 0.045 0.000 0.228 520 S C 1.666 176.287 174.600 0.034 0.000 1.005 520 S CA 0.149 58.355 58.200 0.010 0.000 0.942 520 S CB -0.169 63.059 63.200 0.046 0.000 0.776 520 S HN 0.472 nan 8.310 nan 0.000 0.514 521 F N 2.948 122.869 119.950 -0.048 0.000 2.128 521 F HA 0.013 4.567 4.527 0.045 0.000 0.295 521 F C 2.131 177.895 175.800 -0.060 0.000 1.100 521 F CA 1.284 59.261 58.000 -0.037 0.000 1.260 521 F CB -0.437 38.539 39.000 -0.040 0.000 1.009 521 F HN 0.057 nan 8.300 nan 0.000 0.476 522 E N 0.853 120.904 120.200 -0.248 0.000 2.031 522 E HA -0.214 4.163 4.350 0.045 0.000 0.193 522 E C 2.335 178.689 176.600 -0.411 0.000 0.994 522 E CA 1.345 57.529 56.400 -0.360 0.000 0.800 522 E CB -0.638 28.982 29.700 -0.134 0.000 0.752 522 E HN 0.484 nan 8.360 nan 0.000 0.447 523 R N 0.539 120.818 120.500 -0.369 0.000 2.133 523 R HA -0.125 4.242 4.340 0.045 0.000 0.247 523 R C 2.500 178.280 176.300 -0.866 0.000 1.151 523 R CA 1.329 57.054 56.100 -0.625 0.000 0.971 523 R CB -0.431 29.574 30.300 -0.490 0.000 0.866 523 R HN 0.275 nan 8.270 nan 0.000 0.447 524 I N -0.469 119.865 120.570 -0.393 0.000 3.030 524 I HA -0.122 4.075 4.170 0.045 0.000 0.270 524 I C 1.587 177.622 176.117 -0.136 0.000 1.211 524 I CA 0.585 61.857 61.300 -0.046 0.000 1.479 524 I CB 0.217 38.288 38.000 0.118 0.000 1.105 524 I HN 0.070 nan 8.210 nan 0.000 0.447 525 M N 0.428 119.793 119.600 -0.392 0.000 2.200 525 M HA -0.075 4.433 4.480 0.045 0.000 0.265 525 M C 2.311 178.459 176.300 -0.253 0.000 1.066 525 M CA 1.329 56.394 55.300 -0.392 0.000 1.127 525 M CB -1.163 31.013 32.600 -0.708 0.000 1.379 525 M HN 0.139 nan 8.290 nan 0.000 0.420 526 V N -1.055 118.656 119.914 -0.337 0.000 2.287 526 V HA -0.274 3.873 4.120 0.045 0.000 0.248 526 V C 2.236 178.209 176.094 -0.202 0.000 1.053 526 V CA 1.572 63.691 62.300 -0.303 0.000 1.027 526 V CB -0.734 30.833 31.823 -0.428 0.000 0.646 526 V HN 0.441 nan 8.190 nan 0.000 0.447 527 W N 0.166 121.406 121.300 -0.100 0.000 2.358 527 W HA -0.147 4.540 4.660 0.045 0.000 0.303 527 W C 2.740 179.250 176.519 -0.016 0.000 1.208 527 W CA 1.638 58.942 57.345 -0.068 0.000 1.274 527 W CB -1.396 28.149 29.460 0.141 0.000 1.138 527 W HN 0.320 nan 8.180 nan 0.000 0.515 528 A N 0.858 123.841 122.820 0.272 0.000 1.851 528 A HA -0.255 4.092 4.320 0.045 0.000 0.216 528 A C 1.668 179.316 177.584 0.108 0.000 1.195 528 A CA 2.430 54.604 52.037 0.228 0.000 0.622 528 A CB -1.224 17.841 19.000 0.108 0.000 0.831 528 A HN 0.193 nan 8.150 nan 0.000 0.444 529 D N -0.343 120.062 120.400 0.007 0.000 2.315 529 D HA -0.154 4.513 4.640 0.045 0.000 0.211 529 D C 1.692 177.936 176.300 -0.094 0.000 0.977 529 D CA 1.598 55.579 54.000 -0.033 0.000 0.894 529 D CB -0.086 40.677 40.800 -0.062 0.000 0.910 529 D HN 0.836 nan 8.370 nan 0.000 0.490 530 K N -1.091 119.168 120.400 -0.234 0.000 2.358 530 K HA 0.102 4.449 4.320 0.045 0.000 0.197 530 K C 0.367 176.644 176.600 -0.538 0.000 1.025 530 K CA 0.206 56.248 56.287 -0.410 0.000 1.104 530 K CB 0.235 32.417 32.500 -0.530 0.000 0.855 530 K HN 0.049 nan 8.250 nan 0.000 0.531 531 F N 1.929 121.914 119.950 0.058 0.000 2.789 531 F HA 0.247 4.801 4.527 0.045 0.000 0.320 531 F C 0.471 176.284 175.800 0.021 0.000 1.079 531 F CA -0.856 57.164 58.000 0.033 0.000 1.205 531 F CB 0.416 39.429 39.000 0.021 0.000 1.046 531 F HN -0.062 nan 8.300 nan 0.000 0.586 532 R N 0.801 121.398 120.500 0.162 0.000 2.357 532 R HA 0.352 4.719 4.340 0.045 0.000 0.296 532 R C 0.720 177.087 176.300 0.112 0.000 1.052 532 R CA 0.606 56.777 56.100 0.117 0.000 0.988 532 R CB 0.958 31.318 30.300 0.100 0.000 1.025 532 R HN 0.170 nan 8.270 nan 0.000 0.469 533 T N 1.181 115.822 114.554 0.145 0.000 3.040 533 T HA 0.133 4.510 4.350 0.045 0.000 0.252 533 T C 1.029 175.821 174.700 0.154 0.000 1.064 533 T CA -0.198 61.993 62.100 0.152 0.000 1.110 533 T CB 0.116 69.101 68.868 0.194 0.000 0.921 533 T HN 0.395 nan 8.240 nan 0.000 0.480 534 L N 2.008 123.347 121.223 0.194 0.000 2.456 534 L HA 0.305 4.672 4.340 0.045 0.000 0.272 534 L C 0.576 177.540 176.870 0.157 0.000 1.189 534 L CA -0.343 54.605 54.840 0.181 0.000 0.846 534 L CB 0.575 42.755 42.059 0.201 0.000 1.111 534 L HN 0.091 nan 8.230 nan 0.000 0.475 535 K N 2.014 122.524 120.400 0.183 0.000 2.106 535 K HA 0.556 4.903 4.320 0.045 0.000 0.246 535 K C -1.013 175.707 176.600 0.200 0.000 0.987 535 K CA -0.646 55.743 56.287 0.169 0.000 0.904 535 K CB 2.179 34.781 32.500 0.170 0.000 1.071 535 K HN 0.217 nan 8.250 nan 0.000 0.453 536 V N 3.147 123.144 119.914 0.139 0.000 2.409 536 V HA 0.352 4.499 4.120 0.045 0.000 0.290 536 V C 0.041 176.179 176.094 0.073 0.000 1.017 536 V CA -0.768 61.613 62.300 0.135 0.000 0.841 536 V CB 1.361 33.256 31.823 0.119 0.000 1.003 536 V HN 0.647 nan 8.190 nan 0.000 0.426 537 R N 1.670 122.201 120.500 0.051 0.000 2.719 537 R HA 0.819 5.186 4.340 0.045 0.000 0.233 537 R C -0.116 176.204 176.300 0.034 0.000 1.257 537 R CA -0.551 55.527 56.100 -0.037 0.000 1.109 537 R CB 1.502 31.666 30.300 -0.228 0.000 1.447 537 R HN 0.629 nan 8.270 nan 0.000 0.537 538 T N -0.455 114.108 114.554 0.015 0.000 2.864 538 T HA 0.343 4.720 4.350 0.045 0.000 0.289 538 T C -1.385 173.338 174.700 0.038 0.000 1.082 538 T CA -0.888 61.235 62.100 0.039 0.000 1.009 538 T CB 0.968 69.850 68.868 0.024 0.000 1.234 538 T HN 0.414 nan 8.240 nan 0.000 0.526 539 N N 1.936 120.661 118.700 0.042 0.000 2.609 539 N HA 0.621 5.388 4.740 0.045 0.000 0.234 539 N C -1.123 174.397 175.510 0.017 0.000 1.001 539 N CA -0.326 52.753 53.050 0.048 0.000 0.926 539 N CB 1.274 39.798 38.487 0.063 0.000 1.130 539 N HN 0.719 nan 8.380 nan 0.000 0.510 540 A N 1.023 123.854 122.820 0.018 0.000 2.374 540 A HA 0.526 4.873 4.320 0.045 0.000 0.305 540 A C -0.310 177.288 177.584 0.023 0.000 1.053 540 A CA -0.673 51.361 52.037 -0.005 0.000 0.726 540 A CB 1.236 20.221 19.000 -0.025 0.000 1.229 540 A HN 0.374 nan 8.150 nan 0.000 0.431 541 D N 0.945 121.354 120.400 0.016 0.000 2.433 541 D HA 0.160 4.828 4.640 0.045 0.000 0.211 541 D C -0.208 176.097 176.300 0.008 0.000 1.114 541 D CA 0.756 54.798 54.000 0.070 0.000 0.837 541 D CB 1.014 41.891 40.800 0.129 0.000 0.984 541 D HN 0.441 nan 8.370 nan 0.000 0.505 542 T N 1.082 115.605 114.554 -0.052 0.000 2.909 542 T HA 0.241 4.618 4.350 0.045 0.000 0.299 542 T C -1.908 172.758 174.700 -0.056 0.000 1.073 542 T CA -1.316 60.736 62.100 -0.080 0.000 0.999 542 T CB 3.215 72.008 68.868 -0.125 0.000 1.098 542 T HN -0.285 nan 8.240 nan 0.000 0.477 543 P HA -0.174 nan 4.420 nan 0.000 0.214 543 P C 1.206 178.489 177.300 -0.028 0.000 1.163 543 P CA 1.424 64.506 63.100 -0.030 0.000 0.889 543 P CB 0.345 32.033 31.700 -0.021 0.000 0.790 544 E N 0.099 120.278 120.200 -0.034 0.000 2.085 544 E HA -0.178 4.200 4.350 0.045 0.000 0.194 544 E C 1.869 178.443 176.600 -0.044 0.000 0.994 544 E CA 1.108 57.491 56.400 -0.029 0.000 0.801 544 E CB -0.834 28.847 29.700 -0.031 0.000 0.743 544 E HN 0.347 nan 8.360 nan 0.000 0.453 545 D N 0.040 120.397 120.400 -0.072 0.000 2.144 545 D HA -0.075 4.592 4.640 0.045 0.000 0.200 545 D C 1.895 178.149 176.300 -0.076 0.000 0.978 545 D CA 1.053 54.987 54.000 -0.109 0.000 0.833 545 D CB -0.197 40.526 40.800 -0.129 0.000 0.961 545 D HN 0.119 nan 8.370 nan 0.000 0.470 546 T N 1.468 115.995 114.554 -0.046 0.000 2.622 546 T HA -0.122 4.255 4.350 0.045 0.000 0.266 546 T C 2.279 176.973 174.700 -0.009 0.000 1.047 546 T CA 0.711 62.797 62.100 -0.024 0.000 1.159 546 T CB -0.417 68.441 68.868 -0.016 0.000 0.863 546 T HN 0.094 nan 8.240 nan 0.000 0.422 547 L N 1.270 122.491 121.223 -0.003 0.000 1.997 547 L HA -0.220 4.147 4.340 0.045 0.000 0.216 547 L C 2.672 179.560 176.870 0.029 0.000 1.074 547 L CA 1.327 56.176 54.840 0.014 0.000 0.763 547 L CB -0.748 41.320 42.059 0.014 0.000 0.890 547 L HN 0.256 nan 8.230 nan 0.000 0.434 548 N N 0.030 118.743 118.700 0.022 0.000 2.094 548 N HA -0.214 4.553 4.740 0.045 0.000 0.191 548 N C 1.785 177.348 175.510 0.088 0.000 1.023 548 N CA 1.835 54.925 53.050 0.066 0.000 0.857 548 N CB -0.317 38.182 38.487 0.019 0.000 1.013 548 N HN 0.408 nan 8.380 nan 0.000 0.426 549 A N 0.624 123.461 122.820 0.029 0.000 1.968 549 A HA -0.001 4.346 4.320 0.045 0.000 0.217 549 A C 2.499 180.124 177.584 0.067 0.000 1.169 549 A CA 0.848 52.917 52.037 0.053 0.000 0.638 549 A CB -0.516 18.490 19.000 0.010 0.000 0.812 549 A HN 0.106 nan 8.150 nan 0.000 0.446 550 V N 0.415 120.358 119.914 0.048 0.000 2.392 550 V HA -0.272 3.875 4.120 0.045 0.000 0.249 550 V C 2.438 178.569 176.094 0.062 0.000 1.059 550 V CA 2.328 64.656 62.300 0.047 0.000 1.051 550 V CB -0.720 31.124 31.823 0.034 0.000 0.658 550 V HN 0.688 nan 8.190 nan 0.000 0.455 551 K N -0.108 120.337 120.400 0.074 0.000 2.362 551 K HA -0.044 4.304 4.320 0.045 0.000 0.200 551 K C 1.647 178.317 176.600 0.118 0.000 1.046 551 K CA 1.079 57.417 56.287 0.085 0.000 0.952 551 K CB -0.063 32.488 32.500 0.086 0.000 0.753 551 K HN 0.468 nan 8.250 nan 0.000 0.466 552 L N -1.173 120.133 121.223 0.139 0.000 2.640 552 L HA 0.266 4.633 4.340 0.045 0.000 0.230 552 L C 0.852 177.822 176.870 0.167 0.000 1.123 552 L CA 0.333 55.292 54.840 0.198 0.000 0.900 552 L CB 0.675 42.863 42.059 0.216 0.000 1.146 552 L HN 0.448 nan 8.230 nan 0.000 0.484 553 G N 0.420 109.284 108.800 0.106 0.000 2.148 553 G HA2 -0.154 3.834 3.960 0.045 0.000 0.157 553 G HA3 -0.154 3.834 3.960 0.045 0.000 0.157 553 G C 0.285 175.223 174.900 0.064 0.000 1.012 553 G CA -0.234 44.909 45.100 0.071 0.000 0.677 553 G HN 0.346 nan 8.290 nan 0.000 0.506 554 A N 0.450 123.309 122.820 0.064 0.000 2.476 554 A HA 0.553 4.900 4.320 0.045 0.000 0.275 554 A C 1.022 178.622 177.584 0.026 0.000 1.133 554 A CA 0.766 52.831 52.037 0.048 0.000 0.797 554 A CB 0.016 19.041 19.000 0.041 0.000 1.081 554 A HN 0.521 nan 8.150 nan 0.000 0.510 555 E N 1.939 122.150 120.200 0.017 0.000 2.463 555 E HA 0.311 4.689 4.350 0.045 0.000 0.191 555 E C 0.910 177.492 176.600 -0.030 0.000 1.083 555 E CA 0.520 56.920 56.400 0.001 0.000 0.872 555 E CB 0.064 29.770 29.700 0.009 0.000 0.966 555 E HN 0.962 nan 8.360 nan 0.000 0.491 556 G N 0.521 109.297 108.800 -0.040 0.000 2.352 556 G HA2 0.132 4.119 3.960 0.045 0.000 0.283 556 G HA3 0.132 4.119 3.960 0.045 0.000 0.283 556 G C -1.485 173.370 174.900 -0.075 0.000 1.308 556 G CA -1.086 43.977 45.100 -0.062 0.000 0.892 556 G HN 0.034 nan 8.290 nan 0.000 0.504 557 I N 0.702 121.221 120.570 -0.086 0.000 2.493 557 I HA 0.604 4.801 4.170 0.045 0.000 0.298 557 I C 1.199 177.250 176.117 -0.110 0.000 0.998 557 I CA -0.293 60.969 61.300 -0.062 0.000 1.137 557 I CB 2.145 40.137 38.000 -0.012 0.000 1.310 557 I HN 0.823 nan 8.210 nan 0.000 0.445 558 G N 4.786 113.562 108.800 -0.041 0.000 2.944 558 G HA2 0.310 4.297 3.960 0.045 0.000 0.223 558 G HA3 0.310 4.297 3.960 0.045 0.000 0.223 558 G C -0.257 174.718 174.900 0.125 0.000 1.071 558 G CA 0.260 45.375 45.100 0.024 0.000 0.806 558 G HN 0.344 nan 8.290 nan 0.000 0.538 559 L N 0.949 122.237 121.223 0.108 0.000 2.628 559 L HA 0.434 4.802 4.340 0.045 0.000 0.258 559 L C -1.092 175.855 176.870 0.128 0.000 1.027 559 L CA -1.097 53.825 54.840 0.137 0.000 0.910 559 L CB 0.958 43.100 42.059 0.139 0.000 1.157 559 L HN -0.047 nan 8.230 nan 0.000 0.452 560 C N 5.556 124.947 119.300 0.152 0.000 2.170 560 C HA 0.540 5.028 4.460 0.045 0.000 0.339 560 C C 0.746 175.863 174.990 0.213 0.000 1.056 560 C CA -0.612 58.505 59.018 0.165 0.000 1.535 560 C CB -0.793 27.046 27.740 0.166 0.000 1.785 560 C HN 0.788 nan 8.230 nan 0.000 0.440 561 R N 2.951 123.574 120.500 0.206 0.000 2.570 561 R HA 0.167 4.535 4.340 0.045 0.000 0.277 561 R C 1.487 177.927 176.300 0.234 0.000 1.039 561 R CA 0.800 57.038 56.100 0.229 0.000 1.065 561 R CB 0.570 31.005 30.300 0.225 0.000 0.964 561 R HN 0.852 nan 8.270 nan 0.000 0.428 562 T N -1.919 112.747 114.554 0.187 0.000 3.040 562 T HA 0.046 4.423 4.350 0.045 0.000 0.250 562 T C 1.033 175.773 174.700 0.067 0.000 1.058 562 T CA -0.211 61.927 62.100 0.063 0.000 0.988 562 T CB 0.228 69.226 68.868 0.217 0.000 0.993 562 T HN 0.413 nan 8.240 nan 0.000 0.519 563 E N 2.524 122.840 120.200 0.194 0.000 2.055 563 E HA -0.272 4.105 4.350 0.045 0.000 0.209 563 E C 1.781 178.588 176.600 0.346 0.000 1.036 563 E CA 2.354 58.908 56.400 0.257 0.000 0.849 563 E CB -0.782 29.229 29.700 0.517 0.000 0.767 563 E HN 0.986 nan 8.360 nan 0.000 0.461 564 H N -0.303 119.075 119.070 0.512 0.000 2.400 564 H HA -0.172 4.410 4.556 0.044 0.000 0.295 564 H C 1.778 177.236 175.328 0.216 0.000 1.118 564 H CA 1.960 58.278 56.048 0.450 0.000 1.256 564 H CB -0.615 29.278 29.762 0.217 0.000 1.365 564 H HN 0.174 nan 8.280 nan 0.000 0.502 565 M N -0.722 118.617 119.600 -0.435 0.000 2.446 565 M HA -0.054 4.453 4.480 0.045 0.000 0.263 565 M C 0.988 177.056 176.300 -0.385 0.000 1.066 565 M CA 1.396 56.447 55.300 -0.416 0.000 1.087 565 M CB -0.173 32.087 32.600 -0.566 0.000 1.406 565 M HN 0.258 nan 8.290 nan 0.000 0.459 566 F N -1.452 118.299 119.950 -0.331 0.000 2.505 566 F HA 0.140 4.698 4.527 0.052 0.000 0.289 566 F C 1.672 177.259 175.800 -0.356 0.000 1.101 566 F CA 0.319 58.024 58.000 -0.492 0.000 1.446 566 F CB -0.248 38.212 39.000 -0.901 0.000 1.123 566 F HN -0.104 nan 8.300 nan 0.000 0.564 567 F N 0.805 120.848 119.950 0.155 0.000 2.025 567 F HA -0.029 4.521 4.527 0.039 0.000 0.291 567 F C 1.068 176.906 175.800 0.064 0.000 1.150 567 F CA 0.355 58.466 58.000 0.186 0.000 1.166 567 F CB -1.200 37.939 39.000 0.233 0.000 0.995 567 F HN -0.264 nan 8.300 nan 0.000 0.474 568 E N 0.411 120.786 120.200 0.291 0.000 3.495 568 E HA -0.149 4.228 4.350 0.045 0.000 0.272 568 E C 1.185 177.793 176.600 0.012 0.000 0.845 568 E CA 0.103 56.571 56.400 0.114 0.000 0.974 568 E CB 0.215 29.964 29.700 0.081 0.000 0.919 568 E HN 0.390 nan 8.360 nan 0.000 0.556 569 A N 5.221 128.050 122.820 0.015 0.000 1.920 569 A HA -0.337 4.010 4.320 0.045 0.000 0.229 569 A C 1.665 179.199 177.584 -0.084 0.000 1.516 569 A CA 2.395 54.422 52.037 -0.018 0.000 0.714 569 A CB -0.579 18.416 19.000 -0.008 0.000 0.845 569 A HN 0.890 nan 8.150 nan 0.000 0.493 570 D N -0.918 119.407 120.400 -0.126 0.000 2.355 570 D HA -0.023 4.644 4.640 0.045 0.000 0.253 570 D C 0.912 176.904 176.300 -0.515 0.000 1.187 570 D CA 0.566 54.435 54.000 -0.217 0.000 0.900 570 D CB -0.309 40.412 40.800 -0.131 0.000 0.915 570 D HN 0.692 nan 8.370 nan 0.000 0.516 571 R N -1.099 119.165 120.500 -0.394 0.000 2.425 571 R HA 0.105 4.472 4.340 0.045 0.000 0.299 571 R C 1.108 177.247 176.300 -0.269 0.000 0.830 571 R CA -0.295 55.511 56.100 -0.491 0.000 1.052 571 R CB -0.356 29.596 30.300 -0.580 0.000 1.747 571 R HN 0.022 nan 8.270 nan 0.000 0.472 572 I N 1.168 121.654 120.570 -0.140 0.000 2.480 572 I HA -0.023 4.174 4.170 0.045 0.000 0.251 572 I C 1.677 177.753 176.117 -0.068 0.000 1.124 572 I CA 1.485 62.754 61.300 -0.051 0.000 1.444 572 I CB 0.178 38.209 38.000 0.051 0.000 1.098 572 I HN 0.029 nan 8.210 nan 0.000 0.428 573 M N 0.037 119.590 119.600 -0.079 0.000 2.374 573 M HA -0.121 4.386 4.480 0.045 0.000 0.264 573 M C 1.971 178.225 176.300 -0.077 0.000 1.067 573 M CA 1.317 56.578 55.300 -0.064 0.000 1.103 573 M CB -1.244 31.326 32.600 -0.051 0.000 1.402 573 M HN 0.235 nan 8.290 nan 0.000 0.444 574 K N -0.374 119.958 120.400 -0.113 0.000 2.186 574 K HA -0.021 4.326 4.320 0.045 0.000 0.202 574 K C 1.884 178.420 176.600 -0.107 0.000 1.052 574 K CA 0.596 56.821 56.287 -0.103 0.000 0.965 574 K CB -0.037 32.393 32.500 -0.118 0.000 0.746 574 K HN 0.100 nan 8.250 nan 0.000 0.457 575 I N 1.721 122.211 120.570 -0.133 0.000 2.353 575 I HA -0.169 4.028 4.170 0.045 0.000 0.248 575 I C 1.836 177.893 176.117 -0.101 0.000 1.119 575 I CA 1.275 62.500 61.300 -0.125 0.000 1.417 575 I CB 0.002 37.876 38.000 -0.210 0.000 1.078 575 I HN 0.001 nan 8.210 nan 0.000 0.421 576 R N 0.243 120.700 120.500 -0.071 0.000 2.115 576 R HA -0.143 4.224 4.340 0.045 0.000 0.230 576 R C 2.296 178.562 176.300 -0.056 0.000 1.111 576 R CA 1.016 57.089 56.100 -0.045 0.000 0.976 576 R CB -0.490 29.792 30.300 -0.030 0.000 0.870 576 R HN 0.360 nan 8.270 nan 0.000 0.445 577 K N 0.932 121.297 120.400 -0.058 0.000 2.097 577 K HA -0.077 4.270 4.320 0.045 0.000 0.205 577 K C 2.105 178.667 176.600 -0.063 0.000 1.050 577 K CA 0.875 57.130 56.287 -0.052 0.000 0.938 577 K CB -0.004 32.469 32.500 -0.045 0.000 0.718 577 K HN 0.118 nan 8.250 nan 0.000 0.442 578 M N 0.908 120.462 119.600 -0.078 0.000 2.108 578 M HA -0.177 4.330 4.480 0.045 0.000 0.261 578 M C 1.813 178.032 176.300 -0.135 0.000 1.066 578 M CA 1.559 56.798 55.300 -0.100 0.000 1.107 578 M CB -0.145 32.391 32.600 -0.107 0.000 1.356 578 M HN 0.124 nan 8.290 nan 0.000 0.406 579 I N 0.007 120.503 120.570 -0.123 0.000 2.439 579 I HA -0.283 3.914 4.170 0.045 0.000 0.251 579 I C 2.047 178.109 176.117 -0.092 0.000 1.139 579 I CA 0.827 62.050 61.300 -0.129 0.000 1.438 579 I CB -0.232 37.719 38.000 -0.082 0.000 1.085 579 I HN 0.336 nan 8.210 nan 0.000 0.427 580 L N -0.443 120.739 121.223 -0.068 0.000 2.375 580 L HA 0.075 4.442 4.340 0.045 0.000 0.215 580 L C 1.004 177.849 176.870 -0.041 0.000 1.108 580 L CA 0.088 54.900 54.840 -0.048 0.000 0.830 580 L CB -0.131 41.903 42.059 -0.041 0.000 0.959 580 L HN 0.037 nan 8.230 nan 0.000 0.457 581 S N 1.041 116.711 115.700 -0.050 0.000 2.515 581 S HA -0.034 4.463 4.470 0.045 0.000 0.285 581 S C 0.416 174.998 174.600 -0.030 0.000 1.265 581 S CA -0.160 58.017 58.200 -0.037 0.000 1.079 581 S CB 0.254 63.429 63.200 -0.042 0.000 0.877 581 S HN 0.166 nan 8.310 nan 0.000 0.493 582 D N 2.247 122.640 120.400 -0.012 0.000 2.676 582 D HA 0.147 4.814 4.640 0.045 0.000 0.239 582 D C 0.130 176.438 176.300 0.013 0.000 1.213 582 D CA 0.317 54.319 54.000 0.003 0.000 0.835 582 D CB 0.159 40.963 40.800 0.008 0.000 1.009 582 D HN 0.363 nan 8.370 nan 0.000 0.479 583 S N -1.046 114.659 115.700 0.009 0.000 2.537 583 S HA 0.179 4.676 4.470 0.045 0.000 0.271 583 S C 0.712 175.325 174.600 0.022 0.000 1.148 583 S CA -0.650 57.562 58.200 0.021 0.000 0.868 583 S CB 1.615 64.824 63.200 0.016 0.000 1.115 583 S HN -0.170 nan 8.310 nan 0.000 0.461 584 V N 3.568 123.508 119.914 0.043 0.000 2.667 584 V HA -0.028 4.120 4.120 0.045 0.000 0.252 584 V C 2.449 178.563 176.094 0.034 0.000 1.065 584 V CA 2.185 64.517 62.300 0.052 0.000 1.083 584 V CB -0.535 31.337 31.823 0.080 0.000 0.692 584 V HN 0.949 nan 8.190 nan 0.000 0.468 585 E N 0.267 120.483 120.200 0.027 0.000 2.106 585 E HA -0.173 4.204 4.350 0.045 0.000 0.192 585 E C 2.218 178.823 176.600 0.009 0.000 0.984 585 E CA 1.211 57.623 56.400 0.019 0.000 0.806 585 E CB -0.060 29.650 29.700 0.016 0.000 0.750 585 E HN 0.583 nan 8.360 nan 0.000 0.458 586 A N 1.140 123.962 122.820 0.004 0.000 1.897 586 A HA -0.082 4.265 4.320 0.045 0.000 0.215 586 A C 2.160 179.734 177.584 -0.016 0.000 1.181 586 A CA 0.934 52.967 52.037 -0.006 0.000 0.620 586 A CB -0.297 18.698 19.000 -0.009 0.000 0.821 586 A HN 0.113 nan 8.150 nan 0.000 0.443 587 R N -0.625 119.863 120.500 -0.021 0.000 2.070 587 R HA -0.146 4.221 4.340 0.045 0.000 0.233 587 R C 2.232 178.520 176.300 -0.020 0.000 1.137 587 R CA 1.640 57.715 56.100 -0.041 0.000 0.945 587 R CB -0.357 29.909 30.300 -0.058 0.000 0.845 587 R HN 0.683 nan 8.270 nan 0.000 0.430 588 E N 0.488 120.689 120.200 0.002 0.000 2.055 588 E HA -0.260 4.117 4.350 0.045 0.000 0.209 588 E C 1.918 178.518 176.600 0.000 0.000 1.036 588 E CA 1.892 58.299 56.400 0.012 0.000 0.849 588 E CB 0.073 29.785 29.700 0.020 0.000 0.767 588 E HN 0.220 nan 8.360 nan 0.000 0.461 589 E N -0.064 120.135 120.200 -0.003 0.000 2.037 589 E HA -0.346 4.031 4.350 0.045 0.000 0.214 589 E C 2.090 178.683 176.600 -0.013 0.000 1.041 589 E CA 1.256 57.652 56.400 -0.007 0.000 0.872 589 E CB -0.777 28.919 29.700 -0.007 0.000 0.785 589 E HN 0.375 nan 8.360 nan 0.000 0.476 590 A N 1.653 124.461 122.820 -0.020 0.000 1.894 590 A HA -0.271 4.076 4.320 0.045 0.000 0.220 590 A C 2.502 180.065 177.584 -0.035 0.000 1.237 590 A CA 2.318 54.337 52.037 -0.030 0.000 0.660 590 A CB -1.220 17.753 19.000 -0.044 0.000 0.835 590 A HN 0.268 nan 8.150 nan 0.000 0.461 591 L N -0.967 120.237 121.223 -0.032 0.000 2.013 591 L HA -0.286 4.081 4.340 0.045 0.000 0.212 591 L C 2.374 179.223 176.870 -0.035 0.000 1.073 591 L CA 1.919 56.739 54.840 -0.034 0.000 0.753 591 L CB -0.739 41.316 42.059 -0.006 0.000 0.890 591 L HN 0.446 nan 8.230 nan 0.000 0.432 592 N N -0.103 118.587 118.700 -0.017 0.000 2.272 592 N HA -0.197 4.570 4.740 0.045 0.000 0.185 592 N C 1.589 177.095 175.510 -0.007 0.000 1.014 592 N CA 0.997 54.039 53.050 -0.013 0.000 0.870 592 N CB -0.184 38.298 38.487 -0.008 0.000 0.975 592 N HN 0.385 nan 8.380 nan 0.000 0.433 593 E N -0.159 120.043 120.200 0.003 0.000 2.265 593 E HA -0.100 4.278 4.350 0.045 0.000 0.196 593 E C 1.358 178.031 176.600 0.123 0.000 0.996 593 E CA 0.558 56.984 56.400 0.043 0.000 0.832 593 E CB -0.030 29.696 29.700 0.043 0.000 0.756 593 E HN 0.433 nan 8.360 nan 0.000 0.491 594 L N 0.213 121.468 121.223 0.052 0.000 2.416 594 L HA 0.014 4.381 4.340 0.045 0.000 0.216 594 L C 2.184 179.095 176.870 0.067 0.000 1.098 594 L CA 0.078 54.960 54.840 0.070 0.000 0.840 594 L CB -0.088 41.839 42.059 -0.219 0.000 0.981 594 L HN 0.118 nan 8.230 nan 0.000 0.462 595 I N 0.955 121.526 120.570 0.001 0.000 2.185 595 I HA -0.243 3.954 4.170 0.045 0.000 0.246 595 I C -0.214 175.903 176.117 -0.001 0.000 1.088 595 I CA 1.492 62.790 61.300 -0.004 0.000 1.347 595 I CB -1.826 36.167 38.000 -0.010 0.000 1.041 595 I HN 0.257 nan 8.210 nan 0.000 0.415 596 P HA -0.196 nan 4.420 nan 0.000 0.215 596 P C 1.707 178.916 177.300 -0.151 0.000 1.157 596 P CA 1.875 64.876 63.100 -0.164 0.000 0.868 596 P CB -0.175 31.321 31.700 -0.340 0.000 0.788 597 F N 0.490 120.387 119.950 -0.088 0.000 2.031 597 F HA -0.131 4.424 4.527 0.047 0.000 0.295 597 F C 3.060 178.776 175.800 -0.140 0.000 1.133 597 F CA 1.536 59.471 58.000 -0.108 0.000 1.188 597 F CB -1.684 37.233 39.000 -0.137 0.000 0.974 597 F HN -0.103 nan 8.300 nan 0.000 0.473 598 Q N 0.201 120.030 119.800 0.049 0.000 2.152 598 Q HA -0.272 4.096 4.340 0.045 0.000 0.206 598 Q C 2.258 178.242 176.000 -0.026 0.000 0.985 598 Q CA 1.766 57.493 55.803 -0.128 0.000 0.863 598 Q CB -0.239 28.426 28.738 -0.122 0.000 0.904 598 Q HN 0.375 nan 8.270 nan 0.000 0.422 599 K N -0.173 120.287 120.400 0.101 0.000 2.026 599 K HA -0.159 4.188 4.320 0.045 0.000 0.208 599 K C 2.028 178.701 176.600 0.123 0.000 1.048 599 K CA 1.413 57.808 56.287 0.181 0.000 0.929 599 K CB -0.398 32.153 32.500 0.086 0.000 0.713 599 K HN 0.272 nan 8.250 nan 0.000 0.439 600 G N 1.252 110.072 108.800 0.034 0.000 2.514 600 G HA2 -0.335 3.652 3.960 0.045 0.000 0.217 600 G HA3 -0.335 3.652 3.960 0.045 0.000 0.217 600 G C 0.931 175.832 174.900 0.002 0.000 1.198 600 G CA 1.514 46.625 45.100 0.018 0.000 0.780 600 G HN 0.381 nan 8.290 nan 0.000 0.565 601 D N 0.625 120.973 120.400 -0.087 0.000 2.160 601 D HA -0.153 4.514 4.640 0.045 0.000 0.189 601 D C 2.171 178.332 176.300 -0.231 0.000 1.003 601 D CA 1.164 55.035 54.000 -0.216 0.000 0.846 601 D CB -0.515 40.024 40.800 -0.434 0.000 0.949 601 D HN 0.370 nan 8.370 nan 0.000 0.446 602 F N 0.860 120.813 119.950 0.004 0.000 2.293 602 F HA 0.013 4.567 4.527 0.044 0.000 0.300 602 F C 2.188 178.007 175.800 0.031 0.000 1.086 602 F CA 0.650 58.611 58.000 -0.064 0.000 1.375 602 F CB -0.296 38.745 39.000 0.069 0.000 1.045 602 F HN -0.097 nan 8.300 nan 0.000 0.516 603 K N 0.404 120.962 120.400 0.263 0.000 2.002 603 K HA -0.127 4.220 4.320 0.045 0.000 0.209 603 K C 2.437 179.129 176.600 0.153 0.000 1.048 603 K CA 1.299 57.729 56.287 0.238 0.000 0.930 603 K CB -0.676 31.910 32.500 0.143 0.000 0.714 603 K HN 0.224 nan 8.250 nan 0.000 0.438 604 A N 1.662 124.526 122.820 0.073 0.000 1.917 604 A HA -0.205 4.142 4.320 0.045 0.000 0.219 604 A C 2.181 179.777 177.584 0.020 0.000 1.182 604 A CA 1.708 53.767 52.037 0.036 0.000 0.633 604 A CB -0.441 18.562 19.000 0.006 0.000 0.819 604 A HN 0.177 nan 8.150 nan 0.000 0.448 605 M N -1.872 117.709 119.600 -0.033 0.000 2.159 605 M HA -0.113 4.394 4.480 0.045 0.000 0.263 605 M C 2.078 178.331 176.300 -0.079 0.000 1.063 605 M CA 1.409 56.651 55.300 -0.098 0.000 1.110 605 M CB -1.267 31.215 32.600 -0.198 0.000 1.374 605 M HN 0.556 nan 8.290 nan 0.000 0.411 606 Y N 0.727 121.087 120.300 0.099 0.000 2.263 606 Y HA -0.078 4.500 4.550 0.046 0.000 0.292 606 Y C 2.429 178.358 175.900 0.049 0.000 1.130 606 Y CA 0.893 59.038 58.100 0.074 0.000 1.179 606 Y CB -0.569 37.937 38.460 0.078 0.000 0.998 606 Y HN 0.145 nan 8.280 nan 0.000 0.532 607 K N -0.147 120.361 120.400 0.181 0.000 2.148 607 K HA -0.070 4.277 4.320 0.045 0.000 0.204 607 K C 2.227 178.875 176.600 0.079 0.000 1.050 607 K CA 1.084 57.436 56.287 0.109 0.000 0.942 607 K CB -0.479 32.067 32.500 0.078 0.000 0.724 607 K HN 0.306 nan 8.250 nan 0.000 0.446 608 A N 1.197 124.057 122.820 0.066 0.000 1.874 608 A HA -0.039 4.308 4.320 0.045 0.000 0.214 608 A C 2.222 179.834 177.584 0.047 0.000 1.189 608 A CA 0.814 52.876 52.037 0.041 0.000 0.615 608 A CB -0.519 18.492 19.000 0.018 0.000 0.830 608 A HN 0.152 nan 8.150 nan 0.000 0.443 609 L N -0.289 120.973 121.223 0.064 0.000 2.275 609 L HA -0.113 4.254 4.340 0.045 0.000 0.215 609 L C 0.237 177.152 176.870 0.075 0.000 1.119 609 L CA 0.863 55.745 54.840 0.070 0.000 0.790 609 L CB -0.671 41.446 42.059 0.096 0.000 0.919 609 L HN 0.505 nan 8.230 nan 0.000 0.443 610 E N -0.252 119.997 120.200 0.083 0.000 2.238 610 E HA -0.315 4.062 4.350 0.045 0.000 0.219 610 E C 1.136 177.770 176.600 0.056 0.000 1.275 610 E CA 0.153 56.591 56.400 0.063 0.000 0.714 610 E CB -1.880 27.846 29.700 0.043 0.000 1.154 610 E HN 0.676 nan 8.360 nan 0.000 0.363 611 G N 0.208 109.051 108.800 0.072 0.000 2.258 611 G HA2 -0.361 3.626 3.960 0.045 0.000 0.233 611 G HA3 -0.361 3.626 3.960 0.045 0.000 0.233 611 G C 0.327 175.261 174.900 0.055 0.000 1.006 611 G CA 0.106 45.237 45.100 0.052 0.000 0.620 611 G HN 0.302 nan 8.290 nan 0.000 0.511 612 R N 2.514 123.049 120.500 0.058 0.000 2.404 612 R HA 0.332 4.700 4.340 0.045 0.000 0.315 612 R C -1.998 174.332 176.300 0.050 0.000 1.032 612 R CA -0.843 55.281 56.100 0.039 0.000 0.992 612 R CB 0.314 30.631 30.300 0.028 0.000 0.959 612 R HN 0.292 nan 8.270 nan 0.000 0.428 613 P HA -0.140 nan 4.420 nan 0.000 0.263 613 P C -0.747 176.548 177.300 -0.008 0.000 1.175 613 P CA 0.580 63.684 63.100 0.007 0.000 0.761 613 P CB 0.676 32.341 31.700 -0.059 0.000 0.794 614 M N 2.563 122.190 119.600 0.044 0.000 2.124 614 M HA 0.228 4.735 4.480 0.045 0.000 0.280 614 M C -1.020 175.319 176.300 0.064 0.000 0.954 614 M CA -0.265 55.057 55.300 0.037 0.000 0.958 614 M CB 1.430 34.056 32.600 0.043 0.000 1.611 614 M HN 0.055 nan 8.290 nan 0.000 0.449 615 T N 4.323 118.895 114.554 0.030 0.000 2.743 615 T HA 0.275 4.652 4.350 0.045 0.000 0.290 615 T C -0.083 174.730 174.700 0.188 0.000 0.908 615 T CA -0.306 61.850 62.100 0.094 0.000 1.092 615 T CB -0.135 68.776 68.868 0.071 0.000 0.882 615 T HN 0.489 nan 8.240 nan 0.000 0.531 616 V N 5.483 125.537 119.914 0.234 0.000 2.408 616 V HA 0.282 4.430 4.120 0.045 0.000 0.267 616 V C 0.829 177.128 176.094 0.342 0.000 1.047 616 V CA -0.633 61.840 62.300 0.287 0.000 0.937 616 V CB 0.509 32.492 31.823 0.266 0.000 0.999 616 V HN 0.665 nan 8.190 nan 0.000 0.472 617 R N 4.127 124.824 120.500 0.328 0.000 2.221 617 R HA 0.272 4.639 4.340 0.045 0.000 0.327 617 R C -0.869 175.683 176.300 0.420 0.000 1.033 617 R CA -0.454 55.836 56.100 0.316 0.000 0.887 617 R CB 0.585 31.025 30.300 0.234 0.000 1.057 617 R HN 0.573 nan 8.270 nan 0.000 0.455 618 Y N 2.240 122.622 120.300 0.137 0.000 2.335 618 Y HA -0.037 4.538 4.550 0.043 0.000 0.348 618 Y C 0.850 176.798 175.900 0.079 0.000 1.280 618 Y CA -0.523 57.654 58.100 0.128 0.000 1.504 618 Y CB 0.216 38.739 38.460 0.105 0.000 1.366 618 Y HN 0.455 nan 8.280 nan 0.000 0.621 619 L N 2.137 123.424 121.223 0.107 0.000 2.706 619 L HA -0.173 4.194 4.340 0.045 0.000 0.282 619 L C 0.647 177.525 176.870 0.012 0.000 1.219 619 L CA 0.822 55.597 54.840 -0.110 0.000 0.935 619 L CB -0.292 41.513 42.059 -0.424 0.000 1.204 619 L HN 0.782 nan 8.230 nan 0.000 0.491 620 D N 4.887 125.305 120.400 0.030 0.000 2.490 620 D HA 0.178 4.845 4.640 0.045 0.000 0.244 620 D C -2.151 174.177 176.300 0.048 0.000 0.979 620 D CA 0.231 54.269 54.000 0.064 0.000 0.924 620 D CB -0.044 40.812 40.800 0.092 0.000 1.075 620 D HN 0.525 nan 8.370 nan 0.000 0.488 621 P HA 0.242 nan 4.420 nan 0.000 0.276 621 P C -2.729 174.571 177.300 0.001 0.000 1.261 621 P CA -1.196 61.907 63.100 0.006 0.000 0.800 621 P CB 0.690 32.365 31.700 -0.040 0.000 1.066 622 P HA 0.193 nan 4.420 nan 0.000 0.274 622 P C 1.072 178.384 177.300 0.019 0.000 1.231 622 P CA -0.074 63.020 63.100 -0.009 0.000 0.790 622 P CB 0.311 32.001 31.700 -0.017 0.000 0.951 623 L N 0.643 121.913 121.223 0.077 0.000 2.191 623 L HA -0.199 4.169 4.340 0.045 0.000 0.212 623 L C 2.388 179.351 176.870 0.155 0.000 1.103 623 L CA 1.220 56.167 54.840 0.177 0.000 0.769 623 L CB -1.000 41.102 42.059 0.072 0.000 0.908 623 L HN 0.616 nan 8.230 nan 0.000 0.438 624 H N 1.109 120.188 119.070 0.015 0.000 2.457 624 H HA -0.185 4.410 4.556 0.065 0.000 0.297 624 H C 1.784 177.152 175.328 0.066 0.000 1.092 624 H CA 1.487 57.572 56.048 0.062 0.000 1.309 624 H CB 0.243 30.046 29.762 0.068 0.000 1.382 624 H HN 0.467 nan 8.280 nan 0.000 0.535 625 E N -0.815 119.390 120.200 0.008 0.000 2.409 625 E HA -0.109 4.268 4.350 0.045 0.000 0.198 625 E C 0.690 177.082 176.600 -0.346 0.000 1.024 625 E CA 0.440 56.724 56.400 -0.193 0.000 0.861 625 E CB 0.098 29.517 29.700 -0.467 0.000 0.788 625 E HN 0.455 nan 8.360 nan 0.000 0.521 626 F N -0.854 119.168 119.950 0.120 0.000 2.706 626 F HA 0.088 4.648 4.527 0.054 0.000 0.308 626 F C 0.830 176.607 175.800 -0.040 0.000 1.095 626 F CA -0.460 57.570 58.000 0.051 0.000 1.244 626 F CB 0.128 39.085 39.000 -0.071 0.000 1.063 626 F HN -0.197 nan 8.300 nan 0.000 0.582 627 V N -0.737 119.156 119.914 -0.035 0.000 3.083 627 V HA 0.496 4.643 4.120 0.045 0.000 0.306 627 V C -2.356 173.465 176.094 -0.455 0.000 1.077 627 V CA -2.129 60.039 62.300 -0.220 0.000 1.073 627 V CB 0.721 32.356 31.823 -0.314 0.000 1.081 627 V HN -0.138 nan 8.190 nan 0.000 0.474 628 P HA 0.383 nan 4.420 nan 0.000 0.285 628 P C -1.017 175.979 177.300 -0.507 0.000 1.259 628 P CA -0.085 62.811 63.100 -0.341 0.000 0.794 628 P CB 0.603 32.214 31.700 -0.148 0.000 0.940 629 H N -0.491 118.555 119.070 -0.039 0.000 2.486 629 H HA 0.226 4.812 4.556 0.051 0.000 0.284 629 H C 0.230 175.549 175.328 -0.015 0.000 1.103 629 H CA -0.108 55.921 56.048 -0.031 0.000 1.089 629 H CB 0.096 29.858 29.762 -0.001 0.000 1.603 629 H HN 0.337 nan 8.280 nan 0.000 0.557 630 T N -1.657 112.920 114.554 0.039 0.000 2.930 630 T HA 0.101 4.478 4.350 0.045 0.000 0.313 630 T C 0.925 175.624 174.700 -0.002 0.000 1.019 630 T CA -0.968 61.148 62.100 0.027 0.000 1.004 630 T CB 1.368 70.253 68.868 0.028 0.000 0.987 630 T HN 0.512 nan 8.240 nan 0.000 0.456 631 E N 1.823 122.021 120.200 -0.003 0.000 2.448 631 E HA -0.265 4.112 4.350 0.045 0.000 0.203 631 E C 1.394 177.987 176.600 -0.012 0.000 1.046 631 E CA 0.985 57.377 56.400 -0.013 0.000 0.871 631 E CB 0.058 29.753 29.700 -0.009 0.000 0.790 631 E HN 0.787 nan 8.360 nan 0.000 0.545 632 E N 1.587 121.783 120.200 -0.007 0.000 2.072 632 E HA -0.208 4.170 4.350 0.045 0.000 0.190 632 E C 1.750 178.343 176.600 -0.011 0.000 0.982 632 E CA 1.071 57.467 56.400 -0.006 0.000 0.803 632 E CB 0.036 29.736 29.700 -0.001 0.000 0.755 632 E HN 0.478 nan 8.360 nan 0.000 0.453 633 E N -0.017 120.174 120.200 -0.014 0.000 2.158 633 E HA -0.115 4.262 4.350 0.045 0.000 0.191 633 E C 2.245 178.823 176.600 -0.035 0.000 0.982 633 E CA 0.463 56.850 56.400 -0.021 0.000 0.823 633 E CB 0.125 29.812 29.700 -0.022 0.000 0.766 633 E HN 0.374 nan 8.360 nan 0.000 0.468 634 Q N 0.029 119.803 119.800 -0.043 0.000 2.119 634 Q HA -0.087 4.280 4.340 0.045 0.000 0.201 634 Q C 2.075 178.053 176.000 -0.036 0.000 0.972 634 Q CA 1.233 57.005 55.803 -0.053 0.000 0.847 634 Q CB -0.067 28.637 28.738 -0.056 0.000 0.903 634 Q HN 0.148 nan 8.270 nan 0.000 0.433 635 A N 0.680 123.484 122.820 -0.026 0.000 2.119 635 A HA -0.141 4.206 4.320 0.045 0.000 0.216 635 A C 1.804 179.377 177.584 -0.018 0.000 1.152 635 A CA 1.051 53.076 52.037 -0.019 0.000 0.708 635 A CB -0.131 18.861 19.000 -0.014 0.000 0.805 635 A HN 0.248 nan 8.150 nan 0.000 0.460 636 E N -0.406 119.783 120.200 -0.019 0.000 2.046 636 E HA -0.100 4.277 4.350 0.045 0.000 0.190 636 E C 1.615 178.204 176.600 -0.019 0.000 0.982 636 E CA 0.919 57.309 56.400 -0.016 0.000 0.800 636 E CB -0.194 29.497 29.700 -0.015 0.000 0.756 636 E HN 0.422 nan 8.360 nan 0.000 0.449 637 L N -0.199 121.009 121.223 -0.025 0.000 2.622 637 L HA 0.191 4.558 4.340 0.045 0.000 0.233 637 L C 1.490 178.344 176.870 -0.027 0.000 1.156 637 L CA 1.132 55.955 54.840 -0.029 0.000 0.866 637 L CB -0.160 41.876 42.059 -0.039 0.000 0.980 637 L HN 0.154 nan 8.230 nan 0.000 0.448 638 A N -1.586 121.220 122.820 -0.023 0.000 2.195 638 A HA 0.102 4.450 4.320 0.045 0.000 0.210 638 A C 1.986 179.560 177.584 -0.015 0.000 1.165 638 A CA 0.410 52.436 52.037 -0.020 0.000 0.806 638 A CB -0.088 18.901 19.000 -0.018 0.000 0.847 638 A HN 0.295 nan 8.150 nan 0.000 0.482 639 K N -0.062 120.329 120.400 -0.014 0.000 2.365 639 K HA 0.182 4.529 4.320 0.045 0.000 0.195 639 K C 0.663 177.256 176.600 -0.012 0.000 1.079 639 K CA 0.318 56.598 56.287 -0.011 0.000 0.979 639 K CB 0.127 32.621 32.500 -0.010 0.000 0.929 639 K HN 0.260 nan 8.250 nan 0.000 0.523 640 N N 0.203 118.895 118.700 -0.014 0.000 2.362 640 N HA 0.107 4.874 4.740 0.045 0.000 0.204 640 N C 0.295 175.795 175.510 -0.016 0.000 1.166 640 N CA 0.480 53.521 53.050 -0.014 0.000 0.831 640 N CB 0.453 38.931 38.487 -0.016 0.000 1.008 640 N HN 0.197 nan 8.380 nan 0.000 0.472 641 M N -2.135 117.455 119.600 -0.016 0.000 2.227 641 M HA 0.122 4.629 4.480 0.045 0.000 0.422 641 M C 0.245 176.537 176.300 -0.014 0.000 0.947 641 M CA 0.002 55.292 55.300 -0.017 0.000 1.034 641 M CB 1.248 33.835 32.600 -0.021 0.000 2.060 641 M HN 0.009 nan 8.290 nan 0.000 0.689 642 G N 3.020 111.813 108.800 -0.011 0.000 2.367 642 G HA2 -0.211 3.777 3.960 0.045 0.000 0.295 642 G HA3 -0.211 3.777 3.960 0.045 0.000 0.295 642 G C -0.624 174.271 174.900 -0.010 0.000 1.019 642 G CA 0.427 45.522 45.100 -0.009 0.000 1.224 642 G HN 0.426 nan 8.290 nan 0.000 0.510 643 L N -1.058 120.158 121.223 -0.011 0.000 2.485 643 L HA 0.859 5.226 4.340 0.045 0.000 0.245 643 L C 0.560 177.423 176.870 -0.011 0.000 1.137 643 L CA -0.717 54.116 54.840 -0.011 0.000 0.954 643 L CB 1.929 43.979 42.059 -0.014 0.000 1.560 643 L HN 0.441 nan 8.230 nan 0.000 0.403 644 T N -2.169 112.379 114.554 -0.010 0.000 2.932 644 T HA 0.396 4.773 4.350 0.045 0.000 0.289 644 T C 0.476 175.168 174.700 -0.013 0.000 1.039 644 T CA -0.663 61.431 62.100 -0.010 0.000 1.024 644 T CB 1.840 70.704 68.868 -0.007 0.000 1.090 644 T HN 0.444 nan 8.240 nan 0.000 0.496 645 L N 2.411 123.627 121.223 -0.013 0.000 1.956 645 L HA 0.008 4.375 4.340 0.045 0.000 0.216 645 L C 2.887 179.748 176.870 -0.016 0.000 1.073 645 L CA 2.875 57.705 54.840 -0.016 0.000 0.762 645 L CB -1.559 40.492 42.059 -0.013 0.000 0.889 645 L HN 0.985 nan 8.230 nan 0.000 0.433 646 A N -0.287 122.527 122.820 -0.011 0.000 1.954 646 A HA -0.347 4.000 4.320 0.045 0.000 0.222 646 A C 2.109 179.688 177.584 -0.008 0.000 1.199 646 A CA 2.551 54.584 52.037 -0.008 0.000 0.657 646 A CB -1.001 17.997 19.000 -0.004 0.000 0.823 646 A HN 0.802 nan 8.150 nan 0.000 0.463 647 E N -0.810 119.385 120.200 -0.009 0.000 2.112 647 E HA -0.052 4.326 4.350 0.045 0.000 0.190 647 E C 1.806 178.397 176.600 -0.014 0.000 0.979 647 E CA 1.181 57.576 56.400 -0.008 0.000 0.814 647 E CB -0.550 29.146 29.700 -0.006 0.000 0.762 647 E HN 0.311 nan 8.360 nan 0.000 0.460 648 V N 2.011 121.912 119.914 -0.022 0.000 2.307 648 V HA -0.252 3.895 4.120 0.045 0.000 0.245 648 V C 2.609 178.679 176.094 -0.041 0.000 1.045 648 V CA 2.159 64.439 62.300 -0.034 0.000 1.024 648 V CB -0.586 31.212 31.823 -0.041 0.000 0.651 648 V HN 0.284 nan 8.190 nan 0.000 0.449 649 K N 0.355 120.735 120.400 -0.034 0.000 2.032 649 K HA -0.216 4.131 4.320 0.045 0.000 0.209 649 K C 2.179 178.768 176.600 -0.018 0.000 1.048 649 K CA 1.709 57.976 56.287 -0.032 0.000 0.927 649 K CB -0.374 32.112 32.500 -0.022 0.000 0.712 649 K HN 0.420 nan 8.250 nan 0.000 0.441 650 A N 1.286 124.101 122.820 -0.009 0.000 1.978 650 A HA -0.230 4.117 4.320 0.045 0.000 0.220 650 A C 1.992 179.581 177.584 0.009 0.000 1.170 650 A CA 2.056 54.095 52.037 0.003 0.000 0.636 650 A CB -0.436 18.567 19.000 0.005 0.000 0.810 650 A HN 0.358 nan 8.150 nan 0.000 0.448 651 K N -0.298 120.100 120.400 -0.003 0.000 1.991 651 K HA -0.010 4.337 4.320 0.045 0.000 0.207 651 K C 1.720 178.321 176.600 0.001 0.000 1.045 651 K CA 1.628 57.915 56.287 0.000 0.000 0.937 651 K CB -0.831 31.658 32.500 -0.018 0.000 0.720 651 K HN 0.103 nan 8.250 nan 0.000 0.438 652 V N 2.456 122.345 119.914 -0.042 0.000 2.222 652 V HA -0.360 3.787 4.120 0.045 0.000 0.252 652 V C 1.586 177.705 176.094 0.041 0.000 1.060 652 V CA 2.524 64.772 62.300 -0.086 0.000 1.027 652 V CB -0.672 31.062 31.823 -0.148 0.000 0.644 652 V HN 0.489 nan 8.190 nan 0.000 0.448 653 D N -0.814 119.619 120.400 0.055 0.000 2.389 653 D HA -0.190 4.477 4.640 0.045 0.000 0.221 653 D C 2.016 178.389 176.300 0.121 0.000 0.974 653 D CA 1.288 55.346 54.000 0.097 0.000 0.923 653 D CB -0.148 40.671 40.800 0.031 0.000 0.892 653 D HN 0.753 nan 8.370 nan 0.000 0.518 654 E N 0.153 120.413 120.200 0.100 0.000 2.318 654 E HA -0.009 4.368 4.350 0.045 0.000 0.193 654 E C 1.845 178.516 176.600 0.120 0.000 0.998 654 E CA 0.065 56.520 56.400 0.091 0.000 0.859 654 E CB 0.173 29.912 29.700 0.065 0.000 0.812 654 E HN 0.207 nan 8.360 nan 0.000 0.492 655 L N 0.265 121.597 121.223 0.180 0.000 2.477 655 L HA 0.111 4.478 4.340 0.045 0.000 0.220 655 L C 0.860 177.891 176.870 0.268 0.000 1.106 655 L CA -0.215 54.758 54.840 0.221 0.000 0.851 655 L CB -0.148 42.041 42.059 0.217 0.000 0.994 655 L HN 0.196 nan 8.230 nan 0.000 0.462 656 H N 2.142 121.377 119.070 0.275 0.000 3.157 656 H HA 0.026 4.619 4.556 0.062 0.000 0.299 656 H C -0.272 174.892 175.328 -0.274 0.000 0.961 656 H CA 0.434 56.421 56.048 -0.101 0.000 1.428 656 H CB 0.258 30.021 29.762 0.001 0.000 1.459 656 H HN 0.182 nan 8.280 nan 0.000 0.566 657 E N 4.205 123.815 120.200 -0.982 0.000 2.235 657 E HA 0.114 4.491 4.350 0.045 0.000 0.265 657 E C 0.211 176.329 176.600 -0.804 0.000 0.940 657 E CA -0.808 55.142 56.400 -0.750 0.000 0.819 657 E CB 1.021 30.522 29.700 -0.332 0.000 1.206 657 E HN 0.593 nan 8.360 nan 0.000 0.409 658 F N 0.612 120.375 119.950 -0.312 0.000 2.186 658 F HA -0.039 4.489 4.527 0.002 0.000 0.299 658 F C 1.034 176.758 175.800 -0.126 0.000 1.090 658 F CA 0.755 58.653 58.000 -0.170 0.000 1.307 658 F CB 0.193 39.148 39.000 -0.074 0.000 1.019 658 F HN 0.254 nan 8.300 nan 0.000 0.489 659 N N -0.037 118.699 118.700 0.059 0.000 2.690 659 N HA 0.160 4.927 4.740 0.045 0.000 0.255 659 N C -2.285 173.209 175.510 -0.027 0.000 1.195 659 N CA -0.901 52.162 53.050 0.021 0.000 0.790 659 N CB 1.518 40.037 38.487 0.053 0.000 1.216 659 N HN -0.127 nan 8.380 nan 0.000 0.528 660 P HA -0.139 nan 4.420 nan 0.000 0.217 660 P C 1.560 178.838 177.300 -0.037 0.000 1.148 660 P CA 1.010 64.057 63.100 -0.089 0.000 0.828 660 P CB 0.390 32.017 31.700 -0.122 0.000 0.783 661 M N -2.193 117.398 119.600 -0.016 0.000 2.557 661 M HA 0.010 4.518 4.480 0.045 0.000 0.259 661 M C 0.241 176.550 176.300 0.016 0.000 1.086 661 M CA 1.489 56.792 55.300 0.005 0.000 1.096 661 M CB -0.129 32.483 32.600 0.019 0.000 1.424 661 M HN -0.112 nan 8.290 nan 0.000 0.488 662 M N 0.690 120.298 119.600 0.015 0.000 3.093 662 M HA 0.339 4.846 4.480 0.045 0.000 0.336 662 M C -0.432 175.882 176.300 0.023 0.000 1.637 662 M CA -0.527 54.786 55.300 0.021 0.000 0.543 662 M CB 1.397 34.012 32.600 0.024 0.000 1.571 662 M HN 0.166 nan 8.290 nan 0.000 0.431 663 G N -1.191 107.627 108.800 0.029 0.000 2.976 663 G HA2 0.280 4.267 3.960 0.045 0.000 0.276 663 G HA3 0.280 4.267 3.960 0.045 0.000 0.276 663 G C -1.363 173.595 174.900 0.097 0.000 1.207 663 G CA -0.635 44.493 45.100 0.047 0.000 0.803 663 G HN 0.590 nan 8.290 nan 0.000 0.572 664 H N 1.010 120.074 119.070 -0.010 0.000 3.513 664 H HA 0.383 4.962 4.556 0.039 0.000 0.253 664 H C 0.462 175.803 175.328 0.021 0.000 1.514 664 H CA -0.059 55.987 56.048 -0.003 0.000 1.565 664 H CB -0.291 29.476 29.762 0.007 0.000 1.776 664 H HN 0.489 nan 8.280 nan 0.000 0.562 665 R N 2.370 122.962 120.500 0.152 0.000 2.734 665 R HA 0.521 4.889 4.340 0.045 0.000 0.271 665 R C -0.041 176.306 176.300 0.079 0.000 1.021 665 R CA -0.365 55.777 56.100 0.070 0.000 0.893 665 R CB 0.608 30.932 30.300 0.039 0.000 1.244 665 R HN 0.492 nan 8.270 nan 0.000 0.464 666 G N 0.576 109.413 108.800 0.062 0.000 2.598 666 G HA2 -0.441 3.546 3.960 0.045 0.000 0.269 666 G HA3 -0.441 3.546 3.960 0.045 0.000 0.269 666 G C 1.097 176.046 174.900 0.082 0.000 1.289 666 G CA 0.266 45.407 45.100 0.069 0.000 0.926 666 G HN 1.295 nan 8.290 nan 0.000 0.567 667 C N 0.528 119.870 119.300 0.069 0.000 2.404 667 C HA -0.275 4.213 4.460 0.045 0.000 0.272 667 C C 3.097 178.119 174.990 0.053 0.000 1.123 667 C CA 2.817 61.871 59.018 0.060 0.000 1.867 667 C CB -1.538 26.215 27.740 0.023 0.000 2.212 667 C HN 0.751 nan 8.230 nan 0.000 0.467 668 R N -0.203 120.332 120.500 0.059 0.000 2.115 668 R HA 0.001 4.368 4.340 0.045 0.000 0.230 668 R C 2.117 178.525 176.300 0.180 0.000 1.111 668 R CA 1.391 57.527 56.100 0.059 0.000 0.976 668 R CB -0.351 29.997 30.300 0.080 0.000 0.870 668 R HN 0.520 nan 8.270 nan 0.000 0.445 669 L N 0.365 121.706 121.223 0.197 0.000 2.072 669 L HA -0.023 4.344 4.340 0.045 0.000 0.205 669 L C 2.682 179.635 176.870 0.138 0.000 1.079 669 L CA 1.022 55.943 54.840 0.135 0.000 0.752 669 L CB -0.554 41.561 42.059 0.092 0.000 0.906 669 L HN 0.197 nan 8.230 nan 0.000 0.436 670 A N -0.436 122.468 122.820 0.141 0.000 2.024 670 A HA -0.139 4.208 4.320 0.045 0.000 0.220 670 A C 2.302 179.986 177.584 0.167 0.000 1.164 670 A CA 1.747 53.890 52.037 0.176 0.000 0.643 670 A CB -0.656 18.457 19.000 0.187 0.000 0.806 670 A HN 0.226 nan 8.150 nan 0.000 0.451 671 V N -0.112 119.826 119.914 0.040 0.000 2.379 671 V HA -0.164 3.983 4.120 0.045 0.000 0.243 671 V C 3.014 179.022 176.094 -0.143 0.000 1.035 671 V CA 2.277 64.495 62.300 -0.137 0.000 1.035 671 V CB -1.031 30.541 31.823 -0.417 0.000 0.673 671 V HN 0.820 nan 8.190 nan 0.000 0.457 672 T N -1.637 112.791 114.554 -0.211 0.000 2.821 672 T HA -0.172 4.206 4.350 0.045 0.000 0.267 672 T C 0.659 175.127 174.700 -0.387 0.000 1.046 672 T CA 1.281 63.139 62.100 -0.403 0.000 1.139 672 T CB -0.353 68.125 68.868 -0.650 0.000 0.871 672 T HN 0.396 nan 8.240 nan 0.000 0.454 673 Y N 1.408 121.786 120.300 0.130 0.000 2.837 673 Y HA 0.466 5.042 4.550 0.042 0.000 0.356 673 Y C -2.170 173.806 175.900 0.127 0.000 1.035 673 Y CA -3.686 54.478 58.100 0.106 0.000 1.165 673 Y CB 1.076 39.573 38.460 0.062 0.000 1.147 673 Y HN 0.100 nan 8.280 nan 0.000 0.628 674 P HA -0.216 nan 4.420 nan 0.000 0.213 674 P C 1.057 178.478 177.300 0.202 0.000 1.170 674 P CA 2.218 65.465 63.100 0.246 0.000 0.902 674 P CB 0.438 32.275 31.700 0.227 0.000 0.789 675 E N -0.462 119.844 120.200 0.176 0.000 2.335 675 E HA -0.277 4.100 4.350 0.045 0.000 0.236 675 E C 1.883 178.555 176.600 0.120 0.000 1.103 675 E CA 1.889 58.366 56.400 0.129 0.000 1.010 675 E CB -1.472 28.297 29.700 0.116 0.000 0.859 675 E HN 0.288 nan 8.360 nan 0.000 0.473 676 I N 0.844 121.502 120.570 0.146 0.000 2.099 676 I HA -0.327 3.870 4.170 0.045 0.000 0.239 676 I C 2.611 178.803 176.117 0.125 0.000 1.066 676 I CA 1.339 62.719 61.300 0.133 0.000 1.324 676 I CB -0.573 37.507 38.000 0.133 0.000 1.037 676 I HN 0.201 nan 8.210 nan 0.000 0.401 677 A N 0.633 123.563 122.820 0.183 0.000 1.972 677 A HA -0.221 4.126 4.320 0.045 0.000 0.219 677 A C 2.314 180.035 177.584 0.229 0.000 1.169 677 A CA 1.659 53.861 52.037 0.275 0.000 0.635 677 A CB -0.487 18.726 19.000 0.355 0.000 0.810 677 A HN 0.365 nan 8.150 nan 0.000 0.446 678 K N -1.109 119.386 120.400 0.157 0.000 2.026 678 K HA -0.110 4.238 4.320 0.045 0.000 0.208 678 K C 2.168 178.810 176.600 0.069 0.000 1.048 678 K CA 1.500 57.855 56.287 0.113 0.000 0.929 678 K CB -0.267 32.285 32.500 0.086 0.000 0.713 678 K HN 0.509 nan 8.250 nan 0.000 0.439 679 M N 1.341 120.968 119.600 0.045 0.000 2.229 679 M HA -0.190 4.317 4.480 0.045 0.000 0.264 679 M C 1.655 177.937 176.300 -0.030 0.000 1.063 679 M CA 1.758 57.063 55.300 0.009 0.000 1.114 679 M CB -0.209 32.396 32.600 0.007 0.000 1.387 679 M HN 0.173 nan 8.290 nan 0.000 0.420 680 Q N -1.033 118.704 119.800 -0.105 0.000 2.187 680 Q HA -0.082 4.286 4.340 0.045 0.000 0.199 680 Q C 1.773 177.665 176.000 -0.180 0.000 0.957 680 Q CA 1.874 57.502 55.803 -0.292 0.000 0.857 680 Q CB -0.195 27.983 28.738 -0.932 0.000 0.929 680 Q HN 0.524 nan 8.270 nan 0.000 0.453 681 T N 1.036 115.607 114.554 0.028 0.000 2.821 681 T HA -0.140 4.237 4.350 0.045 0.000 0.267 681 T C 1.756 176.477 174.700 0.035 0.000 1.046 681 T CA 1.196 63.392 62.100 0.159 0.000 1.139 681 T CB -0.088 68.905 68.868 0.208 0.000 0.871 681 T HN 0.245 nan 8.240 nan 0.000 0.454 682 R N 1.002 121.510 120.500 0.013 0.000 2.057 682 R HA 0.044 4.411 4.340 0.045 0.000 0.229 682 R C 2.704 179.002 176.300 -0.004 0.000 1.136 682 R CA 1.319 57.416 56.100 -0.005 0.000 0.952 682 R CB -0.558 29.742 30.300 0.000 0.000 0.848 682 R HN 0.321 nan 8.270 nan 0.000 0.430 683 A N 0.310 123.140 122.820 0.017 0.000 1.917 683 A HA -0.159 4.188 4.320 0.045 0.000 0.219 683 A C 2.261 179.875 177.584 0.049 0.000 1.182 683 A CA 1.958 54.053 52.037 0.098 0.000 0.633 683 A CB -0.666 18.466 19.000 0.220 0.000 0.819 683 A HN 0.268 nan 8.150 nan 0.000 0.448 684 V N -0.453 119.339 119.914 -0.204 0.000 2.323 684 V HA -0.224 3.923 4.120 0.045 0.000 0.244 684 V C 2.673 178.702 176.094 -0.108 0.000 1.041 684 V CA 1.833 63.907 62.300 -0.377 0.000 1.025 684 V CB -0.608 30.940 31.823 -0.458 0.000 0.656 684 V HN 0.480 nan 8.190 nan 0.000 0.451 685 M N -0.185 119.363 119.600 -0.087 0.000 2.059 685 M HA -0.169 4.338 4.480 0.045 0.000 0.259 685 M C 2.192 178.435 176.300 -0.095 0.000 1.072 685 M CA 1.688 56.922 55.300 -0.111 0.000 1.117 685 M CB -1.375 31.149 32.600 -0.127 0.000 1.320 685 M HN 0.398 nan 8.290 nan 0.000 0.408 686 E N 0.018 120.186 120.200 -0.052 0.000 2.130 686 E HA -0.175 4.202 4.350 0.045 0.000 0.196 686 E C 2.007 178.604 176.600 -0.005 0.000 0.998 686 E CA 1.400 57.781 56.400 -0.031 0.000 0.806 686 E CB -0.132 29.563 29.700 -0.008 0.000 0.738 686 E HN 0.520 nan 8.360 nan 0.000 0.459 687 A N 1.339 124.190 122.820 0.051 0.000 1.873 687 A HA -0.061 4.286 4.320 0.045 0.000 0.215 687 A C 2.362 179.964 177.584 0.031 0.000 1.186 687 A CA 1.572 53.690 52.037 0.136 0.000 0.616 687 A CB -0.592 18.619 19.000 0.352 0.000 0.823 687 A HN 0.296 nan 8.150 nan 0.000 0.442 688 A N 0.294 123.016 122.820 -0.164 0.000 1.845 688 A HA -0.091 4.256 4.320 0.045 0.000 0.215 688 A C 2.114 179.534 177.584 -0.274 0.000 1.195 688 A CA 1.514 53.236 52.037 -0.526 0.000 0.616 688 A CB -0.775 17.864 19.000 -0.602 0.000 0.832 688 A HN 0.478 nan 8.150 nan 0.000 0.443 689 I N -0.425 120.034 120.570 -0.185 0.000 2.074 689 I HA -0.378 3.819 4.170 0.045 0.000 0.238 689 I C 2.569 178.631 176.117 -0.092 0.000 1.037 689 I CA 2.249 63.471 61.300 -0.131 0.000 1.301 689 I CB -0.822 37.113 38.000 -0.107 0.000 1.016 689 I HN 0.467 nan 8.210 nan 0.000 0.400 690 E N 0.262 120.426 120.200 -0.060 0.000 2.086 690 E HA -0.230 4.147 4.350 0.045 0.000 0.200 690 E C 2.192 178.780 176.600 -0.020 0.000 1.012 690 E CA 1.874 58.257 56.400 -0.029 0.000 0.812 690 E CB -0.126 29.572 29.700 -0.004 0.000 0.743 690 E HN 0.353 nan 8.360 nan 0.000 0.453 691 V N 1.253 121.156 119.914 -0.019 0.000 2.453 691 V HA -0.179 3.968 4.120 0.045 0.000 0.247 691 V C 2.277 178.357 176.094 -0.024 0.000 1.048 691 V CA 1.238 63.540 62.300 0.005 0.000 1.049 691 V CB -0.404 31.452 31.823 0.055 0.000 0.672 691 V HN 0.155 nan 8.190 nan 0.000 0.457 692 K N 0.419 120.778 120.400 -0.068 0.000 2.209 692 K HA -0.193 4.154 4.320 0.045 0.000 0.204 692 K C 2.055 178.628 176.600 -0.044 0.000 1.048 692 K CA 1.519 57.766 56.287 -0.067 0.000 0.940 692 K CB 0.007 32.446 32.500 -0.103 0.000 0.729 692 K HN 0.606 nan 8.250 nan 0.000 0.451 693 E N 0.374 120.550 120.200 -0.041 0.000 2.076 693 E HA -0.115 4.262 4.350 0.045 0.000 0.190 693 E C 1.256 177.845 176.600 -0.018 0.000 0.979 693 E CA 0.857 57.239 56.400 -0.030 0.000 0.807 693 E CB 0.229 29.910 29.700 -0.031 0.000 0.761 693 E HN 0.431 nan 8.360 nan 0.000 0.454 694 E N -0.696 119.497 120.200 -0.011 0.000 2.479 694 E HA -0.017 4.360 4.350 0.045 0.000 0.193 694 E C 1.206 177.808 176.600 0.002 0.000 1.049 694 E CA 1.009 57.407 56.400 -0.002 0.000 0.870 694 E CB 0.663 30.365 29.700 0.004 0.000 0.944 694 E HN 0.187 nan 8.360 nan 0.000 0.492 695 T N -4.701 109.853 114.554 -0.000 0.000 3.010 695 T HA 0.339 4.716 4.350 0.045 0.000 0.253 695 T C 1.642 176.341 174.700 -0.002 0.000 0.939 695 T CA 0.524 62.627 62.100 0.004 0.000 0.910 695 T CB 0.598 69.474 68.868 0.013 0.000 1.226 695 T HN 0.258 nan 8.240 nan 0.000 0.508 696 G N 1.885 110.679 108.800 -0.010 0.000 2.245 696 G HA2 -0.240 3.747 3.960 0.045 0.000 0.264 696 G HA3 -0.240 3.747 3.960 0.045 0.000 0.264 696 G C 0.110 175.003 174.900 -0.011 0.000 0.985 696 G CA 0.281 45.373 45.100 -0.012 0.000 0.625 696 G HN 0.704 nan 8.290 nan 0.000 0.536 697 I N 1.911 122.477 120.570 -0.006 0.000 2.517 697 I HA 0.167 4.365 4.170 0.045 0.000 0.285 697 I C 0.680 176.788 176.117 -0.014 0.000 1.106 697 I CA -0.299 60.999 61.300 -0.002 0.000 1.402 697 I CB 0.577 38.583 38.000 0.010 0.000 1.399 697 I HN 0.184 nan 8.210 nan 0.000 0.535 698 D N 7.056 127.447 120.400 -0.014 0.000 2.455 698 D HA 0.224 4.892 4.640 0.045 0.000 0.241 698 D C -0.378 175.902 176.300 -0.033 0.000 1.138 698 D CA 0.457 54.441 54.000 -0.026 0.000 0.877 698 D CB 0.674 41.465 40.800 -0.015 0.000 1.187 698 D HN 0.227 nan 8.370 nan 0.000 0.451 699 I N 2.712 123.238 120.570 -0.072 0.000 2.797 699 I HA 0.388 4.585 4.170 0.045 0.000 0.307 699 I C -0.583 175.485 176.117 -0.081 0.000 1.033 699 I CA -1.109 60.129 61.300 -0.103 0.000 1.071 699 I CB 2.137 39.972 38.000 -0.276 0.000 1.255 699 I HN 0.129 nan 8.210 nan 0.000 0.445 700 V N 4.684 124.571 119.914 -0.044 0.000 2.658 700 V HA 0.198 4.345 4.120 0.045 0.000 0.259 700 V C -2.453 173.655 176.094 0.023 0.000 0.933 700 V CA -1.193 61.093 62.300 -0.024 0.000 0.871 700 V CB 0.958 32.783 31.823 0.004 0.000 1.062 700 V HN 0.582 nan 8.190 nan 0.000 0.479 701 P HA 0.186 nan 4.420 nan 0.000 0.267 701 P C -0.376 177.019 177.300 0.159 0.000 1.200 701 P CA 0.304 63.479 63.100 0.124 0.000 0.772 701 P CB 0.597 32.358 31.700 0.102 0.000 0.855 702 E N 2.343 122.656 120.200 0.190 0.000 2.220 702 E HA 0.359 4.736 4.350 0.045 0.000 0.256 702 E C -0.486 176.303 176.600 0.315 0.000 0.881 702 E CA -0.598 55.953 56.400 0.251 0.000 0.766 702 E CB 1.180 30.892 29.700 0.019 0.000 1.187 702 E HN 0.280 nan 8.360 nan 0.000 0.419 703 I N 2.959 123.706 120.570 0.295 0.000 2.396 703 I HA 0.331 4.528 4.170 0.045 0.000 0.292 703 I C -0.015 176.159 176.117 0.095 0.000 0.999 703 I CA -0.417 60.955 61.300 0.120 0.000 1.310 703 I CB 1.029 38.977 38.000 -0.088 0.000 1.404 703 I HN 0.617 nan 8.210 nan 0.000 0.496 704 M N 6.598 126.212 119.600 0.023 0.000 2.197 704 M HA 0.450 4.957 4.480 0.045 0.000 0.301 704 M C -1.233 174.990 176.300 -0.128 0.000 0.987 704 M CA -0.688 54.605 55.300 -0.011 0.000 0.921 704 M CB 1.459 34.206 32.600 0.245 0.000 1.569 704 M HN 0.237 nan 8.290 nan 0.000 0.431 705 I N 7.813 128.264 120.570 -0.199 0.000 2.337 705 I HA 0.356 4.553 4.170 0.045 0.000 0.291 705 I C -2.090 173.992 176.117 -0.060 0.000 1.046 705 I CA -2.567 58.651 61.300 -0.137 0.000 1.324 705 I CB 0.171 38.084 38.000 -0.145 0.000 1.409 705 I HN 0.477 nan 8.210 nan 0.000 0.494 706 P HA 0.183 nan 4.420 nan 0.000 0.281 706 P C 0.066 177.372 177.300 0.010 0.000 1.249 706 P CA -0.504 62.612 63.100 0.027 0.000 0.810 706 P CB 1.677 33.421 31.700 0.074 0.000 1.008 707 L N -0.180 121.045 121.223 0.002 0.000 3.737 707 L HA -0.187 4.180 4.340 0.045 0.000 0.418 707 L C 0.003 176.859 176.870 -0.024 0.000 1.216 707 L CA 0.713 55.550 54.840 -0.005 0.000 0.915 707 L CB -1.951 40.117 42.059 0.015 0.000 1.834 707 L HN 0.155 nan 8.230 nan 0.000 0.943 708 V N -0.568 119.316 119.914 -0.051 0.000 2.614 708 V HA 0.540 4.688 4.120 0.045 0.000 0.291 708 V C 1.420 177.472 176.094 -0.070 0.000 1.049 708 V CA 0.962 63.224 62.300 -0.063 0.000 1.038 708 V CB 1.367 33.136 31.823 -0.090 0.000 0.980 708 V HN 0.471 nan 8.190 nan 0.000 0.481 709 G N 3.150 111.916 108.800 -0.056 0.000 3.815 709 G HA2 0.429 4.416 3.960 0.045 0.000 0.265 709 G HA3 0.429 4.416 3.960 0.045 0.000 0.265 709 G C -0.122 174.750 174.900 -0.046 0.000 1.026 709 G CA 0.108 45.176 45.100 -0.053 0.000 0.868 709 G HN 0.633 nan 8.290 nan 0.000 0.476 710 E N 0.446 120.620 120.200 -0.043 0.000 2.397 710 E HA 0.234 4.611 4.350 0.045 0.000 0.293 710 E C 0.851 177.438 176.600 -0.021 0.000 0.930 710 E CA -0.756 55.626 56.400 -0.029 0.000 0.793 710 E CB 1.220 30.903 29.700 -0.028 0.000 1.259 710 E HN -0.039 nan 8.360 nan 0.000 0.406 711 K N 3.825 124.218 120.400 -0.011 0.000 2.032 711 K HA -0.251 4.096 4.320 0.045 0.000 0.218 711 K C 0.926 177.533 176.600 0.012 0.000 1.054 711 K CA 2.140 58.427 56.287 0.000 0.000 0.941 711 K CB -0.053 32.452 32.500 0.009 0.000 0.720 711 K HN 0.513 nan 8.250 nan 0.000 0.449 712 K N 0.394 120.804 120.400 0.017 0.000 2.211 712 K HA -0.210 4.137 4.320 0.045 0.000 0.204 712 K C 2.227 178.863 176.600 0.059 0.000 1.047 712 K CA 1.739 58.050 56.287 0.039 0.000 0.935 712 K CB -0.105 32.413 32.500 0.030 0.000 0.728 712 K HN 0.476 nan 8.250 nan 0.000 0.452 713 E N 1.056 121.269 120.200 0.022 0.000 2.106 713 E HA -0.184 4.193 4.350 0.045 0.000 0.192 713 E C 1.973 178.602 176.600 0.048 0.000 0.984 713 E CA 0.607 57.015 56.400 0.013 0.000 0.806 713 E CB 0.086 29.770 29.700 -0.026 0.000 0.750 713 E HN 0.138 nan 8.360 nan 0.000 0.458 714 L N 1.334 122.571 121.223 0.023 0.000 2.095 714 L HA -0.004 4.363 4.340 0.045 0.000 0.204 714 L C 2.243 179.134 176.870 0.035 0.000 1.080 714 L CA 1.839 56.684 54.840 0.008 0.000 0.759 714 L CB -0.633 41.404 42.059 -0.036 0.000 0.914 714 L HN -0.001 nan 8.230 nan 0.000 0.439 715 K N -0.889 119.536 120.400 0.042 0.000 1.987 715 K HA -0.311 4.036 4.320 0.045 0.000 0.216 715 K C 2.187 178.829 176.600 0.069 0.000 1.051 715 K CA 2.356 58.665 56.287 0.037 0.000 0.942 715 K CB -0.677 31.846 32.500 0.038 0.000 0.722 715 K HN 0.257 nan 8.250 nan 0.000 0.444 716 F N 1.272 121.213 119.950 -0.015 0.000 2.063 716 F HA -0.324 4.232 4.527 0.048 0.000 0.297 716 F C 1.862 177.663 175.800 0.002 0.000 1.099 716 F CA 2.039 60.036 58.000 -0.006 0.000 1.220 716 F CB -0.555 38.440 39.000 -0.008 0.000 0.972 716 F HN -0.088 nan 8.300 nan 0.000 0.487 717 V N 0.740 120.848 119.914 0.324 0.000 2.358 717 V HA -0.292 3.855 4.120 0.045 0.000 0.246 717 V C 2.455 178.578 176.094 0.048 0.000 1.047 717 V CA 2.165 64.592 62.300 0.210 0.000 1.035 717 V CB -0.869 31.063 31.823 0.182 0.000 0.658 717 V HN 0.392 nan 8.190 nan 0.000 0.452 718 K N 0.358 120.761 120.400 0.005 0.000 2.103 718 K HA -0.280 4.067 4.320 0.045 0.000 0.207 718 K C 1.654 178.234 176.600 -0.033 0.000 1.048 718 K CA 2.210 58.477 56.287 -0.034 0.000 0.930 718 K CB -0.319 32.149 32.500 -0.053 0.000 0.716 718 K HN 0.406 nan 8.250 nan 0.000 0.444 719 D N 0.236 120.594 120.400 -0.070 0.000 2.263 719 D HA -0.109 4.558 4.640 0.045 0.000 0.208 719 D C 1.696 177.935 176.300 -0.101 0.000 0.971 719 D CA 0.754 54.692 54.000 -0.104 0.000 0.867 719 D CB 0.196 40.885 40.800 -0.185 0.000 0.929 719 D HN 0.070 nan 8.370 nan 0.000 0.492 720 V N -0.364 119.496 119.914 -0.090 0.000 2.725 720 V HA -0.087 4.061 4.120 0.045 0.000 0.247 720 V C 2.294 178.415 176.094 0.045 0.000 1.058 720 V CA 0.607 62.886 62.300 -0.036 0.000 1.080 720 V CB 0.153 31.981 31.823 0.008 0.000 0.713 720 V HN 0.068 nan 8.190 nan 0.000 0.465 721 V N -0.725 119.231 119.914 0.070 0.000 2.302 721 V HA -0.138 4.010 4.120 0.045 0.000 0.243 721 V C 2.424 178.606 176.094 0.147 0.000 1.036 721 V CA 1.477 63.855 62.300 0.131 0.000 1.020 721 V CB -0.168 31.722 31.823 0.111 0.000 0.657 721 V HN 0.351 nan 8.190 nan 0.000 0.453 722 V N 0.149 120.143 119.914 0.134 0.000 2.380 722 V HA -0.332 3.815 4.120 0.045 0.000 0.251 722 V C 2.540 178.696 176.094 0.104 0.000 1.063 722 V CA 2.547 64.957 62.300 0.183 0.000 1.055 722 V CB -0.400 31.486 31.823 0.105 0.000 0.657 722 V HN 0.670 nan 8.190 nan 0.000 0.455 723 E N -0.714 119.515 120.200 0.049 0.000 2.107 723 E HA -0.148 4.230 4.350 0.045 0.000 0.191 723 E C 2.154 178.763 176.600 0.014 0.000 0.982 723 E CA 1.364 57.776 56.400 0.019 0.000 0.809 723 E CB 0.154 29.852 29.700 -0.004 0.000 0.756 723 E HN 0.483 nan 8.360 nan 0.000 0.459 724 V N 0.890 120.821 119.914 0.028 0.000 2.346 724 V HA -0.134 4.014 4.120 0.045 0.000 0.244 724 V C 2.388 178.475 176.094 -0.011 0.000 1.037 724 V CA 1.453 63.764 62.300 0.019 0.000 1.029 724 V CB -0.446 31.406 31.823 0.048 0.000 0.663 724 V HN 0.352 nan 8.190 nan 0.000 0.454 725 A N -0.189 122.628 122.820 -0.005 0.000 1.865 725 A HA -0.240 4.107 4.320 0.045 0.000 0.217 725 A C 2.170 179.643 177.584 -0.184 0.000 1.191 725 A CA 1.886 53.846 52.037 -0.128 0.000 0.623 725 A CB -0.559 18.362 19.000 -0.132 0.000 0.826 725 A HN 0.472 nan 8.150 nan 0.000 0.444 726 E N -0.692 119.449 120.200 -0.098 0.000 2.118 726 E HA -0.228 4.149 4.350 0.045 0.000 0.195 726 E C 2.116 178.677 176.600 -0.065 0.000 0.992 726 E CA 1.671 58.026 56.400 -0.076 0.000 0.804 726 E CB -0.308 29.389 29.700 -0.006 0.000 0.741 726 E HN 0.751 nan 8.360 nan 0.000 0.458 727 Q N 0.454 120.226 119.800 -0.047 0.000 1.994 727 Q HA -0.065 4.303 4.340 0.045 0.000 0.198 727 Q C 2.218 178.188 176.000 -0.050 0.000 0.976 727 Q CA 1.322 57.102 55.803 -0.038 0.000 0.828 727 Q CB -0.417 28.307 28.738 -0.023 0.000 0.894 727 Q HN 0.079 nan 8.270 nan 0.000 0.432 728 V N 1.425 121.302 119.914 -0.060 0.000 2.428 728 V HA -0.272 3.875 4.120 0.045 0.000 0.255 728 V C 0.851 176.898 176.094 -0.079 0.000 1.080 728 V CA 1.901 64.161 62.300 -0.067 0.000 1.083 728 V CB -0.722 31.053 31.823 -0.080 0.000 0.665 728 V HN 0.334 nan 8.190 nan 0.000 0.461 729 K N 1.710 122.052 120.400 -0.097 0.000 2.146 729 K HA 0.002 4.349 4.320 0.045 0.000 0.220 729 K C 0.990 177.553 176.600 -0.062 0.000 1.227 729 K CA 0.224 56.455 56.287 -0.093 0.000 1.185 729 K CB -0.276 32.157 32.500 -0.111 0.000 1.333 729 K HN 0.643 nan 8.250 nan 0.000 0.242 730 K N -0.438 119.929 120.400 -0.054 0.000 2.608 730 K HA 0.051 4.398 4.320 0.045 0.000 0.209 730 K C 0.006 176.583 176.600 -0.039 0.000 1.369 730 K CA -0.274 55.989 56.287 -0.040 0.000 1.029 730 K CB 0.532 33.011 32.500 -0.034 0.000 1.139 730 K HN 0.075 nan 8.250 nan 0.000 0.623 731 E N 2.582 122.754 120.200 -0.046 0.000 2.445 731 E HA 0.052 4.429 4.350 0.045 0.000 0.189 731 E C -0.472 176.102 176.600 -0.042 0.000 1.069 731 E CA 0.290 56.665 56.400 -0.042 0.000 0.871 731 E CB 0.106 29.777 29.700 -0.047 0.000 0.991 731 E HN 0.353 nan 8.360 nan 0.000 0.481 732 K N -1.743 118.631 120.400 -0.043 0.000 9.190 732 K HA -0.066 4.282 4.320 0.045 0.000 1.062 732 K C 0.347 176.918 176.600 -0.049 0.000 1.096 732 K CA 0.258 56.520 56.287 -0.041 0.000 0.796 732 K CB -0.945 31.530 32.500 -0.041 0.000 1.276 732 K HN 0.021 nan 8.250 nan 0.000 0.512 733 G N 1.236 110.011 108.800 -0.042 0.000 2.601 733 G HA2 -0.133 3.854 3.960 0.045 0.000 0.214 733 G HA3 -0.133 3.854 3.960 0.045 0.000 0.214 733 G C 0.283 175.147 174.900 -0.060 0.000 1.132 733 G CA 1.041 46.114 45.100 -0.045 0.000 0.761 733 G HN 1.057 nan 8.290 nan 0.000 0.550 734 S N 1.034 116.697 115.700 -0.062 0.000 3.798 734 S HA -0.172 4.325 4.470 0.045 0.000 0.351 734 S C 1.368 175.925 174.600 -0.072 0.000 0.789 734 S CA 0.665 58.820 58.200 -0.074 0.000 1.322 734 S CB -0.594 62.544 63.200 -0.103 0.000 1.663 734 S HN 0.755 nan 8.310 nan 0.000 0.521 735 D N 3.230 123.600 120.400 -0.050 0.000 2.389 735 D HA -0.178 4.489 4.640 0.045 0.000 0.221 735 D C 0.926 177.202 176.300 -0.040 0.000 0.974 735 D CA 0.363 54.342 54.000 -0.035 0.000 0.923 735 D CB -0.276 40.509 40.800 -0.025 0.000 0.892 735 D HN 0.781 nan 8.370 nan 0.000 0.518 736 M N 0.964 120.523 119.600 -0.069 0.000 2.286 736 M HA -0.108 4.399 4.480 0.045 0.000 0.365 736 M C 0.007 176.275 176.300 -0.052 0.000 1.443 736 M CA 0.441 55.693 55.300 -0.081 0.000 0.951 736 M CB 0.443 32.964 32.600 -0.131 0.000 1.961 736 M HN -0.126 nan 8.290 nan 0.000 0.468 737 Q N 3.962 123.754 119.800 -0.013 0.000 2.185 737 Q HA 0.542 4.909 4.340 0.045 0.000 0.225 737 Q C -1.260 174.810 176.000 0.117 0.000 0.983 737 Q CA -0.136 55.699 55.803 0.052 0.000 0.950 737 Q CB 1.511 30.226 28.738 -0.038 0.000 1.176 737 Q HN 0.725 nan 8.270 nan 0.000 0.510 738 Y N -2.832 117.261 120.300 -0.345 0.000 2.661 738 Y HA 0.414 4.991 4.550 0.045 0.000 0.339 738 Y C -1.709 173.946 175.900 -0.408 0.000 1.186 738 Y CA -1.173 56.729 58.100 -0.329 0.000 1.137 738 Y CB 0.468 38.850 38.460 -0.131 0.000 1.354 738 Y HN 0.556 nan 8.280 nan 0.000 0.469 739 H N 3.717 122.731 119.070 -0.092 0.000 2.547 739 H HA 0.536 5.119 4.556 0.045 0.000 0.342 739 H C -0.526 174.788 175.328 -0.023 0.000 1.048 739 H CA -0.757 55.231 56.048 -0.101 0.000 1.204 739 H CB 2.323 32.162 29.762 0.129 0.000 1.493 739 H HN 0.568 nan 8.280 nan 0.000 0.511 740 I N 2.330 122.846 120.570 -0.089 0.000 2.474 740 I HA 0.360 4.558 4.170 0.045 0.000 0.287 740 I C 1.145 177.115 176.117 -0.245 0.000 1.048 740 I CA 0.162 61.383 61.300 -0.131 0.000 1.383 740 I CB 0.980 38.875 38.000 -0.175 0.000 1.412 740 I HN 0.700 nan 8.210 nan 0.000 0.531 741 G N 3.576 112.020 108.800 -0.594 0.000 2.788 741 G HA2 0.643 4.630 3.960 0.045 0.000 0.293 741 G HA3 0.643 4.630 3.960 0.045 0.000 0.293 741 G C -1.217 173.184 174.900 -0.831 0.000 1.392 741 G CA -0.273 44.077 45.100 -1.250 0.000 0.810 741 G HN 0.602 nan 8.290 nan 0.000 0.508 742 T N -0.977 113.153 114.554 -0.706 0.000 2.787 742 T HA 0.595 4.972 4.350 0.045 0.000 0.297 742 T C -1.101 173.449 174.700 -0.250 0.000 1.221 742 T CA -0.627 61.259 62.100 -0.357 0.000 1.006 742 T CB 1.606 70.320 68.868 -0.257 0.000 1.328 742 T HN 0.339 nan 8.240 nan 0.000 0.509 743 M N 3.097 122.597 119.600 -0.166 0.000 2.088 743 M HA 0.393 4.901 4.480 0.045 0.000 0.346 743 M C -0.580 175.599 176.300 -0.202 0.000 1.111 743 M CA -0.736 54.491 55.300 -0.121 0.000 1.017 743 M CB 1.069 33.654 32.600 -0.025 0.000 1.568 743 M HN 0.474 nan 8.290 nan 0.000 0.445 744 I N 4.734 125.112 120.570 -0.319 0.000 2.270 744 I HA 0.048 4.245 4.170 0.045 0.000 0.300 744 I C 1.229 177.320 176.117 -0.043 0.000 1.186 744 I CA 0.555 61.663 61.300 -0.321 0.000 1.431 744 I CB -0.806 36.835 38.000 -0.597 0.000 1.485 744 I HN 0.692 nan 8.210 nan 0.000 0.650 745 E N 5.049 125.229 120.200 -0.033 0.000 2.759 745 E HA 0.302 4.679 4.350 0.045 0.000 0.220 745 E C -0.104 176.504 176.600 0.014 0.000 0.974 745 E CA -0.063 56.353 56.400 0.026 0.000 1.148 745 E CB 0.706 30.425 29.700 0.030 0.000 1.059 745 E HN 0.406 nan 8.360 nan 0.000 0.493 746 I N 1.965 122.528 120.570 -0.012 0.000 2.468 746 I HA 0.241 4.438 4.170 0.045 0.000 0.284 746 I C -2.028 174.078 176.117 -0.019 0.000 1.038 746 I CA -2.688 58.604 61.300 -0.013 0.000 1.083 746 I CB 2.224 40.209 38.000 -0.024 0.000 1.223 746 I HN -0.231 nan 8.210 nan 0.000 0.443 747 P HA -0.295 nan 4.420 nan 0.000 0.229 747 P C 1.557 178.846 177.300 -0.018 0.000 1.152 747 P CA 1.673 64.766 63.100 -0.012 0.000 0.915 747 P CB 0.064 31.753 31.700 -0.019 0.000 0.784 748 R N -0.993 119.491 120.500 -0.025 0.000 2.115 748 R HA -0.079 4.288 4.340 0.045 0.000 0.230 748 R C 2.149 178.425 176.300 -0.039 0.000 1.111 748 R CA 1.355 57.439 56.100 -0.027 0.000 0.976 748 R CB -0.696 29.586 30.300 -0.029 0.000 0.870 748 R HN 0.128 nan 8.270 nan 0.000 0.445 749 A N 0.572 123.354 122.820 -0.065 0.000 1.908 749 A HA -0.151 4.196 4.320 0.045 0.000 0.218 749 A C 2.281 179.789 177.584 -0.127 0.000 1.181 749 A CA 1.821 53.783 52.037 -0.125 0.000 0.627 749 A CB -0.695 18.198 19.000 -0.179 0.000 0.818 749 A HN 0.503 nan 8.150 nan 0.000 0.445 750 A N -0.639 122.147 122.820 -0.058 0.000 1.930 750 A HA 0.145 4.492 4.320 0.045 0.000 0.215 750 A C 2.077 179.686 177.584 0.042 0.000 1.176 750 A CA 1.189 53.236 52.037 0.018 0.000 0.632 750 A CB -0.475 18.572 19.000 0.077 0.000 0.819 750 A HN 0.449 nan 8.150 nan 0.000 0.445 751 L N -0.160 121.074 121.223 0.017 0.000 2.217 751 L HA -0.044 4.323 4.340 0.045 0.000 0.211 751 L C 1.752 178.638 176.870 0.025 0.000 1.107 751 L CA 1.495 56.347 54.840 0.021 0.000 0.783 751 L CB -0.250 41.812 42.059 0.004 0.000 0.919 751 L HN 0.568 nan 8.230 nan 0.000 0.442 752 T N -4.273 110.291 114.554 0.018 0.000 3.374 752 T HA 0.480 4.857 4.350 0.045 0.000 0.267 752 T C 1.153 175.883 174.700 0.051 0.000 0.996 752 T CA 0.153 62.268 62.100 0.025 0.000 0.977 752 T CB 0.795 69.667 68.868 0.006 0.000 1.149 752 T HN 0.108 nan 8.240 nan 0.000 0.517 753 A N 2.786 125.664 122.820 0.097 0.000 1.858 753 A HA -0.112 4.235 4.320 0.045 0.000 0.216 753 A C 2.191 179.929 177.584 0.257 0.000 1.190 753 A CA 1.885 54.064 52.037 0.237 0.000 0.617 753 A CB -0.759 18.468 19.000 0.378 0.000 0.827 753 A HN 0.741 nan 8.150 nan 0.000 0.443 754 D N 0.797 121.286 120.400 0.147 0.000 2.133 754 D HA -0.138 4.529 4.640 0.045 0.000 0.195 754 D C 1.773 178.115 176.300 0.071 0.000 0.997 754 D CA 1.796 55.847 54.000 0.085 0.000 0.840 754 D CB -0.879 39.951 40.800 0.051 0.000 0.947 754 D HN 0.440 nan 8.370 nan 0.000 0.452 755 A N 0.541 123.401 122.820 0.067 0.000 1.929 755 A HA -0.001 4.346 4.320 0.045 0.000 0.216 755 A C 2.403 180.021 177.584 0.057 0.000 1.176 755 A CA 0.797 52.861 52.037 0.046 0.000 0.628 755 A CB -0.400 18.618 19.000 0.030 0.000 0.816 755 A HN 0.199 nan 8.150 nan 0.000 0.444 756 I N -0.116 120.509 120.570 0.092 0.000 2.353 756 I HA -0.167 4.030 4.170 0.045 0.000 0.248 756 I C 2.910 179.129 176.117 0.170 0.000 1.119 756 I CA 1.275 62.635 61.300 0.100 0.000 1.417 756 I CB -1.392 36.636 38.000 0.047 0.000 1.078 756 I HN 0.358 nan 8.210 nan 0.000 0.421 757 A N 0.752 123.707 122.820 0.224 0.000 1.948 757 A HA -0.248 4.099 4.320 0.045 0.000 0.220 757 A C 2.205 179.795 177.584 0.008 0.000 1.177 757 A CA 1.739 53.818 52.037 0.070 0.000 0.636 757 A CB -0.619 18.340 19.000 -0.069 0.000 0.815 757 A HN 0.450 nan 8.150 nan 0.000 0.449 758 E N -0.596 119.615 120.200 0.018 0.000 2.048 758 E HA -0.228 4.149 4.350 0.045 0.000 0.202 758 E C 2.129 178.725 176.600 -0.008 0.000 1.021 758 E CA 1.640 58.040 56.400 -0.000 0.000 0.825 758 E CB -0.107 29.597 29.700 0.006 0.000 0.756 758 E HN 0.567 nan 8.360 nan 0.000 0.454 759 E N 0.043 120.242 120.200 -0.002 0.000 2.076 759 E HA 0.022 4.399 4.350 0.045 0.000 0.190 759 E C 0.479 177.054 176.600 -0.042 0.000 0.979 759 E CA 0.442 56.830 56.400 -0.020 0.000 0.807 759 E CB -0.127 29.562 29.700 -0.018 0.000 0.761 759 E HN 0.150 nan 8.360 nan 0.000 0.454 760 A N 1.448 124.250 122.820 -0.029 0.000 2.401 760 A HA 0.108 4.455 4.320 0.045 0.000 0.259 760 A C 0.654 178.196 177.584 -0.070 0.000 1.103 760 A CA -0.092 51.902 52.037 -0.071 0.000 0.789 760 A CB 0.291 19.285 19.000 -0.009 0.000 1.035 760 A HN 0.031 nan 8.150 nan 0.000 0.491 761 E N 0.366 120.509 120.200 -0.095 0.000 2.474 761 E HA 0.227 4.604 4.350 0.045 0.000 0.194 761 E C -0.924 175.727 176.600 0.085 0.000 1.041 761 E CA 0.292 56.682 56.400 -0.016 0.000 0.874 761 E CB 0.128 29.863 29.700 0.059 0.000 0.914 761 E HN 0.679 nan 8.360 nan 0.000 0.498 762 F N -1.909 118.023 119.950 -0.030 0.000 2.690 762 F HA 0.427 4.981 4.527 0.045 0.000 0.311 762 F C -1.685 174.218 175.800 0.172 0.000 1.111 762 F CA -1.561 56.432 58.000 -0.011 0.000 1.003 762 F CB 0.570 39.570 39.000 0.000 0.000 1.283 762 F HN -0.376 nan 8.300 nan 0.000 0.442 763 F N 2.215 122.184 119.950 0.033 0.000 2.408 763 F HA 0.654 5.211 4.527 0.050 0.000 0.344 763 F C 0.333 176.031 175.800 -0.170 0.000 1.112 763 F CA -1.385 56.477 58.000 -0.231 0.000 1.096 763 F CB 1.787 40.520 39.000 -0.444 0.000 1.129 763 F HN 0.662 nan 8.300 nan 0.000 0.486 764 S N 4.815 120.477 115.700 -0.063 0.000 2.774 764 S HA 0.514 5.011 4.470 0.045 0.000 0.297 764 S C -0.987 173.553 174.600 -0.100 0.000 1.143 764 S CA -0.469 57.758 58.200 0.044 0.000 1.090 764 S CB -0.277 63.093 63.200 0.282 0.000 1.019 764 S HN 0.266 nan 8.310 nan 0.000 0.482 765 F N 3.192 123.209 119.950 0.112 0.000 2.494 765 F HA 0.321 4.873 4.527 0.042 0.000 0.369 765 F C 1.545 177.382 175.800 0.063 0.000 1.098 765 F CA -0.222 57.818 58.000 0.066 0.000 1.154 765 F CB 0.521 39.568 39.000 0.078 0.000 1.103 765 F HN 0.670 nan 8.300 nan 0.000 0.549 766 G N 2.135 111.045 108.800 0.184 0.000 3.209 766 G HA2 0.204 4.191 3.960 0.045 0.000 0.274 766 G HA3 0.204 4.191 3.960 0.045 0.000 0.274 766 G C 1.040 175.991 174.900 0.085 0.000 0.850 766 G CA -0.145 45.026 45.100 0.119 0.000 1.907 766 G HN 0.750 nan 8.290 nan 0.000 0.591 767 T N -0.152 114.435 114.554 0.055 0.000 2.803 767 T HA -0.232 4.145 4.350 0.045 0.000 0.269 767 T C 1.951 176.533 174.700 -0.195 0.000 1.052 767 T CA 1.332 63.385 62.100 -0.079 0.000 1.136 767 T CB -0.126 68.646 68.868 -0.160 0.000 0.864 767 T HN 0.402 nan 8.240 nan 0.000 0.467 768 N N 1.718 120.321 118.700 -0.162 0.000 2.013 768 N HA -0.148 4.619 4.740 0.045 0.000 0.195 768 N C 1.665 177.228 175.510 0.087 0.000 1.051 768 N CA 1.989 55.020 53.050 -0.032 0.000 0.851 768 N CB -0.285 38.213 38.487 0.018 0.000 1.044 768 N HN 0.279 nan 8.380 nan 0.000 0.422 769 D N -0.015 120.426 120.400 0.067 0.000 2.097 769 D HA -0.140 4.527 4.640 0.045 0.000 0.195 769 D C 1.958 178.306 176.300 0.078 0.000 0.989 769 D CA 0.568 54.619 54.000 0.084 0.000 0.827 769 D CB -0.604 40.232 40.800 0.059 0.000 0.966 769 D HN 0.236 nan 8.370 nan 0.000 0.456 770 L N 0.769 122.026 121.223 0.056 0.000 2.197 770 L HA -0.168 4.199 4.340 0.045 0.000 0.215 770 L C 2.005 178.904 176.870 0.049 0.000 1.095 770 L CA 1.654 56.525 54.840 0.051 0.000 0.764 770 L CB -0.689 41.411 42.059 0.067 0.000 0.897 770 L HN -0.061 nan 8.230 nan 0.000 0.436 771 T N -1.290 113.299 114.554 0.058 0.000 3.043 771 T HA -0.076 4.301 4.350 0.045 0.000 0.263 771 T C 1.741 176.488 174.700 0.079 0.000 1.094 771 T CA 1.127 63.267 62.100 0.068 0.000 1.127 771 T CB 0.061 68.920 68.868 -0.015 0.000 0.905 771 T HN 0.528 nan 8.240 nan 0.000 0.490 772 Q N 0.127 120.020 119.800 0.155 0.000 2.123 772 Q HA 0.121 4.488 4.340 0.045 0.000 0.196 772 Q C 2.310 178.352 176.000 0.070 0.000 0.958 772 Q CA 0.836 56.753 55.803 0.190 0.000 0.841 772 Q CB -0.057 28.835 28.738 0.256 0.000 0.915 772 Q HN 0.414 nan 8.270 nan 0.000 0.455 773 M N 0.093 119.724 119.600 0.052 0.000 2.229 773 M HA -0.070 4.437 4.480 0.045 0.000 0.264 773 M C 1.901 178.185 176.300 -0.027 0.000 1.063 773 M CA 1.284 56.594 55.300 0.016 0.000 1.114 773 M CB -0.892 31.717 32.600 0.014 0.000 1.387 773 M HN 0.158 nan 8.290 nan 0.000 0.420 774 T N 0.375 114.909 114.554 -0.033 0.000 2.770 774 T HA -0.033 4.345 4.350 0.045 0.000 0.263 774 T C 1.564 176.133 174.700 -0.218 0.000 1.039 774 T CA 1.165 63.204 62.100 -0.103 0.000 1.142 774 T CB -0.299 68.522 68.868 -0.079 0.000 0.868 774 T HN 0.163 nan 8.240 nan 0.000 0.435 775 F N 0.976 120.684 119.950 -0.403 0.000 2.456 775 F HA 0.276 4.825 4.527 0.036 0.000 0.298 775 F C 2.078 177.527 175.800 -0.586 0.000 1.104 775 F CA 0.523 58.114 58.000 -0.682 0.000 1.435 775 F CB -0.299 37.789 39.000 -1.520 0.000 1.078 775 F HN 0.366 nan 8.300 nan 0.000 0.546 776 G N 0.354 109.040 108.800 -0.190 0.000 2.143 776 G HA2 -0.298 3.689 3.960 0.045 0.000 0.249 776 G HA3 -0.298 3.689 3.960 0.045 0.000 0.249 776 G C -0.004 174.981 174.900 0.142 0.000 0.981 776 G CA 0.257 45.339 45.100 -0.030 0.000 0.665 776 G HN 0.332 nan 8.290 nan 0.000 0.528 777 F N 0.481 120.580 119.950 0.247 0.000 2.540 777 F HA 0.818 5.359 4.527 0.024 0.000 0.317 777 F C 0.099 176.061 175.800 0.270 0.000 1.104 777 F CA -2.661 55.502 58.000 0.273 0.000 0.913 777 F CB 0.925 40.173 39.000 0.413 0.000 1.170 777 F HN 0.483 nan 8.300 nan 0.000 0.450 778 S N 3.092 119.063 115.700 0.452 0.000 2.481 778 S HA 0.216 4.713 4.470 0.045 0.000 0.276 778 S C 1.255 175.911 174.600 0.094 0.000 1.247 778 S CA -0.482 57.864 58.200 0.243 0.000 1.053 778 S CB 0.861 64.126 63.200 0.109 0.000 0.925 778 S HN 0.979 nan 8.310 nan 0.000 0.491 779 R N 2.659 123.102 120.500 -0.095 0.000 2.140 779 R HA -0.220 4.147 4.340 0.045 0.000 0.250 779 R C 1.076 177.139 176.300 -0.395 0.000 1.150 779 R CA 2.430 58.139 56.100 -0.652 0.000 0.966 779 R CB -0.593 28.970 30.300 -1.228 0.000 0.869 779 R HN 0.818 nan 8.270 nan 0.000 0.445 780 D N -0.402 119.851 120.400 -0.246 0.000 2.265 780 D HA -0.122 4.545 4.640 0.045 0.000 0.208 780 D C 0.491 176.698 176.300 -0.156 0.000 0.977 780 D CA 1.258 55.148 54.000 -0.184 0.000 0.871 780 D CB 0.126 40.853 40.800 -0.122 0.000 0.925 780 D HN 0.301 nan 8.370 nan 0.000 0.485 781 D N -1.510 118.807 120.400 -0.137 0.000 2.503 781 D HA 0.218 4.885 4.640 0.045 0.000 0.218 781 D C 1.347 177.502 176.300 -0.242 0.000 1.183 781 D CA 0.031 53.963 54.000 -0.114 0.000 0.827 781 D CB 0.742 41.540 40.800 -0.004 0.000 1.034 781 D HN 0.111 nan 8.370 nan 0.000 0.510 782 A N 1.002 123.541 122.820 -0.469 0.000 1.855 782 A HA 0.108 4.455 4.320 0.045 0.000 0.213 782 A C 2.306 179.147 177.584 -1.237 0.000 1.195 782 A CA 1.666 52.992 52.037 -1.185 0.000 0.610 782 A CB -1.097 17.318 19.000 -0.975 0.000 0.837 782 A HN 0.225 nan 8.150 nan 0.000 0.444 783 G N 1.169 109.587 108.800 -0.637 0.000 2.596 783 G HA2 -0.412 3.576 3.960 0.045 0.000 0.223 783 G HA3 -0.412 3.576 3.960 0.045 0.000 0.223 783 G C 1.529 176.224 174.900 -0.342 0.000 1.120 783 G CA 1.594 46.450 45.100 -0.406 0.000 0.752 783 G HN 0.784 nan 8.290 nan 0.000 0.596 784 K N 0.126 120.338 120.400 -0.314 0.000 2.442 784 K HA -0.001 4.346 4.320 0.045 0.000 0.198 784 K C 1.732 178.304 176.600 -0.048 0.000 1.044 784 K CA 1.596 57.801 56.287 -0.136 0.000 0.948 784 K CB -0.283 32.181 32.500 -0.061 0.000 0.762 784 K HN 0.613 nan 8.250 nan 0.000 0.472 785 F N -2.737 117.145 119.950 -0.112 0.000 2.856 785 F HA 0.294 4.838 4.527 0.029 0.000 0.338 785 F C 1.250 176.935 175.800 -0.191 0.000 1.005 785 F CA -0.849 57.081 58.000 -0.116 0.000 1.155 785 F CB -0.320 38.587 39.000 -0.154 0.000 1.010 785 F HN -0.246 nan 8.300 nan 0.000 0.587 786 L N 2.074 122.966 121.223 -0.553 0.000 1.997 786 L HA -0.235 4.132 4.340 0.045 0.000 0.216 786 L C 2.125 178.824 176.870 -0.285 0.000 1.074 786 L CA 2.341 56.901 54.840 -0.467 0.000 0.763 786 L CB -1.398 40.386 42.059 -0.457 0.000 0.890 786 L HN 0.351 nan 8.230 nan 0.000 0.434 787 D N -1.353 119.048 120.400 0.002 0.000 2.133 787 D HA -0.172 4.495 4.640 0.045 0.000 0.195 787 D C 2.090 178.500 176.300 0.182 0.000 0.997 787 D CA 1.463 55.608 54.000 0.242 0.000 0.840 787 D CB 0.104 41.008 40.800 0.173 0.000 0.947 787 D HN 0.295 nan 8.370 nan 0.000 0.452 788 S N -1.091 114.702 115.700 0.155 0.000 2.474 788 S HA -0.117 4.380 4.470 0.045 0.000 0.235 788 S C 1.351 176.028 174.600 0.129 0.000 0.997 788 S CA 0.340 58.631 58.200 0.152 0.000 0.949 788 S CB -0.265 63.041 63.200 0.177 0.000 0.766 788 S HN 0.375 nan 8.310 nan 0.000 0.517 789 Y N 0.031 120.239 120.300 -0.152 0.000 2.314 789 Y HA 0.082 4.664 4.550 0.053 0.000 0.294 789 Y C 1.837 177.635 175.900 -0.170 0.000 1.119 789 Y CA -0.008 57.930 58.100 -0.269 0.000 1.179 789 Y CB -0.607 37.584 38.460 -0.448 0.000 1.025 789 Y HN 0.264 nan 8.280 nan 0.000 0.541 790 Y N -0.262 120.158 120.300 0.200 0.000 2.220 790 Y HA -0.108 4.470 4.550 0.046 0.000 0.291 790 Y C 2.289 178.205 175.900 0.028 0.000 1.129 790 Y CA 0.803 58.969 58.100 0.110 0.000 1.161 790 Y CB -0.712 37.795 38.460 0.079 0.000 0.997 790 Y HN -0.097 nan 8.280 nan 0.000 0.522 791 K N 0.159 120.673 120.400 0.189 0.000 2.032 791 K HA -0.122 4.225 4.320 0.045 0.000 0.209 791 K C 2.066 178.679 176.600 0.020 0.000 1.048 791 K CA 1.317 57.656 56.287 0.085 0.000 0.927 791 K CB -0.398 32.146 32.500 0.074 0.000 0.712 791 K HN 0.254 nan 8.250 nan 0.000 0.441 792 A N 0.896 123.705 122.820 -0.019 0.000 2.252 792 A HA -0.035 4.312 4.320 0.045 0.000 0.207 792 A C 0.329 177.859 177.584 -0.091 0.000 1.194 792 A CA 0.617 52.604 52.037 -0.084 0.000 0.809 792 A CB -0.351 18.546 19.000 -0.172 0.000 0.814 792 A HN 0.362 nan 8.150 nan 0.000 0.482 793 K N -2.224 118.156 120.400 -0.033 0.000 3.274 793 K HA -0.241 4.106 4.320 0.045 0.000 0.305 793 K C 0.717 177.296 176.600 -0.036 0.000 1.225 793 K CA 1.224 57.501 56.287 -0.017 0.000 0.904 793 K CB -1.842 30.625 32.500 -0.054 0.000 1.227 793 K HN 0.612 nan 8.250 nan 0.000 0.453 794 I N -0.295 120.194 120.570 -0.136 0.000 2.361 794 I HA -0.207 3.991 4.170 0.045 0.000 0.251 794 I C 0.539 176.620 176.117 -0.061 0.000 1.133 794 I CA 1.101 62.253 61.300 -0.247 0.000 1.413 794 I CB -0.028 37.574 38.000 -0.663 0.000 1.073 794 I HN 0.090 nan 8.210 nan 0.000 0.424 795 Y N 0.171 120.518 120.300 0.079 0.000 2.361 795 Y HA 0.274 4.849 4.550 0.041 0.000 0.337 795 Y C 0.924 176.945 175.900 0.202 0.000 0.965 795 Y CA -1.683 56.502 58.100 0.141 0.000 1.091 795 Y CB 1.255 39.758 38.460 0.071 0.000 1.182 795 Y HN -0.043 nan 8.280 nan 0.000 0.450 796 E N 1.040 121.420 120.200 0.300 0.000 2.216 796 E HA 0.138 4.516 4.350 0.045 0.000 0.192 796 E C -0.209 176.457 176.600 0.110 0.000 0.973 796 E CA 0.512 56.997 56.400 0.142 0.000 0.851 796 E CB 0.591 30.308 29.700 0.028 0.000 0.804 796 E HN 0.382 nan 8.360 nan 0.000 0.477 797 S N 0.164 115.939 115.700 0.125 0.000 2.595 797 S HA 0.160 4.657 4.470 0.045 0.000 0.281 797 S C -1.111 173.523 174.600 0.056 0.000 1.117 797 S CA -0.858 57.358 58.200 0.027 0.000 0.873 797 S CB 2.169 65.331 63.200 -0.065 0.000 1.108 797 S HN 0.047 nan 8.310 nan 0.000 0.477 798 D N 2.642 123.047 120.400 0.010 0.000 2.336 798 D HA 0.203 4.870 4.640 0.045 0.000 0.249 798 D C -1.357 174.842 176.300 -0.169 0.000 1.213 798 D CA -1.909 52.097 54.000 0.010 0.000 0.870 798 D CB 1.342 42.169 40.800 0.044 0.000 1.076 798 D HN 0.110 nan 8.370 nan 0.000 0.483 799 P HA -0.155 nan 4.420 nan 0.000 0.218 799 P C 1.324 178.482 177.300 -0.237 0.000 1.148 799 P CA 0.779 63.580 63.100 -0.499 0.000 0.822 799 P CB 0.002 31.076 31.700 -1.044 0.000 0.784 800 F N 0.019 119.984 119.950 0.025 0.000 2.604 800 F HA 0.095 4.644 4.527 0.037 0.000 0.298 800 F C 2.416 178.341 175.800 0.208 0.000 1.131 800 F CA 0.955 59.048 58.000 0.155 0.000 1.457 800 F CB -0.842 38.174 39.000 0.027 0.000 1.095 800 F HN 0.031 nan 8.300 nan 0.000 0.574 801 A N -1.067 121.872 122.820 0.199 0.000 2.141 801 A HA 0.297 4.644 4.320 0.045 0.000 0.201 801 A C 0.982 178.492 177.584 -0.123 0.000 1.344 801 A CA -0.205 51.889 52.037 0.096 0.000 0.971 801 A CB 0.325 19.356 19.000 0.051 0.000 1.035 801 A HN 0.093 nan 8.150 nan 0.000 0.480 802 R N 0.724 121.069 120.500 -0.258 0.000 2.358 802 R HA 0.381 4.748 4.340 0.045 0.000 0.309 802 R C -1.167 174.805 176.300 -0.546 0.000 1.026 802 R CA -0.792 55.089 56.100 -0.365 0.000 0.909 802 R CB 1.107 31.286 30.300 -0.202 0.000 1.153 802 R HN 0.318 nan 8.270 nan 0.000 0.515 803 L N 3.726 124.411 121.223 -0.898 0.000 2.776 803 L HA -0.118 4.249 4.340 0.045 0.000 0.283 803 L C -0.212 176.484 176.870 -0.291 0.000 1.194 803 L CA 0.743 55.219 54.840 -0.607 0.000 0.947 803 L CB -0.079 41.788 42.059 -0.321 0.000 1.255 803 L HN 0.488 nan 8.230 nan 0.000 0.481 804 D N 4.058 124.381 120.400 -0.128 0.000 2.382 804 D HA 0.023 4.690 4.640 0.045 0.000 0.259 804 D C 0.721 176.899 176.300 -0.203 0.000 1.224 804 D CA 0.409 54.372 54.000 -0.061 0.000 0.894 804 D CB 0.808 41.749 40.800 0.235 0.000 1.127 804 D HN 0.732 nan 8.370 nan 0.000 0.487 805 Q N 1.863 121.496 119.800 -0.278 0.000 2.204 805 Q HA -0.031 4.336 4.340 0.045 0.000 0.198 805 Q C 1.569 177.411 176.000 -0.263 0.000 0.946 805 Q CA 0.757 56.271 55.803 -0.482 0.000 0.859 805 Q CB 0.289 28.744 28.738 -0.471 0.000 0.946 805 Q HN 0.500 nan 8.270 nan 0.000 0.474 806 T N 0.072 114.549 114.554 -0.127 0.000 2.962 806 T HA -0.061 4.316 4.350 0.045 0.000 0.270 806 T C 1.220 175.871 174.700 -0.082 0.000 1.088 806 T CA 1.183 63.244 62.100 -0.066 0.000 1.127 806 T CB -0.059 68.789 68.868 -0.033 0.000 0.883 806 T HN 0.481 nan 8.240 nan 0.000 0.493 807 G N 0.318 109.046 108.800 -0.118 0.000 2.534 807 G HA2 0.091 4.078 3.960 0.045 0.000 0.220 807 G HA3 0.091 4.078 3.960 0.045 0.000 0.220 807 G C 1.398 176.225 174.900 -0.120 0.000 1.699 807 G CA 0.250 45.261 45.100 -0.148 0.000 0.769 807 G HN 0.258 nan 8.290 nan 0.000 0.632 808 V N 2.319 122.172 119.914 -0.102 0.000 2.527 808 V HA -0.132 4.015 4.120 0.045 0.000 0.255 808 V C 3.017 179.050 176.094 -0.102 0.000 1.081 808 V CA 2.098 64.360 62.300 -0.063 0.000 1.092 808 V CB -1.171 30.658 31.823 0.011 0.000 0.673 808 V HN 0.472 nan 8.190 nan 0.000 0.470 809 G N -1.186 107.494 108.800 -0.200 0.000 2.422 809 G HA2 -0.233 3.754 3.960 0.045 0.000 0.218 809 G HA3 -0.233 3.754 3.960 0.045 0.000 0.218 809 G C 1.499 176.467 174.900 0.113 0.000 1.140 809 G CA 0.636 45.594 45.100 -0.236 0.000 0.775 809 G HN 0.552 nan 8.290 nan 0.000 0.545 810 Q N -0.387 119.434 119.800 0.035 0.000 2.083 810 Q HA 0.115 4.482 4.340 0.045 0.000 0.198 810 Q C 2.634 178.662 176.000 0.047 0.000 0.969 810 Q CA 0.621 56.458 55.803 0.057 0.000 0.838 810 Q CB -0.207 28.540 28.738 0.014 0.000 0.900 810 Q HN 0.418 nan 8.270 nan 0.000 0.436 811 L N -0.067 121.166 121.223 0.018 0.000 2.042 811 L HA -0.198 4.169 4.340 0.045 0.000 0.210 811 L C 2.323 179.220 176.870 0.045 0.000 1.076 811 L CA 0.845 55.703 54.840 0.030 0.000 0.749 811 L CB -0.452 41.615 42.059 0.014 0.000 0.893 811 L HN 0.119 nan 8.230 nan 0.000 0.432 812 V N -0.058 119.833 119.914 -0.039 0.000 2.358 812 V HA -0.282 3.865 4.120 0.045 0.000 0.246 812 V C 2.418 178.433 176.094 -0.132 0.000 1.047 812 V CA 2.069 64.191 62.300 -0.297 0.000 1.035 812 V CB -0.401 31.249 31.823 -0.289 0.000 0.658 812 V HN 0.524 nan 8.190 nan 0.000 0.452 813 E N -0.537 119.679 120.200 0.027 0.000 2.285 813 E HA -0.180 4.197 4.350 0.045 0.000 0.194 813 E C 2.181 178.820 176.600 0.066 0.000 0.997 813 E CA 0.922 57.334 56.400 0.020 0.000 0.845 813 E CB -0.065 29.655 29.700 0.034 0.000 0.782 813 E HN 0.577 nan 8.360 nan 0.000 0.491 814 M N -0.006 119.648 119.600 0.090 0.000 2.193 814 M HA -0.011 4.496 4.480 0.045 0.000 0.265 814 M C 2.240 178.648 176.300 0.180 0.000 1.071 814 M CA 1.418 56.781 55.300 0.104 0.000 1.140 814 M CB -0.040 32.608 32.600 0.081 0.000 1.369 814 M HN 0.248 nan 8.290 nan 0.000 0.423 815 A N 0.045 123.025 122.820 0.267 0.000 1.883 815 A HA -0.136 4.211 4.320 0.045 0.000 0.217 815 A C 2.006 179.927 177.584 0.561 0.000 1.186 815 A CA 2.041 54.341 52.037 0.439 0.000 0.624 815 A CB -1.209 18.109 19.000 0.529 0.000 0.822 815 A HN 0.416 nan 8.150 nan 0.000 0.444 816 V N 0.485 120.692 119.914 0.488 0.000 2.233 816 V HA -0.299 3.849 4.120 0.045 0.000 0.247 816 V C 2.544 178.715 176.094 0.128 0.000 1.050 816 V CA 2.320 64.799 62.300 0.299 0.000 1.010 816 V CB -0.800 31.145 31.823 0.204 0.000 0.637 816 V HN 0.507 nan 8.190 nan 0.000 0.444 817 K N 0.614 121.073 120.400 0.098 0.000 1.975 817 K HA -0.259 4.088 4.320 0.045 0.000 0.225 817 K C 2.226 178.859 176.600 0.054 0.000 1.050 817 K CA 2.192 58.509 56.287 0.050 0.000 0.992 817 K CB -0.556 31.971 32.500 0.044 0.000 0.738 817 K HN 0.422 nan 8.250 nan 0.000 0.446 818 K N -0.735 119.718 120.400 0.089 0.000 2.089 818 K HA -0.181 4.166 4.320 0.045 0.000 0.210 818 K C 2.151 178.805 176.600 0.089 0.000 1.048 818 K CA 1.578 57.919 56.287 0.091 0.000 0.926 818 K CB -0.427 32.145 32.500 0.120 0.000 0.714 818 K HN 0.433 nan 8.250 nan 0.000 0.448 819 G N 0.908 109.787 108.800 0.132 0.000 2.443 819 G HA2 -0.218 3.770 3.960 0.045 0.000 0.219 819 G HA3 -0.218 3.770 3.960 0.045 0.000 0.219 819 G C 1.422 176.188 174.900 -0.223 0.000 1.131 819 G CA 0.284 45.344 45.100 -0.067 0.000 0.775 819 G HN 0.257 nan 8.290 nan 0.000 0.547 820 R N -0.292 120.132 120.500 -0.127 0.000 2.280 820 R HA 0.130 4.497 4.340 0.045 0.000 0.195 820 R C 2.502 178.762 176.300 -0.067 0.000 0.935 820 R CA 0.119 56.148 56.100 -0.118 0.000 1.033 820 R CB 0.038 30.283 30.300 -0.093 0.000 0.964 820 R HN 0.432 nan 8.270 nan 0.000 0.489 821 Q N 0.031 119.809 119.800 -0.037 0.000 2.079 821 Q HA -0.111 4.256 4.340 0.045 0.000 0.200 821 Q C 1.748 177.731 176.000 -0.028 0.000 0.974 821 Q CA 2.017 57.807 55.803 -0.022 0.000 0.840 821 Q CB -0.031 28.705 28.738 -0.003 0.000 0.898 821 Q HN 0.340 nan 8.270 nan 0.000 0.430 822 T N -2.388 112.146 114.554 -0.033 0.000 3.065 822 T HA 0.111 4.488 4.350 0.045 0.000 0.252 822 T C 0.882 175.548 174.700 -0.056 0.000 1.099 822 T CA -0.117 61.963 62.100 -0.033 0.000 1.063 822 T CB 0.294 69.153 68.868 -0.015 0.000 0.948 822 T HN 0.025 nan 8.240 nan 0.000 0.506 823 R N 1.033 121.479 120.500 -0.089 0.000 2.855 823 R HA 0.305 4.673 4.340 0.045 0.000 0.261 823 R C -2.703 173.528 176.300 -0.115 0.000 1.826 823 R CA -1.519 54.517 56.100 -0.106 0.000 1.435 823 R CB 1.007 31.220 30.300 -0.145 0.000 1.383 823 R HN -0.000 nan 8.270 nan 0.000 0.583 824 P HA -0.152 nan 4.420 nan 0.000 0.218 824 P C 0.976 178.228 177.300 -0.080 0.000 1.147 824 P CA 1.746 64.803 63.100 -0.072 0.000 0.827 824 P CB 0.327 31.997 31.700 -0.049 0.000 0.778 825 G N -1.115 107.633 108.800 -0.086 0.000 2.603 825 G HA2 -0.062 3.925 3.960 0.045 0.000 0.214 825 G HA3 -0.062 3.925 3.960 0.045 0.000 0.214 825 G C 0.370 175.204 174.900 -0.111 0.000 1.140 825 G CA -0.253 44.797 45.100 -0.084 0.000 0.800 825 G HN 0.237 nan 8.290 nan 0.000 0.533 826 L N 1.672 122.801 121.223 -0.158 0.000 3.049 826 L HA -0.057 4.311 4.340 0.045 0.000 0.302 826 L C 0.300 177.072 176.870 -0.163 0.000 0.961 826 L CA -0.186 54.520 54.840 -0.224 0.000 1.022 826 L CB -0.759 41.043 42.059 -0.429 0.000 1.553 826 L HN -0.057 nan 8.230 nan 0.000 0.439 827 K N 3.697 124.047 120.400 -0.084 0.000 2.355 827 K HA 0.349 4.696 4.320 0.045 0.000 0.270 827 K C -0.351 176.242 176.600 -0.011 0.000 1.003 827 K CA 0.184 56.452 56.287 -0.032 0.000 0.957 827 K CB 0.497 33.000 32.500 0.005 0.000 0.939 827 K HN 0.709 nan 8.250 nan 0.000 0.482 828 C N 1.257 120.525 119.300 -0.053 0.000 2.698 828 C HA 0.870 5.357 4.460 0.045 0.000 0.309 828 C C 0.340 175.150 174.990 -0.299 0.000 1.186 828 C CA -0.759 58.238 59.018 -0.034 0.000 1.474 828 C CB 1.482 29.299 27.740 0.127 0.000 2.020 828 C HN 0.891 nan 8.230 nan 0.000 0.474 829 G N 0.757 109.431 108.800 -0.211 0.000 2.766 829 G HA2 0.842 4.829 3.960 0.045 0.000 0.288 829 G HA3 0.842 4.829 3.960 0.045 0.000 0.288 829 G C -1.878 173.122 174.900 0.167 0.000 1.408 829 G CA -0.387 44.459 45.100 -0.423 0.000 0.852 829 G HN 0.855 nan 8.290 nan 0.000 0.487 830 I N -1.486 119.207 120.570 0.204 0.000 2.865 830 I HA 0.704 4.901 4.170 0.045 0.000 0.302 830 I C -0.794 175.486 176.117 0.271 0.000 1.140 830 I CA -0.620 60.861 61.300 0.303 0.000 1.021 830 I CB 1.980 40.136 38.000 0.261 0.000 1.233 830 I HN 0.640 nan 8.210 nan 0.000 0.427 831 C N 3.327 122.768 119.300 0.234 0.000 3.235 831 C HA 0.949 5.436 4.460 0.045 0.000 0.351 831 C C 0.769 175.848 174.990 0.148 0.000 1.520 831 C CA 0.570 59.703 59.018 0.192 0.000 1.474 831 C CB 0.824 28.668 27.740 0.174 0.000 2.019 831 C HN 1.186 nan 8.230 nan 0.000 0.446 832 G N 0.876 109.750 108.800 0.124 0.000 2.575 832 G HA2 -0.225 3.762 3.960 0.045 0.000 0.267 832 G HA3 -0.225 3.762 3.960 0.045 0.000 0.267 832 G C 0.607 175.587 174.900 0.132 0.000 1.264 832 G CA 0.803 45.962 45.100 0.100 0.000 0.935 832 G HN 0.821 nan 8.290 nan 0.000 0.568 833 E N -0.716 119.573 120.200 0.148 0.000 2.031 833 E HA -0.134 4.243 4.350 0.045 0.000 0.193 833 E C 2.076 178.844 176.600 0.280 0.000 0.994 833 E CA 1.230 57.754 56.400 0.207 0.000 0.800 833 E CB -0.252 29.595 29.700 0.245 0.000 0.752 833 E HN 0.685 nan 8.360 nan 0.000 0.447 834 H N -0.746 118.378 119.070 0.090 0.000 2.472 834 H HA -0.139 4.446 4.556 0.048 0.000 0.296 834 H C 2.123 177.511 175.328 0.100 0.000 1.120 834 H CA 0.478 56.574 56.048 0.080 0.000 1.250 834 H CB -0.168 29.635 29.762 0.069 0.000 1.366 834 H HN 0.253 nan 8.280 nan 0.000 0.524 835 G N -0.077 108.871 108.800 0.247 0.000 2.471 835 G HA2 -0.147 3.841 3.960 0.045 0.000 0.219 835 G HA3 -0.147 3.841 3.960 0.045 0.000 0.219 835 G C 1.704 176.704 174.900 0.167 0.000 1.125 835 G CA 0.688 45.910 45.100 0.202 0.000 0.775 835 G HN 0.463 nan 8.290 nan 0.000 0.548 836 G N -0.619 108.271 108.800 0.151 0.000 3.126 836 G HA2 0.230 4.217 3.960 0.045 0.000 0.224 836 G HA3 0.230 4.217 3.960 0.045 0.000 0.224 836 G C -0.262 174.699 174.900 0.102 0.000 1.142 836 G CA 0.024 45.199 45.100 0.125 0.000 0.759 836 G HN 0.370 nan 8.290 nan 0.000 0.550 837 D N 0.167 120.621 120.400 0.090 0.000 2.313 837 D HA 0.367 5.034 4.640 0.045 0.000 0.239 837 D C -1.196 175.135 176.300 0.053 0.000 1.142 837 D CA -2.076 51.953 54.000 0.049 0.000 0.847 837 D CB 1.978 42.773 40.800 -0.007 0.000 1.082 837 D HN -0.132 nan 8.370 nan 0.000 0.480 838 P HA -0.223 nan 4.420 nan 0.000 0.217 838 P C 1.189 178.523 177.300 0.056 0.000 1.158 838 P CA 1.095 64.229 63.100 0.057 0.000 0.887 838 P CB 0.251 31.980 31.700 0.048 0.000 0.792 839 S N -1.285 114.435 115.700 0.033 0.000 2.356 839 S HA -0.128 4.370 4.470 0.045 0.000 0.223 839 S C 2.026 176.665 174.600 0.065 0.000 1.032 839 S CA 1.732 59.953 58.200 0.035 0.000 1.005 839 S CB -0.877 62.317 63.200 -0.009 0.000 0.867 839 S HN 0.166 nan 8.310 nan 0.000 0.449 840 S N 1.325 117.045 115.700 0.033 0.000 2.354 840 S HA -0.111 4.387 4.470 0.045 0.000 0.219 840 S C 2.013 176.714 174.600 0.170 0.000 1.035 840 S CA 1.469 59.714 58.200 0.076 0.000 1.037 840 S CB -0.812 62.401 63.200 0.023 0.000 0.956 840 S HN 0.366 nan 8.310 nan 0.000 0.428 841 V N 2.156 122.153 119.914 0.138 0.000 2.418 841 V HA -0.301 3.847 4.120 0.045 0.000 0.258 841 V C 2.461 178.653 176.094 0.163 0.000 1.088 841 V CA 2.305 64.694 62.300 0.150 0.000 1.091 841 V CB -0.794 31.104 31.823 0.124 0.000 0.669 841 V HN 0.549 nan 8.190 nan 0.000 0.461 842 E N -0.606 119.686 120.200 0.155 0.000 2.051 842 E HA -0.199 4.178 4.350 0.045 0.000 0.189 842 E C 2.086 178.806 176.600 0.199 0.000 0.979 842 E CA 1.078 57.571 56.400 0.155 0.000 0.803 842 E CB -0.190 29.579 29.700 0.117 0.000 0.761 842 E HN 0.547 nan 8.360 nan 0.000 0.451 843 F N 1.381 121.371 119.950 0.065 0.000 2.065 843 F HA -0.325 4.231 4.527 0.047 0.000 0.298 843 F C 2.269 178.088 175.800 0.032 0.000 1.112 843 F CA 1.808 59.831 58.000 0.039 0.000 1.212 843 F CB -0.639 38.366 39.000 0.007 0.000 0.975 843 F HN 0.176 nan 8.300 nan 0.000 0.476 844 C N -0.042 119.322 119.300 0.107 0.000 2.413 844 C HA -0.255 4.233 4.460 0.045 0.000 0.277 844 C C 2.680 177.633 174.990 -0.061 0.000 1.228 844 C CA 1.709 60.730 59.018 0.005 0.000 1.731 844 C CB -1.793 26.024 27.740 0.128 0.000 2.042 844 C HN 0.756 nan 8.230 nan 0.000 0.468 845 H N 1.406 120.457 119.070 -0.031 0.000 2.289 845 H HA -0.175 4.408 4.556 0.045 0.000 0.296 845 H C 2.111 177.389 175.328 -0.083 0.000 1.091 845 H CA 2.273 58.303 56.048 -0.029 0.000 1.274 845 H CB -0.203 29.564 29.762 0.009 0.000 1.364 845 H HN 0.435 nan 8.280 nan 0.000 0.490 846 K N -0.382 119.922 120.400 -0.160 0.000 2.097 846 K HA -0.060 4.287 4.320 0.045 0.000 0.205 846 K C 2.337 178.736 176.600 -0.335 0.000 1.050 846 K CA 1.208 57.358 56.287 -0.228 0.000 0.938 846 K CB 0.026 32.475 32.500 -0.085 0.000 0.718 846 K HN 0.152 nan 8.250 nan 0.000 0.442 847 V N -0.209 119.424 119.914 -0.468 0.000 2.453 847 V HA -0.090 4.058 4.120 0.045 0.000 0.247 847 V C 1.625 177.564 176.094 -0.258 0.000 1.048 847 V CA 2.023 64.047 62.300 -0.460 0.000 1.049 847 V CB 0.150 31.541 31.823 -0.721 0.000 0.672 847 V HN 0.712 nan 8.190 nan 0.000 0.457 848 G N -2.001 106.666 108.800 -0.221 0.000 3.272 848 G HA2 -0.076 3.911 3.960 0.045 0.000 0.219 848 G HA3 -0.076 3.911 3.960 0.045 0.000 0.219 848 G C 0.145 174.999 174.900 -0.076 0.000 0.952 848 G CA -0.308 44.710 45.100 -0.137 0.000 0.833 848 G HN 0.252 nan 8.290 nan 0.000 0.608 849 L N 0.407 121.599 121.223 -0.052 0.000 2.477 849 L HA 0.094 4.461 4.340 0.045 0.000 0.289 849 L C 1.566 178.401 176.870 -0.058 0.000 1.279 849 L CA 0.848 55.678 54.840 -0.017 0.000 0.825 849 L CB 0.121 42.181 42.059 0.002 0.000 1.085 849 L HN 0.180 nan 8.230 nan 0.000 0.548 850 N N -1.263 117.365 118.700 -0.120 0.000 2.499 850 N HA 0.061 4.829 4.740 0.045 0.000 0.182 850 N C -0.822 174.717 175.510 0.049 0.000 1.034 850 N CA 0.326 53.348 53.050 -0.047 0.000 0.882 850 N CB 0.363 38.835 38.487 -0.025 0.000 1.125 850 N HN 0.556 nan 8.380 nan 0.000 0.436 851 Y N -2.394 117.960 120.300 0.089 0.000 2.677 851 Y HA 0.775 5.351 4.550 0.044 0.000 0.334 851 Y C -1.235 174.737 175.900 0.120 0.000 1.154 851 Y CA -1.647 56.508 58.100 0.091 0.000 1.070 851 Y CB 0.696 39.195 38.460 0.065 0.000 1.294 851 Y HN -0.356 nan 8.280 nan 0.000 0.475 852 V N 1.084 121.248 119.914 0.417 0.000 2.735 852 V HA 0.701 4.848 4.120 0.045 0.000 0.310 852 V C -0.738 175.567 176.094 0.351 0.000 1.061 852 V CA -0.665 61.830 62.300 0.324 0.000 0.913 852 V CB 1.564 33.517 31.823 0.218 0.000 1.005 852 V HN 0.855 nan 8.190 nan 0.000 0.428 853 S N 2.351 118.236 115.700 0.309 0.000 2.521 853 S HA 0.861 5.358 4.470 0.045 0.000 0.295 853 S C -0.618 174.086 174.600 0.174 0.000 1.098 853 S CA -0.366 57.968 58.200 0.224 0.000 0.999 853 S CB 1.059 64.396 63.200 0.228 0.000 1.034 853 S HN 1.221 nan 8.310 nan 0.000 0.483 854 C N 1.559 120.938 119.300 0.133 0.000 3.318 854 C HA 0.793 5.280 4.460 0.045 0.000 0.322 854 C C 0.445 175.482 174.990 0.078 0.000 1.398 854 C CA -0.946 58.140 59.018 0.114 0.000 1.339 854 C CB 0.529 28.342 27.740 0.123 0.000 1.668 854 C HN 0.702 nan 8.230 nan 0.000 0.462 855 S N 2.837 118.573 115.700 0.059 0.000 2.553 855 S HA 0.143 4.641 4.470 0.045 0.000 0.271 855 S C -1.015 173.582 174.600 -0.004 0.000 1.362 855 S CA 0.328 58.533 58.200 0.009 0.000 1.010 855 S CB 0.344 63.543 63.200 -0.002 0.000 0.865 855 S HN 0.836 nan 8.310 nan 0.000 0.543 856 P HA -0.118 nan 4.420 nan 0.000 0.215 856 P C 1.032 178.354 177.300 0.037 0.000 1.157 856 P CA 1.470 64.508 63.100 -0.104 0.000 0.868 856 P CB -0.088 31.443 31.700 -0.282 0.000 0.788 857 F N 0.174 120.138 119.950 0.025 0.000 2.604 857 F HA 0.030 4.585 4.527 0.046 0.000 0.298 857 F C 2.249 178.069 175.800 0.032 0.000 1.131 857 F CA 0.464 58.474 58.000 0.017 0.000 1.457 857 F CB -1.030 37.972 39.000 0.004 0.000 1.095 857 F HN -0.110 nan 8.300 nan 0.000 0.574 858 R N -0.716 119.911 120.500 0.211 0.000 2.359 858 R HA 0.121 4.488 4.340 0.045 0.000 0.231 858 R C 1.821 178.215 176.300 0.156 0.000 0.913 858 R CA 0.014 56.211 56.100 0.162 0.000 1.075 858 R CB 0.065 30.444 30.300 0.131 0.000 1.087 858 R HN 0.113 nan 8.270 nan 0.000 0.515 859 V N 1.562 121.575 119.914 0.167 0.000 2.392 859 V HA -0.161 3.986 4.120 0.045 0.000 0.249 859 V C -0.919 175.283 176.094 0.180 0.000 1.059 859 V CA 1.801 64.196 62.300 0.158 0.000 1.051 859 V CB -0.971 30.943 31.823 0.151 0.000 0.658 859 V HN 0.205 nan 8.190 nan 0.000 0.455 860 P HA -0.082 nan 4.420 nan 0.000 0.217 860 P C 1.865 179.295 177.300 0.216 0.000 1.150 860 P CA 1.394 64.680 63.100 0.309 0.000 0.832 860 P CB -0.009 31.971 31.700 0.466 0.000 0.787 861 I N -0.910 119.764 120.570 0.173 0.000 2.315 861 I HA -0.212 3.985 4.170 0.045 0.000 0.248 861 I C 2.220 178.410 176.117 0.121 0.000 1.117 861 I CA 1.295 62.675 61.300 0.133 0.000 1.404 861 I CB -0.644 37.423 38.000 0.111 0.000 1.071 861 I HN -0.071 nan 8.210 nan 0.000 0.419 862 A N 1.097 123.994 122.820 0.128 0.000 1.873 862 A HA -0.175 4.172 4.320 0.045 0.000 0.215 862 A C 2.372 180.025 177.584 0.115 0.000 1.186 862 A CA 1.270 53.381 52.037 0.123 0.000 0.616 862 A CB -0.488 18.591 19.000 0.133 0.000 0.823 862 A HN 0.283 nan 8.150 nan 0.000 0.442 863 R N -0.599 119.971 120.500 0.116 0.000 2.070 863 R HA -0.039 4.329 4.340 0.045 0.000 0.233 863 R C 2.213 178.567 176.300 0.089 0.000 1.137 863 R CA 1.442 57.600 56.100 0.097 0.000 0.945 863 R CB -0.619 29.729 30.300 0.080 0.000 0.845 863 R HN 0.506 nan 8.270 nan 0.000 0.430 864 L N 0.489 121.768 121.223 0.093 0.000 2.012 864 L HA -0.208 4.159 4.340 0.045 0.000 0.210 864 L C 2.439 179.356 176.870 0.078 0.000 1.073 864 L CA 1.615 56.509 54.840 0.090 0.000 0.748 864 L CB -0.503 41.614 42.059 0.098 0.000 0.891 864 L HN 0.300 nan 8.230 nan 0.000 0.431 865 A N -0.227 122.639 122.820 0.077 0.000 1.858 865 A HA -0.223 4.124 4.320 0.045 0.000 0.216 865 A C 2.454 180.065 177.584 0.044 0.000 1.190 865 A CA 1.872 53.946 52.037 0.062 0.000 0.617 865 A CB -0.937 18.108 19.000 0.076 0.000 0.827 865 A HN 0.546 nan 8.150 nan 0.000 0.443 866 A N -0.195 122.663 122.820 0.063 0.000 1.948 866 A HA 0.079 4.426 4.320 0.045 0.000 0.220 866 A C 2.502 180.087 177.584 0.001 0.000 1.177 866 A CA 2.430 54.497 52.037 0.051 0.000 0.636 866 A CB -1.101 17.958 19.000 0.098 0.000 0.815 866 A HN 1.108 nan 8.150 nan 0.000 0.449 867 A N -0.619 122.230 122.820 0.048 0.000 1.841 867 A HA -0.254 4.093 4.320 0.045 0.000 0.216 867 A C 2.126 179.718 177.584 0.014 0.000 1.199 867 A CA 1.795 53.882 52.037 0.084 0.000 0.621 867 A CB -0.851 18.235 19.000 0.144 0.000 0.835 867 A HN 0.638 nan 8.150 nan 0.000 0.445 868 Q N -0.685 119.115 119.800 -0.001 0.000 2.077 868 Q HA -0.210 4.158 4.340 0.045 0.000 0.206 868 Q C 2.423 178.366 176.000 -0.096 0.000 0.989 868 Q CA 1.619 57.396 55.803 -0.044 0.000 0.853 868 Q CB -0.507 28.223 28.738 -0.013 0.000 0.907 868 Q HN 0.692 nan 8.270 nan 0.000 0.418 869 A N 1.235 123.980 122.820 -0.124 0.000 1.948 869 A HA -0.232 4.116 4.320 0.045 0.000 0.220 869 A C 2.313 179.625 177.584 -0.453 0.000 1.177 869 A CA 1.869 53.772 52.037 -0.224 0.000 0.636 869 A CB -0.894 17.978 19.000 -0.213 0.000 0.815 869 A HN 0.444 nan 8.150 nan 0.000 0.449 870 A N -0.306 122.218 122.820 -0.494 0.000 1.845 870 A HA -0.057 4.290 4.320 0.045 0.000 0.215 870 A C 2.180 179.684 177.584 -0.134 0.000 1.195 870 A CA 1.570 53.384 52.037 -0.371 0.000 0.616 870 A CB -0.742 18.187 19.000 -0.118 0.000 0.832 870 A HN 0.473 nan 8.150 nan 0.000 0.443 871 L N -0.081 121.072 121.223 -0.115 0.000 2.079 871 L HA -0.228 4.140 4.340 0.045 0.000 0.210 871 L C 2.255 179.069 176.870 -0.095 0.000 1.081 871 L CA 1.327 56.090 54.840 -0.128 0.000 0.752 871 L CB -0.649 41.272 42.059 -0.229 0.000 0.896 871 L HN 0.373 nan 8.230 nan 0.000 0.433 872 N N -0.014 118.634 118.700 -0.087 0.000 2.244 872 N HA -0.124 4.643 4.740 0.045 0.000 0.183 872 N C 1.052 176.553 175.510 -0.015 0.000 1.016 872 N CA 1.062 54.083 53.050 -0.049 0.000 0.866 872 N CB -0.282 38.184 38.487 -0.034 0.000 0.980 872 N HN 0.414 nan 8.380 nan 0.000 0.430 873 N N 0.417 119.119 118.700 0.004 0.000 2.238 873 N HA 0.046 4.813 4.740 0.045 0.000 0.222 873 N C 0.004 175.555 175.510 0.068 0.000 1.133 873 N CA -0.024 53.060 53.050 0.057 0.000 0.854 873 N CB 0.852 39.416 38.487 0.129 0.000 1.041 873 N HN 0.076 nan 8.380 nan 0.000 0.510 874 K N 0.000 120.425 120.400 0.041 0.000 2.780 874 K HA 0.000 4.347 4.320 0.045 0.000 0.191 874 K CA 0.000 56.313 56.287 0.043 0.000 0.838 874 K CB 0.000 32.517 32.500 0.028 0.000 1.064 874 K HN 0.000 nan 8.250 nan 0.000 0.543