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 3lww_1_A DATA FIRST_RESID 1 DATA SEQUENCE MELITILEKT VSPDRLELEA AQKFLERAAV ENLPTFLVEL SRVLANPGNS DATA SEQUENCE QVARVAAGLQ IKNSLTSKDP DIKAQYQQRW LAIDANARRE VKNYVLQTLG DATA SEQUENCE TETYRPSSAS QCVAGIACAE IPVNQWPELI PQLVANVTNP NSTEHMKEST DATA SEQUENCE LEAIGYICQD IDPEQLQDKS NEILTAIIQG MRKEEPSNNV KLAATNALLN DATA SEQUENCE SLEFTKANFD KESERHFIMQ VVCEATQCPD TRVRVAALQN LVKIMSLYYQ DATA SEQUENCE YMETYMGPAL FAITIEAMKS DIDEVALQGI EFWSNVCDEE MDLAIEASEA DATA SEQUENCE AEQGRPPEHT SKFYAKGALQ YLVPILTQTL TKQDENDDDD DWNPCKAAGV DATA SEQUENCE CLMLLATCCE DDIVPHVLPF IKEHIKNPDW RYRDAAVMAF GCILEGPEPS DATA SEQUENCE QLKPLVIQAM PTLIELMKDP SVVVRDTAAW TVGRICELLP EAAINDVYLA DATA SEQUENCE PLLQCLIEGL SAEPRVASNV CWAFSSLAEA AYEAADVADD QEEPATYCLS DATA SEQUENCE SSFELIVQKL LETTDRPDGH QNNLRSSAYE SLMEIVKNSA KDCYPAVQKT DATA SEQUENCE TLVIMERLQQ VLQMESHIQS TSDRIQFNDL QSLLCATLQN VLRKVQHQDA DATA SEQUENCE LQISDVVMAS LLRMFQSTAG SGGVQEDALM AVSTLVEVLG GEFLKYMEAF DATA SEQUENCE KPFLGIGLKN YAEYQVCLAA VGLVGDLCRA LQSNIIPFCD EVMQLLLENL DATA SEQUENCE GNENVHRSVK PQILSVFGDI ALAIGGEFKK YLEVVLNTLQ QASQAQVDKS DATA SEQUENCE DYDMVDYLNE LRESCLEAYT GIVQGLKGDQ ENVHPDVMLV QPRVEFILSF DATA SEQUENCE IDHIAGDEDH TDGVVACAAG LIGDLCTAFG KDVLKLVEAR PMIHELLTEG DATA SEQUENCE RRSKTNKAKT LATWATKELR KLK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.230 176.300 -0.116 0.000 1.140 1 M CA 0.000 55.195 55.300 -0.176 0.000 0.988 1 M CB 0.000 32.433 32.600 -0.279 0.000 1.302 2 E N 1.023 121.170 120.200 -0.088 0.000 2.231 2 E HA 0.407 4.772 4.350 0.025 0.000 0.277 2 E C 0.020 176.621 176.600 0.002 0.000 0.999 2 E CA -0.233 56.154 56.400 -0.021 0.000 0.827 2 E CB 1.396 31.088 29.700 -0.014 0.000 1.101 2 E HN 0.656 nan 8.360 nan 0.000 0.393 3 L N 3.564 124.836 121.223 0.082 0.000 2.012 3 L HA -0.196 4.159 4.340 0.025 0.000 0.210 3 L C 1.532 178.450 176.870 0.080 0.000 1.073 3 L CA 1.141 56.071 54.840 0.150 0.000 0.748 3 L CB -0.205 41.945 42.059 0.152 0.000 0.891 3 L HN 0.742 nan 8.230 nan 0.000 0.431 4 I N -0.153 120.439 120.570 0.037 0.000 2.145 4 I HA -0.356 3.829 4.170 0.025 0.000 0.244 4 I C 2.511 178.634 176.117 0.011 0.000 1.075 4 I CA 1.803 63.112 61.300 0.016 0.000 1.332 4 I CB -0.868 37.136 38.000 0.005 0.000 1.033 4 I HN 0.226 nan 8.210 nan 0.000 0.410 5 T N 0.711 115.263 114.554 -0.003 0.000 2.652 5 T HA -0.139 4.226 4.350 0.025 0.000 0.267 5 T C 1.973 176.662 174.700 -0.017 0.000 1.039 5 T CA 1.474 63.561 62.100 -0.021 0.000 1.153 5 T CB -0.175 68.664 68.868 -0.049 0.000 0.863 5 T HN 0.108 nan 8.240 nan 0.000 0.428 6 I N 1.191 121.750 120.570 -0.017 0.000 2.163 6 I HA -0.107 4.078 4.170 0.025 0.000 0.243 6 I C 2.376 178.532 176.117 0.065 0.000 1.085 6 I CA 1.373 62.683 61.300 0.016 0.000 1.347 6 I CB -1.434 36.620 38.000 0.089 0.000 1.044 6 I HN 0.291 nan 8.210 nan 0.000 0.408 7 L N 0.248 121.515 121.223 0.073 0.000 2.131 7 L HA -0.183 4.172 4.340 0.025 0.000 0.210 7 L C 2.266 179.151 176.870 0.026 0.000 1.092 7 L CA 1.244 56.115 54.840 0.053 0.000 0.759 7 L CB -0.544 41.533 42.059 0.031 0.000 0.903 7 L HN 0.297 nan 8.230 nan 0.000 0.435 8 E N -0.316 119.895 120.200 0.018 0.000 2.435 8 E HA -0.088 4.277 4.350 0.025 0.000 0.195 8 E C 1.471 178.077 176.600 0.012 0.000 1.029 8 E CA 0.265 56.672 56.400 0.011 0.000 0.865 8 E CB 0.284 29.987 29.700 0.006 0.000 0.833 8 E HN 0.259 nan 8.360 nan 0.000 0.510 9 K N 0.027 120.435 120.400 0.013 0.000 2.374 9 K HA 0.022 4.357 4.320 0.025 0.000 0.196 9 K C 1.812 178.425 176.600 0.020 0.000 1.023 9 K CA 0.656 56.949 56.287 0.011 0.000 1.103 9 K CB 0.208 32.708 32.500 0.000 0.000 0.848 9 K HN 0.157 nan 8.250 nan 0.000 0.528 10 T N -1.661 112.910 114.554 0.028 0.000 3.118 10 T HA -0.027 4.339 4.350 0.025 0.000 0.260 10 T C 1.495 176.209 174.700 0.024 0.000 1.139 10 T CA 0.732 62.851 62.100 0.031 0.000 1.085 10 T CB -0.296 68.594 68.868 0.036 0.000 0.934 10 T HN -0.012 nan 8.240 nan 0.000 0.518 11 V N -2.184 117.743 119.914 0.021 0.000 3.276 11 V HA 0.464 4.599 4.120 0.025 0.000 0.319 11 V C 0.368 176.474 176.094 0.021 0.000 1.427 11 V CA -0.860 61.453 62.300 0.023 0.000 1.102 11 V CB -0.300 31.538 31.823 0.026 0.000 1.020 11 V HN 0.235 nan 8.190 nan 0.000 0.456 12 S N 3.155 118.865 115.700 0.017 0.000 2.531 12 S HA 0.357 4.843 4.470 0.025 0.000 0.279 12 S C -1.437 173.171 174.600 0.014 0.000 1.305 12 S CA -0.212 57.996 58.200 0.014 0.000 1.058 12 S CB 1.283 64.489 63.200 0.010 0.000 0.899 12 S HN 0.393 nan 8.310 nan 0.000 0.493 13 P HA -0.020 nan 4.420 nan 0.000 0.231 13 P C -0.042 177.264 177.300 0.010 0.000 1.158 13 P CA 0.553 63.660 63.100 0.012 0.000 0.763 13 P CB 0.053 31.759 31.700 0.011 0.000 0.805 14 D N -0.061 120.344 120.400 0.009 0.000 2.336 14 D HA 0.017 4.673 4.640 0.025 0.000 0.249 14 D C 1.381 177.686 176.300 0.008 0.000 1.213 14 D CA -0.170 53.834 54.000 0.007 0.000 0.870 14 D CB 0.747 41.550 40.800 0.005 0.000 1.076 14 D HN -0.240 nan 8.370 nan 0.000 0.483 15 R N 3.960 124.465 120.500 0.008 0.000 2.115 15 R HA -0.209 4.146 4.340 0.025 0.000 0.239 15 R C 1.873 178.179 176.300 0.010 0.000 1.133 15 R CA 1.569 57.675 56.100 0.009 0.000 0.935 15 R CB -0.963 29.342 30.300 0.008 0.000 0.853 15 R HN 0.484 nan 8.270 nan 0.000 0.433 16 L N 0.986 122.213 121.223 0.008 0.000 2.056 16 L HA -0.036 4.319 4.340 0.025 0.000 0.207 16 L C 2.157 179.031 176.870 0.008 0.000 1.078 16 L CA 2.257 57.102 54.840 0.008 0.000 0.749 16 L CB -0.806 41.256 42.059 0.005 0.000 0.901 16 L HN 0.498 nan 8.230 nan 0.000 0.433 17 E N -0.946 119.257 120.200 0.006 0.000 2.268 17 E HA -0.223 4.143 4.350 0.025 0.000 0.195 17 E C 2.225 178.831 176.600 0.010 0.000 0.995 17 E CA 0.825 57.227 56.400 0.004 0.000 0.836 17 E CB -0.081 29.619 29.700 0.000 0.000 0.763 17 E HN 0.599 nan 8.360 nan 0.000 0.491 18 L N 0.353 121.584 121.223 0.014 0.000 2.162 18 L HA -0.055 4.300 4.340 0.025 0.000 0.205 18 L C 2.082 178.968 176.870 0.025 0.000 1.086 18 L CA 0.729 55.581 54.840 0.020 0.000 0.778 18 L CB -0.003 42.067 42.059 0.019 0.000 0.928 18 L HN 0.054 nan 8.230 nan 0.000 0.446 19 E N 0.372 120.585 120.200 0.021 0.000 2.110 19 E HA -0.227 4.138 4.350 0.025 0.000 0.193 19 E C 2.088 178.706 176.600 0.031 0.000 0.988 19 E CA 1.292 57.706 56.400 0.023 0.000 0.804 19 E CB -0.117 29.594 29.700 0.017 0.000 0.745 19 E HN 0.626 nan 8.360 nan 0.000 0.458 20 A N 1.253 124.091 122.820 0.029 0.000 1.968 20 A HA 0.027 4.362 4.320 0.025 0.000 0.217 20 A C 2.368 179.992 177.584 0.067 0.000 1.169 20 A CA 1.558 53.617 52.037 0.037 0.000 0.638 20 A CB -0.309 18.700 19.000 0.016 0.000 0.812 20 A HN 0.258 nan 8.150 nan 0.000 0.446 21 A N -0.954 121.903 122.820 0.062 0.000 1.854 21 A HA -0.123 4.212 4.320 0.025 0.000 0.214 21 A C 1.952 179.610 177.584 0.123 0.000 1.192 21 A CA 1.355 53.451 52.037 0.098 0.000 0.611 21 A CB -0.479 18.562 19.000 0.068 0.000 0.832 21 A HN 0.423 nan 8.150 nan 0.000 0.442 22 Q N -0.484 119.362 119.800 0.077 0.000 2.561 22 Q HA -0.086 4.270 4.340 0.025 0.000 0.217 22 Q C 1.597 177.622 176.000 0.042 0.000 0.980 22 Q CA 0.867 56.705 55.803 0.058 0.000 0.927 22 Q CB -0.054 28.707 28.738 0.040 0.000 0.980 22 Q HN 0.565 nan 8.270 nan 0.000 0.525 23 K N -0.177 120.260 120.400 0.062 0.000 2.190 23 K HA 0.016 4.352 4.320 0.025 0.000 0.202 23 K C 1.659 178.282 176.600 0.039 0.000 1.045 23 K CA 0.145 56.456 56.287 0.040 0.000 0.976 23 K CB -0.142 32.388 32.500 0.049 0.000 0.849 23 K HN 0.161 nan 8.250 nan 0.000 0.468 24 F N 1.901 121.825 119.950 -0.043 0.000 2.365 24 F HA -0.063 4.479 4.527 0.026 0.000 0.300 24 F C 1.629 177.365 175.800 -0.108 0.000 1.090 24 F CA 0.937 58.901 58.000 -0.060 0.000 1.408 24 F CB 0.113 39.095 39.000 -0.030 0.000 1.060 24 F HN -0.070 nan 8.300 nan 0.000 0.534 25 L N -0.129 121.030 121.223 -0.107 0.000 2.270 25 L HA -0.063 4.292 4.340 0.025 0.000 0.210 25 L C 2.274 178.891 176.870 -0.423 0.000 1.104 25 L CA 1.174 55.879 54.840 -0.225 0.000 0.804 25 L CB -0.589 41.526 42.059 0.094 0.000 0.937 25 L HN 0.169 nan 8.230 nan 0.000 0.450 26 E N 0.433 120.480 120.200 -0.256 0.000 2.435 26 E HA -0.161 4.204 4.350 0.025 0.000 0.195 26 E C 2.224 178.645 176.600 -0.297 0.000 1.029 26 E CA 0.098 56.358 56.400 -0.233 0.000 0.865 26 E CB 0.328 29.964 29.700 -0.107 0.000 0.833 26 E HN 0.307 nan 8.360 nan 0.000 0.510 27 R N 0.109 120.389 120.500 -0.366 0.000 2.055 27 R HA 0.024 4.380 4.340 0.025 0.000 0.226 27 R C 2.078 178.102 176.300 -0.459 0.000 1.135 27 R CA 1.200 57.094 56.100 -0.344 0.000 0.959 27 R CB -0.261 29.861 30.300 -0.296 0.000 0.854 27 R HN 0.109 nan 8.270 nan 0.000 0.431 28 A N 0.431 122.809 122.820 -0.738 0.000 2.119 28 A HA 0.077 4.412 4.320 0.025 0.000 0.217 28 A C 2.008 179.120 177.584 -0.787 0.000 1.153 28 A CA 1.222 52.814 52.037 -0.741 0.000 0.692 28 A CB -0.313 18.163 19.000 -0.873 0.000 0.799 28 A HN 0.535 nan 8.150 nan 0.000 0.458 29 A N -1.134 121.150 122.820 -0.893 0.000 2.218 29 A HA 0.368 4.703 4.320 0.025 0.000 0.209 29 A C 1.739 179.184 177.584 -0.233 0.000 1.168 29 A CA 1.071 52.781 52.037 -0.545 0.000 0.804 29 A CB -0.073 18.660 19.000 -0.446 0.000 0.834 29 A HN 0.282 nan 8.150 nan 0.000 0.482 30 V N -0.798 118.975 119.914 -0.236 0.000 2.908 30 V HA -0.060 4.075 4.120 0.025 0.000 0.240 30 V C 2.086 178.114 176.094 -0.109 0.000 1.117 30 V CA 1.273 63.493 62.300 -0.133 0.000 1.133 30 V CB -0.290 31.463 31.823 -0.118 0.000 0.857 30 V HN 0.557 nan 8.190 nan 0.000 0.478 31 E N 0.799 120.916 120.200 -0.139 0.000 2.153 31 E HA -0.094 4.271 4.350 0.025 0.000 0.194 31 E C 0.866 177.422 176.600 -0.073 0.000 0.988 31 E CA 0.923 57.263 56.400 -0.100 0.000 0.811 31 E CB 0.119 29.751 29.700 -0.113 0.000 0.746 31 E HN 0.552 nan 8.360 nan 0.000 0.466 32 N N -0.212 118.441 118.700 -0.078 0.000 3.193 32 N HA -0.017 4.738 4.740 0.025 0.000 0.234 32 N C -0.219 175.297 175.510 0.010 0.000 1.267 32 N CA -0.196 52.835 53.050 -0.032 0.000 0.875 32 N CB 0.862 39.337 38.487 -0.020 0.000 1.592 32 N HN -0.076 nan 8.380 nan 0.000 0.648 33 L N 6.076 127.313 121.223 0.023 0.000 2.017 33 L HA 0.180 4.535 4.340 0.025 0.000 0.208 33 L C -1.039 175.901 176.870 0.116 0.000 1.073 33 L CA 1.861 56.759 54.840 0.096 0.000 0.745 33 L CB -0.819 41.283 42.059 0.073 0.000 0.894 33 L HN 0.497 nan 8.230 nan 0.000 0.432 34 P HA -0.159 nan 4.420 nan 0.000 0.212 34 P C 1.659 178.971 177.300 0.020 0.000 1.178 34 P CA 2.226 65.327 63.100 0.002 0.000 0.915 34 P CB -0.257 31.414 31.700 -0.047 0.000 0.788 35 T N -0.953 113.616 114.554 0.026 0.000 2.737 35 T HA -0.202 4.163 4.350 0.025 0.000 0.269 35 T C 1.483 176.219 174.700 0.061 0.000 1.040 35 T CA 1.226 63.342 62.100 0.026 0.000 1.142 35 T CB -0.999 67.886 68.868 0.028 0.000 0.861 35 T HN 0.010 nan 8.240 nan 0.000 0.456 36 F N 1.598 121.511 119.950 -0.062 0.000 2.113 36 F HA 0.034 4.576 4.527 0.025 0.000 0.297 36 F C 1.903 177.666 175.800 -0.061 0.000 1.103 36 F CA 0.944 58.902 58.000 -0.070 0.000 1.248 36 F CB -0.571 38.377 39.000 -0.086 0.000 0.999 36 F HN 0.069 nan 8.300 nan 0.000 0.475 37 L N -0.815 120.340 121.223 -0.113 0.000 2.046 37 L HA -0.210 4.145 4.340 0.025 0.000 0.208 37 L C 2.392 179.150 176.870 -0.187 0.000 1.077 37 L CA 1.053 55.785 54.840 -0.179 0.000 0.747 37 L CB -1.006 41.084 42.059 0.051 0.000 0.896 37 L HN -0.012 nan 8.230 nan 0.000 0.432 38 V N 0.041 119.878 119.914 -0.129 0.000 2.287 38 V HA -0.319 3.816 4.120 0.025 0.000 0.248 38 V C 2.489 178.391 176.094 -0.320 0.000 1.053 38 V CA 2.139 64.322 62.300 -0.194 0.000 1.027 38 V CB -0.511 31.243 31.823 -0.115 0.000 0.646 38 V HN 0.513 nan 8.190 nan 0.000 0.447 39 E N -0.210 119.848 120.200 -0.236 0.000 2.150 39 E HA -0.182 4.183 4.350 0.025 0.000 0.193 39 E C 2.215 178.652 176.600 -0.272 0.000 0.985 39 E CA 1.021 57.289 56.400 -0.220 0.000 0.814 39 E CB -0.052 29.583 29.700 -0.108 0.000 0.752 39 E HN 0.577 nan 8.360 nan 0.000 0.466 40 L N 0.608 121.612 121.223 -0.365 0.000 2.005 40 L HA -0.165 4.190 4.340 0.025 0.000 0.207 40 L C 2.816 179.529 176.870 -0.261 0.000 1.072 40 L CA 1.447 56.070 54.840 -0.360 0.000 0.744 40 L CB -0.566 41.183 42.059 -0.517 0.000 0.895 40 L HN 0.230 nan 8.230 nan 0.000 0.433 41 S N -0.308 115.233 115.700 -0.265 0.000 2.399 41 S HA -0.257 4.228 4.470 0.025 0.000 0.231 41 S C 2.055 176.508 174.600 -0.245 0.000 1.022 41 S CA 1.060 59.147 58.200 -0.189 0.000 0.983 41 S CB -0.486 62.645 63.200 -0.114 0.000 0.803 41 S HN 0.335 nan 8.310 nan 0.000 0.480 42 R N 0.506 120.727 120.500 -0.465 0.000 2.189 42 R HA 0.068 4.424 4.340 0.025 0.000 0.223 42 R C 1.612 177.831 176.300 -0.134 0.000 1.092 42 R CA 1.060 56.913 56.100 -0.411 0.000 0.989 42 R CB -0.213 29.821 30.300 -0.443 0.000 0.876 42 R HN 0.421 nan 8.270 nan 0.000 0.457 43 V N 0.452 120.287 119.914 -0.132 0.000 3.052 43 V HA -0.113 4.022 4.120 0.025 0.000 0.254 43 V C 1.821 177.886 176.094 -0.047 0.000 1.100 43 V CA 0.677 62.932 62.300 -0.073 0.000 1.112 43 V CB 0.084 31.857 31.823 -0.083 0.000 0.738 43 V HN 0.267 nan 8.190 nan 0.000 0.469 44 L N 1.021 122.212 121.223 -0.054 0.000 2.095 44 L HA 0.107 4.462 4.340 0.025 0.000 0.204 44 L C 2.415 179.298 176.870 0.021 0.000 1.080 44 L CA 2.215 57.039 54.840 -0.028 0.000 0.759 44 L CB -0.719 41.316 42.059 -0.039 0.000 0.914 44 L HN 0.200 nan 8.230 nan 0.000 0.439 45 A N -0.775 122.084 122.820 0.066 0.000 1.929 45 A HA -0.116 4.219 4.320 0.025 0.000 0.216 45 A C 1.232 178.860 177.584 0.073 0.000 1.176 45 A CA 0.732 52.831 52.037 0.103 0.000 0.628 45 A CB -0.790 18.335 19.000 0.209 0.000 0.816 45 A HN 0.508 nan 8.150 nan 0.000 0.444 46 N N 0.686 119.421 118.700 0.059 0.000 2.416 46 N HA 0.173 4.928 4.740 0.025 0.000 0.265 46 N C -2.303 173.225 175.510 0.030 0.000 1.195 46 N CA -1.916 51.160 53.050 0.043 0.000 0.943 46 N CB 1.022 39.529 38.487 0.033 0.000 1.115 46 N HN 0.010 nan 8.380 nan 0.000 0.481 47 P HA 0.097 nan 4.420 nan 0.000 0.242 47 P C 0.988 178.302 177.300 0.023 0.000 1.197 47 P CA 0.333 63.450 63.100 0.028 0.000 0.765 47 P CB 0.217 31.933 31.700 0.027 0.000 0.936 48 G N -0.267 108.546 108.800 0.020 0.000 2.395 48 G HA2 -0.100 3.875 3.960 0.025 0.000 0.214 48 G HA3 -0.100 3.875 3.960 0.025 0.000 0.214 48 G C 0.774 175.683 174.900 0.015 0.000 1.177 48 G CA -0.017 45.093 45.100 0.017 0.000 0.794 48 G HN 0.251 nan 8.290 nan 0.000 0.532 49 N N 1.595 120.303 118.700 0.012 0.000 2.395 49 N HA 0.087 4.842 4.740 0.025 0.000 0.246 49 N C 0.867 176.385 175.510 0.013 0.000 1.246 49 N CA 0.454 53.509 53.050 0.009 0.000 0.879 49 N CB 0.805 39.292 38.487 0.001 0.000 1.098 49 N HN 0.389 nan 8.380 nan 0.000 0.444 50 S N 0.276 115.984 115.700 0.013 0.000 2.560 50 S HA -0.113 4.372 4.470 0.025 0.000 0.276 50 S C 1.161 175.776 174.600 0.026 0.000 1.350 50 S CA -0.309 57.904 58.200 0.021 0.000 1.024 50 S CB 0.662 63.874 63.200 0.019 0.000 0.864 50 S HN 0.695 nan 8.310 nan 0.000 0.536 51 Q N 0.540 120.368 119.800 0.047 0.000 2.234 51 Q HA -0.113 4.242 4.340 0.025 0.000 0.206 51 Q C 1.631 177.656 176.000 0.042 0.000 0.980 51 Q CA 1.644 57.490 55.803 0.072 0.000 0.869 51 Q CB -0.319 28.498 28.738 0.132 0.000 0.912 51 Q HN 0.731 nan 8.270 nan 0.000 0.436 52 V N 0.685 120.619 119.914 0.034 0.000 2.283 52 V HA -0.199 3.936 4.120 0.025 0.000 0.243 52 V C 2.379 178.459 176.094 -0.024 0.000 1.039 52 V CA 1.684 63.990 62.300 0.011 0.000 1.016 52 V CB -1.197 30.640 31.823 0.024 0.000 0.650 52 V HN 0.495 nan 8.190 nan 0.000 0.449 53 A N 0.097 122.909 122.820 -0.014 0.000 2.024 53 A HA -0.235 4.100 4.320 0.025 0.000 0.220 53 A C 2.357 179.913 177.584 -0.047 0.000 1.164 53 A CA 1.919 53.943 52.037 -0.022 0.000 0.643 53 A CB -0.467 18.527 19.000 -0.010 0.000 0.806 53 A HN 0.584 nan 8.150 nan 0.000 0.451 54 R N -1.127 119.340 120.500 -0.056 0.000 2.100 54 R HA 0.041 4.396 4.340 0.025 0.000 0.220 54 R C 1.913 178.131 176.300 -0.136 0.000 1.091 54 R CA 1.122 57.176 56.100 -0.077 0.000 0.986 54 R CB -0.371 29.900 30.300 -0.049 0.000 0.888 54 R HN 0.366 nan 8.270 nan 0.000 0.444 55 V N 1.241 121.037 119.914 -0.195 0.000 2.427 55 V HA -0.171 3.964 4.120 0.025 0.000 0.248 55 V C 2.399 178.371 176.094 -0.203 0.000 1.051 55 V CA 1.922 64.031 62.300 -0.319 0.000 1.048 55 V CB -0.557 30.946 31.823 -0.534 0.000 0.666 55 V HN 0.362 nan 8.190 nan 0.000 0.456 56 A N 0.177 122.920 122.820 -0.128 0.000 1.898 56 A HA -0.033 4.302 4.320 0.025 0.000 0.216 56 A C 2.425 179.957 177.584 -0.087 0.000 1.181 56 A CA 1.829 53.818 52.037 -0.080 0.000 0.620 56 A CB -0.731 18.248 19.000 -0.036 0.000 0.819 56 A HN 0.538 nan 8.150 nan 0.000 0.442 57 A N -0.517 122.242 122.820 -0.102 0.000 1.933 57 A HA 0.128 4.463 4.320 0.025 0.000 0.218 57 A C 2.328 179.820 177.584 -0.153 0.000 1.175 57 A CA 1.870 53.826 52.037 -0.136 0.000 0.628 57 A CB -1.192 17.729 19.000 -0.133 0.000 0.814 57 A HN 0.700 nan 8.150 nan 0.000 0.444 58 G N -0.727 107.987 108.800 -0.143 0.000 2.421 58 G HA2 -0.006 3.969 3.960 0.025 0.000 0.217 58 G HA3 -0.006 3.969 3.960 0.025 0.000 0.217 58 G C 1.423 176.236 174.900 -0.145 0.000 1.143 58 G CA 0.971 45.983 45.100 -0.146 0.000 0.784 58 G HN 0.418 nan 8.290 nan 0.000 0.541 59 L N 0.147 121.290 121.223 -0.133 0.000 2.109 59 L HA 0.041 4.396 4.340 0.025 0.000 0.207 59 L C 2.811 179.625 176.870 -0.093 0.000 1.086 59 L CA 1.395 56.170 54.840 -0.108 0.000 0.760 59 L CB -0.252 41.755 42.059 -0.086 0.000 0.910 59 L HN 0.104 nan 8.230 nan 0.000 0.437 60 Q N -0.295 119.451 119.800 -0.090 0.000 2.016 60 Q HA -0.152 4.203 4.340 0.025 0.000 0.200 60 Q C 2.362 178.294 176.000 -0.113 0.000 0.978 60 Q CA 2.074 57.835 55.803 -0.070 0.000 0.833 60 Q CB -0.367 28.336 28.738 -0.059 0.000 0.895 60 Q HN 0.567 nan 8.270 nan 0.000 0.427 61 I N 1.104 121.579 120.570 -0.159 0.000 2.208 61 I HA -0.313 3.873 4.170 0.025 0.000 0.245 61 I C 2.635 178.637 176.117 -0.191 0.000 1.097 61 I CA 1.359 62.551 61.300 -0.180 0.000 1.363 61 I CB -0.399 37.489 38.000 -0.188 0.000 1.051 61 I HN 0.226 nan 8.210 nan 0.000 0.413 62 K N 1.252 121.551 120.400 -0.169 0.000 2.032 62 K HA -0.215 4.120 4.320 0.025 0.000 0.209 62 K C 1.668 178.184 176.600 -0.141 0.000 1.048 62 K CA 1.897 58.087 56.287 -0.161 0.000 0.927 62 K CB -0.107 32.306 32.500 -0.145 0.000 0.712 62 K HN 0.251 nan 8.250 nan 0.000 0.441 63 N N 0.404 119.028 118.700 -0.126 0.000 2.550 63 N HA -0.034 4.721 4.740 0.025 0.000 0.186 63 N C 0.628 175.970 175.510 -0.279 0.000 1.110 63 N CA 0.638 53.614 53.050 -0.123 0.000 0.912 63 N CB 0.299 38.740 38.487 -0.077 0.000 0.968 63 N HN 0.121 nan 8.380 nan 0.000 0.448 64 S N -0.417 115.108 115.700 -0.292 0.000 2.556 64 S HA 0.305 4.790 4.470 0.025 0.000 0.216 64 S C 1.408 175.803 174.600 -0.342 0.000 0.970 64 S CA -0.084 57.867 58.200 -0.416 0.000 0.912 64 S CB 0.609 63.693 63.200 -0.195 0.000 0.790 64 S HN 0.206 nan 8.310 nan 0.000 0.504 65 L N -0.745 120.347 121.223 -0.219 0.000 2.953 65 L HA 0.320 4.676 4.340 0.025 0.000 0.258 65 L C 0.862 177.764 176.870 0.054 0.000 1.100 65 L CA 0.261 55.039 54.840 -0.103 0.000 0.971 65 L CB 0.754 42.645 42.059 -0.279 0.000 1.474 65 L HN 0.117 nan 8.230 nan 0.000 0.540 66 T N -1.780 112.816 114.554 0.069 0.000 2.804 66 T HA 0.707 5.072 4.350 0.025 0.000 0.290 66 T C -1.353 173.461 174.700 0.190 0.000 1.099 66 T CA -0.333 61.838 62.100 0.119 0.000 1.011 66 T CB 1.991 70.883 68.868 0.039 0.000 1.291 66 T HN -0.007 nan 8.240 nan 0.000 0.523 67 S N -0.377 115.401 115.700 0.130 0.000 2.586 67 S HA 0.348 4.833 4.470 0.025 0.000 0.277 67 S C -0.701 173.937 174.600 0.064 0.000 1.131 67 S CA -0.536 57.733 58.200 0.115 0.000 0.848 67 S CB 1.058 64.338 63.200 0.134 0.000 1.091 67 S HN 0.790 nan 8.310 nan 0.000 0.453 68 K N 1.228 121.660 120.400 0.055 0.000 2.525 68 K HA 0.233 4.568 4.320 0.025 0.000 0.192 68 K C 0.033 176.649 176.600 0.025 0.000 1.029 68 K CA 0.296 56.607 56.287 0.040 0.000 1.029 68 K CB -0.298 32.225 32.500 0.039 0.000 0.814 68 K HN 0.367 nan 8.250 nan 0.000 0.503 69 D N 0.580 120.990 120.400 0.017 0.000 2.392 69 D HA 0.208 4.863 4.640 0.025 0.000 0.228 69 D C -1.910 174.374 176.300 -0.027 0.000 1.074 69 D CA -2.865 51.131 54.000 -0.007 0.000 0.838 69 D CB 1.588 42.379 40.800 -0.015 0.000 1.067 69 D HN -0.222 nan 8.370 nan 0.000 0.511 70 P HA -0.178 nan 4.420 nan 0.000 0.214 70 P C 0.914 178.181 177.300 -0.054 0.000 1.169 70 P CA 1.062 64.138 63.100 -0.039 0.000 0.908 70 P CB 0.264 31.929 31.700 -0.058 0.000 0.791 71 D N -0.803 119.555 120.400 -0.070 0.000 2.087 71 D HA -0.170 4.486 4.640 0.025 0.000 0.192 71 D C 1.895 178.125 176.300 -0.116 0.000 0.993 71 D CA 1.245 55.198 54.000 -0.078 0.000 0.828 71 D CB -0.751 40.006 40.800 -0.072 0.000 0.968 71 D HN -0.115 nan 8.370 nan 0.000 0.448 72 I N 0.837 121.312 120.570 -0.159 0.000 2.264 72 I HA -0.219 3.966 4.170 0.025 0.000 0.248 72 I C 2.398 178.296 176.117 -0.365 0.000 1.111 72 I CA 1.071 62.175 61.300 -0.328 0.000 1.382 72 I CB -0.985 36.822 38.000 -0.321 0.000 1.060 72 I HN 0.234 nan 8.210 nan 0.000 0.418 73 K N 1.194 121.509 120.400 -0.141 0.000 2.148 73 K HA -0.124 4.211 4.320 0.025 0.000 0.204 73 K C 2.104 178.704 176.600 0.000 0.000 1.050 73 K CA 1.394 57.670 56.287 -0.018 0.000 0.942 73 K CB 0.062 32.573 32.500 0.019 0.000 0.724 73 K HN 0.238 nan 8.250 nan 0.000 0.446 74 A N 0.870 123.671 122.820 -0.033 0.000 2.014 74 A HA -0.158 4.177 4.320 0.025 0.000 0.218 74 A C 2.005 179.591 177.584 0.004 0.000 1.163 74 A CA 1.234 53.268 52.037 -0.004 0.000 0.652 74 A CB -0.351 18.641 19.000 -0.015 0.000 0.808 74 A HN 0.540 nan 8.150 nan 0.000 0.449 75 Q N -1.816 117.952 119.800 -0.053 0.000 2.123 75 Q HA -0.125 4.230 4.340 0.025 0.000 0.196 75 Q C 1.550 177.605 176.000 0.091 0.000 0.958 75 Q CA 1.009 56.794 55.803 -0.029 0.000 0.841 75 Q CB -0.204 28.462 28.738 -0.120 0.000 0.915 75 Q HN 0.633 nan 8.270 nan 0.000 0.455 76 Y N 1.403 121.730 120.300 0.046 0.000 2.315 76 Y HA -0.188 4.377 4.550 0.025 0.000 0.288 76 Y C 2.076 178.030 175.900 0.090 0.000 1.154 76 Y CA 1.115 59.250 58.100 0.058 0.000 1.229 76 Y CB -0.270 38.210 38.460 0.033 0.000 0.980 76 Y HN 0.303 nan 8.280 nan 0.000 0.540 77 Q N -0.946 118.991 119.800 0.229 0.000 2.137 77 Q HA -0.146 4.210 4.340 0.025 0.000 0.198 77 Q C 2.124 178.252 176.000 0.213 0.000 0.960 77 Q CA 0.820 56.742 55.803 0.198 0.000 0.847 77 Q CB -0.064 28.752 28.738 0.129 0.000 0.915 77 Q HN 0.377 nan 8.270 nan 0.000 0.448 78 Q N 0.541 120.433 119.800 0.153 0.000 2.167 78 Q HA -0.139 4.216 4.340 0.025 0.000 0.202 78 Q C 1.928 178.001 176.000 0.122 0.000 0.970 78 Q CA 1.125 56.997 55.803 0.115 0.000 0.855 78 Q CB -0.151 28.631 28.738 0.073 0.000 0.911 78 Q HN 0.275 nan 8.270 nan 0.000 0.438 79 R N -0.126 120.474 120.500 0.167 0.000 2.115 79 R HA -0.126 4.229 4.340 0.025 0.000 0.230 79 R C 2.029 178.427 176.300 0.163 0.000 1.111 79 R CA 1.032 57.224 56.100 0.155 0.000 0.976 79 R CB -0.270 30.151 30.300 0.201 0.000 0.870 79 R HN 0.393 nan 8.270 nan 0.000 0.445 80 W N 1.007 122.322 121.300 0.025 0.000 2.408 80 W HA -0.163 4.511 4.660 0.023 0.000 0.311 80 W C 1.278 177.785 176.519 -0.020 0.000 1.190 80 W CA 1.007 58.347 57.345 -0.009 0.000 1.321 80 W CB -0.263 29.188 29.460 -0.015 0.000 1.143 80 W HN 0.121 nan 8.180 nan 0.000 0.501 81 L N 1.249 122.506 121.223 0.056 0.000 2.265 81 L HA -0.187 4.168 4.340 0.025 0.000 0.215 81 L C 2.738 179.537 176.870 -0.117 0.000 1.117 81 L CA 1.128 55.931 54.840 -0.062 0.000 0.782 81 L CB -1.078 41.014 42.059 0.054 0.000 0.914 81 L HN -0.019 nan 8.230 nan 0.000 0.441 82 A N 0.118 122.892 122.820 -0.077 0.000 1.969 82 A HA -0.004 4.331 4.320 0.025 0.000 0.218 82 A C 1.296 178.798 177.584 -0.136 0.000 1.169 82 A CA 0.422 52.414 52.037 -0.075 0.000 0.635 82 A CB -0.403 18.581 19.000 -0.026 0.000 0.810 82 A HN 0.258 nan 8.150 nan 0.000 0.445 83 I N 2.035 122.468 120.570 -0.227 0.000 2.692 83 I HA 0.020 4.205 4.170 0.025 0.000 0.284 83 I C 0.234 176.172 176.117 -0.299 0.000 1.159 83 I CA -0.579 60.551 61.300 -0.283 0.000 1.423 83 I CB 0.411 38.153 38.000 -0.429 0.000 1.380 83 I HN 0.432 nan 8.210 nan 0.000 0.580 84 D N 4.965 125.234 120.400 -0.218 0.000 2.352 84 D HA 0.016 4.671 4.640 0.025 0.000 0.238 84 D C 0.819 176.986 176.300 -0.222 0.000 1.286 84 D CA -0.161 53.731 54.000 -0.179 0.000 0.923 84 D CB 0.634 41.360 40.800 -0.123 0.000 1.146 84 D HN 0.570 nan 8.370 nan 0.000 0.471 85 A N 0.543 123.266 122.820 -0.162 0.000 1.929 85 A HA -0.176 4.159 4.320 0.025 0.000 0.216 85 A C 1.903 179.409 177.584 -0.130 0.000 1.176 85 A CA 1.011 52.956 52.037 -0.153 0.000 0.628 85 A CB -0.711 18.231 19.000 -0.098 0.000 0.816 85 A HN 0.544 nan 8.150 nan 0.000 0.444 86 N N 0.893 119.533 118.700 -0.099 0.000 2.036 86 N HA -0.175 4.580 4.740 0.025 0.000 0.195 86 N C 1.848 177.316 175.510 -0.070 0.000 1.037 86 N CA 1.972 54.981 53.050 -0.068 0.000 0.855 86 N CB -0.585 37.871 38.487 -0.052 0.000 1.033 86 N HN 0.461 nan 8.380 nan 0.000 0.423 87 A N 0.893 123.647 122.820 -0.109 0.000 1.929 87 A HA -0.029 4.306 4.320 0.025 0.000 0.216 87 A C 2.259 179.755 177.584 -0.146 0.000 1.176 87 A CA 0.903 52.874 52.037 -0.109 0.000 0.628 87 A CB -0.244 18.675 19.000 -0.135 0.000 0.816 87 A HN 0.196 nan 8.150 nan 0.000 0.444 88 R N -0.810 119.522 120.500 -0.280 0.000 2.062 88 R HA -0.106 4.249 4.340 0.025 0.000 0.231 88 R C 2.552 178.789 176.300 -0.106 0.000 1.136 88 R CA 1.493 57.378 56.100 -0.359 0.000 0.948 88 R CB -0.385 29.561 30.300 -0.590 0.000 0.845 88 R HN 0.577 nan 8.270 nan 0.000 0.430 89 R N 1.308 121.744 120.500 -0.108 0.000 2.103 89 R HA -0.222 4.133 4.340 0.025 0.000 0.242 89 R C 1.977 178.285 176.300 0.012 0.000 1.142 89 R CA 2.053 58.118 56.100 -0.059 0.000 0.960 89 R CB -0.159 30.116 30.300 -0.042 0.000 0.858 89 R HN 0.280 nan 8.270 nan 0.000 0.439 90 E N -0.361 119.874 120.200 0.057 0.000 2.077 90 E HA -0.145 4.220 4.350 0.025 0.000 0.193 90 E C 1.894 178.716 176.600 0.371 0.000 0.989 90 E CA 1.516 58.036 56.400 0.200 0.000 0.800 90 E CB 0.154 29.985 29.700 0.218 0.000 0.746 90 E HN 0.247 nan 8.360 nan 0.000 0.452 91 V N 1.291 121.347 119.914 0.238 0.000 2.307 91 V HA -0.255 3.880 4.120 0.025 0.000 0.245 91 V C 2.187 178.405 176.094 0.207 0.000 1.045 91 V CA 2.018 64.470 62.300 0.253 0.000 1.024 91 V CB -0.477 31.539 31.823 0.322 0.000 0.651 91 V HN 0.225 nan 8.190 nan 0.000 0.449 92 K N 0.605 121.060 120.400 0.091 0.000 2.103 92 K HA -0.246 4.089 4.320 0.025 0.000 0.207 92 K C 2.148 178.832 176.600 0.141 0.000 1.048 92 K CA 1.717 57.984 56.287 -0.033 0.000 0.930 92 K CB -0.417 31.846 32.500 -0.394 0.000 0.716 92 K HN 0.461 nan 8.250 nan 0.000 0.444 93 N N 0.944 119.697 118.700 0.089 0.000 2.084 93 N HA -0.182 4.573 4.740 0.025 0.000 0.190 93 N C 1.532 177.011 175.510 -0.050 0.000 1.030 93 N CA 1.631 54.673 53.050 -0.014 0.000 0.849 93 N CB -0.311 38.059 38.487 -0.194 0.000 1.012 93 N HN 0.270 nan 8.380 nan 0.000 0.423 94 Y N -0.142 120.188 120.300 0.050 0.000 2.439 94 Y HA 0.034 4.599 4.550 0.025 0.000 0.292 94 Y C 2.430 178.353 175.900 0.038 0.000 1.130 94 Y CA 0.397 58.516 58.100 0.033 0.000 1.254 94 Y CB -0.140 38.325 38.460 0.008 0.000 1.000 94 Y HN -0.094 nan 8.280 nan 0.000 0.554 95 V N -0.324 119.713 119.914 0.206 0.000 2.427 95 V HA -0.252 3.883 4.120 0.025 0.000 0.248 95 V C 2.134 178.310 176.094 0.137 0.000 1.051 95 V CA 1.220 63.610 62.300 0.149 0.000 1.048 95 V CB -0.460 31.453 31.823 0.151 0.000 0.666 95 V HN 0.330 nan 8.190 nan 0.000 0.456 96 L N -0.677 120.639 121.223 0.154 0.000 2.093 96 L HA -0.156 4.199 4.340 0.025 0.000 0.208 96 L C 2.481 179.392 176.870 0.067 0.000 1.085 96 L CA 1.776 56.682 54.840 0.110 0.000 0.755 96 L CB -1.562 40.567 42.059 0.117 0.000 0.904 96 L HN 0.361 nan 8.230 nan 0.000 0.435 97 Q N -0.624 119.209 119.800 0.057 0.000 2.084 97 Q HA -0.146 4.209 4.340 0.025 0.000 0.202 97 Q C 2.195 178.227 176.000 0.053 0.000 0.978 97 Q CA 2.117 57.945 55.803 0.041 0.000 0.844 97 Q CB -0.616 28.144 28.738 0.037 0.000 0.898 97 Q HN 0.442 nan 8.270 nan 0.000 0.426 98 T N 0.700 115.294 114.554 0.066 0.000 2.778 98 T HA -0.119 4.246 4.350 0.025 0.000 0.269 98 T C 0.538 175.273 174.700 0.058 0.000 1.050 98 T CA 0.418 62.553 62.100 0.059 0.000 1.137 98 T CB -0.265 68.635 68.868 0.052 0.000 0.860 98 T HN 0.172 nan 8.240 nan 0.000 0.468 99 L N 1.584 122.841 121.223 0.057 0.000 2.615 99 L HA 0.233 4.588 4.340 0.025 0.000 0.271 99 L C 1.666 178.574 176.870 0.063 0.000 1.183 99 L CA 0.617 55.490 54.840 0.056 0.000 0.933 99 L CB -0.051 42.034 42.059 0.044 0.000 1.199 99 L HN 0.524 nan 8.230 nan 0.000 0.487 100 G N 1.862 110.715 108.800 0.089 0.000 2.299 100 G HA2 -0.353 3.622 3.960 0.025 0.000 0.237 100 G HA3 -0.353 3.622 3.960 0.025 0.000 0.237 100 G C 0.810 175.760 174.900 0.083 0.000 1.027 100 G CA 0.469 45.630 45.100 0.101 0.000 0.619 100 G HN 0.656 nan 8.290 nan 0.000 0.513 101 T N -0.689 113.906 114.554 0.069 0.000 3.235 101 T HA 0.536 4.901 4.350 0.025 0.000 0.251 101 T C 0.491 175.234 174.700 0.073 0.000 1.060 101 T CA 0.766 62.898 62.100 0.053 0.000 0.949 101 T CB 0.329 69.222 68.868 0.043 0.000 1.020 101 T HN 0.580 nan 8.240 nan 0.000 0.564 102 E N 0.129 120.400 120.200 0.118 0.000 2.232 102 E HA 0.494 4.859 4.350 0.025 0.000 0.264 102 E C 0.053 176.780 176.600 0.211 0.000 0.973 102 E CA -0.722 55.766 56.400 0.146 0.000 0.849 102 E CB 1.794 31.582 29.700 0.146 0.000 1.198 102 E HN 0.145 nan 8.360 nan 0.000 0.407 103 T N -0.883 113.792 114.554 0.201 0.000 3.010 103 T HA -0.026 4.339 4.350 0.025 0.000 0.253 103 T C -0.101 174.717 174.700 0.197 0.000 0.939 103 T CA -0.351 61.876 62.100 0.212 0.000 0.910 103 T CB -0.090 68.851 68.868 0.122 0.000 1.226 103 T HN 0.454 nan 8.240 nan 0.000 0.508 104 Y N 4.402 124.741 120.300 0.065 0.000 2.834 104 Y HA 0.078 4.643 4.550 0.025 0.000 0.355 104 Y C 1.775 177.687 175.900 0.020 0.000 1.287 104 Y CA -0.588 57.534 58.100 0.036 0.000 1.647 104 Y CB 0.240 38.713 38.460 0.022 0.000 1.221 104 Y HN -0.071 nan 8.280 nan 0.000 0.519 105 R N 4.855 125.234 120.500 -0.201 0.000 2.196 105 R HA -0.171 4.185 4.340 0.025 0.000 0.244 105 R C -1.847 174.418 176.300 -0.058 0.000 1.121 105 R CA 1.955 57.968 56.100 -0.145 0.000 0.930 105 R CB -1.681 28.503 30.300 -0.193 0.000 0.890 105 R HN 0.540 nan 8.270 nan 0.000 0.435 106 P HA 0.154 nan 4.420 nan 0.000 0.280 106 P C -1.154 176.297 177.300 0.252 0.000 1.244 106 P CA -0.056 63.128 63.100 0.141 0.000 0.784 106 P CB 1.811 33.625 31.700 0.190 0.000 0.913 107 S N 1.620 117.397 115.700 0.128 0.000 2.528 107 S HA 0.156 4.641 4.470 0.025 0.000 0.277 107 S C 1.147 175.759 174.600 0.020 0.000 1.297 107 S CA -0.208 58.044 58.200 0.086 0.000 1.052 107 S CB 0.007 63.239 63.200 0.053 0.000 0.917 107 S HN 0.325 nan 8.310 nan 0.000 0.492 108 S N 4.142 119.820 115.700 -0.037 0.000 2.439 108 S HA 0.071 4.556 4.470 0.025 0.000 0.224 108 S C 2.183 176.721 174.600 -0.102 0.000 1.029 108 S CA 0.612 58.744 58.200 -0.113 0.000 0.946 108 S CB -0.373 62.720 63.200 -0.177 0.000 0.797 108 S HN 0.862 nan 8.310 nan 0.000 0.504 109 A N 1.794 124.581 122.820 -0.054 0.000 1.933 109 A HA -0.080 4.255 4.320 0.025 0.000 0.218 109 A C 2.253 179.815 177.584 -0.037 0.000 1.175 109 A CA 1.787 53.806 52.037 -0.030 0.000 0.628 109 A CB -0.879 18.130 19.000 0.014 0.000 0.814 109 A HN 0.423 nan 8.150 nan 0.000 0.444 110 S N 0.042 115.716 115.700 -0.042 0.000 2.365 110 S HA -0.248 4.237 4.470 0.025 0.000 0.225 110 S C 2.044 176.544 174.600 -0.167 0.000 1.039 110 S CA 1.727 59.901 58.200 -0.043 0.000 1.033 110 S CB -0.411 62.802 63.200 0.021 0.000 0.887 110 S HN 0.739 nan 8.310 nan 0.000 0.447 111 Q N -0.332 119.264 119.800 -0.341 0.000 2.291 111 Q HA -0.045 4.310 4.340 0.025 0.000 0.205 111 Q C 2.359 178.209 176.000 -0.249 0.000 0.970 111 Q CA 1.047 56.553 55.803 -0.494 0.000 0.876 111 Q CB -0.393 28.024 28.738 -0.535 0.000 0.935 111 Q HN 0.580 nan 8.270 nan 0.000 0.455 112 C N -0.304 118.897 119.300 -0.165 0.000 2.500 112 C HA -0.042 4.433 4.460 0.025 0.000 0.279 112 C C 2.707 177.668 174.990 -0.048 0.000 1.288 112 C CA 0.081 59.021 59.018 -0.129 0.000 1.710 112 C CB -0.779 26.897 27.740 -0.106 0.000 2.052 112 C HN 0.290 nan 8.230 nan 0.000 0.488 113 V N 1.928 121.868 119.914 0.043 0.000 2.282 113 V HA -0.292 3.843 4.120 0.025 0.000 0.249 113 V C 2.743 178.946 176.094 0.181 0.000 1.057 113 V CA 2.530 64.948 62.300 0.198 0.000 1.032 113 V CB -1.361 30.517 31.823 0.091 0.000 0.645 113 V HN 0.621 nan 8.190 nan 0.000 0.447 114 A N 0.254 123.109 122.820 0.059 0.000 1.898 114 A HA -0.033 4.303 4.320 0.025 0.000 0.216 114 A C 2.438 180.043 177.584 0.035 0.000 1.181 114 A CA 1.816 53.893 52.037 0.068 0.000 0.620 114 A CB -1.258 17.796 19.000 0.091 0.000 0.819 114 A HN 0.537 nan 8.150 nan 0.000 0.442 115 G N 0.231 109.002 108.800 -0.049 0.000 2.446 115 G HA2 -0.240 3.735 3.960 0.025 0.000 0.217 115 G HA3 -0.240 3.735 3.960 0.025 0.000 0.217 115 G C 1.522 176.307 174.900 -0.192 0.000 1.168 115 G CA 1.272 46.302 45.100 -0.117 0.000 0.771 115 G HN 0.482 nan 8.290 nan 0.000 0.551 116 I N 1.210 121.629 120.570 -0.252 0.000 2.286 116 I HA -0.089 4.096 4.170 0.025 0.000 0.245 116 I C 3.301 179.407 176.117 -0.018 0.000 1.104 116 I CA 0.760 61.794 61.300 -0.443 0.000 1.397 116 I CB -0.280 37.360 38.000 -0.600 0.000 1.072 116 I HN 0.251 nan 8.210 nan 0.000 0.417 117 A N 0.389 123.394 122.820 0.308 0.000 1.865 117 A HA -0.262 4.073 4.320 0.025 0.000 0.217 117 A C 2.375 180.074 177.584 0.191 0.000 1.191 117 A CA 1.988 54.264 52.037 0.399 0.000 0.623 117 A CB -1.357 17.791 19.000 0.248 0.000 0.826 117 A HN 0.560 nan 8.150 nan 0.000 0.444 118 C N -0.945 118.418 119.300 0.105 0.000 2.413 118 C HA 0.113 4.589 4.460 0.025 0.000 0.292 118 C C 2.901 177.938 174.990 0.078 0.000 1.435 118 C CA 0.802 59.865 59.018 0.075 0.000 1.791 118 C CB -1.575 26.199 27.740 0.056 0.000 1.784 118 C HN 0.677 nan 8.230 nan 0.000 0.548 119 A N -0.326 122.544 122.820 0.082 0.000 2.140 119 A HA 0.095 4.430 4.320 0.025 0.000 0.209 119 A C 1.772 179.470 177.584 0.189 0.000 1.181 119 A CA 0.353 52.466 52.037 0.127 0.000 0.824 119 A CB -0.103 18.968 19.000 0.117 0.000 0.879 119 A HN 0.621 nan 8.150 nan 0.000 0.480 120 E N -0.483 119.844 120.200 0.211 0.000 2.526 120 E HA 0.173 4.538 4.350 0.025 0.000 0.208 120 E C 0.847 177.575 176.600 0.213 0.000 0.997 120 E CA -0.279 56.261 56.400 0.233 0.000 0.961 120 E CB 0.386 30.251 29.700 0.276 0.000 1.030 120 E HN 0.400 nan 8.360 nan 0.000 0.483 121 I N 1.173 121.846 120.570 0.172 0.000 2.339 121 I HA -0.044 4.141 4.170 0.025 0.000 0.245 121 I C -0.752 175.407 176.117 0.069 0.000 1.096 121 I CA 0.430 61.797 61.300 0.113 0.000 1.408 121 I CB -1.864 36.176 38.000 0.067 0.000 1.092 121 I HN -0.028 nan 8.210 nan 0.000 0.423 122 P HA -0.109 nan 4.420 nan 0.000 0.218 122 P C 1.488 178.816 177.300 0.047 0.000 1.148 122 P CA 1.247 64.373 63.100 0.043 0.000 0.822 122 P CB -0.070 31.658 31.700 0.047 0.000 0.784 123 V N -5.369 114.584 119.914 0.065 0.000 3.342 123 V HA 0.298 4.433 4.120 0.025 0.000 0.322 123 V C -0.016 176.116 176.094 0.063 0.000 1.370 123 V CA -0.544 61.790 62.300 0.058 0.000 1.170 123 V CB -1.855 30.004 31.823 0.059 0.000 1.101 123 V HN 0.114 nan 8.190 nan 0.000 0.442 124 N N 1.830 120.573 118.700 0.072 0.000 2.650 124 N HA -0.273 4.483 4.740 0.025 0.000 0.272 124 N C 0.468 176.037 175.510 0.098 0.000 1.058 124 N CA 1.001 54.099 53.050 0.080 0.000 0.765 124 N CB -0.578 37.941 38.487 0.053 0.000 0.902 124 N HN 0.838 nan 8.380 nan 0.000 0.551 125 Q N -0.228 119.657 119.800 0.142 0.000 2.086 125 Q HA 0.118 4.473 4.340 0.025 0.000 0.220 125 Q C -1.015 175.122 176.000 0.229 0.000 0.792 125 Q CA -0.398 55.487 55.803 0.137 0.000 1.062 125 Q CB 0.534 29.324 28.738 0.088 0.000 1.198 125 Q HN 0.525 nan 8.270 nan 0.000 0.466 126 W N 0.818 122.149 121.300 0.052 0.000 1.590 126 W HA 0.426 5.100 4.660 0.023 0.000 0.299 126 W C -2.735 173.803 176.519 0.031 0.000 0.872 126 W CA -2.265 55.111 57.345 0.052 0.000 1.961 126 W CB 1.028 30.526 29.460 0.065 0.000 2.140 126 W HN 0.082 nan 8.180 nan 0.000 0.433 127 P HA -0.184 nan 4.420 nan 0.000 0.218 127 P C 1.163 178.488 177.300 0.043 0.000 1.149 127 P CA 1.946 65.110 63.100 0.106 0.000 0.817 127 P CB 0.541 32.299 31.700 0.097 0.000 0.785 128 E N -0.952 119.307 120.200 0.098 0.000 2.204 128 E HA -0.124 4.241 4.350 0.025 0.000 0.194 128 E C 1.744 178.229 176.600 -0.192 0.000 0.989 128 E CA 0.368 56.777 56.400 0.015 0.000 0.824 128 E CB -0.950 28.832 29.700 0.136 0.000 0.756 128 E HN 0.092 nan 8.360 nan 0.000 0.477 129 L N 0.734 121.647 121.223 -0.517 0.000 1.934 129 L HA -0.254 4.101 4.340 0.025 0.000 0.227 129 L C 1.895 178.517 176.870 -0.414 0.000 1.084 129 L CA 1.787 56.118 54.840 -0.848 0.000 0.790 129 L CB -0.708 40.610 42.059 -1.236 0.000 0.896 129 L HN 0.134 nan 8.230 nan 0.000 0.437 130 I N -0.139 120.261 120.570 -0.283 0.000 2.087 130 I HA -0.268 3.917 4.170 0.025 0.000 0.240 130 I C 0.094 176.138 176.117 -0.121 0.000 1.054 130 I CA 2.186 63.386 61.300 -0.167 0.000 1.311 130 I CB -2.977 34.959 38.000 -0.106 0.000 1.024 130 I HN 0.303 nan 8.210 nan 0.000 0.402 131 P HA -0.192 nan 4.420 nan 0.000 0.215 131 P C 1.793 179.053 177.300 -0.067 0.000 1.157 131 P CA 1.508 64.570 63.100 -0.063 0.000 0.868 131 P CB -0.076 31.598 31.700 -0.045 0.000 0.788 132 Q N -0.166 119.580 119.800 -0.090 0.000 2.124 132 Q HA -0.139 4.216 4.340 0.025 0.000 0.202 132 Q C 1.999 177.951 176.000 -0.081 0.000 0.977 132 Q CA 1.641 57.398 55.803 -0.077 0.000 0.850 132 Q CB -1.258 27.429 28.738 -0.085 0.000 0.901 132 Q HN 0.175 nan 8.270 nan 0.000 0.429 133 L N -0.951 120.201 121.223 -0.118 0.000 2.056 133 L HA -0.129 4.226 4.340 0.025 0.000 0.207 133 L C 2.267 179.103 176.870 -0.056 0.000 1.078 133 L CA 0.902 55.685 54.840 -0.096 0.000 0.749 133 L CB -0.485 41.496 42.059 -0.131 0.000 0.901 133 L HN 0.126 nan 8.230 nan 0.000 0.433 134 V N 0.080 119.962 119.914 -0.053 0.000 2.323 134 V HA -0.216 3.919 4.120 0.025 0.000 0.244 134 V C 2.753 178.834 176.094 -0.020 0.000 1.041 134 V CA 1.716 63.998 62.300 -0.030 0.000 1.025 134 V CB -0.851 30.956 31.823 -0.026 0.000 0.656 134 V HN 0.447 nan 8.190 nan 0.000 0.451 135 A N 0.233 123.039 122.820 -0.024 0.000 1.933 135 A HA -0.232 4.103 4.320 0.025 0.000 0.218 135 A C 2.025 179.602 177.584 -0.011 0.000 1.175 135 A CA 1.972 53.999 52.037 -0.016 0.000 0.628 135 A CB -0.733 18.257 19.000 -0.017 0.000 0.814 135 A HN 0.551 nan 8.150 nan 0.000 0.444 136 N N -0.622 118.069 118.700 -0.015 0.000 2.289 136 N HA -0.093 4.662 4.740 0.025 0.000 0.184 136 N C 1.316 176.827 175.510 0.000 0.000 1.016 136 N CA 1.364 54.410 53.050 -0.007 0.000 0.872 136 N CB -0.030 38.451 38.487 -0.010 0.000 0.973 136 N HN 0.273 nan 8.380 nan 0.000 0.433 137 V N -0.140 119.773 119.914 -0.002 0.000 3.645 137 V HA 0.050 4.186 4.120 0.025 0.000 0.275 137 V C 1.617 177.714 176.094 0.005 0.000 1.356 137 V CA 1.310 63.612 62.300 0.003 0.000 1.051 137 V CB -0.061 31.763 31.823 0.001 0.000 0.828 137 V HN 0.422 nan 8.190 nan 0.000 0.441 138 T N -2.320 112.235 114.554 0.003 0.000 3.057 138 T HA 0.077 4.443 4.350 0.025 0.000 0.254 138 T C 0.997 175.700 174.700 0.004 0.000 1.094 138 T CA 0.093 62.197 62.100 0.005 0.000 1.088 138 T CB -0.381 68.489 68.868 0.004 0.000 0.934 138 T HN 0.343 nan 8.240 nan 0.000 0.497 139 N N 3.007 121.709 118.700 0.003 0.000 2.452 139 N HA 0.139 4.895 4.740 0.025 0.000 0.266 139 N C -1.988 173.525 175.510 0.005 0.000 1.175 139 N CA -1.654 51.397 53.050 0.003 0.000 0.945 139 N CB 1.707 40.195 38.487 0.002 0.000 1.063 139 N HN 0.020 nan 8.380 nan 0.000 0.472 140 P HA -0.027 nan 4.420 nan 0.000 0.220 140 P C 0.113 177.416 177.300 0.004 0.000 1.148 140 P CA 1.204 64.307 63.100 0.004 0.000 0.803 140 P CB 0.296 31.998 31.700 0.003 0.000 0.782 141 N N -1.595 117.107 118.700 0.004 0.000 2.467 141 N HA -0.005 4.750 4.740 0.025 0.000 0.184 141 N C 0.005 175.518 175.510 0.005 0.000 1.106 141 N CA 0.290 53.342 53.050 0.003 0.000 0.892 141 N CB -0.397 38.091 38.487 0.001 0.000 0.969 141 N HN -0.030 nan 8.380 nan 0.000 0.454 142 S N 1.022 116.727 115.700 0.008 0.000 2.498 142 S HA 0.052 4.537 4.470 0.025 0.000 0.281 142 S C 0.876 175.487 174.600 0.017 0.000 1.265 142 S CA -0.438 57.770 58.200 0.013 0.000 1.071 142 S CB 0.228 63.437 63.200 0.015 0.000 0.894 142 S HN 0.401 nan 8.310 nan 0.000 0.491 143 T N 0.679 115.244 114.554 0.019 0.000 2.680 143 T HA 0.112 4.477 4.350 0.025 0.000 0.314 143 T C 1.218 175.949 174.700 0.051 0.000 1.045 143 T CA -0.402 61.710 62.100 0.019 0.000 1.025 143 T CB 0.418 69.284 68.868 -0.004 0.000 1.000 143 T HN 0.691 nan 8.240 nan 0.000 0.535 144 E N -0.068 120.172 120.200 0.068 0.000 2.033 144 E HA -0.272 4.093 4.350 0.025 0.000 0.199 144 E C 1.953 178.662 176.600 0.182 0.000 1.011 144 E CA 1.697 58.168 56.400 0.118 0.000 0.815 144 E CB -0.323 29.469 29.700 0.153 0.000 0.755 144 E HN 0.824 nan 8.360 nan 0.000 0.451 145 H N -0.674 118.403 119.070 0.012 0.000 2.352 145 H HA -0.170 4.401 4.556 0.025 0.000 0.299 145 H C 2.292 177.631 175.328 0.019 0.000 1.097 145 H CA 1.302 57.361 56.048 0.018 0.000 1.311 145 H CB -0.104 29.672 29.762 0.023 0.000 1.377 145 H HN 0.268 nan 8.280 nan 0.000 0.504 146 M N 1.716 121.404 119.600 0.147 0.000 2.108 146 M HA -0.159 4.336 4.480 0.025 0.000 0.261 146 M C 1.731 178.063 176.300 0.053 0.000 1.066 146 M CA 1.750 57.097 55.300 0.079 0.000 1.107 146 M CB -0.071 32.560 32.600 0.052 0.000 1.356 146 M HN -0.043 nan 8.290 nan 0.000 0.406 147 K N -0.715 119.715 120.400 0.050 0.000 2.228 147 K HA -0.095 4.240 4.320 0.025 0.000 0.202 147 K C 2.030 178.643 176.600 0.023 0.000 1.051 147 K CA 1.188 57.493 56.287 0.029 0.000 0.960 147 K CB -0.066 32.449 32.500 0.025 0.000 0.743 147 K HN 0.589 nan 8.250 nan 0.000 0.458 148 E N 0.910 121.126 120.200 0.027 0.000 2.011 148 E HA -0.135 4.230 4.350 0.025 0.000 0.191 148 E C 1.915 178.519 176.600 0.006 0.000 0.980 148 E CA 1.357 57.758 56.400 0.002 0.000 0.814 148 E CB 0.091 29.772 29.700 -0.031 0.000 0.775 148 E HN 0.199 nan 8.360 nan 0.000 0.454 149 S N -0.265 115.442 115.700 0.011 0.000 2.440 149 S HA -0.140 4.345 4.470 0.025 0.000 0.238 149 S C 1.983 176.607 174.600 0.040 0.000 1.010 149 S CA 1.615 59.832 58.200 0.029 0.000 0.972 149 S CB -0.599 62.622 63.200 0.036 0.000 0.774 149 S HN 0.214 nan 8.310 nan 0.000 0.501 150 T N 2.574 117.146 114.554 0.029 0.000 2.812 150 T HA 0.206 4.571 4.350 0.025 0.000 0.264 150 T C 1.655 176.365 174.700 0.016 0.000 1.042 150 T CA 1.150 63.260 62.100 0.017 0.000 1.140 150 T CB -0.392 68.480 68.868 0.006 0.000 0.870 150 T HN 0.324 nan 8.240 nan 0.000 0.445 151 L N 0.547 121.779 121.223 0.015 0.000 2.156 151 L HA 0.003 4.358 4.340 0.025 0.000 0.208 151 L C 2.641 179.525 176.870 0.023 0.000 1.095 151 L CA 1.176 56.022 54.840 0.010 0.000 0.770 151 L CB -0.394 41.664 42.059 -0.002 0.000 0.914 151 L HN 0.276 nan 8.230 nan 0.000 0.439 152 E N -0.001 120.226 120.200 0.045 0.000 2.150 152 E HA -0.180 4.185 4.350 0.025 0.000 0.193 152 E C 2.274 178.997 176.600 0.206 0.000 0.985 152 E CA 0.925 57.379 56.400 0.088 0.000 0.814 152 E CB -0.015 29.758 29.700 0.121 0.000 0.752 152 E HN 0.490 nan 8.360 nan 0.000 0.466 153 A N 0.990 123.904 122.820 0.156 0.000 1.898 153 A HA -0.154 4.182 4.320 0.025 0.000 0.216 153 A C 2.100 179.763 177.584 0.131 0.000 1.181 153 A CA 0.945 53.076 52.037 0.158 0.000 0.620 153 A CB -0.499 18.535 19.000 0.058 0.000 0.819 153 A HN 0.161 nan 8.150 nan 0.000 0.442 154 I N -0.149 120.460 120.570 0.065 0.000 2.286 154 I HA -0.197 3.988 4.170 0.025 0.000 0.248 154 I C 2.662 178.815 176.117 0.061 0.000 1.115 154 I CA 0.994 62.321 61.300 0.044 0.000 1.392 154 I CB -0.761 37.250 38.000 0.019 0.000 1.065 154 I HN 0.390 nan 8.210 nan 0.000 0.418 155 G N 0.463 109.284 108.800 0.035 0.000 2.459 155 G HA2 -0.281 3.695 3.960 0.025 0.000 0.217 155 G HA3 -0.281 3.695 3.960 0.025 0.000 0.217 155 G C 1.497 176.372 174.900 -0.041 0.000 1.183 155 G CA 0.745 45.821 45.100 -0.040 0.000 0.776 155 G HN 0.269 nan 8.290 nan 0.000 0.552 156 Y N 0.735 121.046 120.300 0.018 0.000 2.207 156 Y HA -0.068 4.497 4.550 0.025 0.000 0.287 156 Y C 2.798 178.719 175.900 0.034 0.000 1.156 156 Y CA 1.006 59.119 58.100 0.021 0.000 1.182 156 Y CB -0.243 38.225 38.460 0.013 0.000 0.979 156 Y HN 0.134 nan 8.280 nan 0.000 0.521 157 I N -1.395 119.287 120.570 0.186 0.000 2.163 157 I HA -0.375 3.810 4.170 0.025 0.000 0.243 157 I C 2.207 178.406 176.117 0.137 0.000 1.085 157 I CA 1.233 62.608 61.300 0.126 0.000 1.347 157 I CB -0.602 37.442 38.000 0.074 0.000 1.044 157 I HN 0.294 nan 8.210 nan 0.000 0.408 158 C N 0.227 119.620 119.300 0.154 0.000 2.435 158 C HA -0.128 4.347 4.460 0.025 0.000 0.279 158 C C 2.786 177.888 174.990 0.186 0.000 1.321 158 C CA 0.628 59.796 59.018 0.252 0.000 1.752 158 C CB -1.092 26.770 27.740 0.204 0.000 1.959 158 C HN 0.527 nan 8.230 nan 0.000 0.500 159 Q N 0.632 120.490 119.800 0.097 0.000 1.994 159 Q HA -0.127 4.228 4.340 0.025 0.000 0.198 159 Q C 1.220 177.273 176.000 0.089 0.000 0.976 159 Q CA 1.267 57.106 55.803 0.059 0.000 0.828 159 Q CB -0.204 28.543 28.738 0.014 0.000 0.894 159 Q HN 0.606 nan 8.270 nan 0.000 0.432 160 D N -0.114 120.351 120.400 0.108 0.000 2.340 160 D HA 0.068 4.723 4.640 0.025 0.000 0.220 160 D C 0.102 176.457 176.300 0.092 0.000 1.039 160 D CA 0.034 54.092 54.000 0.096 0.000 0.866 160 D CB 0.052 40.913 40.800 0.103 0.000 0.913 160 D HN 0.098 nan 8.370 nan 0.000 0.523 161 I N 1.159 121.797 120.570 0.113 0.000 2.662 161 I HA 0.052 4.237 4.170 0.025 0.000 0.291 161 I C 0.077 176.255 176.117 0.102 0.000 1.046 161 I CA -0.839 60.518 61.300 0.095 0.000 1.361 161 I CB 0.907 38.954 38.000 0.079 0.000 1.429 161 I HN -0.284 nan 8.210 nan 0.000 0.558 162 D N 8.407 128.847 120.400 0.067 0.000 2.382 162 D HA 0.134 4.789 4.640 0.025 0.000 0.259 162 D C -1.778 174.577 176.300 0.092 0.000 1.224 162 D CA -1.728 52.313 54.000 0.068 0.000 0.894 162 D CB 1.170 41.996 40.800 0.043 0.000 1.127 162 D HN 0.297 nan 8.370 nan 0.000 0.487 163 P HA -0.164 nan 4.420 nan 0.000 0.218 163 P C 0.156 177.568 177.300 0.187 0.000 1.152 163 P CA 1.092 64.351 63.100 0.266 0.000 0.857 163 P CB 0.209 32.015 31.700 0.177 0.000 0.787 164 E N -0.925 119.331 120.200 0.093 0.000 2.422 164 E HA 0.024 4.389 4.350 0.025 0.000 0.267 164 E C 0.832 177.434 176.600 0.004 0.000 1.466 164 E CA 0.325 56.758 56.400 0.055 0.000 1.767 164 E CB 0.416 30.145 29.700 0.048 0.000 1.471 164 E HN 0.246 nan 8.360 nan 0.000 0.446 165 Q N -0.794 118.969 119.800 -0.062 0.000 2.485 165 Q HA 0.221 4.576 4.340 0.025 0.000 0.228 165 Q C 1.090 176.959 176.000 -0.217 0.000 0.763 165 Q CA 0.135 55.876 55.803 -0.103 0.000 0.959 165 Q CB 0.541 29.237 28.738 -0.070 0.000 1.314 165 Q HN 0.233 nan 8.270 nan 0.000 0.508 166 L N 1.941 122.871 121.223 -0.489 0.000 2.682 166 L HA 0.079 4.435 4.340 0.025 0.000 0.240 166 L C 1.185 177.755 176.870 -0.499 0.000 1.178 166 L CA 0.114 54.545 54.840 -0.681 0.000 0.970 166 L CB 0.025 41.278 42.059 -1.342 0.000 1.179 166 L HN 0.250 nan 8.230 nan 0.000 0.435 167 Q N 0.035 119.697 119.800 -0.231 0.000 2.049 167 Q HA -0.149 4.206 4.340 0.025 0.000 0.198 167 Q C 1.411 177.394 176.000 -0.028 0.000 0.971 167 Q CA 1.327 57.102 55.803 -0.048 0.000 0.833 167 Q CB 0.013 28.759 28.738 0.014 0.000 0.896 167 Q HN 0.481 nan 8.270 nan 0.000 0.434 168 D N 1.069 121.442 120.400 -0.045 0.000 2.123 168 D HA -0.119 4.536 4.640 0.025 0.000 0.196 168 D C 0.682 176.967 176.300 -0.024 0.000 0.992 168 D CA 1.260 55.247 54.000 -0.022 0.000 0.833 168 D CB 0.018 40.806 40.800 -0.022 0.000 0.954 168 D HN 0.113 nan 8.370 nan 0.000 0.455 169 K N 0.092 120.460 120.400 -0.054 0.000 2.675 169 K HA 0.139 4.474 4.320 0.025 0.000 0.213 169 K C 1.434 178.020 176.600 -0.024 0.000 1.074 169 K CA -0.157 56.104 56.287 -0.043 0.000 1.172 169 K CB 0.636 33.099 32.500 -0.063 0.000 0.927 169 K HN 0.003 nan 8.250 nan 0.000 0.471 170 S N -0.178 115.527 115.700 0.007 0.000 2.371 170 S HA -0.121 4.365 4.470 0.025 0.000 0.224 170 S C 1.736 176.382 174.600 0.076 0.000 1.029 170 S CA 0.897 59.146 58.200 0.081 0.000 0.978 170 S CB -0.161 63.123 63.200 0.140 0.000 0.833 170 S HN 0.233 nan 8.310 nan 0.000 0.466 171 N N 1.935 120.667 118.700 0.052 0.000 2.025 171 N HA -0.085 4.670 4.740 0.025 0.000 0.194 171 N C 1.848 177.380 175.510 0.036 0.000 1.044 171 N CA 1.789 54.866 53.050 0.045 0.000 0.851 171 N CB -0.743 37.762 38.487 0.031 0.000 1.036 171 N HN 0.534 nan 8.380 nan 0.000 0.422 172 E N 0.639 120.850 120.200 0.019 0.000 2.106 172 E HA 0.037 4.402 4.350 0.025 0.000 0.192 172 E C 2.031 178.638 176.600 0.011 0.000 0.984 172 E CA 0.591 56.996 56.400 0.008 0.000 0.806 172 E CB -0.217 29.477 29.700 -0.009 0.000 0.750 172 E HN 0.349 nan 8.360 nan 0.000 0.458 173 I N 0.104 120.684 120.570 0.015 0.000 2.202 173 I HA -0.238 3.947 4.170 0.025 0.000 0.242 173 I C 2.351 178.492 176.117 0.040 0.000 1.091 173 I CA 0.771 62.085 61.300 0.023 0.000 1.368 173 I CB -0.210 37.813 38.000 0.039 0.000 1.058 173 I HN 0.217 nan 8.210 nan 0.000 0.410 174 L N 0.413 121.671 121.223 0.058 0.000 2.191 174 L HA -0.221 4.135 4.340 0.025 0.000 0.212 174 L C 2.491 179.388 176.870 0.046 0.000 1.103 174 L CA 1.644 56.517 54.840 0.055 0.000 0.769 174 L CB -0.507 41.593 42.059 0.069 0.000 0.908 174 L HN 0.331 nan 8.230 nan 0.000 0.438 175 T N -0.117 114.469 114.554 0.053 0.000 2.674 175 T HA -0.160 4.205 4.350 0.025 0.000 0.265 175 T C 1.916 176.643 174.700 0.045 0.000 1.039 175 T CA 1.389 63.528 62.100 0.065 0.000 1.150 175 T CB -0.227 68.669 68.868 0.047 0.000 0.864 175 T HN 0.521 nan 8.240 nan 0.000 0.427 176 A N 1.099 123.933 122.820 0.023 0.000 1.902 176 A HA -0.039 4.296 4.320 0.025 0.000 0.217 176 A C 2.300 179.887 177.584 0.005 0.000 1.181 176 A CA 1.300 53.344 52.037 0.011 0.000 0.623 176 A CB -0.826 18.174 19.000 -0.001 0.000 0.818 176 A HN 0.534 nan 8.150 nan 0.000 0.443 177 I N -0.330 120.241 120.570 0.002 0.000 2.142 177 I HA -0.273 3.912 4.170 0.025 0.000 0.240 177 I C 2.343 178.439 176.117 -0.036 0.000 1.078 177 I CA 1.496 62.787 61.300 -0.014 0.000 1.343 177 I CB -0.427 37.566 38.000 -0.012 0.000 1.046 177 I HN 0.298 nan 8.210 nan 0.000 0.405 178 I N 0.326 120.870 120.570 -0.043 0.000 2.208 178 I HA -0.319 3.866 4.170 0.025 0.000 0.245 178 I C 2.646 178.732 176.117 -0.053 0.000 1.097 178 I CA 1.331 62.571 61.300 -0.101 0.000 1.363 178 I CB -0.371 37.543 38.000 -0.143 0.000 1.051 178 I HN 0.290 nan 8.210 nan 0.000 0.413 179 Q N 1.218 121.024 119.800 0.010 0.000 2.226 179 Q HA -0.133 4.222 4.340 0.025 0.000 0.204 179 Q C 1.963 177.964 176.000 0.002 0.000 0.975 179 Q CA 1.796 57.616 55.803 0.029 0.000 0.866 179 Q CB -0.441 28.320 28.738 0.038 0.000 0.915 179 Q HN 0.498 nan 8.270 nan 0.000 0.440 180 G N -0.963 107.829 108.800 -0.014 0.000 2.623 180 G HA2 -0.058 3.917 3.960 0.025 0.000 0.214 180 G HA3 -0.058 3.917 3.960 0.025 0.000 0.214 180 G C 1.148 176.028 174.900 -0.033 0.000 1.138 180 G CA 0.276 45.365 45.100 -0.018 0.000 0.794 180 G HN 0.334 nan 8.290 nan 0.000 0.535 181 M N 0.563 120.131 119.600 -0.054 0.000 2.510 181 M HA 0.165 4.660 4.480 0.025 0.000 0.256 181 M C 1.247 177.505 176.300 -0.070 0.000 1.132 181 M CA -0.157 55.100 55.300 -0.073 0.000 1.105 181 M CB 0.188 32.723 32.600 -0.108 0.000 1.375 181 M HN 0.159 nan 8.290 nan 0.000 0.477 182 R N 1.969 122.436 120.500 -0.055 0.000 2.566 182 R HA -0.079 4.276 4.340 0.025 0.000 0.273 182 R C 0.711 176.993 176.300 -0.029 0.000 0.981 182 R CA 0.468 56.547 56.100 -0.036 0.000 1.091 182 R CB 0.289 30.591 30.300 0.004 0.000 0.924 182 R HN 0.163 nan 8.270 nan 0.000 0.411 183 K N 2.059 122.441 120.400 -0.030 0.000 2.218 183 K HA -0.238 4.097 4.320 0.025 0.000 0.205 183 K C 0.862 177.454 176.600 -0.013 0.000 1.046 183 K CA 2.111 58.383 56.287 -0.024 0.000 0.933 183 K CB 0.145 32.632 32.500 -0.022 0.000 0.728 183 K HN 0.709 nan 8.250 nan 0.000 0.454 184 E N 1.211 121.408 120.200 -0.005 0.000 2.077 184 E HA -0.155 4.210 4.350 0.025 0.000 0.193 184 E C 0.186 176.785 176.600 -0.002 0.000 0.989 184 E CA 0.781 57.181 56.400 0.000 0.000 0.800 184 E CB -0.174 29.530 29.700 0.007 0.000 0.746 184 E HN 0.258 nan 8.360 nan 0.000 0.452 185 E N 1.080 121.278 120.200 -0.004 0.000 2.729 185 E HA -0.089 4.276 4.350 0.025 0.000 0.246 185 E C -1.860 174.738 176.600 -0.004 0.000 0.984 185 E CA -0.643 55.755 56.400 -0.003 0.000 0.951 185 E CB 0.662 30.357 29.700 -0.008 0.000 0.914 185 E HN -0.063 nan 8.360 nan 0.000 0.509 186 P HA -0.058 nan 4.420 nan 0.000 0.216 186 P C -0.140 177.160 177.300 0.001 0.000 1.153 186 P CA 0.619 63.720 63.100 0.001 0.000 0.844 186 P CB 0.250 31.952 31.700 0.004 0.000 0.787 187 S N 0.224 115.927 115.700 0.005 0.000 2.481 187 S HA 0.109 4.594 4.470 0.025 0.000 0.276 187 S C 1.255 175.854 174.600 -0.002 0.000 1.247 187 S CA -0.523 57.681 58.200 0.007 0.000 1.053 187 S CB -0.484 62.727 63.200 0.018 0.000 0.925 187 S HN -0.066 nan 8.310 nan 0.000 0.491 188 N N 4.806 123.503 118.700 -0.005 0.000 2.381 188 N HA -0.067 4.688 4.740 0.025 0.000 0.182 188 N C 1.057 176.557 175.510 -0.017 0.000 1.025 188 N CA 0.751 53.793 53.050 -0.014 0.000 0.888 188 N CB -0.309 38.170 38.487 -0.014 0.000 0.965 188 N HN 0.605 nan 8.380 nan 0.000 0.438 189 N N 0.542 119.235 118.700 -0.012 0.000 2.106 189 N HA -0.076 4.679 4.740 0.025 0.000 0.188 189 N C 1.913 177.411 175.510 -0.020 0.000 1.029 189 N CA 0.637 53.676 53.050 -0.019 0.000 0.848 189 N CB -0.693 37.783 38.487 -0.018 0.000 1.007 189 N HN -0.003 nan 8.380 nan 0.000 0.423 190 V N 1.525 121.433 119.914 -0.009 0.000 2.332 190 V HA -0.218 3.917 4.120 0.025 0.000 0.248 190 V C 2.279 178.362 176.094 -0.019 0.000 1.055 190 V CA 1.505 63.800 62.300 -0.008 0.000 1.038 190 V CB -0.426 31.399 31.823 0.003 0.000 0.651 190 V HN 0.296 nan 8.190 nan 0.000 0.450 191 K N -0.540 119.847 120.400 -0.022 0.000 2.009 191 K HA -0.218 4.118 4.320 0.025 0.000 0.210 191 K C 2.141 178.717 176.600 -0.039 0.000 1.049 191 K CA 1.837 58.105 56.287 -0.032 0.000 0.929 191 K CB -0.460 32.021 32.500 -0.032 0.000 0.714 191 K HN 0.302 nan 8.250 nan 0.000 0.440 192 L N 1.085 122.286 121.223 -0.037 0.000 1.970 192 L HA -0.196 4.160 4.340 0.025 0.000 0.212 192 L C 2.174 179.018 176.870 -0.044 0.000 1.071 192 L CA 2.252 57.067 54.840 -0.042 0.000 0.751 192 L CB -0.879 41.158 42.059 -0.038 0.000 0.889 192 L HN 0.181 nan 8.230 nan 0.000 0.432 193 A N -0.578 122.219 122.820 -0.038 0.000 1.940 193 A HA -0.136 4.199 4.320 0.025 0.000 0.219 193 A C 2.424 179.985 177.584 -0.038 0.000 1.176 193 A CA 2.021 54.035 52.037 -0.037 0.000 0.631 193 A CB -1.217 17.767 19.000 -0.026 0.000 0.814 193 A HN 0.661 nan 8.150 nan 0.000 0.446 194 A N -1.091 121.707 122.820 -0.036 0.000 1.930 194 A HA -0.024 4.311 4.320 0.025 0.000 0.217 194 A C 2.286 179.839 177.584 -0.051 0.000 1.175 194 A CA 2.134 54.148 52.037 -0.038 0.000 0.627 194 A CB -1.027 17.951 19.000 -0.037 0.000 0.815 194 A HN 0.447 nan 8.150 nan 0.000 0.443 195 T N 0.760 115.279 114.554 -0.058 0.000 2.770 195 T HA -0.104 4.261 4.350 0.025 0.000 0.263 195 T C 1.740 176.399 174.700 -0.068 0.000 1.039 195 T CA 1.305 63.364 62.100 -0.068 0.000 1.142 195 T CB -0.403 68.423 68.868 -0.070 0.000 0.868 195 T HN 0.456 nan 8.240 nan 0.000 0.435 196 N N 1.661 120.320 118.700 -0.068 0.000 2.272 196 N HA -0.007 4.748 4.740 0.025 0.000 0.185 196 N C 1.968 177.430 175.510 -0.080 0.000 1.014 196 N CA 1.163 54.166 53.050 -0.078 0.000 0.870 196 N CB -0.470 37.965 38.487 -0.086 0.000 0.975 196 N HN 0.469 nan 8.380 nan 0.000 0.433 197 A N 0.800 123.582 122.820 -0.064 0.000 1.872 197 A HA -0.038 4.297 4.320 0.025 0.000 0.214 197 A C 2.200 179.761 177.584 -0.039 0.000 1.187 197 A CA 0.776 52.785 52.037 -0.047 0.000 0.614 197 A CB -0.718 18.265 19.000 -0.028 0.000 0.826 197 A HN 0.228 nan 8.150 nan 0.000 0.442 198 L N -0.521 120.674 121.223 -0.046 0.000 2.043 198 L HA -0.165 4.190 4.340 0.025 0.000 0.212 198 L C 2.217 179.051 176.870 -0.059 0.000 1.075 198 L CA 2.122 56.935 54.840 -0.045 0.000 0.752 198 L CB -0.678 41.345 42.059 -0.060 0.000 0.891 198 L HN 0.334 nan 8.230 nan 0.000 0.432 199 L N 0.233 121.414 121.223 -0.070 0.000 2.042 199 L HA -0.243 4.112 4.340 0.025 0.000 0.210 199 L C 2.138 178.949 176.870 -0.098 0.000 1.076 199 L CA 1.899 56.691 54.840 -0.081 0.000 0.749 199 L CB -1.041 40.970 42.059 -0.080 0.000 0.893 199 L HN 0.438 nan 8.230 nan 0.000 0.432 200 N N -0.968 117.677 118.700 -0.091 0.000 2.396 200 N HA -0.078 4.677 4.740 0.025 0.000 0.180 200 N C 1.847 177.267 175.510 -0.149 0.000 1.028 200 N CA 1.188 54.178 53.050 -0.100 0.000 0.893 200 N CB -0.289 38.160 38.487 -0.064 0.000 0.967 200 N HN 0.589 nan 8.380 nan 0.000 0.440 201 S N -0.008 115.625 115.700 -0.112 0.000 2.528 201 S HA 0.161 4.646 4.470 0.025 0.000 0.219 201 S C 1.764 176.200 174.600 -0.272 0.000 0.985 201 S CA -0.164 57.963 58.200 -0.122 0.000 0.914 201 S CB -0.375 62.867 63.200 0.070 0.000 0.776 201 S HN 0.149 nan 8.310 nan 0.000 0.526 202 L N 1.390 122.490 121.223 -0.205 0.000 2.447 202 L HA -0.089 4.267 4.340 0.025 0.000 0.225 202 L C 2.561 179.299 176.870 -0.220 0.000 1.148 202 L CA 0.884 55.638 54.840 -0.142 0.000 0.808 202 L CB -0.568 41.434 42.059 -0.096 0.000 0.928 202 L HN 0.337 nan 8.230 nan 0.000 0.448 203 E N 0.674 120.553 120.200 -0.534 0.000 2.038 203 E HA -0.207 4.158 4.350 0.025 0.000 0.195 203 E C 1.589 177.933 176.600 -0.428 0.000 1.000 203 E CA 1.720 57.745 56.400 -0.626 0.000 0.803 203 E CB -0.294 28.775 29.700 -1.052 0.000 0.750 203 E HN 0.636 nan 8.360 nan 0.000 0.448 204 F N 0.291 120.283 119.950 0.071 0.000 2.639 204 F HA 0.231 4.772 4.527 0.023 0.000 0.302 204 F C 1.854 177.721 175.800 0.112 0.000 1.097 204 F CA 0.183 58.233 58.000 0.082 0.000 1.294 204 F CB -0.776 38.258 39.000 0.057 0.000 1.027 204 F HN -0.183 nan 8.300 nan 0.000 0.550 205 T N -1.893 112.780 114.554 0.197 0.000 2.946 205 T HA -0.219 4.146 4.350 0.025 0.000 0.271 205 T C 1.627 176.477 174.700 0.250 0.000 1.104 205 T CA 1.081 63.307 62.100 0.211 0.000 1.114 205 T CB -0.411 68.551 68.868 0.158 0.000 0.867 205 T HN 0.411 nan 8.240 nan 0.000 0.513 206 K N 2.122 122.705 120.400 0.305 0.000 2.089 206 K HA -0.105 4.230 4.320 0.025 0.000 0.210 206 K C 2.717 179.475 176.600 0.263 0.000 1.048 206 K CA 1.551 58.056 56.287 0.364 0.000 0.926 206 K CB -0.860 31.812 32.500 0.286 0.000 0.714 206 K HN 0.505 nan 8.250 nan 0.000 0.448 207 A N 2.511 125.443 122.820 0.186 0.000 1.902 207 A HA -0.177 4.158 4.320 0.025 0.000 0.217 207 A C 1.882 179.520 177.584 0.090 0.000 1.181 207 A CA 1.619 53.733 52.037 0.128 0.000 0.623 207 A CB -0.475 18.586 19.000 0.102 0.000 0.818 207 A HN 0.309 nan 8.150 nan 0.000 0.443 208 N N -0.870 117.887 118.700 0.095 0.000 2.166 208 N HA -0.113 4.643 4.740 0.025 0.000 0.186 208 N C 1.199 176.691 175.510 -0.029 0.000 1.019 208 N CA 1.255 54.333 53.050 0.046 0.000 0.856 208 N CB -0.582 37.950 38.487 0.076 0.000 0.993 208 N HN 0.528 nan 8.380 nan 0.000 0.426 209 F N 1.027 120.874 119.950 -0.173 0.000 2.780 209 F HA 0.061 4.603 4.527 0.024 0.000 0.299 209 F C 1.515 177.078 175.800 -0.394 0.000 1.146 209 F CA 0.403 58.185 58.000 -0.363 0.000 1.428 209 F CB 0.323 38.863 39.000 -0.766 0.000 1.115 209 F HN -0.101 nan 8.300 nan 0.000 0.583 210 D N 0.245 120.597 120.400 -0.080 0.000 2.340 210 D HA 0.019 4.674 4.640 0.025 0.000 0.220 210 D C 0.026 176.248 176.300 -0.130 0.000 1.039 210 D CA 0.437 54.353 54.000 -0.140 0.000 0.866 210 D CB 0.177 41.008 40.800 0.051 0.000 0.913 210 D HN 0.202 nan 8.370 nan 0.000 0.523 211 K N 1.242 121.566 120.400 -0.126 0.000 2.316 211 K HA 0.123 4.458 4.320 0.025 0.000 0.267 211 K C 0.974 177.510 176.600 -0.106 0.000 1.025 211 K CA -0.305 55.931 56.287 -0.084 0.000 0.896 211 K CB 2.311 34.782 32.500 -0.049 0.000 1.124 211 K HN -0.076 nan 8.250 nan 0.000 0.451 212 E N 2.367 122.526 120.200 -0.068 0.000 2.108 212 E HA -0.318 4.047 4.350 0.025 0.000 0.203 212 E C 1.394 177.996 176.600 0.003 0.000 1.022 212 E CA 2.531 58.913 56.400 -0.029 0.000 0.823 212 E CB 0.151 29.845 29.700 -0.010 0.000 0.744 212 E HN 0.667 nan 8.360 nan 0.000 0.456 213 S N 0.322 116.016 115.700 -0.010 0.000 2.353 213 S HA -0.232 4.253 4.470 0.025 0.000 0.222 213 S C 1.881 176.513 174.600 0.052 0.000 1.035 213 S CA 1.527 59.736 58.200 0.014 0.000 1.025 213 S CB -0.482 62.706 63.200 -0.022 0.000 0.902 213 S HN 0.383 nan 8.310 nan 0.000 0.440 214 E N 1.247 121.444 120.200 -0.004 0.000 2.028 214 E HA -0.094 4.272 4.350 0.025 0.000 0.190 214 E C 2.451 178.973 176.600 -0.130 0.000 0.984 214 E CA 0.782 57.186 56.400 0.007 0.000 0.800 214 E CB -0.275 29.404 29.700 -0.034 0.000 0.758 214 E HN 0.505 nan 8.360 nan 0.000 0.448 215 R N 0.691 121.003 120.500 -0.314 0.000 2.113 215 R HA -0.279 4.076 4.340 0.025 0.000 0.244 215 R C 2.312 178.346 176.300 -0.443 0.000 1.142 215 R CA 2.233 57.923 56.100 -0.684 0.000 0.953 215 R CB -0.425 29.529 30.300 -0.577 0.000 0.860 215 R HN 0.280 nan 8.270 nan 0.000 0.438 216 H N -0.668 118.307 119.070 -0.159 0.000 2.357 216 H HA -0.154 4.416 4.556 0.025 0.000 0.301 216 H C 1.746 177.050 175.328 -0.040 0.000 1.082 216 H CA 2.019 58.066 56.048 -0.002 0.000 1.342 216 H CB -0.414 29.425 29.762 0.128 0.000 1.389 216 H HN 0.291 nan 8.280 nan 0.000 0.511 217 F N 0.768 120.644 119.950 -0.124 0.000 2.202 217 F HA -0.152 4.390 4.527 0.024 0.000 0.301 217 F C 1.841 177.496 175.800 -0.241 0.000 1.082 217 F CA 1.431 59.337 58.000 -0.156 0.000 1.313 217 F CB -0.514 38.435 39.000 -0.086 0.000 1.024 217 F HN 0.242 nan 8.300 nan 0.000 0.495 218 I N -0.580 119.698 120.570 -0.487 0.000 2.141 218 I HA -0.315 3.870 4.170 0.025 0.000 0.236 218 I C 2.467 178.285 176.117 -0.498 0.000 1.071 218 I CA 1.055 62.016 61.300 -0.566 0.000 1.345 218 I CB -0.623 37.067 38.000 -0.516 0.000 1.066 218 I HN 0.049 nan 8.210 nan 0.000 0.406 219 M N 0.260 119.536 119.600 -0.540 0.000 2.108 219 M HA -0.300 4.195 4.480 0.025 0.000 0.257 219 M C 2.365 178.398 176.300 -0.445 0.000 1.071 219 M CA 1.946 56.923 55.300 -0.538 0.000 1.093 219 M CB -1.365 30.679 32.600 -0.926 0.000 1.345 219 M HN 0.277 nan 8.290 nan 0.000 0.403 220 Q N 0.226 119.733 119.800 -0.487 0.000 2.061 220 Q HA -0.112 4.244 4.340 0.025 0.000 0.204 220 Q C 2.000 177.834 176.000 -0.276 0.000 0.984 220 Q CA 1.892 57.473 55.803 -0.369 0.000 0.846 220 Q CB -0.282 28.228 28.738 -0.380 0.000 0.902 220 Q HN 0.392 nan 8.270 nan 0.000 0.421 221 V N -0.712 118.996 119.914 -0.343 0.000 2.453 221 V HA -0.179 3.956 4.120 0.025 0.000 0.247 221 V C 2.170 178.122 176.094 -0.236 0.000 1.048 221 V CA 1.389 63.513 62.300 -0.294 0.000 1.049 221 V CB -0.383 31.189 31.823 -0.418 0.000 0.672 221 V HN 0.234 nan 8.190 nan 0.000 0.457 222 V N -1.066 118.694 119.914 -0.257 0.000 2.515 222 V HA -0.246 3.890 4.120 0.025 0.000 0.250 222 V C 2.461 178.446 176.094 -0.181 0.000 1.058 222 V CA 2.015 64.192 62.300 -0.204 0.000 1.064 222 V CB -0.732 30.971 31.823 -0.200 0.000 0.675 222 V HN 0.630 nan 8.190 nan 0.000 0.461 223 C N -0.074 119.112 119.300 -0.190 0.000 2.466 223 C HA -0.084 4.391 4.460 0.025 0.000 0.278 223 C C 2.639 177.556 174.990 -0.121 0.000 1.288 223 C CA 0.562 59.487 59.018 -0.155 0.000 1.722 223 C CB -0.886 26.768 27.740 -0.142 0.000 2.017 223 C HN 0.601 nan 8.230 nan 0.000 0.488 224 E N 1.229 121.360 120.200 -0.115 0.000 2.204 224 E HA -0.139 4.226 4.350 0.025 0.000 0.195 224 E C 2.249 178.800 176.600 -0.083 0.000 0.990 224 E CA 1.156 57.504 56.400 -0.086 0.000 0.821 224 E CB -0.201 29.452 29.700 -0.079 0.000 0.750 224 E HN 0.692 nan 8.360 nan 0.000 0.477 225 A N 1.373 124.133 122.820 -0.100 0.000 2.015 225 A HA -0.146 4.189 4.320 0.025 0.000 0.219 225 A C 2.392 179.926 177.584 -0.083 0.000 1.163 225 A CA 1.721 53.704 52.037 -0.089 0.000 0.646 225 A CB -0.814 18.125 19.000 -0.101 0.000 0.806 225 A HN 0.359 nan 8.150 nan 0.000 0.448 226 T N -3.084 111.413 114.554 -0.095 0.000 3.163 226 T HA -0.025 4.340 4.350 0.025 0.000 0.260 226 T C 1.298 175.957 174.700 -0.069 0.000 1.156 226 T CA 1.144 63.189 62.100 -0.091 0.000 1.072 226 T CB -0.110 68.689 68.868 -0.116 0.000 0.937 226 T HN 0.440 nan 8.240 nan 0.000 0.528 227 Q N -0.187 119.576 119.800 -0.061 0.000 2.317 227 Q HA 0.255 4.610 4.340 0.025 0.000 0.220 227 Q C 1.116 177.094 176.000 -0.038 0.000 0.873 227 Q CA -0.132 55.644 55.803 -0.045 0.000 0.936 227 Q CB -0.254 28.460 28.738 -0.040 0.000 1.105 227 Q HN 0.625 nan 8.270 nan 0.000 0.520 228 C N 3.630 122.904 119.300 -0.043 0.000 2.596 228 C HA 0.070 4.545 4.460 0.025 0.000 0.414 228 C C -0.854 174.118 174.990 -0.030 0.000 1.396 228 C CA -1.073 57.923 59.018 -0.036 0.000 1.698 228 C CB 0.383 28.098 27.740 -0.040 0.000 2.572 228 C HN 0.222 nan 8.230 nan 0.000 0.604 229 P HA -0.085 nan 4.420 nan 0.000 0.217 229 P C 0.144 177.432 177.300 -0.020 0.000 1.148 229 P CA 1.207 64.295 63.100 -0.019 0.000 0.828 229 P CB -0.123 31.569 31.700 -0.015 0.000 0.783 230 D N -1.162 119.224 120.400 -0.022 0.000 2.371 230 D HA 0.001 4.656 4.640 0.025 0.000 0.256 230 D C 1.029 177.313 176.300 -0.027 0.000 1.193 230 D CA 0.446 54.432 54.000 -0.023 0.000 0.881 230 D CB 0.724 41.510 40.800 -0.023 0.000 1.143 230 D HN -0.061 nan 8.370 nan 0.000 0.473 231 T N 4.431 118.971 114.554 -0.024 0.000 2.684 231 T HA -0.184 4.181 4.350 0.025 0.000 0.267 231 T C 1.906 176.588 174.700 -0.029 0.000 1.036 231 T CA 1.160 63.245 62.100 -0.025 0.000 1.148 231 T CB 0.034 68.890 68.868 -0.020 0.000 0.863 231 T HN 0.472 nan 8.240 nan 0.000 0.436 232 R N 0.397 120.880 120.500 -0.028 0.000 2.103 232 R HA -0.084 4.272 4.340 0.025 0.000 0.242 232 R C 2.489 178.766 176.300 -0.040 0.000 1.142 232 R CA 1.271 57.352 56.100 -0.032 0.000 0.960 232 R CB -0.825 29.457 30.300 -0.030 0.000 0.858 232 R HN 0.273 nan 8.270 nan 0.000 0.439 233 V N 1.214 121.103 119.914 -0.041 0.000 2.427 233 V HA -0.225 3.911 4.120 0.025 0.000 0.248 233 V C 2.372 178.431 176.094 -0.058 0.000 1.051 233 V CA 1.621 63.891 62.300 -0.049 0.000 1.048 233 V CB -0.552 31.243 31.823 -0.047 0.000 0.666 233 V HN 0.302 nan 8.190 nan 0.000 0.456 234 R N 0.082 120.550 120.500 -0.053 0.000 2.082 234 R HA -0.130 4.226 4.340 0.025 0.000 0.234 234 R C 2.319 178.579 176.300 -0.067 0.000 1.136 234 R CA 1.670 57.734 56.100 -0.061 0.000 0.935 234 R CB -1.018 29.251 30.300 -0.050 0.000 0.842 234 R HN 0.440 nan 8.270 nan 0.000 0.430 235 V N 1.596 121.478 119.914 -0.053 0.000 2.255 235 V HA -0.276 3.859 4.120 0.025 0.000 0.247 235 V C 2.628 178.686 176.094 -0.060 0.000 1.051 235 V CA 2.087 64.357 62.300 -0.050 0.000 1.018 235 V CB -0.991 30.811 31.823 -0.034 0.000 0.641 235 V HN 0.434 nan 8.190 nan 0.000 0.445 236 A N -0.323 122.462 122.820 -0.059 0.000 2.024 236 A HA -0.128 4.207 4.320 0.025 0.000 0.220 236 A C 2.345 179.881 177.584 -0.079 0.000 1.164 236 A CA 2.249 54.247 52.037 -0.065 0.000 0.643 236 A CB -0.630 18.333 19.000 -0.063 0.000 0.806 236 A HN 0.615 nan 8.150 nan 0.000 0.451 237 A N -0.473 122.294 122.820 -0.089 0.000 1.874 237 A HA 0.132 4.467 4.320 0.025 0.000 0.214 237 A C 2.098 179.603 177.584 -0.132 0.000 1.189 237 A CA 1.149 53.120 52.037 -0.110 0.000 0.615 237 A CB -0.509 18.423 19.000 -0.113 0.000 0.830 237 A HN 0.429 nan 8.150 nan 0.000 0.443 238 L N -0.410 120.732 121.223 -0.136 0.000 2.131 238 L HA -0.255 4.100 4.340 0.025 0.000 0.210 238 L C 2.856 179.643 176.870 -0.139 0.000 1.092 238 L CA 1.352 56.083 54.840 -0.180 0.000 0.759 238 L CB -0.544 41.420 42.059 -0.158 0.000 0.903 238 L HN 0.507 nan 8.230 nan 0.000 0.435 239 Q N -0.080 119.668 119.800 -0.087 0.000 2.084 239 Q HA -0.226 4.129 4.340 0.025 0.000 0.202 239 Q C 1.920 177.887 176.000 -0.056 0.000 0.978 239 Q CA 1.911 57.682 55.803 -0.055 0.000 0.844 239 Q CB -0.273 28.433 28.738 -0.053 0.000 0.898 239 Q HN 0.598 nan 8.270 nan 0.000 0.426 240 N N 0.529 119.182 118.700 -0.077 0.000 2.069 240 N HA -0.169 4.586 4.740 0.025 0.000 0.191 240 N C 1.774 177.246 175.510 -0.063 0.000 1.031 240 N CA 0.953 53.959 53.050 -0.073 0.000 0.852 240 N CB -0.132 38.303 38.487 -0.086 0.000 1.018 240 N HN 0.111 nan 8.380 nan 0.000 0.423 241 L N 0.406 121.562 121.223 -0.113 0.000 2.043 241 L HA -0.217 4.138 4.340 0.025 0.000 0.212 241 L C 2.069 178.999 176.870 0.101 0.000 1.075 241 L CA 0.980 55.739 54.840 -0.135 0.000 0.752 241 L CB -0.410 41.387 42.059 -0.436 0.000 0.891 241 L HN 0.130 nan 8.230 nan 0.000 0.432 242 V N -0.326 119.672 119.914 0.140 0.000 2.343 242 V HA -0.314 3.821 4.120 0.025 0.000 0.247 242 V C 2.450 178.591 176.094 0.080 0.000 1.051 242 V CA 1.992 64.459 62.300 0.278 0.000 1.036 242 V CB -0.522 31.404 31.823 0.171 0.000 0.654 242 V HN 0.436 nan 8.190 nan 0.000 0.451 243 K N -0.099 120.312 120.400 0.017 0.000 2.116 243 K HA 0.006 4.341 4.320 0.025 0.000 0.203 243 K C 2.023 178.608 176.600 -0.027 0.000 1.052 243 K CA 1.068 57.335 56.287 -0.033 0.000 0.952 243 K CB -0.103 32.363 32.500 -0.056 0.000 0.729 243 K HN 0.418 nan 8.250 nan 0.000 0.446 244 I N 0.845 121.418 120.570 0.004 0.000 2.493 244 I HA -0.216 3.969 4.170 0.025 0.000 0.254 244 I C 2.323 178.484 176.117 0.072 0.000 1.160 244 I CA 0.510 61.827 61.300 0.028 0.000 1.445 244 I CB -0.082 37.920 38.000 0.003 0.000 1.086 244 I HN 0.293 nan 8.210 nan 0.000 0.433 245 M N 0.526 120.168 119.600 0.070 0.000 2.156 245 M HA -0.101 4.394 4.480 0.025 0.000 0.264 245 M C 2.328 178.635 176.300 0.012 0.000 1.067 245 M CA 1.845 57.167 55.300 0.036 0.000 1.131 245 M CB -0.344 32.224 32.600 -0.053 0.000 1.368 245 M HN -0.037 nan 8.290 nan 0.000 0.416 246 S N 0.399 116.066 115.700 -0.055 0.000 2.357 246 S HA -0.005 4.481 4.470 0.025 0.000 0.221 246 S C 1.840 176.352 174.600 -0.145 0.000 1.031 246 S CA 1.436 59.575 58.200 -0.103 0.000 0.982 246 S CB -0.477 62.649 63.200 -0.123 0.000 0.853 246 S HN 0.499 nan 8.310 nan 0.000 0.458 247 L N -0.667 120.442 121.223 -0.191 0.000 1.993 247 L HA 0.007 4.362 4.340 0.025 0.000 0.206 247 L C 0.318 176.908 176.870 -0.468 0.000 1.074 247 L CA 1.060 55.655 54.840 -0.408 0.000 0.746 247 L CB -0.429 41.288 42.059 -0.570 0.000 0.896 247 L HN 0.306 nan 8.230 nan 0.000 0.435 248 Y N -1.018 119.216 120.300 -0.109 0.000 2.821 248 Y HA 0.062 4.626 4.550 0.024 0.000 0.331 248 Y C 0.810 176.740 175.900 0.051 0.000 1.251 248 Y CA -0.404 57.697 58.100 0.002 0.000 1.494 248 Y CB -0.264 38.174 38.460 -0.037 0.000 1.493 248 Y HN 0.042 nan 8.280 nan 0.000 0.496 249 Y N 1.049 121.324 120.300 -0.041 0.000 2.365 249 Y HA -0.146 4.418 4.550 0.024 0.000 0.293 249 Y C 1.863 177.742 175.900 -0.036 0.000 1.119 249 Y CA 1.287 59.369 58.100 -0.030 0.000 1.203 249 Y CB 0.298 38.713 38.460 -0.074 0.000 1.026 249 Y HN 0.448 nan 8.280 nan 0.000 0.549 250 Q N -0.771 118.972 119.800 -0.095 0.000 2.135 250 Q HA -0.213 4.142 4.340 0.025 0.000 0.204 250 Q C 0.344 176.155 176.000 -0.314 0.000 0.981 250 Q CA 1.778 57.391 55.803 -0.317 0.000 0.856 250 Q CB -0.274 28.040 28.738 -0.706 0.000 0.902 250 Q HN 0.634 nan 8.270 nan 0.000 0.425 251 Y N -1.431 119.004 120.300 0.225 0.000 2.756 251 Y HA 0.241 4.805 4.550 0.023 0.000 0.300 251 Y C 1.000 177.082 175.900 0.302 0.000 1.113 251 Y CA -0.167 58.092 58.100 0.265 0.000 1.291 251 Y CB 0.354 39.033 38.460 0.365 0.000 1.175 251 Y HN 0.065 nan 8.280 nan 0.000 0.534 252 M N -0.631 119.082 119.600 0.188 0.000 2.428 252 M HA 0.096 4.591 4.480 0.025 0.000 0.239 252 M C 1.295 177.631 176.300 0.061 0.000 1.121 252 M CA 0.364 55.734 55.300 0.117 0.000 1.019 252 M CB -0.203 32.262 32.600 -0.225 0.000 1.485 252 M HN 0.456 nan 8.290 nan 0.000 0.484 253 E N 0.606 120.864 120.200 0.096 0.000 2.058 253 E HA -0.172 4.193 4.350 0.025 0.000 0.194 253 E C 1.628 178.229 176.600 0.002 0.000 0.997 253 E CA 2.032 58.498 56.400 0.110 0.000 0.801 253 E CB -0.043 29.711 29.700 0.091 0.000 0.746 253 E HN 0.512 nan 8.360 nan 0.000 0.450 254 T N -2.381 112.064 114.554 -0.182 0.000 3.194 254 T HA 0.011 4.376 4.350 0.025 0.000 0.251 254 T C 0.887 175.238 174.700 -0.580 0.000 1.132 254 T CA 0.335 62.186 62.100 -0.415 0.000 1.028 254 T CB -0.105 68.406 68.868 -0.595 0.000 0.976 254 T HN 0.207 nan 8.240 nan 0.000 0.535 255 Y N -1.361 118.976 120.300 0.062 0.000 2.550 255 Y HA 0.367 4.931 4.550 0.024 0.000 0.275 255 Y C 1.992 177.906 175.900 0.024 0.000 1.148 255 Y CA -0.498 57.624 58.100 0.037 0.000 1.200 255 Y CB -0.206 38.266 38.460 0.020 0.000 1.299 255 Y HN 0.123 nan 8.280 nan 0.000 0.509 256 M N 1.439 121.118 119.600 0.132 0.000 2.399 256 M HA -0.128 4.367 4.480 0.025 0.000 0.263 256 M C 2.237 178.658 176.300 0.201 0.000 1.067 256 M CA 2.645 58.007 55.300 0.103 0.000 1.084 256 M CB -1.146 31.442 32.600 -0.020 0.000 1.252 256 M HN 0.269 nan 8.290 nan 0.000 0.454 257 G N -0.643 108.255 108.800 0.163 0.000 2.480 257 G HA2 -0.155 3.820 3.960 0.025 0.000 0.216 257 G HA3 -0.155 3.820 3.960 0.025 0.000 0.216 257 G C -0.873 174.072 174.900 0.075 0.000 1.200 257 G CA 0.792 45.945 45.100 0.088 0.000 0.782 257 G HN 0.521 nan 8.290 nan 0.000 0.554 258 P HA 0.144 nan 4.420 nan 0.000 0.226 258 P C 0.760 178.112 177.300 0.086 0.000 1.146 258 P CA 1.903 65.040 63.100 0.061 0.000 0.773 258 P CB 0.244 31.973 31.700 0.047 0.000 0.772 259 A N -2.501 120.387 122.820 0.113 0.000 1.869 259 A HA 0.083 4.418 4.320 0.025 0.000 0.147 259 A C 1.564 179.203 177.584 0.092 0.000 1.424 259 A CA -0.048 52.047 52.037 0.096 0.000 1.956 259 A CB -0.870 18.188 19.000 0.098 0.000 1.927 259 A HN -0.055 nan 8.150 nan 0.000 1.065 260 L N -0.423 120.849 121.223 0.083 0.000 1.991 260 L HA -0.270 4.085 4.340 0.025 0.000 0.221 260 L C 2.455 179.368 176.870 0.071 0.000 1.079 260 L CA 2.575 57.417 54.840 0.003 0.000 0.778 260 L CB -0.895 41.154 42.059 -0.017 0.000 0.893 260 L HN 0.552 nan 8.230 nan 0.000 0.437 261 F N 0.597 120.590 119.950 0.071 0.000 2.063 261 F HA -0.380 4.162 4.527 0.025 0.000 0.298 261 F C 2.527 178.391 175.800 0.106 0.000 1.105 261 F CA 1.937 60.042 58.000 0.175 0.000 1.215 261 F CB -0.260 38.826 39.000 0.144 0.000 0.972 261 F HN 0.067 nan 8.300 nan 0.000 0.483 262 A N 0.569 123.572 122.820 0.305 0.000 1.858 262 A HA -0.183 4.153 4.320 0.025 0.000 0.216 262 A C 2.180 179.796 177.584 0.055 0.000 1.190 262 A CA 1.858 53.997 52.037 0.170 0.000 0.617 262 A CB -1.032 18.040 19.000 0.120 0.000 0.827 262 A HN 0.415 nan 8.150 nan 0.000 0.443 263 I N 0.850 121.424 120.570 0.006 0.000 2.118 263 I HA -0.255 3.930 4.170 0.025 0.000 0.241 263 I C 2.933 178.996 176.117 -0.090 0.000 1.070 263 I CA 2.434 63.697 61.300 -0.061 0.000 1.327 263 I CB -1.978 35.951 38.000 -0.118 0.000 1.034 263 I HN 0.601 nan 8.210 nan 0.000 0.405 264 T N -0.231 114.244 114.554 -0.133 0.000 2.708 264 T HA -0.151 4.215 4.350 0.025 0.000 0.266 264 T C 1.985 176.714 174.700 0.047 0.000 1.037 264 T CA 1.061 63.090 62.100 -0.119 0.000 1.146 264 T CB -0.701 68.053 68.868 -0.189 0.000 0.865 264 T HN 0.067 nan 8.240 nan 0.000 0.435 265 I N 1.770 122.363 120.570 0.037 0.000 2.226 265 I HA -0.061 4.124 4.170 0.025 0.000 0.245 265 I C 2.800 178.932 176.117 0.025 0.000 1.100 265 I CA 1.212 62.517 61.300 0.007 0.000 1.374 265 I CB -0.620 37.321 38.000 -0.098 0.000 1.057 265 I HN 0.239 nan 8.210 nan 0.000 0.413 266 E N 0.295 120.506 120.200 0.019 0.000 2.106 266 E HA -0.149 4.216 4.350 0.025 0.000 0.192 266 E C 2.320 178.923 176.600 0.005 0.000 0.984 266 E CA 1.241 57.652 56.400 0.017 0.000 0.806 266 E CB -0.219 29.489 29.700 0.012 0.000 0.750 266 E HN 0.467 nan 8.360 nan 0.000 0.458 267 A N 0.772 123.587 122.820 -0.008 0.000 1.940 267 A HA -0.191 4.144 4.320 0.025 0.000 0.219 267 A C 2.272 179.858 177.584 0.004 0.000 1.176 267 A CA 1.720 53.748 52.037 -0.015 0.000 0.631 267 A CB -0.522 18.454 19.000 -0.040 0.000 0.814 267 A HN 0.229 nan 8.150 nan 0.000 0.446 268 M N -0.768 118.847 119.600 0.025 0.000 2.159 268 M HA -0.154 4.341 4.480 0.025 0.000 0.263 268 M C 1.966 178.268 176.300 0.002 0.000 1.063 268 M CA 1.632 56.947 55.300 0.025 0.000 1.110 268 M CB -0.292 32.334 32.600 0.044 0.000 1.374 268 M HN 0.325 nan 8.290 nan 0.000 0.411 269 K N -0.322 120.082 120.400 0.006 0.000 2.228 269 K HA 0.041 4.376 4.320 0.025 0.000 0.202 269 K C 0.975 177.571 176.600 -0.007 0.000 1.051 269 K CA 0.205 56.493 56.287 0.002 0.000 0.960 269 K CB -0.138 32.372 32.500 0.017 0.000 0.743 269 K HN 0.136 nan 8.250 nan 0.000 0.458 270 S N 2.915 118.611 115.700 -0.007 0.000 2.673 270 S HA -0.065 4.420 4.470 0.025 0.000 0.308 270 S C 0.335 174.924 174.600 -0.019 0.000 1.246 270 S CA -0.414 57.779 58.200 -0.012 0.000 1.077 270 S CB 0.212 63.404 63.200 -0.014 0.000 0.814 270 S HN 0.257 nan 8.310 nan 0.000 0.503 271 D N 4.213 124.601 120.400 -0.020 0.000 2.332 271 D HA 0.026 4.681 4.640 0.025 0.000 0.244 271 D C 0.214 176.498 176.300 -0.026 0.000 1.136 271 D CA 0.147 54.131 54.000 -0.027 0.000 0.884 271 D CB -0.477 40.309 40.800 -0.024 0.000 0.906 271 D HN 0.578 nan 8.370 nan 0.000 0.520 272 I N 1.375 121.931 120.570 -0.022 0.000 2.256 272 I HA 0.042 4.227 4.170 0.025 0.000 0.294 272 I C 0.540 176.644 176.117 -0.021 0.000 1.127 272 I CA -0.579 60.709 61.300 -0.020 0.000 1.247 272 I CB 0.856 38.846 38.000 -0.017 0.000 1.460 272 I HN -0.273 nan 8.210 nan 0.000 0.511 273 D N 3.496 123.880 120.400 -0.027 0.000 2.268 273 D HA -0.294 4.361 4.640 0.025 0.000 0.189 273 D C 1.832 178.124 176.300 -0.012 0.000 1.010 273 D CA 1.798 55.779 54.000 -0.031 0.000 0.862 273 D CB 0.104 40.883 40.800 -0.035 0.000 0.943 273 D HN 0.534 nan 8.370 nan 0.000 0.451 274 E N 0.148 120.347 120.200 -0.002 0.000 2.130 274 E HA -0.142 4.223 4.350 0.025 0.000 0.196 274 E C 2.028 178.633 176.600 0.008 0.000 0.998 274 E CA 0.702 57.109 56.400 0.012 0.000 0.806 274 E CB -0.155 29.548 29.700 0.005 0.000 0.738 274 E HN 0.169 nan 8.360 nan 0.000 0.459 275 V N 0.219 120.129 119.914 -0.006 0.000 2.346 275 V HA -0.159 3.977 4.120 0.025 0.000 0.244 275 V C 2.314 178.406 176.094 -0.005 0.000 1.037 275 V CA 1.567 63.860 62.300 -0.012 0.000 1.029 275 V CB -0.891 30.920 31.823 -0.021 0.000 0.663 275 V HN 0.426 nan 8.190 nan 0.000 0.454 276 A N -0.126 122.689 122.820 -0.007 0.000 1.948 276 A HA -0.205 4.131 4.320 0.025 0.000 0.220 276 A C 2.236 179.829 177.584 0.016 0.000 1.177 276 A CA 1.906 53.940 52.037 -0.005 0.000 0.636 276 A CB -0.596 18.388 19.000 -0.027 0.000 0.815 276 A HN 0.494 nan 8.150 nan 0.000 0.449 277 L N -0.803 120.435 121.223 0.027 0.000 1.989 277 L HA -0.267 4.088 4.340 0.025 0.000 0.211 277 L C 2.964 179.898 176.870 0.107 0.000 1.071 277 L CA 1.589 56.480 54.840 0.084 0.000 0.749 277 L CB -0.612 41.526 42.059 0.132 0.000 0.890 277 L HN 0.419 nan 8.230 nan 0.000 0.431 278 Q N -0.251 119.591 119.800 0.069 0.000 2.135 278 Q HA -0.165 4.190 4.340 0.025 0.000 0.204 278 Q C 2.188 178.233 176.000 0.075 0.000 0.981 278 Q CA 1.728 57.565 55.803 0.056 0.000 0.856 278 Q CB -0.718 28.020 28.738 0.001 0.000 0.902 278 Q HN 0.625 nan 8.270 nan 0.000 0.425 279 G N 1.199 110.035 108.800 0.060 0.000 2.453 279 G HA2 -0.196 3.780 3.960 0.025 0.000 0.215 279 G HA3 -0.196 3.780 3.960 0.025 0.000 0.215 279 G C 1.585 176.608 174.900 0.204 0.000 1.201 279 G CA 0.674 45.831 45.100 0.096 0.000 0.784 279 G HN 0.307 nan 8.290 nan 0.000 0.545 280 I N 1.077 121.742 120.570 0.158 0.000 2.208 280 I HA -0.162 4.023 4.170 0.025 0.000 0.245 280 I C 2.673 178.906 176.117 0.194 0.000 1.097 280 I CA 1.668 63.071 61.300 0.171 0.000 1.363 280 I CB -0.266 37.786 38.000 0.087 0.000 1.051 280 I HN 0.286 nan 8.210 nan 0.000 0.413 281 E N 1.585 121.892 120.200 0.178 0.000 2.153 281 E HA -0.288 4.077 4.350 0.025 0.000 0.194 281 E C 2.035 178.706 176.600 0.119 0.000 0.988 281 E CA 1.520 58.013 56.400 0.155 0.000 0.811 281 E CB -0.558 29.227 29.700 0.142 0.000 0.746 281 E HN 0.454 nan 8.360 nan 0.000 0.466 282 F N -0.824 119.106 119.950 -0.034 0.000 2.146 282 F HA -0.020 4.522 4.527 0.025 0.000 0.298 282 F C 1.541 177.215 175.800 -0.210 0.000 1.096 282 F CA 1.610 59.507 58.000 -0.171 0.000 1.275 282 F CB -0.380 38.449 39.000 -0.285 0.000 1.008 282 F HN 0.081 nan 8.300 nan 0.000 0.480 283 W N 0.301 121.570 121.300 -0.052 0.000 2.523 283 W HA -0.054 4.622 4.660 0.026 0.000 0.278 283 W C 2.893 179.349 176.519 -0.105 0.000 1.236 283 W CA 1.142 58.407 57.345 -0.133 0.000 1.306 283 W CB -0.497 28.947 29.460 -0.027 0.000 1.101 283 W HN 0.099 nan 8.180 nan 0.000 0.577 284 S N -0.040 115.755 115.700 0.159 0.000 2.402 284 S HA -0.227 4.258 4.470 0.025 0.000 0.229 284 S C 1.630 176.236 174.600 0.011 0.000 1.021 284 S CA 1.474 59.730 58.200 0.093 0.000 0.974 284 S CB -0.705 62.557 63.200 0.102 0.000 0.800 284 S HN 0.316 nan 8.310 nan 0.000 0.484 285 N N 1.553 120.214 118.700 -0.065 0.000 2.142 285 N HA -0.027 4.728 4.740 0.025 0.000 0.186 285 N C 1.618 177.029 175.510 -0.166 0.000 1.023 285 N CA 1.370 54.341 53.050 -0.132 0.000 0.852 285 N CB -0.844 37.533 38.487 -0.184 0.000 0.998 285 N HN 0.252 nan 8.380 nan 0.000 0.424 286 V N -0.078 119.692 119.914 -0.239 0.000 2.594 286 V HA -0.200 3.935 4.120 0.025 0.000 0.253 286 V C 1.848 177.938 176.094 -0.007 0.000 1.069 286 V CA 1.297 63.501 62.300 -0.161 0.000 1.082 286 V CB -0.605 31.093 31.823 -0.208 0.000 0.680 286 V HN 0.546 nan 8.190 nan 0.000 0.469 287 C N 0.135 119.453 119.300 0.030 0.000 2.472 287 C HA -0.016 4.459 4.460 0.025 0.000 0.278 287 C C 1.931 176.915 174.990 -0.011 0.000 1.447 287 C CA 0.638 59.683 59.018 0.045 0.000 1.773 287 C CB -1.195 26.585 27.740 0.067 0.000 1.793 287 C HN 0.645 nan 8.230 nan 0.000 0.544 288 D N -0.144 120.226 120.400 -0.050 0.000 2.392 288 D HA -0.008 4.647 4.640 0.025 0.000 0.206 288 D C 2.208 178.435 176.300 -0.121 0.000 1.046 288 D CA 0.493 54.447 54.000 -0.077 0.000 0.865 288 D CB -0.207 40.545 40.800 -0.081 0.000 0.969 288 D HN 0.362 nan 8.370 nan 0.000 0.509 289 E N 0.857 120.971 120.200 -0.143 0.000 2.042 289 E HA -0.026 4.339 4.350 0.025 0.000 0.189 289 E C 1.592 178.028 176.600 -0.274 0.000 0.974 289 E CA 0.616 56.884 56.400 -0.221 0.000 0.806 289 E CB 0.041 29.601 29.700 -0.233 0.000 0.769 289 E HN 0.402 nan 8.360 nan 0.000 0.451 290 E N 0.164 120.231 120.200 -0.222 0.000 2.347 290 E HA -0.044 4.321 4.350 0.025 0.000 0.196 290 E C 2.047 178.547 176.600 -0.168 0.000 1.008 290 E CA 0.389 56.637 56.400 -0.254 0.000 0.852 290 E CB 0.034 29.636 29.700 -0.164 0.000 0.783 290 E HN 0.204 nan 8.360 nan 0.000 0.505 291 M N 0.429 119.966 119.600 -0.104 0.000 2.098 291 M HA -0.136 4.359 4.480 0.025 0.000 0.262 291 M C 1.584 177.828 176.300 -0.094 0.000 1.072 291 M CA 1.322 56.582 55.300 -0.067 0.000 1.133 291 M CB -0.092 32.481 32.600 -0.044 0.000 1.344 291 M HN -0.063 nan 8.290 nan 0.000 0.414 292 D N 0.519 120.842 120.400 -0.127 0.000 2.221 292 D HA -0.100 4.555 4.640 0.025 0.000 0.204 292 D C 1.896 178.112 176.300 -0.140 0.000 0.982 292 D CA 1.016 54.933 54.000 -0.139 0.000 0.857 292 D CB -0.009 40.685 40.800 -0.176 0.000 0.934 292 D HN 0.264 nan 8.370 nan 0.000 0.475 293 L N -0.382 120.732 121.223 -0.181 0.000 2.102 293 L HA 0.051 4.406 4.340 0.025 0.000 0.202 293 L C 2.364 179.157 176.870 -0.128 0.000 1.076 293 L CA 0.833 55.562 54.840 -0.184 0.000 0.761 293 L CB -0.333 41.534 42.059 -0.320 0.000 0.921 293 L HN -0.024 nan 8.230 nan 0.000 0.444 294 A N -0.066 122.682 122.820 -0.118 0.000 2.067 294 A HA -0.122 4.213 4.320 0.025 0.000 0.219 294 A C 2.036 179.612 177.584 -0.013 0.000 1.158 294 A CA 1.155 53.173 52.037 -0.032 0.000 0.661 294 A CB -0.356 18.661 19.000 0.029 0.000 0.801 294 A HN 0.306 nan 8.150 nan 0.000 0.452 295 I N -0.642 119.907 120.570 -0.036 0.000 2.852 295 I HA -0.042 4.143 4.170 0.025 0.000 0.264 295 I C 2.180 178.278 176.117 -0.031 0.000 1.179 295 I CA 1.038 62.320 61.300 -0.029 0.000 1.480 295 I CB -0.995 36.982 38.000 -0.038 0.000 1.111 295 I HN 0.541 nan 8.210 nan 0.000 0.441 296 E N 1.443 121.618 120.200 -0.042 0.000 2.285 296 E HA -0.067 4.298 4.350 0.025 0.000 0.194 296 E C 2.090 178.676 176.600 -0.024 0.000 0.997 296 E CA 0.880 57.262 56.400 -0.030 0.000 0.845 296 E CB 0.397 30.084 29.700 -0.022 0.000 0.782 296 E HN 0.367 nan 8.360 nan 0.000 0.491 297 A N 0.894 123.701 122.820 -0.023 0.000 1.984 297 A HA -0.049 4.286 4.320 0.025 0.000 0.214 297 A C 2.108 179.695 177.584 0.004 0.000 1.173 297 A CA 0.945 52.977 52.037 -0.008 0.000 0.673 297 A CB -0.232 18.770 19.000 0.002 0.000 0.830 297 A HN 0.303 nan 8.150 nan 0.000 0.453 298 S N -0.583 115.120 115.700 0.006 0.000 2.720 298 S HA 0.096 4.582 4.470 0.025 0.000 0.222 298 S C 0.796 175.397 174.600 0.000 0.000 0.958 298 S CA 0.845 59.050 58.200 0.009 0.000 0.943 298 S CB -0.163 63.044 63.200 0.012 0.000 0.779 298 S HN 0.651 nan 8.310 nan 0.000 0.526 299 E N -0.147 120.050 120.200 -0.005 0.000 2.467 299 E HA 0.303 4.668 4.350 0.025 0.000 0.213 299 E C 1.940 178.534 176.600 -0.010 0.000 0.823 299 E CA 0.506 56.901 56.400 -0.009 0.000 1.233 299 E CB 0.010 29.701 29.700 -0.014 0.000 1.233 299 E HN 0.517 nan 8.360 nan 0.000 0.585 300 A N 1.559 124.372 122.820 -0.012 0.000 1.930 300 A HA 0.016 4.351 4.320 0.025 0.000 0.217 300 A C 2.295 179.874 177.584 -0.007 0.000 1.175 300 A CA 1.607 53.636 52.037 -0.015 0.000 0.627 300 A CB -0.374 18.612 19.000 -0.023 0.000 0.815 300 A HN 0.213 nan 8.150 nan 0.000 0.443 301 A N -0.846 121.973 122.820 -0.001 0.000 2.119 301 A HA -0.011 4.324 4.320 0.025 0.000 0.217 301 A C 1.798 179.383 177.584 0.002 0.000 1.153 301 A CA 1.400 53.439 52.037 0.003 0.000 0.692 301 A CB -0.298 18.708 19.000 0.010 0.000 0.799 301 A HN 0.622 nan 8.150 nan 0.000 0.458 302 E N -1.257 118.943 120.200 -0.000 0.000 2.474 302 E HA 0.040 4.406 4.350 0.025 0.000 0.195 302 E C 1.645 178.243 176.600 -0.002 0.000 1.039 302 E CA 0.186 56.586 56.400 -0.001 0.000 0.881 302 E CB 0.086 29.785 29.700 -0.001 0.000 0.970 302 E HN 0.717 nan 8.360 nan 0.000 0.486 303 Q N -1.103 118.695 119.800 -0.004 0.000 2.245 303 Q HA 0.162 4.517 4.340 0.025 0.000 0.236 303 Q C 0.437 176.435 176.000 -0.003 0.000 0.842 303 Q CA 0.584 56.385 55.803 -0.005 0.000 0.945 303 Q CB 1.152 29.885 28.738 -0.008 0.000 1.122 303 Q HN 0.275 nan 8.270 nan 0.000 0.506 304 G N 1.486 110.284 108.800 -0.003 0.000 2.215 304 G HA2 -0.218 3.757 3.960 0.025 0.000 0.198 304 G HA3 -0.218 3.757 3.960 0.025 0.000 0.198 304 G C -0.426 174.473 174.900 -0.002 0.000 1.047 304 G CA 0.116 45.216 45.100 -0.001 0.000 0.747 304 G HN 0.383 nan 8.290 nan 0.000 0.495 305 R N -1.785 118.712 120.500 -0.004 0.000 2.664 305 R HA 0.696 5.051 4.340 0.025 0.000 0.266 305 R C -3.376 172.918 176.300 -0.009 0.000 1.046 305 R CA -1.820 54.276 56.100 -0.006 0.000 0.885 305 R CB 0.646 30.940 30.300 -0.010 0.000 1.254 305 R HN 0.013 nan 8.270 nan 0.000 0.465 306 P HA 0.194 nan 4.420 nan 0.000 0.269 306 P C -2.412 174.870 177.300 -0.030 0.000 1.209 306 P CA -0.999 62.095 63.100 -0.010 0.000 0.776 306 P CB 0.032 31.730 31.700 -0.004 0.000 0.876 307 P HA 0.062 nan 4.420 nan 0.000 0.268 307 P C 0.820 178.045 177.300 -0.124 0.000 1.205 307 P CA 0.161 63.220 63.100 -0.069 0.000 0.771 307 P CB 0.532 32.204 31.700 -0.047 0.000 0.858 308 E N 0.805 120.861 120.200 -0.241 0.000 2.070 308 E HA -0.202 4.163 4.350 0.025 0.000 0.197 308 E C -0.146 176.197 176.600 -0.429 0.000 1.004 308 E CA 1.445 57.598 56.400 -0.411 0.000 0.805 308 E CB -0.204 29.078 29.700 -0.696 0.000 0.744 308 E HN 0.672 nan 8.360 nan 0.000 0.451 309 H N -1.077 117.980 119.070 -0.021 0.000 2.489 309 H HA 0.352 4.922 4.556 0.023 0.000 0.343 309 H C -0.864 174.431 175.328 -0.054 0.000 1.086 309 H CA -0.664 55.363 56.048 -0.035 0.000 1.198 309 H CB 1.841 31.563 29.762 -0.066 0.000 1.490 309 H HN -0.200 nan 8.280 nan 0.000 0.504 310 T N 1.735 116.336 114.554 0.079 0.000 2.823 310 T HA 0.281 4.646 4.350 0.025 0.000 0.279 310 T C 0.383 175.095 174.700 0.019 0.000 0.998 310 T CA -0.751 61.366 62.100 0.028 0.000 0.994 310 T CB 1.653 70.551 68.868 0.050 0.000 0.960 310 T HN 0.614 nan 8.240 nan 0.000 0.448 311 S N 1.046 116.667 115.700 -0.132 0.000 2.634 311 S HA 0.331 4.816 4.470 0.025 0.000 0.261 311 S C 0.702 175.228 174.600 -0.123 0.000 1.271 311 S CA -0.301 57.733 58.200 -0.277 0.000 0.985 311 S CB 0.333 63.090 63.200 -0.739 0.000 0.968 311 S HN 0.610 nan 8.310 nan 0.000 0.568 312 K N 0.435 120.734 120.400 -0.167 0.000 2.562 312 K HA 0.201 4.536 4.320 0.025 0.000 0.218 312 K C -0.548 175.973 176.600 -0.132 0.000 1.374 312 K CA 0.081 56.246 56.287 -0.202 0.000 0.996 312 K CB -0.039 32.117 32.500 -0.573 0.000 1.127 312 K HN 0.702 nan 8.250 nan 0.000 0.603 313 F N 0.632 120.532 119.950 -0.083 0.000 2.985 313 F HA -0.258 4.285 4.527 0.026 0.000 0.303 313 F C 0.501 176.319 175.800 0.030 0.000 0.976 313 F CA -0.015 57.986 58.000 0.002 0.000 1.013 313 F CB -2.765 36.230 39.000 -0.008 0.000 1.060 313 F HN 0.049 nan 8.300 nan 0.000 0.780 314 Y N -0.484 120.041 120.300 0.374 0.000 2.242 314 Y HA -0.090 4.475 4.550 0.025 0.000 0.291 314 Y C 2.295 178.470 175.900 0.459 0.000 1.137 314 Y CA 1.298 59.667 58.100 0.448 0.000 1.181 314 Y CB -0.636 38.124 38.460 0.500 0.000 0.989 314 Y HN 0.427 nan 8.280 nan 0.000 0.527 315 A N 0.577 123.741 122.820 0.573 0.000 1.940 315 A HA -0.259 4.076 4.320 0.025 0.000 0.219 315 A C 2.277 179.945 177.584 0.141 0.000 1.176 315 A CA 2.052 54.285 52.037 0.326 0.000 0.631 315 A CB -0.650 18.529 19.000 0.299 0.000 0.814 315 A HN 0.485 nan 8.150 nan 0.000 0.446 316 K N -0.593 119.932 120.400 0.208 0.000 2.062 316 K HA -0.036 4.299 4.320 0.025 0.000 0.205 316 K C 1.884 178.543 176.600 0.099 0.000 1.051 316 K CA 1.385 57.751 56.287 0.131 0.000 0.941 316 K CB -0.551 32.044 32.500 0.158 0.000 0.719 316 K HN 0.309 nan 8.250 nan 0.000 0.440 317 G N -0.177 108.723 108.800 0.167 0.000 2.534 317 G HA2 -0.069 3.906 3.960 0.025 0.000 0.217 317 G HA3 -0.069 3.906 3.960 0.025 0.000 0.217 317 G C 1.232 176.251 174.900 0.199 0.000 1.128 317 G CA 0.549 45.748 45.100 0.166 0.000 0.784 317 G HN 0.422 nan 8.290 nan 0.000 0.542 318 A N -0.300 122.607 122.820 0.145 0.000 2.390 318 A HA 0.469 4.804 4.320 0.025 0.000 0.232 318 A C 1.889 179.410 177.584 -0.106 0.000 1.233 318 A CA 0.051 52.137 52.037 0.082 0.000 0.907 318 A CB 0.018 18.723 19.000 -0.493 0.000 0.967 318 A HN 0.260 nan 8.150 nan 0.000 0.512 319 L N 1.046 122.198 121.223 -0.119 0.000 2.013 319 L HA -0.274 4.081 4.340 0.025 0.000 0.212 319 L C 2.641 179.348 176.870 -0.272 0.000 1.073 319 L CA 2.903 57.619 54.840 -0.206 0.000 0.753 319 L CB -0.668 41.272 42.059 -0.199 0.000 0.890 319 L HN 0.695 nan 8.230 nan 0.000 0.432 320 Q N -2.947 116.689 119.800 -0.273 0.000 2.364 320 Q HA -0.217 4.138 4.340 0.025 0.000 0.207 320 Q C 1.640 177.511 176.000 -0.216 0.000 0.970 320 Q CA 1.804 57.414 55.803 -0.322 0.000 0.888 320 Q CB -0.534 28.081 28.738 -0.205 0.000 0.951 320 Q HN 0.597 nan 8.270 nan 0.000 0.469 321 Y N 0.194 120.442 120.300 -0.087 0.000 2.503 321 Y HA 0.182 4.747 4.550 0.025 0.000 0.277 321 Y C 1.781 177.602 175.900 -0.132 0.000 1.102 321 Y CA 0.204 58.281 58.100 -0.040 0.000 1.261 321 Y CB 0.499 39.018 38.460 0.098 0.000 1.096 321 Y HN 0.012 nan 8.280 nan 0.000 0.546 322 L N -1.513 119.651 121.223 -0.098 0.000 2.049 322 L HA -0.138 4.217 4.340 0.025 0.000 0.203 322 L C 2.191 178.982 176.870 -0.132 0.000 1.074 322 L CA 0.628 55.355 54.840 -0.188 0.000 0.749 322 L CB -0.880 40.984 42.059 -0.325 0.000 0.907 322 L HN -0.017 nan 8.230 nan 0.000 0.439 323 V N 0.430 120.263 119.914 -0.135 0.000 2.250 323 V HA -0.217 3.918 4.120 0.025 0.000 0.250 323 V C -0.155 175.862 176.094 -0.128 0.000 1.060 323 V CA 2.290 64.517 62.300 -0.121 0.000 1.030 323 V CB -1.877 29.897 31.823 -0.081 0.000 0.643 323 V HN 0.326 nan 8.190 nan 0.000 0.445 324 P HA -0.138 nan 4.420 nan 0.000 0.217 324 P C 1.709 178.968 177.300 -0.069 0.000 1.148 324 P CA 1.625 64.695 63.100 -0.050 0.000 0.828 324 P CB -0.065 31.625 31.700 -0.017 0.000 0.783 325 I N -1.879 118.651 120.570 -0.068 0.000 2.277 325 I HA -0.142 4.043 4.170 0.025 0.000 0.243 325 I C 2.273 178.323 176.117 -0.112 0.000 1.094 325 I CA 0.985 62.247 61.300 -0.063 0.000 1.393 325 I CB -0.722 37.257 38.000 -0.034 0.000 1.078 325 I HN -0.144 nan 8.210 nan 0.000 0.417 326 L N 0.784 121.927 121.223 -0.132 0.000 2.079 326 L HA -0.199 4.156 4.340 0.025 0.000 0.210 326 L C 2.859 179.586 176.870 -0.238 0.000 1.081 326 L CA 2.029 56.776 54.840 -0.154 0.000 0.752 326 L CB -1.119 40.862 42.059 -0.129 0.000 0.896 326 L HN 0.453 nan 8.230 nan 0.000 0.433 327 T N -3.411 110.926 114.554 -0.361 0.000 2.812 327 T HA -0.230 4.135 4.350 0.025 0.000 0.264 327 T C 1.785 176.205 174.700 -0.467 0.000 1.042 327 T CA 1.081 62.763 62.100 -0.698 0.000 1.140 327 T CB -0.278 67.730 68.868 -1.434 0.000 0.870 327 T HN 0.149 nan 8.240 nan 0.000 0.445 328 Q N 1.690 121.343 119.800 -0.244 0.000 2.170 328 Q HA -0.049 4.306 4.340 0.025 0.000 0.203 328 Q C 2.108 178.006 176.000 -0.171 0.000 0.976 328 Q CA 2.009 57.746 55.803 -0.111 0.000 0.858 328 Q CB -1.234 27.484 28.738 -0.034 0.000 0.907 328 Q HN 0.579 nan 8.270 nan 0.000 0.433 329 T N 0.643 115.093 114.554 -0.173 0.000 2.962 329 T HA -0.000 4.365 4.350 0.025 0.000 0.270 329 T C 1.295 175.872 174.700 -0.205 0.000 1.088 329 T CA 0.836 62.832 62.100 -0.173 0.000 1.127 329 T CB -0.092 68.684 68.868 -0.153 0.000 0.883 329 T HN 0.258 nan 8.240 nan 0.000 0.493 330 L N 1.147 122.243 121.223 -0.212 0.000 2.622 330 L HA 0.025 4.380 4.340 0.025 0.000 0.233 330 L C 2.138 178.865 176.870 -0.237 0.000 1.156 330 L CA 0.665 55.389 54.840 -0.194 0.000 0.866 330 L CB -0.556 41.418 42.059 -0.141 0.000 0.980 330 L HN 0.248 nan 8.230 nan 0.000 0.448 331 T N -1.556 112.806 114.554 -0.320 0.000 3.057 331 T HA 0.019 4.384 4.350 0.025 0.000 0.254 331 T C 0.884 175.343 174.700 -0.402 0.000 1.094 331 T CA 0.406 62.212 62.100 -0.490 0.000 1.088 331 T CB 0.057 68.491 68.868 -0.722 0.000 0.934 331 T HN 0.219 nan 8.240 nan 0.000 0.497 332 K N 2.412 122.636 120.400 -0.293 0.000 2.535 332 K HA 0.329 4.664 4.320 0.025 0.000 0.242 332 K C -0.096 176.372 176.600 -0.220 0.000 1.210 332 K CA -0.225 55.919 56.287 -0.238 0.000 1.178 332 K CB 0.434 32.825 32.500 -0.182 0.000 1.778 332 K HN 0.199 nan 8.250 nan 0.000 0.372 333 Q N 0.674 120.320 119.800 -0.257 0.000 2.407 333 Q HA 0.101 4.456 4.340 0.025 0.000 0.214 333 Q C -0.355 175.579 176.000 -0.111 0.000 1.043 333 Q CA 0.232 55.921 55.803 -0.191 0.000 0.983 333 Q CB 0.599 29.211 28.738 -0.211 0.000 1.211 333 Q HN 0.166 nan 8.270 nan 0.000 0.564 334 D N 0.264 120.633 120.400 -0.052 0.000 2.464 334 D HA 0.120 4.775 4.640 0.025 0.000 0.243 334 D C -0.034 176.303 176.300 0.063 0.000 1.104 334 D CA -0.057 53.940 54.000 -0.005 0.000 0.883 334 D CB 0.617 41.400 40.800 -0.029 0.000 1.050 334 D HN 0.500 nan 8.370 nan 0.000 0.524 335 E N 1.675 121.954 120.200 0.132 0.000 2.082 335 E HA -0.273 4.092 4.350 0.025 0.000 0.215 335 E C 0.509 177.166 176.600 0.096 0.000 1.048 335 E CA 1.055 57.566 56.400 0.184 0.000 0.869 335 E CB -0.072 29.739 29.700 0.186 0.000 0.773 335 E HN 0.325 nan 8.360 nan 0.000 0.466 336 N N 1.525 120.261 118.700 0.061 0.000 2.466 336 N HA -0.015 4.740 4.740 0.025 0.000 0.263 336 N C -1.512 174.017 175.510 0.032 0.000 1.178 336 N CA -0.055 53.019 53.050 0.039 0.000 0.983 336 N CB 0.424 38.929 38.487 0.029 0.000 1.331 336 N HN -0.036 nan 8.380 nan 0.000 0.500 337 D N 2.052 122.472 120.400 0.033 0.000 2.428 337 D HA 0.086 4.741 4.640 0.025 0.000 0.221 337 D C -1.146 175.166 176.300 0.020 0.000 1.123 337 D CA -0.533 53.480 54.000 0.022 0.000 0.869 337 D CB 0.510 41.324 40.800 0.022 0.000 1.032 337 D HN 0.481 nan 8.370 nan 0.000 0.506 338 D N 2.302 122.713 120.400 0.018 0.000 2.317 338 D HA 0.099 4.755 4.640 0.025 0.000 0.234 338 D C 0.120 176.433 176.300 0.022 0.000 1.112 338 D CA -0.708 53.305 54.000 0.022 0.000 0.840 338 D CB 0.911 41.727 40.800 0.026 0.000 1.078 338 D HN 0.265 nan 8.370 nan 0.000 0.486 339 D N 2.166 122.576 120.400 0.018 0.000 2.396 339 D HA -0.051 4.604 4.640 0.025 0.000 0.255 339 D C 0.126 176.444 176.300 0.029 0.000 1.224 339 D CA 0.028 54.038 54.000 0.016 0.000 0.894 339 D CB 0.199 40.999 40.800 0.001 0.000 0.939 339 D HN 0.309 nan 8.370 nan 0.000 0.506 340 D N -0.634 119.788 120.400 0.038 0.000 2.433 340 D HA 0.044 4.699 4.640 0.025 0.000 0.211 340 D C -0.632 175.709 176.300 0.069 0.000 1.114 340 D CA -0.230 53.796 54.000 0.044 0.000 0.837 340 D CB 0.349 41.169 40.800 0.033 0.000 0.984 340 D HN 0.112 nan 8.370 nan 0.000 0.505 341 D N -0.405 120.042 120.400 0.078 0.000 2.181 341 D HA 0.166 4.822 4.640 0.025 0.000 0.248 341 D C -1.163 175.245 176.300 0.180 0.000 1.020 341 D CA -0.560 53.500 54.000 0.100 0.000 0.891 341 D CB 0.972 41.801 40.800 0.048 0.000 1.187 341 D HN -0.018 nan 8.370 nan 0.000 0.443 342 W N 5.098 126.378 121.300 -0.034 0.000 2.702 342 W HA 0.418 5.093 4.660 0.026 0.000 0.331 342 W C -1.270 175.226 176.519 -0.038 0.000 1.049 342 W CA -0.614 56.707 57.345 -0.040 0.000 1.230 342 W CB 1.103 30.540 29.460 -0.038 0.000 1.408 342 W HN 0.585 nan 8.180 nan 0.000 0.492 343 N N 3.891 122.161 118.700 -0.717 0.000 2.825 343 N HA 0.324 5.079 4.740 0.025 0.000 0.253 343 N C -2.735 172.389 175.510 -0.643 0.000 1.426 343 N CA -1.518 51.227 53.050 -0.508 0.000 0.851 343 N CB 2.047 40.370 38.487 -0.273 0.000 1.470 343 N HN -0.083 nan 8.380 nan 0.000 0.517 344 P HA -0.169 nan 4.420 nan 0.000 0.216 344 P C 1.538 178.643 177.300 -0.325 0.000 1.154 344 P CA 1.153 64.078 63.100 -0.292 0.000 0.865 344 P CB -0.001 31.592 31.700 -0.179 0.000 0.789 345 C N 0.041 119.151 119.300 -0.317 0.000 2.413 345 C HA -0.165 4.310 4.460 0.025 0.000 0.278 345 C C 2.474 177.255 174.990 -0.349 0.000 1.224 345 C CA 1.368 60.213 59.018 -0.288 0.000 1.732 345 C CB -1.511 26.081 27.740 -0.248 0.000 2.050 345 C HN 0.170 nan 8.230 nan 0.000 0.463 346 K N 0.649 120.760 120.400 -0.481 0.000 2.063 346 K HA -0.113 4.223 4.320 0.025 0.000 0.208 346 K C 2.314 178.535 176.600 -0.632 0.000 1.048 346 K CA 1.635 57.589 56.287 -0.556 0.000 0.928 346 K CB -0.443 31.651 32.500 -0.677 0.000 0.713 346 K HN 0.594 nan 8.250 nan 0.000 0.442 347 A N 1.741 124.018 122.820 -0.904 0.000 1.908 347 A HA -0.155 4.180 4.320 0.025 0.000 0.218 347 A C 2.429 179.925 177.584 -0.146 0.000 1.181 347 A CA 1.950 53.721 52.037 -0.445 0.000 0.627 347 A CB -0.768 18.047 19.000 -0.307 0.000 0.818 347 A HN 0.347 nan 8.150 nan 0.000 0.445 348 A N -0.482 122.222 122.820 -0.193 0.000 1.883 348 A HA 0.078 4.413 4.320 0.025 0.000 0.217 348 A C 2.457 179.979 177.584 -0.103 0.000 1.186 348 A CA 2.100 54.063 52.037 -0.124 0.000 0.624 348 A CB -1.494 17.413 19.000 -0.154 0.000 0.822 348 A HN 0.775 nan 8.150 nan 0.000 0.444 349 G N -0.616 108.101 108.800 -0.138 0.000 2.446 349 G HA2 -0.144 3.831 3.960 0.025 0.000 0.217 349 G HA3 -0.144 3.831 3.960 0.025 0.000 0.217 349 G C 1.525 176.399 174.900 -0.044 0.000 1.168 349 G CA 1.260 46.297 45.100 -0.105 0.000 0.771 349 G HN 0.331 nan 8.290 nan 0.000 0.551 350 V N 0.119 120.021 119.914 -0.021 0.000 2.392 350 V HA -0.238 3.897 4.120 0.025 0.000 0.249 350 V C 2.958 179.093 176.094 0.068 0.000 1.059 350 V CA 1.792 64.130 62.300 0.064 0.000 1.051 350 V CB -0.620 31.322 31.823 0.199 0.000 0.658 350 V HN 0.605 nan 8.190 nan 0.000 0.455 351 C N -0.551 118.782 119.300 0.055 0.000 2.436 351 C HA -0.122 4.354 4.460 0.025 0.000 0.277 351 C C 2.629 177.641 174.990 0.037 0.000 1.241 351 C CA 1.138 60.191 59.018 0.059 0.000 1.721 351 C CB -1.069 26.707 27.740 0.059 0.000 2.043 351 C HN 0.569 nan 8.230 nan 0.000 0.472 352 L N 0.410 121.640 121.223 0.010 0.000 2.043 352 L HA -0.235 4.120 4.340 0.025 0.000 0.212 352 L C 2.722 179.614 176.870 0.037 0.000 1.075 352 L CA 2.255 57.099 54.840 0.007 0.000 0.752 352 L CB -0.560 41.491 42.059 -0.014 0.000 0.891 352 L HN 0.541 nan 8.230 nan 0.000 0.432 353 M N -0.486 119.148 119.600 0.056 0.000 2.080 353 M HA -0.269 4.226 4.480 0.025 0.000 0.260 353 M C 2.209 178.546 176.300 0.062 0.000 1.068 353 M CA 1.904 57.251 55.300 0.078 0.000 1.109 353 M CB -0.073 32.591 32.600 0.107 0.000 1.342 353 M HN 0.198 nan 8.290 nan 0.000 0.405 354 L N 0.047 121.304 121.223 0.057 0.000 2.093 354 L HA -0.207 4.148 4.340 0.025 0.000 0.208 354 L C 2.399 179.299 176.870 0.050 0.000 1.085 354 L CA 0.932 55.802 54.840 0.050 0.000 0.755 354 L CB -0.634 41.455 42.059 0.050 0.000 0.904 354 L HN 0.419 nan 8.230 nan 0.000 0.435 355 L N -0.452 120.800 121.223 0.048 0.000 2.083 355 L HA -0.190 4.165 4.340 0.025 0.000 0.209 355 L C 2.810 179.705 176.870 0.042 0.000 1.083 355 L CA 1.079 55.944 54.840 0.042 0.000 0.752 355 L CB -0.513 41.555 42.059 0.015 0.000 0.899 355 L HN 0.254 nan 8.230 nan 0.000 0.433 356 A N -0.727 122.118 122.820 0.041 0.000 1.929 356 A HA -0.151 4.184 4.320 0.025 0.000 0.216 356 A C 2.254 179.861 177.584 0.038 0.000 1.176 356 A CA 2.023 54.084 52.037 0.040 0.000 0.628 356 A CB -0.686 18.335 19.000 0.036 0.000 0.816 356 A HN 0.374 nan 8.150 nan 0.000 0.444 357 T N -1.571 113.007 114.554 0.039 0.000 3.023 357 T HA -0.089 4.276 4.350 0.025 0.000 0.266 357 T C 1.804 176.527 174.700 0.040 0.000 1.093 357 T CA 1.139 63.260 62.100 0.035 0.000 1.129 357 T CB -0.470 68.417 68.868 0.033 0.000 0.899 357 T HN 0.613 nan 8.240 nan 0.000 0.491 358 C N 0.422 119.752 119.300 0.050 0.000 2.541 358 C HA 0.121 4.596 4.460 0.025 0.000 0.284 358 C C 2.554 177.597 174.990 0.087 0.000 1.341 358 C CA -0.012 59.045 59.018 0.064 0.000 1.732 358 C CB -1.025 26.757 27.740 0.071 0.000 2.126 358 C HN 0.615 nan 8.230 nan 0.000 0.505 359 C N 1.947 121.294 119.300 0.079 0.000 2.578 359 C HA 0.176 4.651 4.460 0.025 0.000 0.285 359 C C 1.359 176.385 174.990 0.059 0.000 1.297 359 C CA -0.098 58.968 59.018 0.079 0.000 1.690 359 C CB -2.063 25.715 27.740 0.065 0.000 1.773 359 C HN 0.749 nan 8.230 nan 0.000 0.594 360 E N 1.738 121.969 120.200 0.052 0.000 3.361 360 E HA -0.311 4.054 4.350 0.025 0.000 0.443 360 E C 0.510 177.131 176.600 0.035 0.000 1.573 360 E CA 2.534 58.957 56.400 0.038 0.000 1.190 360 E CB -1.364 28.357 29.700 0.034 0.000 1.374 360 E HN 0.699 nan 8.360 nan 0.000 0.442 361 D N 0.587 121.007 120.400 0.033 0.000 2.398 361 D HA 0.155 4.811 4.640 0.025 0.000 0.210 361 D C 0.534 176.864 176.300 0.049 0.000 1.094 361 D CA 0.499 54.520 54.000 0.034 0.000 0.839 361 D CB -0.248 40.566 40.800 0.024 0.000 0.963 361 D HN 0.184 nan 8.370 nan 0.000 0.506 362 D N 0.217 120.651 120.400 0.057 0.000 2.371 362 D HA 0.055 4.710 4.640 0.025 0.000 0.221 362 D C 1.565 177.951 176.300 0.142 0.000 0.986 362 D CA 0.385 54.436 54.000 0.085 0.000 0.899 362 D CB 0.309 41.147 40.800 0.064 0.000 0.902 362 D HN 0.318 nan 8.370 nan 0.000 0.530 363 I N -0.564 120.072 120.570 0.111 0.000 3.081 363 I HA -0.115 4.070 4.170 0.025 0.000 0.274 363 I C 1.586 177.788 176.117 0.141 0.000 1.178 363 I CA 0.302 61.678 61.300 0.127 0.000 1.460 363 I CB 0.313 38.356 38.000 0.072 0.000 1.137 363 I HN -0.157 nan 8.210 nan 0.000 0.443 364 V N 2.916 122.890 119.914 0.099 0.000 2.252 364 V HA -0.204 3.931 4.120 0.025 0.000 0.249 364 V C -0.381 175.758 176.094 0.076 0.000 1.056 364 V CA 2.303 64.655 62.300 0.087 0.000 1.022 364 V CB -2.344 29.517 31.823 0.063 0.000 0.641 364 V HN 0.366 nan 8.190 nan 0.000 0.445 365 P HA -0.120 nan 4.420 nan 0.000 0.219 365 P C 1.148 178.366 177.300 -0.136 0.000 1.146 365 P CA 1.530 64.584 63.100 -0.077 0.000 0.808 365 P CB -0.118 31.482 31.700 -0.167 0.000 0.779 366 H N -2.523 116.570 119.070 0.038 0.000 2.562 366 H HA 0.100 4.671 4.556 0.025 0.000 0.267 366 H C 1.536 176.901 175.328 0.062 0.000 0.959 366 H CA 0.413 56.482 56.048 0.035 0.000 1.204 366 H CB 0.057 29.825 29.762 0.010 0.000 1.430 366 H HN -0.075 nan 8.280 nan 0.000 0.545 367 V N -0.041 119.981 119.914 0.179 0.000 3.085 367 V HA -0.062 4.073 4.120 0.025 0.000 0.245 367 V C 2.104 178.336 176.094 0.230 0.000 1.114 367 V CA 0.499 62.910 62.300 0.185 0.000 1.108 367 V CB -0.135 31.782 31.823 0.158 0.000 0.798 367 V HN 0.305 nan 8.190 nan 0.000 0.471 368 L N 0.538 121.865 121.223 0.173 0.000 1.990 368 L HA -0.162 4.193 4.340 0.025 0.000 0.213 368 L C -0.009 176.940 176.870 0.132 0.000 1.072 368 L CA 2.082 57.012 54.840 0.150 0.000 0.755 368 L CB -1.986 40.129 42.059 0.093 0.000 0.889 368 L HN 0.350 nan 8.230 nan 0.000 0.432 369 P HA -0.234 nan 4.420 nan 0.000 0.217 369 P C 1.534 178.914 177.300 0.135 0.000 1.148 369 P CA 1.522 64.674 63.100 0.086 0.000 0.828 369 P CB -0.077 31.670 31.700 0.079 0.000 0.783 370 F N -0.397 119.611 119.950 0.096 0.000 2.259 370 F HA -0.058 4.484 4.527 0.026 0.000 0.298 370 F C 1.945 177.874 175.800 0.215 0.000 1.088 370 F CA 1.105 59.214 58.000 0.182 0.000 1.358 370 F CB -0.415 38.693 39.000 0.180 0.000 1.040 370 F HN -0.240 nan 8.300 nan 0.000 0.505 371 I N 0.315 121.033 120.570 0.247 0.000 2.163 371 I HA -0.273 3.912 4.170 0.025 0.000 0.240 371 I C 2.322 178.420 176.117 -0.031 0.000 1.081 371 I CA 0.947 62.329 61.300 0.136 0.000 1.353 371 I CB -0.526 37.573 38.000 0.165 0.000 1.054 371 I HN -0.070 nan 8.210 nan 0.000 0.407 372 K N 0.808 121.177 120.400 -0.052 0.000 2.074 372 K HA -0.278 4.057 4.320 0.025 0.000 0.209 372 K C 1.902 178.380 176.600 -0.203 0.000 1.048 372 K CA 1.635 57.856 56.287 -0.110 0.000 0.926 372 K CB -0.601 31.847 32.500 -0.087 0.000 0.713 372 K HN 0.453 nan 8.250 nan 0.000 0.444 373 E N -0.131 119.874 120.200 -0.324 0.000 2.418 373 E HA -0.154 4.211 4.350 0.025 0.000 0.197 373 E C 0.711 176.755 176.600 -0.928 0.000 1.026 373 E CA 0.736 56.756 56.400 -0.634 0.000 0.862 373 E CB 0.244 29.468 29.700 -0.794 0.000 0.799 373 E HN 0.420 nan 8.360 nan 0.000 0.518 374 H N -1.475 117.433 119.070 -0.271 0.000 3.680 374 H HA 0.090 4.661 4.556 0.025 0.000 0.260 374 H C 1.662 176.926 175.328 -0.108 0.000 1.183 374 H CA -0.150 55.756 56.048 -0.236 0.000 1.159 374 H CB 0.189 29.746 29.762 -0.341 0.000 1.567 374 H HN 0.158 nan 8.280 nan 0.000 0.648 375 I N 1.279 121.840 120.570 -0.014 0.000 2.454 375 I HA -0.202 3.983 4.170 0.025 0.000 0.254 375 I C 1.430 177.549 176.117 0.004 0.000 1.156 375 I CA 1.475 62.778 61.300 0.004 0.000 1.433 375 I CB 0.345 38.317 38.000 -0.046 0.000 1.082 375 I HN -0.118 nan 8.210 nan 0.000 0.432 376 K N 0.799 121.186 120.400 -0.022 0.000 2.564 376 K HA 0.175 4.510 4.320 0.025 0.000 0.205 376 K C -0.149 176.445 176.600 -0.009 0.000 1.053 376 K CA -0.380 55.901 56.287 -0.011 0.000 1.072 376 K CB -0.398 32.084 32.500 -0.030 0.000 0.822 376 K HN 0.121 nan 8.250 nan 0.000 0.497 377 N N 0.880 119.583 118.700 0.005 0.000 2.454 377 N HA 0.036 4.791 4.740 0.025 0.000 0.254 377 N C -1.835 173.709 175.510 0.056 0.000 1.228 377 N CA -1.138 51.919 53.050 0.012 0.000 0.900 377 N CB 1.038 39.574 38.487 0.081 0.000 1.089 377 N HN -0.043 nan 8.380 nan 0.000 0.449 378 P HA -0.108 nan 4.420 nan 0.000 0.219 378 P C -0.281 177.098 177.300 0.132 0.000 1.146 378 P CA 1.046 64.187 63.100 0.068 0.000 0.808 378 P CB 0.141 31.868 31.700 0.045 0.000 0.779 379 D N -1.912 118.585 120.400 0.160 0.000 2.414 379 D HA 0.025 4.680 4.640 0.025 0.000 0.251 379 D C 0.948 177.424 176.300 0.294 0.000 1.252 379 D CA -0.316 53.829 54.000 0.241 0.000 0.999 379 D CB 0.379 41.305 40.800 0.210 0.000 1.093 379 D HN 0.110 nan 8.370 nan 0.000 0.515 380 W N 0.417 121.765 121.300 0.081 0.000 2.866 380 W HA 0.176 4.851 4.660 0.025 0.000 0.258 380 W C 1.419 177.968 176.519 0.051 0.000 1.183 380 W CA -0.179 57.202 57.345 0.060 0.000 1.451 380 W CB -0.500 28.983 29.460 0.038 0.000 0.959 380 W HN 0.239 nan 8.180 nan 0.000 0.622 381 R N -0.387 119.625 120.500 -0.813 0.000 2.189 381 R HA -0.021 4.334 4.340 0.025 0.000 0.218 381 R C 1.972 178.031 176.300 -0.402 0.000 1.074 381 R CA 1.431 57.058 56.100 -0.787 0.000 0.991 381 R CB -0.515 29.155 30.300 -1.051 0.000 0.883 381 R HN 0.149 nan 8.270 nan 0.000 0.457 382 Y N 0.288 120.435 120.300 -0.254 0.000 2.262 382 Y HA -0.005 4.560 4.550 0.025 0.000 0.295 382 Y C 2.649 178.489 175.900 -0.099 0.000 1.121 382 Y CA 0.725 58.694 58.100 -0.218 0.000 1.144 382 Y CB 0.188 38.505 38.460 -0.238 0.000 1.043 382 Y HN -0.125 nan 8.280 nan 0.000 0.528 383 R N 0.568 121.168 120.500 0.166 0.000 2.127 383 R HA -0.215 4.141 4.340 0.025 0.000 0.238 383 R C 1.580 177.961 176.300 0.135 0.000 1.134 383 R CA 2.152 58.341 56.100 0.148 0.000 0.975 383 R CB -0.348 30.042 30.300 0.149 0.000 0.865 383 R HN 0.292 nan 8.270 nan 0.000 0.447 384 D N -0.244 120.221 120.400 0.108 0.000 2.149 384 D HA -0.027 4.628 4.640 0.025 0.000 0.201 384 D C 1.739 178.113 176.300 0.122 0.000 0.972 384 D CA 1.323 55.388 54.000 0.108 0.000 0.835 384 D CB 0.014 40.855 40.800 0.068 0.000 0.966 384 D HN 0.359 nan 8.370 nan 0.000 0.476 385 A N 0.433 123.320 122.820 0.111 0.000 1.972 385 A HA 0.018 4.353 4.320 0.025 0.000 0.219 385 A C 2.310 180.126 177.584 0.388 0.000 1.169 385 A CA 2.040 54.206 52.037 0.214 0.000 0.635 385 A CB -0.890 18.268 19.000 0.263 0.000 0.810 385 A HN 0.306 nan 8.150 nan 0.000 0.446 386 A N -0.502 122.508 122.820 0.316 0.000 1.855 386 A HA 0.015 4.350 4.320 0.025 0.000 0.215 386 A C 2.220 179.982 177.584 0.296 0.000 1.191 386 A CA 1.767 53.986 52.037 0.303 0.000 0.613 386 A CB -0.990 18.101 19.000 0.152 0.000 0.829 386 A HN 0.408 nan 8.150 nan 0.000 0.442 387 V N -0.437 119.623 119.914 0.244 0.000 2.343 387 V HA -0.297 3.838 4.120 0.025 0.000 0.247 387 V C 2.578 178.903 176.094 0.385 0.000 1.051 387 V CA 2.400 64.869 62.300 0.282 0.000 1.036 387 V CB -0.769 31.190 31.823 0.227 0.000 0.654 387 V HN 0.662 nan 8.190 nan 0.000 0.451 388 M N 1.213 121.010 119.600 0.327 0.000 2.067 388 M HA -0.095 4.400 4.480 0.025 0.000 0.260 388 M C 2.123 178.641 176.300 0.363 0.000 1.069 388 M CA 2.359 57.859 55.300 0.333 0.000 1.117 388 M CB -0.866 31.812 32.600 0.130 0.000 1.334 388 M HN 0.235 nan 8.290 nan 0.000 0.407 389 A N -0.562 122.437 122.820 0.298 0.000 1.940 389 A HA -0.194 4.141 4.320 0.025 0.000 0.219 389 A C 2.147 179.915 177.584 0.307 0.000 1.176 389 A CA 1.928 54.119 52.037 0.257 0.000 0.631 389 A CB -1.423 17.733 19.000 0.259 0.000 0.814 389 A HN 0.670 nan 8.150 nan 0.000 0.446 390 F N 1.162 121.235 119.950 0.205 0.000 2.102 390 F HA -0.031 4.512 4.527 0.026 0.000 0.298 390 F C 2.288 178.160 175.800 0.120 0.000 1.105 390 F CA 1.580 59.667 58.000 0.145 0.000 1.239 390 F CB -0.851 38.218 39.000 0.116 0.000 0.991 390 F HN 0.185 nan 8.300 nan 0.000 0.474 391 G N -1.162 107.686 108.800 0.080 0.000 2.509 391 G HA2 -0.222 3.753 3.960 0.025 0.000 0.218 391 G HA3 -0.222 3.753 3.960 0.025 0.000 0.218 391 G C 1.476 176.384 174.900 0.015 0.000 1.124 391 G CA 0.983 45.962 45.100 -0.202 0.000 0.776 391 G HN 0.517 nan 8.290 nan 0.000 0.547 392 C N 0.313 119.767 119.300 0.257 0.000 2.514 392 C HA 0.188 4.663 4.460 0.025 0.000 0.271 392 C C 2.021 177.061 174.990 0.082 0.000 1.399 392 C CA 0.250 59.419 59.018 0.252 0.000 1.765 392 C CB -0.661 27.209 27.740 0.217 0.000 1.893 392 C HN 0.615 nan 8.230 nan 0.000 0.531 393 I N -2.612 117.951 120.570 -0.011 0.000 3.941 393 I HA 0.218 4.403 4.170 0.025 0.000 0.335 393 I C 1.359 177.401 176.117 -0.125 0.000 1.402 393 I CA 0.890 62.168 61.300 -0.037 0.000 1.112 393 I CB -0.782 37.223 38.000 0.009 0.000 1.043 393 I HN 0.031 nan 8.210 nan 0.000 0.395 394 L N 0.632 121.732 121.223 -0.205 0.000 2.217 394 L HA 0.147 4.502 4.340 0.025 0.000 0.211 394 L C 1.003 177.800 176.870 -0.121 0.000 1.107 394 L CA 0.935 55.629 54.840 -0.244 0.000 0.783 394 L CB -0.082 41.774 42.059 -0.338 0.000 0.919 394 L HN 0.495 nan 8.230 nan 0.000 0.442 395 E N -0.988 119.173 120.200 -0.064 0.000 2.179 395 E HA 0.432 4.797 4.350 0.025 0.000 0.275 395 E C 0.362 176.959 176.600 -0.005 0.000 0.945 395 E CA 0.445 56.831 56.400 -0.024 0.000 0.792 395 E CB 1.566 31.268 29.700 0.003 0.000 1.125 395 E HN 0.176 nan 8.360 nan 0.000 0.397 396 G N 4.463 113.263 108.800 -0.000 0.000 2.793 396 G HA2 -0.161 3.814 3.960 0.025 0.000 0.197 396 G HA3 -0.161 3.814 3.960 0.025 0.000 0.197 396 G C -2.345 172.561 174.900 0.010 0.000 2.112 396 G CA -0.358 44.749 45.100 0.011 0.000 1.556 396 G HN 0.559 nan 8.290 nan 0.000 0.534 397 P HA 0.457 nan 4.420 nan 0.000 0.272 397 P C -0.503 176.797 177.300 0.001 0.000 1.223 397 P CA 0.080 63.185 63.100 0.008 0.000 0.784 397 P CB 0.529 32.235 31.700 0.011 0.000 0.923 398 E N 3.072 123.274 120.200 0.004 0.000 2.349 398 E HA 0.181 4.546 4.350 0.025 0.000 0.265 398 E C -1.898 174.702 176.600 -0.000 0.000 1.064 398 E CA -1.719 54.681 56.400 0.001 0.000 0.886 398 E CB -0.956 28.746 29.700 0.003 0.000 1.036 398 E HN 0.273 nan 8.360 nan 0.000 0.413 399 P HA -0.180 nan 4.420 nan 0.000 0.220 399 P C 0.498 177.800 177.300 0.003 0.000 1.144 399 P CA 1.342 64.440 63.100 -0.003 0.000 0.800 399 P CB -0.002 31.695 31.700 -0.005 0.000 0.772 400 S N -1.988 113.715 115.700 0.004 0.000 2.803 400 S HA -0.042 4.443 4.470 0.025 0.000 0.226 400 S C 1.435 176.041 174.600 0.010 0.000 0.962 400 S CA 0.330 58.534 58.200 0.006 0.000 0.968 400 S CB -0.681 62.522 63.200 0.005 0.000 0.786 400 S HN 0.262 nan 8.310 nan 0.000 0.527 401 Q N -1.424 118.384 119.800 0.013 0.000 1.891 401 Q HA 0.277 4.632 4.340 0.025 0.000 0.206 401 Q C 0.688 176.707 176.000 0.032 0.000 0.710 401 Q CA -0.029 55.786 55.803 0.020 0.000 0.840 401 Q CB 0.068 28.818 28.738 0.019 0.000 1.211 401 Q HN 0.454 nan 8.270 nan 0.000 0.424 402 L N 0.812 122.050 121.223 0.025 0.000 2.349 402 L HA 0.202 4.557 4.340 0.025 0.000 0.200 402 L C 1.870 178.768 176.870 0.045 0.000 1.064 402 L CA 1.232 56.093 54.840 0.035 0.000 0.821 402 L CB -0.208 41.848 42.059 -0.006 0.000 1.027 402 L HN -0.025 nan 8.230 nan 0.000 0.476 403 K N 0.071 120.484 120.400 0.021 0.000 2.059 403 K HA -0.210 4.125 4.320 0.025 0.000 0.212 403 K C -0.406 176.208 176.600 0.023 0.000 1.050 403 K CA 1.963 58.259 56.287 0.015 0.000 0.927 403 K CB -1.494 31.009 32.500 0.005 0.000 0.714 403 K HN 0.294 nan 8.250 nan 0.000 0.447 404 P HA -0.153 nan 4.420 nan 0.000 0.215 404 P C 1.502 178.820 177.300 0.030 0.000 1.157 404 P CA 1.230 64.343 63.100 0.022 0.000 0.868 404 P CB -0.057 31.656 31.700 0.021 0.000 0.788 405 L N -1.270 119.990 121.223 0.061 0.000 2.012 405 L HA -0.156 4.199 4.340 0.025 0.000 0.210 405 L C 2.414 179.348 176.870 0.106 0.000 1.073 405 L CA 1.390 56.284 54.840 0.089 0.000 0.748 405 L CB -1.269 40.898 42.059 0.179 0.000 0.891 405 L HN -0.135 nan 8.230 nan 0.000 0.431 406 V N -0.174 119.848 119.914 0.180 0.000 2.427 406 V HA -0.261 3.874 4.120 0.025 0.000 0.248 406 V C 2.479 178.573 176.094 0.001 0.000 1.051 406 V CA 1.231 63.655 62.300 0.207 0.000 1.048 406 V CB -0.305 31.604 31.823 0.142 0.000 0.666 406 V HN 0.256 nan 8.190 nan 0.000 0.456 407 I N 1.040 121.587 120.570 -0.039 0.000 2.099 407 I HA -0.303 3.882 4.170 0.025 0.000 0.239 407 I C 2.728 178.762 176.117 -0.137 0.000 1.066 407 I CA 2.239 63.468 61.300 -0.117 0.000 1.324 407 I CB -1.440 36.534 38.000 -0.043 0.000 1.037 407 I HN 0.565 nan 8.210 nan 0.000 0.401 408 Q N 0.622 120.382 119.800 -0.067 0.000 2.488 408 Q HA 0.029 4.385 4.340 0.025 0.000 0.211 408 Q C 1.767 177.705 176.000 -0.104 0.000 0.967 408 Q CA 1.202 56.971 55.803 -0.057 0.000 0.926 408 Q CB -0.264 28.453 28.738 -0.035 0.000 0.992 408 Q HN 0.450 nan 8.270 nan 0.000 0.506 409 A N 0.304 123.034 122.820 -0.150 0.000 2.169 409 A HA 0.129 4.465 4.320 0.025 0.000 0.210 409 A C 1.959 179.442 177.584 -0.169 0.000 1.168 409 A CA 0.015 51.912 52.037 -0.233 0.000 0.813 409 A CB -0.014 18.702 19.000 -0.472 0.000 0.861 409 A HN 0.194 nan 8.150 nan 0.000 0.481 410 M N 0.175 119.665 119.600 -0.184 0.000 2.059 410 M HA -0.074 4.421 4.480 0.025 0.000 0.259 410 M C -0.521 175.709 176.300 -0.117 0.000 1.072 410 M CA 1.708 56.872 55.300 -0.227 0.000 1.117 410 M CB -2.203 30.060 32.600 -0.562 0.000 1.320 410 M HN 0.100 nan 8.290 nan 0.000 0.408 411 P HA -0.108 nan 4.420 nan 0.000 0.215 411 P C 1.439 178.758 177.300 0.033 0.000 1.157 411 P CA 1.647 64.807 63.100 0.100 0.000 0.874 411 P CB -0.372 31.413 31.700 0.141 0.000 0.790 412 T N -0.591 113.955 114.554 -0.014 0.000 2.833 412 T HA -0.118 4.247 4.350 0.025 0.000 0.269 412 T C 1.644 176.335 174.700 -0.014 0.000 1.054 412 T CA 0.870 62.955 62.100 -0.024 0.000 1.135 412 T CB -0.714 68.115 68.868 -0.064 0.000 0.869 412 T HN -0.026 nan 8.240 nan 0.000 0.466 413 L N 0.790 122.001 121.223 -0.021 0.000 2.095 413 L HA 0.201 4.556 4.340 0.025 0.000 0.204 413 L C 2.080 178.962 176.870 0.020 0.000 1.080 413 L CA 1.211 56.054 54.840 0.004 0.000 0.759 413 L CB -0.486 41.576 42.059 0.005 0.000 0.914 413 L HN 0.279 nan 8.230 nan 0.000 0.439 414 I N -0.185 120.397 120.570 0.020 0.000 2.208 414 I HA -0.307 3.878 4.170 0.025 0.000 0.245 414 I C 2.383 178.518 176.117 0.030 0.000 1.097 414 I CA 1.765 63.083 61.300 0.029 0.000 1.363 414 I CB -0.747 37.286 38.000 0.055 0.000 1.051 414 I HN 0.402 nan 8.210 nan 0.000 0.413 415 E N 1.951 122.170 120.200 0.032 0.000 2.150 415 E HA -0.164 4.201 4.350 0.025 0.000 0.193 415 E C 2.156 178.775 176.600 0.032 0.000 0.985 415 E CA 1.002 57.420 56.400 0.029 0.000 0.814 415 E CB -0.482 29.233 29.700 0.026 0.000 0.752 415 E HN 0.513 nan 8.360 nan 0.000 0.466 416 L N 0.359 121.604 121.223 0.036 0.000 2.456 416 L HA 0.009 4.364 4.340 0.025 0.000 0.224 416 L C 2.301 179.205 176.870 0.055 0.000 1.148 416 L CA 0.522 55.391 54.840 0.048 0.000 0.825 416 L CB -0.316 41.777 42.059 0.057 0.000 0.937 416 L HN 0.250 nan 8.230 nan 0.000 0.450 417 M N -0.558 119.070 119.600 0.047 0.000 2.682 417 M HA -0.069 4.426 4.480 0.025 0.000 0.235 417 M C 0.843 177.167 176.300 0.040 0.000 1.114 417 M CA 1.190 56.518 55.300 0.047 0.000 1.053 417 M CB -0.062 32.557 32.600 0.032 0.000 1.599 417 M HN 0.139 nan 8.290 nan 0.000 0.520 418 K N -0.676 119.747 120.400 0.038 0.000 2.533 418 K HA 0.107 4.442 4.320 0.025 0.000 0.202 418 K C -0.016 176.603 176.600 0.032 0.000 1.096 418 K CA -0.173 56.133 56.287 0.032 0.000 1.056 418 K CB 0.878 33.393 32.500 0.025 0.000 0.890 418 K HN 0.145 nan 8.250 nan 0.000 0.552 419 D N 1.745 122.171 120.400 0.042 0.000 2.443 419 D HA -0.005 4.650 4.640 0.025 0.000 0.239 419 D C -1.695 174.628 176.300 0.038 0.000 1.136 419 D CA -1.380 52.647 54.000 0.046 0.000 0.879 419 D CB 1.364 42.203 40.800 0.066 0.000 1.195 419 D HN -0.142 nan 8.370 nan 0.000 0.443 420 P HA -0.124 nan 4.420 nan 0.000 0.216 420 P C 0.398 177.697 177.300 -0.002 0.000 1.157 420 P CA 0.849 63.950 63.100 0.003 0.000 0.880 420 P CB 0.039 31.733 31.700 -0.010 0.000 0.791 421 S N -0.644 115.070 115.700 0.023 0.000 2.466 421 S HA 0.033 4.518 4.470 0.025 0.000 0.286 421 S C 1.422 176.062 174.600 0.067 0.000 1.221 421 S CA -0.461 57.763 58.200 0.041 0.000 1.091 421 S CB -0.358 62.934 63.200 0.154 0.000 0.956 421 S HN -0.218 nan 8.310 nan 0.000 0.501 422 V N 6.663 126.601 119.914 0.041 0.000 2.380 422 V HA -0.180 3.955 4.120 0.025 0.000 0.251 422 V C 2.320 178.465 176.094 0.085 0.000 1.063 422 V CA 2.071 64.403 62.300 0.053 0.000 1.055 422 V CB -0.724 31.120 31.823 0.034 0.000 0.657 422 V HN 0.850 nan 8.190 nan 0.000 0.455 423 V N -0.340 119.645 119.914 0.118 0.000 2.332 423 V HA -0.238 3.897 4.120 0.025 0.000 0.248 423 V C 2.406 178.580 176.094 0.134 0.000 1.055 423 V CA 1.961 64.343 62.300 0.136 0.000 1.038 423 V CB -0.578 31.366 31.823 0.202 0.000 0.651 423 V HN 0.437 nan 8.190 nan 0.000 0.450 424 V N 0.099 120.102 119.914 0.150 0.000 2.407 424 V HA -0.236 3.899 4.120 0.025 0.000 0.248 424 V C 2.557 178.727 176.094 0.127 0.000 1.055 424 V CA 1.998 64.383 62.300 0.142 0.000 1.049 424 V CB -0.808 31.100 31.823 0.142 0.000 0.662 424 V HN 0.508 nan 8.190 nan 0.000 0.455 425 R N -0.141 120.423 120.500 0.107 0.000 2.148 425 R HA -0.112 4.243 4.340 0.025 0.000 0.223 425 R C 2.014 178.383 176.300 0.114 0.000 1.088 425 R CA 1.277 57.436 56.100 0.097 0.000 0.985 425 R CB -0.380 29.964 30.300 0.074 0.000 0.880 425 R HN 0.521 nan 8.270 nan 0.000 0.451 426 D N 0.451 120.920 120.400 0.115 0.000 2.084 426 D HA -0.101 4.554 4.640 0.025 0.000 0.196 426 D C 1.471 177.877 176.300 0.175 0.000 0.985 426 D CA 1.514 55.588 54.000 0.123 0.000 0.826 426 D CB -0.053 40.801 40.800 0.090 0.000 0.978 426 D HN -0.038 nan 8.370 nan 0.000 0.456 427 T N 0.227 114.886 114.554 0.175 0.000 2.833 427 T HA -0.041 4.325 4.350 0.025 0.000 0.269 427 T C 1.906 176.814 174.700 0.347 0.000 1.054 427 T CA 1.401 63.658 62.100 0.262 0.000 1.135 427 T CB -0.437 68.554 68.868 0.206 0.000 0.869 427 T HN 0.280 nan 8.240 nan 0.000 0.466 428 A N 1.674 124.635 122.820 0.234 0.000 1.883 428 A HA 0.054 4.390 4.320 0.025 0.000 0.217 428 A C 2.673 180.367 177.584 0.183 0.000 1.186 428 A CA 1.992 54.143 52.037 0.190 0.000 0.624 428 A CB -1.232 17.845 19.000 0.128 0.000 0.822 428 A HN 0.514 nan 8.150 nan 0.000 0.444 429 A N -1.532 121.401 122.820 0.188 0.000 1.877 429 A HA -0.174 4.162 4.320 0.025 0.000 0.216 429 A C 2.020 179.768 177.584 0.273 0.000 1.186 429 A CA 1.707 53.849 52.037 0.174 0.000 0.620 429 A CB -1.024 18.077 19.000 0.169 0.000 0.822 429 A HN 0.942 nan 8.150 nan 0.000 0.443 430 W N 1.272 122.689 121.300 0.195 0.000 2.338 430 W HA -0.172 4.503 4.660 0.025 0.000 0.304 430 W C 2.083 178.784 176.519 0.304 0.000 1.212 430 W CA 2.575 60.099 57.345 0.299 0.000 1.264 430 W CB -0.654 28.905 29.460 0.166 0.000 1.142 430 W HN 0.259 nan 8.180 nan 0.000 0.512 431 T N 0.802 115.395 114.554 0.065 0.000 2.708 431 T HA -0.222 4.144 4.350 0.025 0.000 0.266 431 T C 1.856 176.435 174.700 -0.201 0.000 1.037 431 T CA 2.270 64.224 62.100 -0.244 0.000 1.146 431 T CB -0.906 68.028 68.868 0.109 0.000 0.865 431 T HN 0.033 nan 8.240 nan 0.000 0.435 432 V N 1.547 121.419 119.914 -0.071 0.000 2.287 432 V HA -0.140 3.995 4.120 0.025 0.000 0.248 432 V C 2.898 178.854 176.094 -0.230 0.000 1.053 432 V CA 2.072 64.306 62.300 -0.110 0.000 1.027 432 V CB -1.414 30.362 31.823 -0.078 0.000 0.646 432 V HN 0.612 nan 8.190 nan 0.000 0.447 433 G N -0.168 108.462 108.800 -0.282 0.000 2.432 433 G HA2 -0.301 3.674 3.960 0.025 0.000 0.219 433 G HA3 -0.301 3.674 3.960 0.025 0.000 0.219 433 G C 1.655 176.095 174.900 -0.766 0.000 1.135 433 G CA 0.857 45.557 45.100 -0.665 0.000 0.767 433 G HN 0.465 nan 8.290 nan 0.000 0.550 434 R N 0.317 120.565 120.500 -0.419 0.000 2.189 434 R HA 0.152 4.507 4.340 0.025 0.000 0.223 434 R C 2.237 178.359 176.300 -0.297 0.000 1.092 434 R CA 0.821 56.727 56.100 -0.323 0.000 0.989 434 R CB -0.374 29.477 30.300 -0.748 0.000 0.876 434 R HN 0.446 nan 8.270 nan 0.000 0.457 435 I N -0.221 120.178 120.570 -0.285 0.000 2.206 435 I HA -0.249 3.936 4.170 0.025 0.000 0.239 435 I C 2.267 178.276 176.117 -0.181 0.000 1.078 435 I CA 1.130 62.307 61.300 -0.205 0.000 1.367 435 I CB -0.463 37.453 38.000 -0.141 0.000 1.078 435 I HN 0.361 nan 8.210 nan 0.000 0.413 436 C N 0.012 119.188 119.300 -0.207 0.000 2.422 436 C HA -0.107 4.368 4.460 0.025 0.000 0.286 436 C C 2.495 177.377 174.990 -0.179 0.000 1.412 436 C CA 0.378 59.290 59.018 -0.176 0.000 1.786 436 C CB -1.462 26.166 27.740 -0.186 0.000 1.835 436 C HN 0.576 nan 8.230 nan 0.000 0.533 437 E N 0.857 120.919 120.200 -0.230 0.000 2.107 437 E HA -0.056 4.309 4.350 0.025 0.000 0.191 437 E C 1.767 178.320 176.600 -0.079 0.000 0.982 437 E CA 1.033 57.336 56.400 -0.161 0.000 0.809 437 E CB -0.007 29.613 29.700 -0.135 0.000 0.756 437 E HN 0.789 nan 8.360 nan 0.000 0.459 438 L N 0.043 121.214 121.223 -0.087 0.000 2.817 438 L HA 0.258 4.614 4.340 0.025 0.000 0.248 438 L C 0.391 177.225 176.870 -0.061 0.000 1.133 438 L CA -0.049 54.756 54.840 -0.059 0.000 0.935 438 L CB 0.893 42.916 42.059 -0.060 0.000 1.266 438 L HN 0.025 nan 8.230 nan 0.000 0.535 439 L N 0.356 121.535 121.223 -0.074 0.000 2.511 439 L HA 0.267 4.622 4.340 0.025 0.000 0.252 439 L C -1.934 174.904 176.870 -0.054 0.000 1.542 439 L CA -0.963 53.842 54.840 -0.059 0.000 0.822 439 L CB 1.225 43.246 42.059 -0.063 0.000 1.050 439 L HN -0.168 nan 8.230 nan 0.000 0.516 440 P HA -0.130 nan 4.420 nan 0.000 0.220 440 P C 1.091 178.382 177.300 -0.015 0.000 1.148 440 P CA 1.184 64.264 63.100 -0.032 0.000 0.803 440 P CB 0.394 32.081 31.700 -0.022 0.000 0.782 441 E N -0.609 119.584 120.200 -0.012 0.000 2.208 441 E HA -0.051 4.315 4.350 0.025 0.000 0.193 441 E C 1.894 178.495 176.600 0.002 0.000 0.988 441 E CA 1.023 57.423 56.400 -0.000 0.000 0.828 441 E CB -0.299 29.401 29.700 -0.000 0.000 0.763 441 E HN 0.212 nan 8.360 nan 0.000 0.478 442 A N 0.942 123.753 122.820 -0.016 0.000 2.044 442 A HA 0.262 4.597 4.320 0.025 0.000 0.213 442 A C 2.215 179.770 177.584 -0.047 0.000 1.169 442 A CA 0.795 52.815 52.037 -0.029 0.000 0.724 442 A CB 0.029 19.004 19.000 -0.042 0.000 0.840 442 A HN 0.225 nan 8.150 nan 0.000 0.463 443 A N -0.371 122.423 122.820 -0.043 0.000 2.067 443 A HA 0.273 4.608 4.320 0.025 0.000 0.217 443 A C 1.176 178.766 177.584 0.010 0.000 1.156 443 A CA 0.581 52.592 52.037 -0.044 0.000 0.683 443 A CB -0.314 18.647 19.000 -0.066 0.000 0.808 443 A HN 0.393 nan 8.150 nan 0.000 0.455 444 I N 1.085 121.671 120.570 0.026 0.000 3.261 444 I HA 0.104 4.289 4.170 0.025 0.000 0.341 444 I C -0.242 175.920 176.117 0.076 0.000 1.355 444 I CA -0.352 60.981 61.300 0.056 0.000 1.070 444 I CB -0.338 37.691 38.000 0.048 0.000 1.742 444 I HN 0.158 nan 8.210 nan 0.000 0.498 445 N N 1.976 120.748 118.700 0.120 0.000 2.472 445 N HA 0.043 4.798 4.740 0.025 0.000 0.277 445 N C 0.682 176.280 175.510 0.147 0.000 1.081 445 N CA -0.097 53.053 53.050 0.166 0.000 0.973 445 N CB 1.454 40.128 38.487 0.312 0.000 1.105 445 N HN 0.202 nan 8.380 nan 0.000 0.470 446 D N 1.785 122.235 120.400 0.083 0.000 2.239 446 D HA -0.144 4.511 4.640 0.025 0.000 0.202 446 D C 1.221 177.518 176.300 -0.004 0.000 0.993 446 D CA 1.038 55.060 54.000 0.037 0.000 0.874 446 D CB 0.362 41.173 40.800 0.018 0.000 0.922 446 D HN 0.239 nan 8.370 nan 0.000 0.464 447 V N -0.584 119.299 119.914 -0.052 0.000 3.271 447 V HA 0.062 4.197 4.120 0.025 0.000 0.327 447 V C -0.107 175.723 176.094 -0.438 0.000 1.389 447 V CA 0.089 62.246 62.300 -0.238 0.000 1.156 447 V CB -0.401 31.224 31.823 -0.329 0.000 1.103 447 V HN 0.049 nan 8.190 nan 0.000 0.453 448 Y N -2.362 117.942 120.300 0.007 0.000 2.437 448 Y HA 0.285 4.850 4.550 0.025 0.000 0.266 448 Y C 1.569 177.473 175.900 0.007 0.000 1.077 448 Y CA -0.295 57.807 58.100 0.004 0.000 1.235 448 Y CB 0.367 38.827 38.460 0.001 0.000 1.303 448 Y HN 0.148 nan 8.280 nan 0.000 0.536 449 L N 0.640 121.948 121.223 0.140 0.000 1.989 449 L HA -0.167 4.188 4.340 0.025 0.000 0.211 449 L C 2.371 179.290 176.870 0.082 0.000 1.071 449 L CA 2.308 57.210 54.840 0.103 0.000 0.749 449 L CB -1.317 40.796 42.059 0.090 0.000 0.890 449 L HN 0.230 nan 8.230 nan 0.000 0.431 450 A N -0.112 122.742 122.820 0.056 0.000 1.858 450 A HA -0.112 4.224 4.320 0.025 0.000 0.216 450 A C 0.045 177.655 177.584 0.043 0.000 1.190 450 A CA 1.645 53.709 52.037 0.044 0.000 0.617 450 A CB -1.920 17.091 19.000 0.019 0.000 0.827 450 A HN 0.365 nan 8.150 nan 0.000 0.443 451 P HA -0.138 nan 4.420 nan 0.000 0.215 451 P C 1.687 179.019 177.300 0.053 0.000 1.153 451 P CA 0.940 64.065 63.100 0.042 0.000 0.853 451 P CB -0.094 31.634 31.700 0.047 0.000 0.788 452 L N -0.797 120.468 121.223 0.070 0.000 2.005 452 L HA -0.098 4.257 4.340 0.025 0.000 0.207 452 L C 2.148 179.007 176.870 -0.018 0.000 1.072 452 L CA 1.783 56.638 54.840 0.026 0.000 0.744 452 L CB -1.516 40.561 42.059 0.030 0.000 0.895 452 L HN -0.149 nan 8.230 nan 0.000 0.433 453 L N -0.523 120.718 121.223 0.030 0.000 2.353 453 L HA -0.190 4.165 4.340 0.025 0.000 0.220 453 L C 2.506 179.425 176.870 0.082 0.000 1.133 453 L CA 1.094 55.981 54.840 0.077 0.000 0.798 453 L CB -0.400 41.754 42.059 0.158 0.000 0.922 453 L HN 0.460 nan 8.230 nan 0.000 0.445 454 Q N -1.110 118.719 119.800 0.049 0.000 2.187 454 Q HA -0.159 4.196 4.340 0.025 0.000 0.199 454 Q C 2.263 178.278 176.000 0.025 0.000 0.957 454 Q CA 1.569 57.400 55.803 0.046 0.000 0.857 454 Q CB -0.442 28.317 28.738 0.035 0.000 0.929 454 Q HN 0.459 nan 8.270 nan 0.000 0.453 455 C N -0.639 118.658 119.300 -0.006 0.000 2.475 455 C HA 0.137 4.613 4.460 0.025 0.000 0.279 455 C C 2.257 177.211 174.990 -0.061 0.000 1.322 455 C CA 0.319 59.324 59.018 -0.022 0.000 1.734 455 C CB -0.952 26.773 27.740 -0.025 0.000 2.005 455 C HN 0.625 nan 8.230 nan 0.000 0.495 456 L N 0.291 121.418 121.223 -0.160 0.000 2.156 456 L HA -0.048 4.307 4.340 0.025 0.000 0.208 456 L C 2.441 179.292 176.870 -0.032 0.000 1.095 456 L CA 0.767 55.414 54.840 -0.322 0.000 0.770 456 L CB -0.620 40.785 42.059 -1.090 0.000 0.914 456 L HN 0.252 nan 8.230 nan 0.000 0.439 457 I N 0.508 121.152 120.570 0.123 0.000 2.226 457 I HA -0.246 3.939 4.170 0.025 0.000 0.245 457 I C 2.361 178.546 176.117 0.114 0.000 1.100 457 I CA 1.653 63.079 61.300 0.210 0.000 1.374 457 I CB -0.836 37.261 38.000 0.162 0.000 1.057 457 I HN 0.384 nan 8.210 nan 0.000 0.413 458 E N 0.309 120.548 120.200 0.065 0.000 2.274 458 E HA -0.073 4.292 4.350 0.025 0.000 0.194 458 E C 2.229 178.856 176.600 0.045 0.000 0.996 458 E CA 0.848 57.276 56.400 0.046 0.000 0.840 458 E CB -0.232 29.487 29.700 0.032 0.000 0.772 458 E HN 0.539 nan 8.360 nan 0.000 0.491 459 G N 1.217 110.043 108.800 0.043 0.000 2.484 459 G HA2 -0.160 3.815 3.960 0.025 0.000 0.218 459 G HA3 -0.160 3.815 3.960 0.025 0.000 0.218 459 G C 1.549 176.489 174.900 0.067 0.000 1.130 459 G CA 0.048 45.175 45.100 0.044 0.000 0.784 459 G HN 0.088 nan 8.290 nan 0.000 0.543 460 L N 0.776 122.056 121.223 0.094 0.000 2.191 460 L HA -0.026 4.330 4.340 0.025 0.000 0.212 460 L C 1.932 178.837 176.870 0.058 0.000 1.103 460 L CA 0.858 55.757 54.840 0.098 0.000 0.769 460 L CB -0.004 42.128 42.059 0.121 0.000 0.908 460 L HN 0.100 nan 8.230 nan 0.000 0.438 461 S N -0.615 115.113 115.700 0.047 0.000 2.561 461 S HA 0.443 4.928 4.470 0.025 0.000 0.245 461 S C 0.453 175.072 174.600 0.031 0.000 1.001 461 S CA -0.168 58.051 58.200 0.032 0.000 1.002 461 S CB 0.316 63.531 63.200 0.024 0.000 0.805 461 S HN 0.329 nan 8.310 nan 0.000 0.458 462 A N 1.193 124.036 122.820 0.038 0.000 2.580 462 A HA 0.697 5.032 4.320 0.025 0.000 0.275 462 A C -0.171 177.436 177.584 0.037 0.000 1.321 462 A CA -0.733 51.326 52.037 0.036 0.000 0.924 462 A CB 0.285 19.309 19.000 0.041 0.000 1.512 462 A HN 0.341 nan 8.150 nan 0.000 0.492 463 E N 0.600 120.822 120.200 0.037 0.000 2.413 463 E HA 0.174 4.539 4.350 0.025 0.000 0.263 463 E C -1.822 174.805 176.600 0.045 0.000 1.015 463 E CA -0.998 55.424 56.400 0.038 0.000 0.916 463 E CB 0.337 30.058 29.700 0.035 0.000 0.947 463 E HN 0.298 nan 8.360 nan 0.000 0.440 464 P HA -0.309 nan 4.420 nan 0.000 0.217 464 P C 0.974 178.305 177.300 0.052 0.000 1.162 464 P CA 1.875 65.002 63.100 0.045 0.000 0.901 464 P CB 0.041 31.765 31.700 0.040 0.000 0.793 465 R N -0.664 119.865 120.500 0.048 0.000 2.117 465 R HA -0.093 4.262 4.340 0.025 0.000 0.243 465 R C 1.681 178.025 176.300 0.073 0.000 1.143 465 R CA 1.758 57.889 56.100 0.052 0.000 0.968 465 R CB -1.679 28.647 30.300 0.043 0.000 0.863 465 R HN 0.117 nan 8.270 nan 0.000 0.444 466 V N 0.610 120.568 119.914 0.072 0.000 2.878 466 V HA 0.092 4.227 4.120 0.025 0.000 0.250 466 V C 2.327 178.474 176.094 0.089 0.000 1.075 466 V CA 1.335 63.685 62.300 0.084 0.000 1.096 466 V CB 0.364 32.229 31.823 0.070 0.000 0.724 466 V HN 0.540 nan 8.190 nan 0.000 0.467 467 A N -0.871 121.996 122.820 0.079 0.000 1.984 467 A HA -0.054 4.282 4.320 0.025 0.000 0.214 467 A C 2.417 180.062 177.584 0.102 0.000 1.173 467 A CA 1.402 53.488 52.037 0.082 0.000 0.673 467 A CB -0.348 18.691 19.000 0.065 0.000 0.830 467 A HN 0.397 nan 8.150 nan 0.000 0.453 468 S N 0.775 116.535 115.700 0.099 0.000 2.368 468 S HA -0.148 4.338 4.470 0.025 0.000 0.224 468 S C 1.547 176.250 174.600 0.172 0.000 1.029 468 S CA 1.527 59.794 58.200 0.113 0.000 0.988 468 S CB -0.483 62.765 63.200 0.079 0.000 0.838 468 S HN 0.593 nan 8.310 nan 0.000 0.462 469 N N 0.980 119.794 118.700 0.189 0.000 2.571 469 N HA 0.041 4.796 4.740 0.025 0.000 0.189 469 N C 1.277 176.947 175.510 0.267 0.000 1.154 469 N CA 0.425 53.650 53.050 0.292 0.000 0.907 469 N CB -0.122 38.547 38.487 0.304 0.000 0.977 469 N HN 0.299 nan 8.380 nan 0.000 0.449 470 V N -0.578 119.443 119.914 0.179 0.000 2.500 470 V HA -0.116 4.019 4.120 0.025 0.000 0.243 470 V C 2.251 178.449 176.094 0.173 0.000 1.039 470 V CA 0.782 63.144 62.300 0.102 0.000 1.053 470 V CB -0.352 31.518 31.823 0.079 0.000 0.695 470 V HN 0.313 nan 8.190 nan 0.000 0.463 471 C N -0.640 118.803 119.300 0.238 0.000 2.413 471 C HA -0.220 4.255 4.460 0.025 0.000 0.276 471 C C 2.479 177.649 174.990 0.301 0.000 1.248 471 C CA 1.076 60.259 59.018 0.275 0.000 1.742 471 C CB -1.100 26.760 27.740 0.199 0.000 2.017 471 C HN 0.867 nan 8.230 nan 0.000 0.481 472 W N 1.681 123.047 121.300 0.111 0.000 2.418 472 W HA 0.061 4.736 4.660 0.025 0.000 0.292 472 W C 2.367 178.928 176.519 0.071 0.000 1.213 472 W CA 1.270 58.670 57.345 0.091 0.000 1.283 472 W CB -0.488 29.022 29.460 0.085 0.000 1.119 472 W HN 0.266 nan 8.180 nan 0.000 0.542 473 A N -0.224 122.576 122.820 -0.033 0.000 1.940 473 A HA -0.184 4.151 4.320 0.025 0.000 0.219 473 A C 1.875 179.301 177.584 -0.262 0.000 1.176 473 A CA 1.672 53.537 52.037 -0.287 0.000 0.631 473 A CB -1.307 17.586 19.000 -0.179 0.000 0.814 473 A HN 0.338 nan 8.150 nan 0.000 0.446 474 F N 0.738 120.627 119.950 -0.101 0.000 2.113 474 F HA -0.098 4.444 4.527 0.025 0.000 0.297 474 F C 2.833 178.573 175.800 -0.099 0.000 1.103 474 F CA 1.269 59.229 58.000 -0.066 0.000 1.248 474 F CB -0.719 38.276 39.000 -0.009 0.000 0.999 474 F HN 0.171 nan 8.300 nan 0.000 0.475 475 S N -0.299 115.456 115.700 0.091 0.000 2.359 475 S HA -0.235 4.250 4.470 0.025 0.000 0.222 475 S C 2.251 176.787 174.600 -0.108 0.000 1.038 475 S CA 1.820 60.021 58.200 0.002 0.000 1.051 475 S CB -0.803 62.420 63.200 0.038 0.000 0.944 475 S HN 0.320 nan 8.310 nan 0.000 0.433 476 S N 1.356 116.865 115.700 -0.318 0.000 2.400 476 S HA -0.038 4.447 4.470 0.025 0.000 0.232 476 S C 1.752 176.247 174.600 -0.176 0.000 1.025 476 S CA 0.826 58.834 58.200 -0.320 0.000 0.993 476 S CB -0.391 62.447 63.200 -0.602 0.000 0.808 476 S HN 0.297 nan 8.310 nan 0.000 0.478 477 L N 1.768 122.918 121.223 -0.121 0.000 2.056 477 L HA 0.092 4.448 4.340 0.025 0.000 0.207 477 L C 2.346 179.242 176.870 0.044 0.000 1.078 477 L CA 1.719 56.549 54.840 -0.018 0.000 0.749 477 L CB -1.054 41.033 42.059 0.046 0.000 0.901 477 L HN 0.237 nan 8.230 nan 0.000 0.433 478 A N -1.106 121.750 122.820 0.059 0.000 1.898 478 A HA -0.216 4.119 4.320 0.025 0.000 0.216 478 A C 2.268 179.808 177.584 -0.073 0.000 1.181 478 A CA 1.610 53.660 52.037 0.021 0.000 0.620 478 A CB -0.643 18.379 19.000 0.036 0.000 0.819 478 A HN 0.543 nan 8.150 nan 0.000 0.442 479 E N -0.490 119.672 120.200 -0.064 0.000 2.118 479 E HA -0.152 4.213 4.350 0.025 0.000 0.195 479 E C 2.176 178.765 176.600 -0.017 0.000 0.992 479 E CA 0.963 57.328 56.400 -0.060 0.000 0.804 479 E CB -0.170 29.495 29.700 -0.057 0.000 0.741 479 E HN 0.623 nan 8.360 nan 0.000 0.458 480 A N 0.782 123.587 122.820 -0.025 0.000 1.874 480 A HA 0.076 4.411 4.320 0.025 0.000 0.214 480 A C 2.276 179.866 177.584 0.011 0.000 1.189 480 A CA 1.162 53.193 52.037 -0.010 0.000 0.615 480 A CB -0.388 18.597 19.000 -0.026 0.000 0.830 480 A HN 0.295 nan 8.150 nan 0.000 0.443 481 A N -2.128 120.704 122.820 0.021 0.000 2.172 481 A HA -0.045 4.290 4.320 0.025 0.000 0.216 481 A C 1.909 179.466 177.584 -0.044 0.000 1.154 481 A CA 1.365 53.439 52.037 0.062 0.000 0.701 481 A CB -0.660 18.472 19.000 0.220 0.000 0.789 481 A HN 0.657 nan 8.150 nan 0.000 0.465 482 Y N 0.144 120.281 120.300 -0.273 0.000 2.475 482 Y HA 0.072 4.638 4.550 0.025 0.000 0.289 482 Y C 1.519 177.342 175.900 -0.127 0.000 1.121 482 Y CA 1.471 59.390 58.100 -0.303 0.000 1.257 482 Y CB 0.276 38.547 38.460 -0.316 0.000 1.026 482 Y HN 0.438 nan 8.280 nan 0.000 0.555 483 E N -1.277 118.916 120.200 -0.013 0.000 2.548 483 E HA 0.287 4.652 4.350 0.025 0.000 0.206 483 E C 1.151 177.732 176.600 -0.030 0.000 1.005 483 E CA 0.323 56.704 56.400 -0.032 0.000 0.951 483 E CB 0.653 30.364 29.700 0.019 0.000 1.035 483 E HN 0.341 nan 8.360 nan 0.000 0.470 484 A N 0.375 123.182 122.820 -0.022 0.000 2.343 484 A HA 0.476 4.811 4.320 0.025 0.000 0.223 484 A C 1.766 179.348 177.584 -0.004 0.000 1.214 484 A CA 0.607 52.643 52.037 -0.001 0.000 0.900 484 A CB 0.358 19.374 19.000 0.026 0.000 0.942 484 A HN 0.216 nan 8.150 nan 0.000 0.507 485 A N -0.955 121.845 122.820 -0.034 0.000 2.070 485 A HA 0.234 4.569 4.320 0.025 0.000 0.202 485 A C 0.927 178.452 177.584 -0.098 0.000 1.277 485 A CA 0.759 52.774 52.037 -0.038 0.000 0.872 485 A CB 0.167 19.175 19.000 0.013 0.000 0.933 485 A HN 0.192 nan 8.150 nan 0.000 0.475 486 D N 0.922 121.219 120.400 -0.173 0.000 3.072 486 D HA 0.241 4.897 4.640 0.025 0.000 0.250 486 D C 1.048 177.288 176.300 -0.100 0.000 1.304 486 D CA 0.294 54.187 54.000 -0.178 0.000 0.861 486 D CB 0.190 40.801 40.800 -0.315 0.000 1.062 486 D HN 0.151 nan 8.370 nan 0.000 0.481 487 V N -1.555 118.321 119.914 -0.064 0.000 3.506 487 V HA 0.341 4.476 4.120 0.025 0.000 0.263 487 V C 1.589 177.665 176.094 -0.030 0.000 1.203 487 V CA 0.745 63.022 62.300 -0.038 0.000 1.133 487 V CB 0.018 31.827 31.823 -0.025 0.000 0.802 487 V HN 0.268 nan 8.190 nan 0.000 0.459 488 A N 1.598 124.398 122.820 -0.033 0.000 2.084 488 A HA 0.299 4.634 4.320 0.025 0.000 0.211 488 A C 0.637 178.197 177.584 -0.039 0.000 2.280 488 A CA 0.656 52.664 52.037 -0.048 0.000 1.128 488 A CB -0.029 18.936 19.000 -0.058 0.000 1.248 488 A HN 0.538 nan 8.150 nan 0.000 0.624 489 D N 0.440 120.821 120.400 -0.033 0.000 2.461 489 D HA 0.538 5.193 4.640 0.025 0.000 0.240 489 D C -1.676 174.604 176.300 -0.034 0.000 1.094 489 D CA -0.120 53.861 54.000 -0.032 0.000 0.868 489 D CB 1.443 42.229 40.800 -0.022 0.000 1.062 489 D HN 0.099 nan 8.370 nan 0.000 0.530 490 D N 1.080 121.455 120.400 -0.042 0.000 2.653 490 D HA -0.022 4.633 4.640 0.025 0.000 0.258 490 D C 1.076 177.349 176.300 -0.044 0.000 1.252 490 D CA -0.286 53.690 54.000 -0.040 0.000 0.777 490 D CB 1.984 42.758 40.800 -0.043 0.000 1.339 490 D HN 0.319 nan 8.370 nan 0.000 0.422 491 Q N 0.689 120.470 119.800 -0.033 0.000 2.033 491 Q HA -0.013 4.343 4.340 0.025 0.000 0.196 491 Q C -0.010 175.972 176.000 -0.030 0.000 0.970 491 Q CA 0.994 56.780 55.803 -0.027 0.000 0.828 491 Q CB -0.322 28.407 28.738 -0.016 0.000 0.895 491 Q HN 0.579 nan 8.270 nan 0.000 0.440 492 E N 2.170 122.355 120.200 -0.026 0.000 2.392 492 E HA 0.112 4.477 4.350 0.025 0.000 0.256 492 E C -0.685 175.896 176.600 -0.031 0.000 1.145 492 E CA -0.354 56.039 56.400 -0.011 0.000 0.929 492 E CB 0.205 29.901 29.700 -0.006 0.000 0.998 492 E HN 0.300 nan 8.360 nan 0.000 0.442 493 E N 1.156 121.372 120.200 0.027 0.000 2.734 493 E HA 0.015 4.380 4.350 0.025 0.000 0.235 493 E C -2.254 174.345 176.600 -0.001 0.000 1.107 493 E CA -1.081 55.348 56.400 0.048 0.000 0.951 493 E CB -0.873 28.964 29.700 0.228 0.000 0.955 493 E HN 0.145 nan 8.360 nan 0.000 0.515 494 P HA -0.188 nan 4.420 nan 0.000 0.266 494 P C 0.450 177.758 177.300 0.014 0.000 1.186 494 P CA 0.484 63.559 63.100 -0.041 0.000 0.767 494 P CB 0.757 32.424 31.700 -0.056 0.000 0.820 495 A N 2.392 125.206 122.820 -0.010 0.000 1.902 495 A HA -0.081 4.254 4.320 0.025 0.000 0.217 495 A C 1.267 178.824 177.584 -0.044 0.000 1.181 495 A CA 2.195 54.218 52.037 -0.022 0.000 0.623 495 A CB -0.796 18.186 19.000 -0.031 0.000 0.818 495 A HN 0.558 nan 8.150 nan 0.000 0.443 496 T N -0.321 114.208 114.554 -0.042 0.000 3.077 496 T HA 0.504 4.870 4.350 0.025 0.000 0.359 496 T C -0.681 173.992 174.700 -0.047 0.000 1.108 496 T CA -0.801 61.242 62.100 -0.096 0.000 1.170 496 T CB -0.303 68.515 68.868 -0.083 0.000 1.045 496 T HN 0.417 nan 8.240 nan 0.000 0.505 497 Y N 2.092 122.366 120.300 -0.044 0.000 2.307 497 Y HA 0.497 5.062 4.550 0.026 0.000 0.324 497 Y C 2.015 177.918 175.900 0.005 0.000 1.238 497 Y CA -0.979 57.106 58.100 -0.025 0.000 1.280 497 Y CB -0.046 38.407 38.460 -0.012 0.000 1.248 497 Y HN 0.526 nan 8.280 nan 0.000 0.508 498 C N 3.373 122.766 119.300 0.154 0.000 2.269 498 C HA -0.355 4.120 4.460 0.025 0.000 0.264 498 C C 2.307 177.280 174.990 -0.028 0.000 1.112 498 C CA 2.300 61.365 59.018 0.079 0.000 1.805 498 C CB -1.512 26.323 27.740 0.157 0.000 1.958 498 C HN 1.002 nan 8.230 nan 0.000 0.418 499 L N 1.520 122.774 121.223 0.053 0.000 2.349 499 L HA -0.091 4.264 4.340 0.025 0.000 0.220 499 L C 2.642 179.421 176.870 -0.153 0.000 1.130 499 L CA 1.585 56.461 54.840 0.060 0.000 0.791 499 L CB -0.697 41.608 42.059 0.409 0.000 0.918 499 L HN 0.453 nan 8.230 nan 0.000 0.444 500 S N -0.817 114.523 115.700 -0.600 0.000 2.465 500 S HA -0.197 4.288 4.470 0.025 0.000 0.241 500 S C 2.196 176.716 174.600 -0.133 0.000 1.000 500 S CA 1.502 59.411 58.200 -0.484 0.000 0.964 500 S CB -0.181 62.646 63.200 -0.622 0.000 0.763 500 S HN 0.479 nan 8.310 nan 0.000 0.512 501 S N 0.910 116.563 115.700 -0.078 0.000 2.406 501 S HA 0.027 4.512 4.470 0.025 0.000 0.224 501 S C 1.570 176.194 174.600 0.040 0.000 1.030 501 S CA 0.934 59.127 58.200 -0.012 0.000 0.958 501 S CB -0.022 63.170 63.200 -0.013 0.000 0.811 501 S HN 0.526 nan 8.310 nan 0.000 0.489 502 S N 0.560 116.299 115.700 0.065 0.000 2.559 502 S HA 0.236 4.722 4.470 0.025 0.000 0.226 502 S C 1.009 175.655 174.600 0.078 0.000 1.000 502 S CA -0.386 57.855 58.200 0.069 0.000 0.948 502 S CB -0.271 62.974 63.200 0.075 0.000 0.870 502 S HN 0.643 nan 8.310 nan 0.000 0.497 503 F N 3.532 123.449 119.950 -0.055 0.000 2.161 503 F HA -0.145 4.397 4.527 0.025 0.000 0.300 503 F C 2.165 177.927 175.800 -0.063 0.000 1.089 503 F CA 1.803 59.766 58.000 -0.062 0.000 1.282 503 F CB -0.124 38.825 39.000 -0.085 0.000 1.010 503 F HN 0.178 nan 8.300 nan 0.000 0.485 504 E N 0.798 120.909 120.200 -0.147 0.000 2.153 504 E HA -0.220 4.145 4.350 0.025 0.000 0.194 504 E C 1.935 178.356 176.600 -0.297 0.000 0.988 504 E CA 1.506 57.736 56.400 -0.283 0.000 0.811 504 E CB -0.560 29.133 29.700 -0.013 0.000 0.746 504 E HN 0.511 nan 8.360 nan 0.000 0.466 505 L N 0.028 121.135 121.223 -0.193 0.000 2.131 505 L HA 0.062 4.417 4.340 0.025 0.000 0.206 505 L C 1.998 178.740 176.870 -0.214 0.000 1.087 505 L CA 1.327 56.076 54.840 -0.151 0.000 0.767 505 L CB -0.357 41.661 42.059 -0.069 0.000 0.917 505 L HN 0.225 nan 8.230 nan 0.000 0.441 506 I N -1.113 119.282 120.570 -0.293 0.000 2.127 506 I HA -0.286 3.899 4.170 0.025 0.000 0.241 506 I C 2.262 178.135 176.117 -0.406 0.000 1.075 506 I CA 1.617 62.676 61.300 -0.402 0.000 1.334 506 I CB -0.600 37.081 38.000 -0.532 0.000 1.040 506 I HN 0.083 nan 8.210 nan 0.000 0.405 507 V N 1.176 120.793 119.914 -0.494 0.000 2.515 507 V HA -0.256 3.879 4.120 0.025 0.000 0.250 507 V C 2.307 178.236 176.094 -0.276 0.000 1.058 507 V CA 1.999 64.057 62.300 -0.403 0.000 1.064 507 V CB -1.178 30.329 31.823 -0.527 0.000 0.675 507 V HN 0.637 nan 8.190 nan 0.000 0.461 508 Q N 0.490 120.135 119.800 -0.260 0.000 2.403 508 Q HA -0.032 4.323 4.340 0.025 0.000 0.203 508 Q C 1.808 177.726 176.000 -0.137 0.000 0.932 508 Q CA 0.846 56.546 55.803 -0.171 0.000 0.945 508 Q CB -0.008 28.643 28.738 -0.145 0.000 1.045 508 Q HN 0.460 nan 8.270 nan 0.000 0.511 509 K N 0.405 120.711 120.400 -0.155 0.000 2.367 509 K HA 0.266 4.601 4.320 0.025 0.000 0.195 509 K C 1.335 177.868 176.600 -0.112 0.000 1.060 509 K CA 0.223 56.444 56.287 -0.110 0.000 1.022 509 K CB 0.248 32.696 32.500 -0.087 0.000 0.894 509 K HN 0.282 nan 8.250 nan 0.000 0.540 510 L N 0.556 121.685 121.223 -0.156 0.000 2.313 510 L HA 0.063 4.419 4.340 0.025 0.000 0.214 510 L C 1.568 178.339 176.870 -0.166 0.000 1.119 510 L CA 0.511 55.261 54.840 -0.150 0.000 0.809 510 L CB -0.110 41.845 42.059 -0.174 0.000 0.933 510 L HN 0.124 nan 8.230 nan 0.000 0.449 511 L N -0.742 120.389 121.223 -0.154 0.000 2.217 511 L HA -0.122 4.233 4.340 0.025 0.000 0.211 511 L C 2.278 179.067 176.870 -0.135 0.000 1.107 511 L CA 0.936 55.684 54.840 -0.154 0.000 0.783 511 L CB -0.296 41.695 42.059 -0.114 0.000 0.919 511 L HN 0.302 nan 8.230 nan 0.000 0.442 512 E N -0.411 119.727 120.200 -0.104 0.000 2.076 512 E HA -0.112 4.253 4.350 0.025 0.000 0.190 512 E C 2.072 178.626 176.600 -0.077 0.000 0.979 512 E CA 1.470 57.825 56.400 -0.076 0.000 0.807 512 E CB -0.193 29.476 29.700 -0.053 0.000 0.761 512 E HN 0.351 nan 8.360 nan 0.000 0.454 513 T N 0.663 115.170 114.554 -0.080 0.000 2.720 513 T HA -0.185 4.180 4.350 0.025 0.000 0.268 513 T C 2.089 176.728 174.700 -0.101 0.000 1.037 513 T CA 1.836 63.898 62.100 -0.063 0.000 1.144 513 T CB -0.432 68.412 68.868 -0.041 0.000 0.864 513 T HN 0.187 nan 8.240 nan 0.000 0.444 514 T N 0.564 115.002 114.554 -0.195 0.000 3.035 514 T HA -0.068 4.297 4.350 0.025 0.000 0.268 514 T C 1.101 175.668 174.700 -0.221 0.000 1.109 514 T CA 0.721 62.629 62.100 -0.320 0.000 1.119 514 T CB -0.270 68.151 68.868 -0.746 0.000 0.900 514 T HN 0.136 nan 8.240 nan 0.000 0.503 515 D N 0.830 121.145 120.400 -0.141 0.000 2.559 515 D HA 0.197 4.853 4.640 0.025 0.000 0.234 515 D C 0.165 176.445 176.300 -0.032 0.000 1.226 515 D CA -0.218 53.739 54.000 -0.071 0.000 0.830 515 D CB 0.140 40.902 40.800 -0.063 0.000 1.028 515 D HN 0.388 nan 8.370 nan 0.000 0.492 516 R N 0.405 120.889 120.500 -0.027 0.000 2.490 516 R HA 0.241 4.597 4.340 0.025 0.000 0.278 516 R C -1.323 174.987 176.300 0.016 0.000 1.069 516 R CA -1.265 54.832 56.100 -0.004 0.000 1.080 516 R CB 0.658 30.957 30.300 -0.001 0.000 1.030 516 R HN -0.067 nan 8.270 nan 0.000 0.491 517 P HA -0.154 nan 4.420 nan 0.000 0.215 517 P C -0.256 177.071 177.300 0.044 0.000 1.153 517 P CA 1.268 64.388 63.100 0.033 0.000 0.853 517 P CB 0.075 31.791 31.700 0.027 0.000 0.788 518 D N -0.847 119.577 120.400 0.041 0.000 2.896 518 D HA 0.153 4.808 4.640 0.025 0.000 0.240 518 D C 1.313 177.650 176.300 0.062 0.000 1.193 518 D CA -0.415 53.617 54.000 0.053 0.000 0.983 518 D CB -0.783 40.043 40.800 0.043 0.000 1.074 518 D HN 0.081 nan 8.370 nan 0.000 0.496 519 G N -0.386 108.461 108.800 0.077 0.000 2.539 519 G HA2 -0.198 3.777 3.960 0.025 0.000 0.215 519 G HA3 -0.198 3.777 3.960 0.025 0.000 0.215 519 G C 1.276 176.230 174.900 0.090 0.000 1.141 519 G CA -0.098 45.045 45.100 0.073 0.000 0.806 519 G HN 0.482 nan 8.290 nan 0.000 0.533 520 H N 0.102 119.193 119.070 0.035 0.000 2.502 520 H HA 0.234 4.805 4.556 0.025 0.000 0.283 520 H C 1.074 176.421 175.328 0.031 0.000 1.015 520 H CA 0.240 56.309 56.048 0.035 0.000 1.298 520 H CB 0.175 29.958 29.762 0.035 0.000 1.411 520 H HN 0.276 nan 8.280 nan 0.000 0.556 521 Q N 0.950 120.816 119.800 0.111 0.000 2.297 521 Q HA 0.033 4.388 4.340 0.025 0.000 0.267 521 Q C 0.058 176.071 176.000 0.022 0.000 1.006 521 Q CA 0.125 55.969 55.803 0.069 0.000 0.896 521 Q CB 0.461 29.239 28.738 0.067 0.000 1.186 521 Q HN 0.506 nan 8.270 nan 0.000 0.392 522 N N 2.503 121.207 118.700 0.008 0.000 2.753 522 N HA -0.304 4.452 4.740 0.025 0.000 0.251 522 N C -0.413 175.085 175.510 -0.019 0.000 1.097 522 N CA 1.031 54.081 53.050 -0.001 0.000 0.786 522 N CB -1.253 37.245 38.487 0.019 0.000 1.137 522 N HN 1.101 nan 8.380 nan 0.000 0.566 523 N N -0.693 117.970 118.700 -0.061 0.000 2.721 523 N HA -0.233 4.522 4.740 0.025 0.000 0.249 523 N C 0.781 176.282 175.510 -0.015 0.000 1.072 523 N CA 0.787 53.794 53.050 -0.072 0.000 0.710 523 N CB -0.996 37.453 38.487 -0.064 0.000 0.993 523 N HN 0.401 nan 8.380 nan 0.000 0.547 524 L N 0.318 121.543 121.223 0.002 0.000 2.005 524 L HA -0.110 4.245 4.340 0.025 0.000 0.207 524 L C 2.514 179.398 176.870 0.023 0.000 1.072 524 L CA 2.352 57.207 54.840 0.025 0.000 0.744 524 L CB -1.072 41.005 42.059 0.030 0.000 0.895 524 L HN 0.642 nan 8.230 nan 0.000 0.433 525 R N -0.280 120.232 120.500 0.020 0.000 2.094 525 R HA -0.183 4.172 4.340 0.025 0.000 0.239 525 R C 2.219 178.564 176.300 0.075 0.000 1.137 525 R CA 2.279 58.394 56.100 0.026 0.000 0.943 525 R CB -0.176 30.162 30.300 0.062 0.000 0.850 525 R HN 0.436 nan 8.270 nan 0.000 0.433 526 S N 0.348 116.096 115.700 0.080 0.000 2.359 526 S HA -0.114 4.371 4.470 0.025 0.000 0.224 526 S C 1.945 176.607 174.600 0.103 0.000 1.035 526 S CA 1.722 59.985 58.200 0.104 0.000 1.018 526 S CB -0.178 63.041 63.200 0.031 0.000 0.876 526 S HN 0.386 nan 8.310 nan 0.000 0.448 527 S N 1.326 117.067 115.700 0.069 0.000 2.474 527 S HA 0.114 4.599 4.470 0.025 0.000 0.235 527 S C 1.993 176.644 174.600 0.085 0.000 0.997 527 S CA 0.684 58.935 58.200 0.084 0.000 0.949 527 S CB -0.294 62.957 63.200 0.085 0.000 0.766 527 S HN 0.596 nan 8.310 nan 0.000 0.517 528 A N 0.368 123.214 122.820 0.043 0.000 1.878 528 A HA 0.097 4.432 4.320 0.025 0.000 0.213 528 A C 1.705 179.263 177.584 -0.043 0.000 1.192 528 A CA 0.701 52.721 52.037 -0.028 0.000 0.619 528 A CB -0.827 18.100 19.000 -0.121 0.000 0.837 528 A HN 0.456 nan 8.150 nan 0.000 0.446 529 Y N 0.374 120.677 120.300 0.005 0.000 2.403 529 Y HA -0.141 4.424 4.550 0.025 0.000 0.291 529 Y C 2.414 178.316 175.900 0.005 0.000 1.143 529 Y CA 1.595 59.692 58.100 -0.005 0.000 1.257 529 Y CB -0.138 38.314 38.460 -0.014 0.000 0.984 529 Y HN 0.553 nan 8.280 nan 0.000 0.550 530 E N -0.618 119.678 120.200 0.160 0.000 2.042 530 E HA -0.130 4.235 4.350 0.025 0.000 0.189 530 E C 2.447 179.106 176.600 0.099 0.000 0.974 530 E CA 1.475 57.945 56.400 0.117 0.000 0.806 530 E CB -0.620 29.145 29.700 0.109 0.000 0.769 530 E HN 0.063 nan 8.360 nan 0.000 0.451 531 S N -0.523 115.237 115.700 0.100 0.000 2.440 531 S HA -0.097 4.388 4.470 0.025 0.000 0.238 531 S C 1.878 176.502 174.600 0.040 0.000 1.010 531 S CA 1.090 59.344 58.200 0.091 0.000 0.972 531 S CB -0.403 62.866 63.200 0.115 0.000 0.774 531 S HN 0.409 nan 8.310 nan 0.000 0.501 532 L N 1.390 122.629 121.223 0.027 0.000 2.007 532 L HA -0.049 4.307 4.340 0.025 0.000 0.205 532 L C 2.607 179.495 176.870 0.030 0.000 1.073 532 L CA 1.963 56.806 54.840 0.006 0.000 0.744 532 L CB -0.474 41.587 42.059 0.003 0.000 0.898 532 L HN 0.544 nan 8.230 nan 0.000 0.435 533 M N -1.674 117.957 119.600 0.051 0.000 2.267 533 M HA -0.206 4.290 4.480 0.025 0.000 0.263 533 M C 1.816 178.128 176.300 0.020 0.000 1.063 533 M CA 2.063 57.386 55.300 0.039 0.000 1.090 533 M CB -0.618 32.007 32.600 0.043 0.000 1.392 533 M HN 0.182 nan 8.290 nan 0.000 0.422 534 E N 1.296 121.511 120.200 0.025 0.000 2.122 534 E HA 0.058 4.423 4.350 0.025 0.000 0.190 534 E C 1.848 178.439 176.600 -0.015 0.000 0.977 534 E CA 0.956 57.359 56.400 0.005 0.000 0.820 534 E CB -0.253 29.468 29.700 0.035 0.000 0.770 534 E HN 0.650 nan 8.360 nan 0.000 0.462 535 I N -0.194 120.384 120.570 0.013 0.000 2.454 535 I HA -0.208 3.977 4.170 0.025 0.000 0.254 535 I C 1.634 177.793 176.117 0.069 0.000 1.156 535 I CA 0.445 61.766 61.300 0.035 0.000 1.433 535 I CB 0.180 38.194 38.000 0.024 0.000 1.082 535 I HN 0.075 nan 8.210 nan 0.000 0.432 536 V N 0.724 120.669 119.914 0.051 0.000 2.323 536 V HA -0.279 3.856 4.120 0.025 0.000 0.244 536 V C 2.453 178.541 176.094 -0.010 0.000 1.041 536 V CA 1.812 64.154 62.300 0.069 0.000 1.025 536 V CB -0.684 31.174 31.823 0.058 0.000 0.656 536 V HN 0.424 nan 8.190 nan 0.000 0.451 537 K N 0.896 121.248 120.400 -0.080 0.000 2.020 537 K HA -0.222 4.113 4.320 0.025 0.000 0.212 537 K C 1.103 177.442 176.600 -0.434 0.000 1.050 537 K CA 2.006 58.177 56.287 -0.193 0.000 0.929 537 K CB -0.314 32.071 32.500 -0.190 0.000 0.714 537 K HN 0.466 nan 8.250 nan 0.000 0.443 538 N N 2.108 120.537 118.700 -0.452 0.000 2.878 538 N HA -0.019 4.736 4.740 0.025 0.000 0.282 538 N C -0.392 174.941 175.510 -0.296 0.000 1.284 538 N CA 0.187 52.816 53.050 -0.701 0.000 1.053 538 N CB 0.509 38.728 38.487 -0.447 0.000 1.382 538 N HN 0.289 nan 8.380 nan 0.000 0.529 539 S N -0.723 114.961 115.700 -0.026 0.000 2.758 539 S HA 0.811 5.296 4.470 0.025 0.000 0.292 539 S C -0.018 174.881 174.600 0.497 0.000 1.131 539 S CA -0.818 57.577 58.200 0.325 0.000 0.997 539 S CB 2.293 65.589 63.200 0.160 0.000 1.111 539 S HN 0.179 nan 8.310 nan 0.000 0.552 540 A N 0.333 123.388 122.820 0.392 0.000 2.322 540 A HA 0.682 5.017 4.320 0.025 0.000 0.327 540 A C 0.586 178.204 177.584 0.057 0.000 1.134 540 A CA -0.760 51.414 52.037 0.229 0.000 0.831 540 A CB 0.972 20.010 19.000 0.064 0.000 1.288 540 A HN 1.005 nan 8.150 nan 0.000 0.472 541 K N -0.347 120.080 120.400 0.045 0.000 2.525 541 K HA -0.012 4.323 4.320 0.025 0.000 0.192 541 K C 0.048 176.644 176.600 -0.007 0.000 1.029 541 K CA 1.656 57.954 56.287 0.018 0.000 1.029 541 K CB 0.065 32.563 32.500 -0.003 0.000 0.814 541 K HN 0.572 nan 8.250 nan 0.000 0.503 542 D N -1.003 119.374 120.400 -0.039 0.000 2.395 542 D HA 0.015 4.670 4.640 0.025 0.000 0.213 542 D C 0.013 176.256 176.300 -0.095 0.000 1.110 542 D CA -0.459 53.516 54.000 -0.042 0.000 0.835 542 D CB -0.550 40.217 40.800 -0.056 0.000 0.965 542 D HN 0.218 nan 8.370 nan 0.000 0.505 543 C N 0.674 119.863 119.300 -0.185 0.000 2.480 543 C HA 0.227 4.702 4.460 0.025 0.000 0.317 543 C C 1.253 176.189 174.990 -0.090 0.000 1.300 543 C CA -0.638 58.113 59.018 -0.445 0.000 1.706 543 C CB -2.451 24.701 27.740 -0.979 0.000 1.840 543 C HN 0.328 nan 8.230 nan 0.000 0.596 544 Y N 3.115 123.372 120.300 -0.073 0.000 2.439 544 Y HA 0.015 4.581 4.550 0.025 0.000 0.292 544 Y C -0.429 175.501 175.900 0.051 0.000 1.130 544 Y CA 0.729 58.831 58.100 0.005 0.000 1.254 544 Y CB -0.997 37.465 38.460 0.002 0.000 1.000 544 Y HN 0.306 nan 8.280 nan 0.000 0.554 545 P HA -0.255 nan 4.420 nan 0.000 0.213 545 P C 1.363 178.676 177.300 0.022 0.000 1.170 545 P CA 2.667 65.798 63.100 0.052 0.000 0.902 545 P CB -0.212 31.553 31.700 0.109 0.000 0.789 546 A N -0.610 122.307 122.820 0.162 0.000 1.970 546 A HA -0.057 4.278 4.320 0.025 0.000 0.216 546 A C 2.460 180.076 177.584 0.053 0.000 1.170 546 A CA 1.187 53.295 52.037 0.118 0.000 0.645 546 A CB -1.580 17.501 19.000 0.136 0.000 0.816 546 A HN 0.096 nan 8.150 nan 0.000 0.447 547 V N 0.111 120.069 119.914 0.073 0.000 2.469 547 V HA -0.329 3.807 4.120 0.025 0.000 0.251 547 V C 2.413 178.423 176.094 -0.140 0.000 1.064 547 V CA 2.612 64.906 62.300 -0.010 0.000 1.066 547 V CB -0.577 31.241 31.823 -0.007 0.000 0.667 547 V HN 0.701 nan 8.190 nan 0.000 0.461 548 Q N -0.440 119.199 119.800 -0.269 0.000 1.965 548 Q HA -0.234 4.121 4.340 0.025 0.000 0.200 548 Q C 2.418 178.347 176.000 -0.119 0.000 0.981 548 Q CA 2.005 57.660 55.803 -0.247 0.000 0.834 548 Q CB -0.349 28.205 28.738 -0.307 0.000 0.900 548 Q HN 0.565 nan 8.270 nan 0.000 0.426 549 K N 0.119 120.464 120.400 -0.091 0.000 2.044 549 K HA -0.183 4.152 4.320 0.025 0.000 0.210 549 K C 2.052 178.622 176.600 -0.050 0.000 1.049 549 K CA 1.863 58.114 56.287 -0.059 0.000 0.927 549 K CB -0.099 32.371 32.500 -0.049 0.000 0.713 549 K HN 0.169 nan 8.250 nan 0.000 0.443 550 T N 0.380 114.904 114.554 -0.050 0.000 2.720 550 T HA -0.133 4.232 4.350 0.025 0.000 0.268 550 T C 1.791 176.476 174.700 -0.026 0.000 1.037 550 T CA 1.920 63.996 62.100 -0.039 0.000 1.144 550 T CB -0.430 68.419 68.868 -0.032 0.000 0.864 550 T HN 0.381 nan 8.240 nan 0.000 0.444 551 T N 2.199 116.733 114.554 -0.033 0.000 2.674 551 T HA -0.009 4.356 4.350 0.025 0.000 0.265 551 T C 1.928 176.613 174.700 -0.024 0.000 1.039 551 T CA 0.989 63.073 62.100 -0.025 0.000 1.150 551 T CB -0.466 68.380 68.868 -0.036 0.000 0.864 551 T HN 0.166 nan 8.240 nan 0.000 0.427 552 L N 0.715 121.920 121.223 -0.031 0.000 2.131 552 L HA -0.044 4.311 4.340 0.025 0.000 0.210 552 L C 2.547 179.406 176.870 -0.018 0.000 1.092 552 L CA 0.781 55.606 54.840 -0.024 0.000 0.759 552 L CB -0.689 41.354 42.059 -0.026 0.000 0.903 552 L HN 0.115 nan 8.230 nan 0.000 0.435 553 V N -0.231 119.671 119.914 -0.020 0.000 2.295 553 V HA -0.291 3.844 4.120 0.025 0.000 0.246 553 V C 2.304 178.398 176.094 0.000 0.000 1.049 553 V CA 1.924 64.215 62.300 -0.014 0.000 1.024 553 V CB -0.308 31.501 31.823 -0.024 0.000 0.648 553 V HN 0.326 nan 8.190 nan 0.000 0.447 554 I N -0.983 119.591 120.570 0.008 0.000 2.226 554 I HA -0.328 3.857 4.170 0.025 0.000 0.245 554 I C 2.544 178.663 176.117 0.004 0.000 1.100 554 I CA 1.838 63.154 61.300 0.026 0.000 1.374 554 I CB -0.341 37.677 38.000 0.029 0.000 1.057 554 I HN 0.291 nan 8.210 nan 0.000 0.413 555 M N 0.138 119.732 119.600 -0.009 0.000 2.065 555 M HA -0.284 4.211 4.480 0.025 0.000 0.259 555 M C 2.353 178.645 176.300 -0.014 0.000 1.069 555 M CA 1.931 57.220 55.300 -0.018 0.000 1.110 555 M CB -0.473 32.114 32.600 -0.021 0.000 1.328 555 M HN 0.198 nan 8.290 nan 0.000 0.405 556 E N 0.062 120.257 120.200 -0.009 0.000 2.171 556 E HA -0.227 4.138 4.350 0.025 0.000 0.197 556 E C 1.998 178.596 176.600 -0.003 0.000 0.997 556 E CA 1.234 57.631 56.400 -0.005 0.000 0.810 556 E CB 0.126 29.823 29.700 -0.004 0.000 0.738 556 E HN 0.416 nan 8.360 nan 0.000 0.467 557 R N -0.257 120.243 120.500 0.000 0.000 2.093 557 R HA -0.088 4.267 4.340 0.025 0.000 0.224 557 R C 2.434 178.721 176.300 -0.022 0.000 1.101 557 R CA 0.731 56.831 56.100 -0.001 0.000 0.979 557 R CB -0.230 30.088 30.300 0.030 0.000 0.877 557 R HN 0.205 nan 8.270 nan 0.000 0.441 558 L N 1.438 122.644 121.223 -0.027 0.000 2.005 558 L HA -0.162 4.193 4.340 0.025 0.000 0.207 558 L C 2.128 178.978 176.870 -0.033 0.000 1.072 558 L CA 1.805 56.619 54.840 -0.044 0.000 0.744 558 L CB -0.574 41.456 42.059 -0.049 0.000 0.895 558 L HN 0.051 nan 8.230 nan 0.000 0.433 559 Q N -0.192 119.593 119.800 -0.025 0.000 2.077 559 Q HA -0.326 4.030 4.340 0.025 0.000 0.206 559 Q C 2.168 178.166 176.000 -0.004 0.000 0.989 559 Q CA 2.234 58.026 55.803 -0.018 0.000 0.853 559 Q CB -0.874 27.855 28.738 -0.014 0.000 0.907 559 Q HN 0.741 nan 8.270 nan 0.000 0.418 560 Q N 0.524 120.326 119.800 0.003 0.000 2.135 560 Q HA -0.138 4.217 4.340 0.025 0.000 0.204 560 Q C 2.068 178.091 176.000 0.039 0.000 0.981 560 Q CA 1.564 57.380 55.803 0.022 0.000 0.856 560 Q CB 0.178 28.929 28.738 0.022 0.000 0.902 560 Q HN 0.240 nan 8.270 nan 0.000 0.425 561 V N 0.892 120.813 119.914 0.012 0.000 2.379 561 V HA -0.193 3.942 4.120 0.025 0.000 0.245 561 V C 1.875 177.997 176.094 0.048 0.000 1.044 561 V CA 1.146 63.460 62.300 0.023 0.000 1.036 561 V CB -0.269 31.517 31.823 -0.061 0.000 0.664 561 V HN 0.376 nan 8.190 nan 0.000 0.453 562 L N 1.073 122.303 121.223 0.011 0.000 2.801 562 L HA 0.010 4.365 4.340 0.025 0.000 0.250 562 L C 1.721 178.585 176.870 -0.009 0.000 1.222 562 L CA 0.389 55.229 54.840 -0.001 0.000 1.054 562 L CB -0.521 41.527 42.059 -0.019 0.000 1.330 562 L HN 0.561 nan 8.230 nan 0.000 0.426 563 Q N -2.219 117.588 119.800 0.012 0.000 2.313 563 Q HA 0.113 4.468 4.340 0.025 0.000 0.263 563 Q C 1.611 177.614 176.000 0.006 0.000 0.820 563 Q CA 0.109 55.911 55.803 -0.002 0.000 0.974 563 Q CB -0.009 28.747 28.738 0.029 0.000 1.156 563 Q HN 0.316 nan 8.270 nan 0.000 0.517 564 M N 0.725 120.362 119.600 0.062 0.000 2.558 564 M HA 0.153 4.649 4.480 0.025 0.000 0.255 564 M C 0.864 177.179 176.300 0.026 0.000 1.113 564 M CA 1.080 56.424 55.300 0.073 0.000 1.097 564 M CB 0.239 32.917 32.600 0.129 0.000 1.426 564 M HN 0.183 nan 8.290 nan 0.000 0.488 565 E N -0.463 119.740 120.200 0.004 0.000 2.474 565 E HA 0.093 4.458 4.350 0.025 0.000 0.195 565 E C 1.546 178.084 176.600 -0.102 0.000 1.039 565 E CA 0.031 56.421 56.400 -0.016 0.000 0.881 565 E CB 0.228 29.941 29.700 0.022 0.000 0.970 565 E HN 0.340 nan 8.360 nan 0.000 0.486 566 S N 0.091 115.649 115.700 -0.237 0.000 2.436 566 S HA -0.039 4.446 4.470 0.025 0.000 0.228 566 S C 0.186 174.474 174.600 -0.520 0.000 1.014 566 S CA 0.696 58.641 58.200 -0.424 0.000 0.950 566 S CB -0.041 62.785 63.200 -0.623 0.000 0.784 566 S HN 0.384 nan 8.310 nan 0.000 0.504 567 H N 0.115 119.187 119.070 0.003 0.000 2.448 567 H HA 0.437 5.008 4.556 0.025 0.000 0.237 567 H C -0.709 174.608 175.328 -0.019 0.000 1.391 567 H CA -0.520 55.523 56.048 -0.007 0.000 1.477 567 H CB 0.081 29.838 29.762 -0.008 0.000 1.520 567 H HN 0.156 nan 8.280 nan 0.000 0.502 568 I N 1.453 122.048 120.570 0.043 0.000 2.720 568 I HA 0.026 4.211 4.170 0.025 0.000 0.287 568 I C 0.505 176.622 176.117 -0.001 0.000 1.090 568 I CA -0.274 61.029 61.300 0.005 0.000 1.384 568 I CB 0.988 38.985 38.000 -0.005 0.000 1.420 568 I HN 0.483 nan 8.210 nan 0.000 0.575 569 Q N 2.953 122.732 119.800 -0.034 0.000 3.073 569 Q HA 0.284 4.639 4.340 0.025 0.000 0.219 569 Q C 0.642 176.622 176.000 -0.033 0.000 1.167 569 Q CA -0.312 55.468 55.803 -0.039 0.000 0.334 569 Q CB -0.180 28.517 28.738 -0.068 0.000 5.769 569 Q HN 0.818 nan 8.270 nan 0.000 0.319 570 S N -1.218 114.458 115.700 -0.041 0.000 2.546 570 S HA 0.116 4.601 4.470 0.025 0.000 0.265 570 S C 1.184 175.769 174.600 -0.025 0.000 1.190 570 S CA 0.109 58.292 58.200 -0.029 0.000 1.014 570 S CB -0.120 63.063 63.200 -0.028 0.000 1.087 570 S HN 0.443 nan 8.310 nan 0.000 0.525 571 T N 0.318 114.862 114.554 -0.016 0.000 2.995 571 T HA -0.000 4.365 4.350 0.025 0.000 0.269 571 T C 1.544 176.242 174.700 -0.004 0.000 1.091 571 T CA 1.331 63.427 62.100 -0.007 0.000 1.128 571 T CB -0.768 68.098 68.868 -0.003 0.000 0.891 571 T HN 0.580 nan 8.240 nan 0.000 0.492 572 S N 0.384 116.073 115.700 -0.018 0.000 2.851 572 S HA 0.031 4.516 4.470 0.025 0.000 0.227 572 S C 0.118 174.689 174.600 -0.048 0.000 0.958 572 S CA 0.502 58.691 58.200 -0.019 0.000 0.990 572 S CB -0.429 62.752 63.200 -0.032 0.000 0.790 572 S HN 0.609 nan 8.310 nan 0.000 0.509 573 D N -1.344 119.029 120.400 -0.044 0.000 2.337 573 D HA 0.203 4.858 4.640 0.025 0.000 0.349 573 D C 1.593 177.887 176.300 -0.011 0.000 1.123 573 D CA -0.449 53.491 54.000 -0.101 0.000 0.887 573 D CB 0.224 40.937 40.800 -0.145 0.000 1.396 573 D HN -0.026 nan 8.370 nan 0.000 0.510 574 R N 0.440 120.950 120.500 0.016 0.000 1.852 574 R HA 0.291 4.646 4.340 0.025 0.000 0.161 574 R C 1.549 177.883 176.300 0.057 0.000 1.756 574 R CA 0.048 56.165 56.100 0.029 0.000 1.480 574 R CB -0.779 29.527 30.300 0.009 0.000 0.995 574 R HN -0.002 nan 8.270 nan 0.000 0.490 575 I N 2.141 122.736 120.570 0.041 0.000 2.700 575 I HA -0.193 3.992 4.170 0.025 0.000 0.261 575 I C 2.341 178.505 176.117 0.079 0.000 1.219 575 I CA 0.997 62.324 61.300 0.046 0.000 1.463 575 I CB -0.456 37.561 38.000 0.029 0.000 1.092 575 I HN 0.302 nan 8.210 nan 0.000 0.452 576 Q N -0.009 119.851 119.800 0.099 0.000 2.084 576 Q HA -0.184 4.171 4.340 0.025 0.000 0.202 576 Q C 2.096 178.251 176.000 0.258 0.000 0.978 576 Q CA 2.031 57.922 55.803 0.146 0.000 0.844 576 Q CB -0.361 28.449 28.738 0.119 0.000 0.898 576 Q HN 0.528 nan 8.270 nan 0.000 0.426 577 F N -0.810 119.144 119.950 0.007 0.000 2.582 577 F HA 0.200 4.742 4.527 0.025 0.000 0.290 577 F C 1.826 177.623 175.800 -0.004 0.000 1.115 577 F CA -0.001 58.002 58.000 0.006 0.000 1.445 577 F CB 0.204 39.206 39.000 0.004 0.000 1.126 577 F HN 0.167 nan 8.300 nan 0.000 0.574 578 N N 0.277 119.051 118.700 0.124 0.000 2.571 578 N HA -0.154 4.601 4.740 0.025 0.000 0.189 578 N C 0.930 176.427 175.510 -0.022 0.000 1.154 578 N CA 0.300 53.367 53.050 0.029 0.000 0.907 578 N CB 0.032 38.538 38.487 0.031 0.000 0.977 578 N HN 0.232 nan 8.380 nan 0.000 0.449 579 D N 0.950 121.345 120.400 -0.008 0.000 2.077 579 D HA -0.142 4.514 4.640 0.025 0.000 0.193 579 D C 1.979 178.219 176.300 -0.101 0.000 0.989 579 D CA 0.903 54.888 54.000 -0.025 0.000 0.831 579 D CB -0.320 40.499 40.800 0.032 0.000 0.979 579 D HN 0.219 nan 8.370 nan 0.000 0.449 580 L N 0.833 121.973 121.223 -0.138 0.000 2.079 580 L HA -0.198 4.157 4.340 0.025 0.000 0.210 580 L C 2.522 179.191 176.870 -0.335 0.000 1.081 580 L CA 1.161 55.862 54.840 -0.232 0.000 0.752 580 L CB -0.349 41.595 42.059 -0.191 0.000 0.896 580 L HN 0.023 nan 8.230 nan 0.000 0.433 581 Q N -0.561 119.106 119.800 -0.222 0.000 2.050 581 Q HA -0.216 4.139 4.340 0.025 0.000 0.202 581 Q C 2.485 178.377 176.000 -0.181 0.000 0.980 581 Q CA 2.075 57.769 55.803 -0.182 0.000 0.840 581 Q CB -0.297 28.379 28.738 -0.102 0.000 0.898 581 Q HN 0.458 nan 8.270 nan 0.000 0.424 582 S N 0.137 115.752 115.700 -0.143 0.000 2.374 582 S HA -0.129 4.356 4.470 0.025 0.000 0.227 582 S C 2.080 176.582 174.600 -0.163 0.000 1.037 582 S CA 1.277 59.408 58.200 -0.116 0.000 1.024 582 S CB -0.262 62.892 63.200 -0.078 0.000 0.861 582 S HN 0.455 nan 8.310 nan 0.000 0.456 583 L N 0.712 121.777 121.223 -0.263 0.000 2.201 583 L HA -0.034 4.321 4.340 0.025 0.000 0.212 583 L C 2.276 178.915 176.870 -0.385 0.000 1.105 583 L CA 0.743 55.379 54.840 -0.340 0.000 0.775 583 L CB -0.514 41.222 42.059 -0.539 0.000 0.913 583 L HN 0.348 nan 8.230 nan 0.000 0.440 584 L N -1.220 119.763 121.223 -0.401 0.000 2.179 584 L HA -0.117 4.238 4.340 0.025 0.000 0.208 584 L C 1.994 178.782 176.870 -0.138 0.000 1.096 584 L CA 0.438 55.122 54.840 -0.260 0.000 0.779 584 L CB -0.406 41.517 42.059 -0.227 0.000 0.922 584 L HN 0.290 nan 8.230 nan 0.000 0.443 585 C N 0.381 119.607 119.300 -0.123 0.000 2.460 585 C HA 0.255 4.730 4.460 0.025 0.000 0.322 585 C C 1.883 176.836 174.990 -0.062 0.000 1.333 585 C CA 0.658 59.629 59.018 -0.079 0.000 1.631 585 C CB -1.860 25.844 27.740 -0.061 0.000 1.672 585 C HN 0.557 nan 8.230 nan 0.000 0.596 586 A N -0.901 121.881 122.820 -0.065 0.000 2.150 586 A HA 0.113 4.448 4.320 0.025 0.000 0.191 586 A C 1.904 179.476 177.584 -0.020 0.000 1.591 586 A CA 0.603 52.617 52.037 -0.038 0.000 1.142 586 A CB -0.377 18.602 19.000 -0.036 0.000 1.326 586 A HN 0.409 nan 8.150 nan 0.000 0.470 587 T N 0.321 114.863 114.554 -0.020 0.000 2.896 587 T HA -0.024 4.341 4.350 0.025 0.000 0.263 587 T C 1.706 176.407 174.700 0.001 0.000 1.050 587 T CA 1.357 63.465 62.100 0.014 0.000 1.140 587 T CB -0.262 68.639 68.868 0.054 0.000 0.877 587 T HN 0.123 nan 8.240 nan 0.000 0.457 588 L N 1.256 122.467 121.223 -0.020 0.000 2.131 588 L HA -0.034 4.321 4.340 0.025 0.000 0.210 588 L C 2.656 179.513 176.870 -0.022 0.000 1.092 588 L CA 1.579 56.405 54.840 -0.024 0.000 0.759 588 L CB -0.679 41.355 42.059 -0.042 0.000 0.903 588 L HN 0.269 nan 8.230 nan 0.000 0.435 589 Q N -1.021 118.764 119.800 -0.024 0.000 2.170 589 Q HA -0.150 4.205 4.340 0.025 0.000 0.203 589 Q C 1.246 177.240 176.000 -0.011 0.000 0.976 589 Q CA 1.287 57.078 55.803 -0.021 0.000 0.858 589 Q CB -0.092 28.633 28.738 -0.022 0.000 0.907 589 Q HN 0.522 nan 8.270 nan 0.000 0.433 590 N N -0.219 118.478 118.700 -0.005 0.000 2.336 590 N HA -0.030 4.725 4.740 0.025 0.000 0.189 590 N C 1.488 177.004 175.510 0.011 0.000 1.113 590 N CA 0.568 53.618 53.050 0.000 0.000 0.858 590 N CB 0.880 39.368 38.487 0.001 0.000 0.970 590 N HN 0.214 nan 8.380 nan 0.000 0.471 591 V N -2.553 117.367 119.914 0.011 0.000 2.922 591 V HA 0.204 4.339 4.120 0.025 0.000 0.242 591 V C 1.951 178.057 176.094 0.020 0.000 1.094 591 V CA 0.341 62.653 62.300 0.020 0.000 1.106 591 V CB -0.525 31.307 31.823 0.014 0.000 0.799 591 V HN -0.051 nan 8.190 nan 0.000 0.474 592 L N 0.012 121.238 121.223 0.004 0.000 2.201 592 L HA 0.011 4.366 4.340 0.025 0.000 0.212 592 L C 3.003 179.875 176.870 0.004 0.000 1.105 592 L CA 1.565 56.404 54.840 -0.002 0.000 0.775 592 L CB -0.376 41.671 42.059 -0.021 0.000 0.913 592 L HN 0.265 nan 8.230 nan 0.000 0.440 593 R N -0.170 120.334 120.500 0.007 0.000 2.062 593 R HA -0.058 4.297 4.340 0.025 0.000 0.226 593 R C 1.106 177.425 176.300 0.031 0.000 1.125 593 R CA 0.771 56.878 56.100 0.012 0.000 0.966 593 R CB 0.044 30.346 30.300 0.004 0.000 0.861 593 R HN 0.035 nan 8.270 nan 0.000 0.433 594 K N 1.565 121.988 120.400 0.040 0.000 2.360 594 K HA 0.198 4.533 4.320 0.025 0.000 0.235 594 K C -1.389 175.275 176.600 0.106 0.000 1.077 594 K CA -0.231 56.095 56.287 0.065 0.000 1.035 594 K CB 0.544 33.076 32.500 0.054 0.000 1.623 594 K HN -0.022 nan 8.250 nan 0.000 0.462 595 V N -0.693 119.297 119.914 0.126 0.000 3.300 595 V HA 0.285 4.421 4.120 0.025 0.000 0.289 595 V C -1.122 175.074 176.094 0.170 0.000 1.533 595 V CA -1.408 61.019 62.300 0.211 0.000 1.059 595 V CB 1.372 33.286 31.823 0.151 0.000 1.161 595 V HN 0.584 nan 8.190 nan 0.000 0.462 596 Q N 0.510 120.441 119.800 0.218 0.000 2.373 596 Q HA 0.246 4.601 4.340 0.025 0.000 0.255 596 Q C 1.008 177.083 176.000 0.124 0.000 0.980 596 Q CA 0.081 55.950 55.803 0.109 0.000 0.882 596 Q CB 0.577 29.337 28.738 0.038 0.000 1.249 596 Q HN 0.940 nan 8.270 nan 0.000 0.438 597 H N 2.899 121.990 119.070 0.036 0.000 2.492 597 H HA -0.174 4.398 4.556 0.025 0.000 0.296 597 H C 0.860 176.215 175.328 0.045 0.000 1.095 597 H CA 2.184 58.254 56.048 0.037 0.000 1.281 597 H CB 0.644 30.419 29.762 0.022 0.000 1.374 597 H HN 0.724 nan 8.280 nan 0.000 0.545 598 Q N 0.157 120.051 119.800 0.156 0.000 1.916 598 Q HA -0.124 4.231 4.340 0.025 0.000 0.203 598 Q C 1.940 177.987 176.000 0.078 0.000 0.983 598 Q CA 1.579 57.453 55.803 0.117 0.000 0.846 598 Q CB -0.092 28.709 28.738 0.106 0.000 0.909 598 Q HN 0.423 nan 8.270 nan 0.000 0.427 599 D N 1.093 121.554 120.400 0.102 0.000 2.190 599 D HA -0.125 4.530 4.640 0.025 0.000 0.200 599 D C 1.082 177.402 176.300 0.034 0.000 0.992 599 D CA 1.260 55.307 54.000 0.079 0.000 0.854 599 D CB -0.201 40.666 40.800 0.113 0.000 0.936 599 D HN 0.310 nan 8.370 nan 0.000 0.462 600 A N -0.365 122.462 122.820 0.012 0.000 2.223 600 A HA 0.146 4.481 4.320 0.025 0.000 0.222 600 A C 1.448 178.999 177.584 -0.054 0.000 1.317 600 A CA 0.331 52.349 52.037 -0.032 0.000 0.985 600 A CB -0.627 18.334 19.000 -0.066 0.000 0.858 600 A HN 0.219 nan 8.150 nan 0.000 0.496 601 L N -2.853 118.358 121.223 -0.020 0.000 2.541 601 L HA 0.007 4.363 4.340 0.025 0.000 0.187 601 L C 2.402 179.284 176.870 0.020 0.000 1.098 601 L CA 0.301 55.141 54.840 -0.000 0.000 0.846 601 L CB -0.590 41.477 42.059 0.013 0.000 1.151 601 L HN 0.248 nan 8.230 nan 0.000 0.492 602 Q N 0.465 120.276 119.800 0.019 0.000 2.135 602 Q HA -0.191 4.164 4.340 0.025 0.000 0.204 602 Q C 1.939 177.945 176.000 0.011 0.000 0.981 602 Q CA 1.637 57.450 55.803 0.017 0.000 0.856 602 Q CB -0.251 28.497 28.738 0.016 0.000 0.902 602 Q HN 0.330 nan 8.270 nan 0.000 0.425 603 I N -0.247 120.325 120.570 0.004 0.000 2.163 603 I HA -0.196 3.989 4.170 0.025 0.000 0.240 603 I C 1.855 177.965 176.117 -0.013 0.000 1.081 603 I CA 1.311 62.606 61.300 -0.008 0.000 1.353 603 I CB -0.520 37.472 38.000 -0.012 0.000 1.054 603 I HN -0.011 nan 8.210 nan 0.000 0.407 604 S N 0.321 116.021 115.700 0.001 0.000 2.537 604 S HA -0.123 4.362 4.470 0.025 0.000 0.240 604 S C 1.264 175.897 174.600 0.054 0.000 0.981 604 S CA 0.928 59.133 58.200 0.009 0.000 0.948 604 S CB -0.305 62.924 63.200 0.049 0.000 0.759 604 S HN 0.436 nan 8.310 nan 0.000 0.531 605 D N 0.088 120.527 120.400 0.065 0.000 2.379 605 D HA 0.124 4.779 4.640 0.025 0.000 0.218 605 D C 1.817 178.137 176.300 0.033 0.000 1.006 605 D CA 0.447 54.513 54.000 0.110 0.000 0.893 605 D CB 0.042 40.890 40.800 0.080 0.000 1.019 605 D HN 0.222 nan 8.370 nan 0.000 0.503 606 V N 0.595 120.508 119.914 -0.002 0.000 2.599 606 V HA -0.069 4.066 4.120 0.025 0.000 0.245 606 V C 2.523 178.585 176.094 -0.053 0.000 1.046 606 V CA 0.628 62.915 62.300 -0.022 0.000 1.065 606 V CB 0.021 31.834 31.823 -0.016 0.000 0.703 606 V HN 0.002 nan 8.190 nan 0.000 0.464 607 V N -0.194 119.681 119.914 -0.066 0.000 2.343 607 V HA -0.298 3.837 4.120 0.025 0.000 0.247 607 V C 2.411 178.409 176.094 -0.160 0.000 1.051 607 V CA 2.514 64.756 62.300 -0.097 0.000 1.036 607 V CB -0.495 31.273 31.823 -0.091 0.000 0.654 607 V HN 0.551 nan 8.190 nan 0.000 0.451 608 M N 0.769 120.239 119.600 -0.216 0.000 2.117 608 M HA -0.056 4.439 4.480 0.025 0.000 0.262 608 M C 2.050 178.175 176.300 -0.293 0.000 1.065 608 M CA 2.173 57.245 55.300 -0.380 0.000 1.114 608 M CB -0.717 31.465 32.600 -0.696 0.000 1.361 608 M HN 0.245 nan 8.290 nan 0.000 0.408 609 A N -1.291 121.428 122.820 -0.167 0.000 2.024 609 A HA -0.132 4.203 4.320 0.025 0.000 0.220 609 A C 2.220 179.735 177.584 -0.116 0.000 1.164 609 A CA 2.168 54.137 52.037 -0.113 0.000 0.643 609 A CB -0.959 18.010 19.000 -0.052 0.000 0.806 609 A HN 0.593 nan 8.150 nan 0.000 0.451 610 S N -0.266 115.364 115.700 -0.117 0.000 2.395 610 S HA 0.031 4.516 4.470 0.025 0.000 0.225 610 S C 1.725 176.257 174.600 -0.114 0.000 1.027 610 S CA 1.092 59.236 58.200 -0.094 0.000 0.965 610 S CB -0.339 62.815 63.200 -0.077 0.000 0.812 610 S HN 0.537 nan 8.310 nan 0.000 0.482 611 L N 0.590 121.706 121.223 -0.178 0.000 2.201 611 L HA 0.035 4.391 4.340 0.025 0.000 0.212 611 L C 2.103 178.801 176.870 -0.288 0.000 1.105 611 L CA 0.931 55.638 54.840 -0.222 0.000 0.775 611 L CB -0.313 41.553 42.059 -0.322 0.000 0.913 611 L HN 0.265 nan 8.230 nan 0.000 0.440 612 L N -1.038 120.000 121.223 -0.308 0.000 2.357 612 L HA 0.008 4.363 4.340 0.025 0.000 0.211 612 L C 2.764 179.522 176.870 -0.186 0.000 1.075 612 L CA 0.397 55.037 54.840 -0.333 0.000 0.830 612 L CB -0.116 41.728 42.059 -0.358 0.000 0.996 612 L HN 0.135 nan 8.230 nan 0.000 0.467 613 R N 0.231 120.657 120.500 -0.122 0.000 2.081 613 R HA -0.203 4.152 4.340 0.025 0.000 0.235 613 R C 2.285 178.554 176.300 -0.051 0.000 1.131 613 R CA 1.528 57.585 56.100 -0.071 0.000 0.960 613 R CB -0.179 30.089 30.300 -0.053 0.000 0.856 613 R HN 0.247 nan 8.270 nan 0.000 0.436 614 M N -0.156 119.426 119.600 -0.030 0.000 2.296 614 M HA -0.130 4.365 4.480 0.025 0.000 0.265 614 M C 1.069 177.395 176.300 0.043 0.000 1.064 614 M CA 1.516 56.816 55.300 -0.000 0.000 1.109 614 M CB -0.334 32.278 32.600 0.021 0.000 1.396 614 M HN 0.110 nan 8.290 nan 0.000 0.430 615 F N 1.141 120.961 119.950 -0.218 0.000 2.325 615 F HA -0.063 4.479 4.527 0.025 0.000 0.299 615 F C 2.409 178.052 175.800 -0.262 0.000 1.090 615 F CA 1.199 59.026 58.000 -0.288 0.000 1.392 615 F CB -0.386 38.301 39.000 -0.521 0.000 1.053 615 F HN 0.239 nan 8.300 nan 0.000 0.521 616 Q N -0.635 119.115 119.800 -0.083 0.000 2.415 616 Q HA 0.073 4.428 4.340 0.025 0.000 0.206 616 Q C 0.550 176.579 176.000 0.049 0.000 0.946 616 Q CA 0.498 56.329 55.803 0.046 0.000 0.951 616 Q CB 0.147 28.923 28.738 0.064 0.000 1.026 616 Q HN 0.250 nan 8.270 nan 0.000 0.510 617 S N -2.478 113.214 115.700 -0.012 0.000 2.874 617 S HA 0.056 4.541 4.470 0.025 0.000 0.257 617 S C 0.744 175.311 174.600 -0.055 0.000 0.975 617 S CA -0.159 58.023 58.200 -0.030 0.000 1.326 617 S CB 0.745 63.900 63.200 -0.074 0.000 1.215 617 S HN 0.166 nan 8.310 nan 0.000 0.679 618 T N 1.405 115.907 114.554 -0.087 0.000 3.003 618 T HA 0.558 4.923 4.350 0.025 0.000 0.261 618 T C 0.037 174.643 174.700 -0.158 0.000 1.003 618 T CA 0.463 62.493 62.100 -0.116 0.000 0.917 618 T CB 0.201 68.992 68.868 -0.129 0.000 1.084 618 T HN 0.323 nan 8.240 nan 0.000 0.522 619 A N 0.389 123.121 122.820 -0.147 0.000 2.332 619 A HA 0.741 5.077 4.320 0.025 0.000 0.300 619 A C 0.244 177.811 177.584 -0.028 0.000 1.153 619 A CA -0.551 51.409 52.037 -0.127 0.000 0.764 619 A CB 1.011 19.891 19.000 -0.200 0.000 1.174 619 A HN 0.355 nan 8.150 nan 0.000 0.467 620 G N 0.861 109.642 108.800 -0.031 0.000 2.547 620 G HA2 0.463 4.438 3.960 0.025 0.000 0.327 620 G HA3 0.463 4.438 3.960 0.025 0.000 0.327 620 G C -0.089 174.785 174.900 -0.045 0.000 1.118 620 G CA -0.005 45.063 45.100 -0.054 0.000 1.022 620 G HN 0.873 nan 8.290 nan 0.000 0.464 621 S N 1.926 117.591 115.700 -0.058 0.000 2.128 621 S HA 0.504 4.989 4.470 0.025 0.000 0.157 621 S C 1.350 175.923 174.600 -0.045 0.000 1.650 621 S CA 0.513 58.688 58.200 -0.042 0.000 1.269 621 S CB -0.562 62.617 63.200 -0.035 0.000 1.227 621 S HN 1.905 nan 8.310 nan 0.000 0.405 622 G N 1.507 110.281 108.800 -0.045 0.000 2.336 622 G HA2 -0.207 3.769 3.960 0.025 0.000 0.233 622 G HA3 -0.207 3.769 3.960 0.025 0.000 0.233 622 G C 0.681 175.547 174.900 -0.057 0.000 1.053 622 G CA 0.061 45.136 45.100 -0.043 0.000 0.625 622 G HN 1.142 nan 8.290 nan 0.000 0.511 623 G N -0.618 108.134 108.800 -0.080 0.000 2.532 623 G HA2 0.614 4.589 3.960 0.025 0.000 0.291 623 G HA3 0.614 4.589 3.960 0.025 0.000 0.291 623 G C 0.146 174.969 174.900 -0.127 0.000 1.349 623 G CA 0.162 45.197 45.100 -0.107 0.000 1.038 623 G HN 0.962 nan 8.290 nan 0.000 0.518 624 V N 1.580 121.398 119.914 -0.160 0.000 2.614 624 V HA 0.053 4.188 4.120 0.025 0.000 0.291 624 V C 1.446 177.502 176.094 -0.063 0.000 1.049 624 V CA -0.234 61.966 62.300 -0.166 0.000 1.038 624 V CB 1.552 33.261 31.823 -0.191 0.000 0.980 624 V HN 0.816 nan 8.190 nan 0.000 0.481 625 Q N 3.540 123.319 119.800 -0.035 0.000 2.515 625 Q HA -0.112 4.243 4.340 0.025 0.000 0.214 625 Q C 0.632 176.632 176.000 -0.001 0.000 0.971 625 Q CA 0.656 56.447 55.803 -0.020 0.000 0.952 625 Q CB -0.675 28.055 28.738 -0.013 0.000 0.999 625 Q HN 0.967 nan 8.270 nan 0.000 0.524 626 E N 0.208 120.425 120.200 0.028 0.000 2.271 626 E HA -0.214 4.151 4.350 0.025 0.000 0.223 626 E C -0.856 175.769 176.600 0.041 0.000 1.223 626 E CA 0.607 57.033 56.400 0.043 0.000 0.704 626 E CB -0.599 29.102 29.700 0.001 0.000 1.194 626 E HN 0.506 nan 8.360 nan 0.000 0.375 627 D N -1.617 118.823 120.400 0.067 0.000 2.331 627 D HA 0.157 4.812 4.640 0.025 0.000 0.300 627 D C 1.577 177.903 176.300 0.044 0.000 1.090 627 D CA 0.629 54.651 54.000 0.036 0.000 0.905 627 D CB -0.457 40.349 40.800 0.010 0.000 1.600 627 D HN 0.262 nan 8.370 nan 0.000 0.511 628 A N 1.424 124.306 122.820 0.102 0.000 1.972 628 A HA -0.064 4.271 4.320 0.025 0.000 0.219 628 A C 2.275 179.863 177.584 0.007 0.000 1.169 628 A CA 0.884 52.944 52.037 0.038 0.000 0.635 628 A CB -0.693 18.363 19.000 0.094 0.000 0.810 628 A HN 0.150 nan 8.150 nan 0.000 0.446 629 L N -1.371 119.919 121.223 0.111 0.000 2.046 629 L HA -0.220 4.135 4.340 0.025 0.000 0.208 629 L C 2.880 179.794 176.870 0.072 0.000 1.077 629 L CA 1.576 56.497 54.840 0.135 0.000 0.747 629 L CB -0.562 41.585 42.059 0.147 0.000 0.896 629 L HN 0.417 nan 8.230 nan 0.000 0.432 630 M N -0.449 119.174 119.600 0.039 0.000 2.082 630 M HA -0.264 4.231 4.480 0.025 0.000 0.258 630 M C 2.539 178.832 176.300 -0.011 0.000 1.069 630 M CA 2.151 57.457 55.300 0.010 0.000 1.102 630 M CB -0.446 32.154 32.600 0.000 0.000 1.336 630 M HN 0.375 nan 8.290 nan 0.000 0.404 631 A N -0.367 122.437 122.820 -0.027 0.000 1.883 631 A HA -0.143 4.192 4.320 0.025 0.000 0.217 631 A C 2.121 179.662 177.584 -0.072 0.000 1.186 631 A CA 1.903 53.906 52.037 -0.056 0.000 0.624 631 A CB -1.109 17.844 19.000 -0.079 0.000 0.822 631 A HN 0.344 nan 8.150 nan 0.000 0.444 632 V N 0.115 119.984 119.914 -0.074 0.000 2.332 632 V HA -0.217 3.918 4.120 0.025 0.000 0.248 632 V C 2.391 178.445 176.094 -0.066 0.000 1.055 632 V CA 2.238 64.486 62.300 -0.087 0.000 1.038 632 V CB -0.808 30.986 31.823 -0.047 0.000 0.651 632 V HN 0.527 nan 8.190 nan 0.000 0.450 633 S N -0.121 115.566 115.700 -0.022 0.000 2.653 633 S HA -0.078 4.407 4.470 0.025 0.000 0.233 633 S C 1.736 176.296 174.600 -0.066 0.000 0.970 633 S CA 1.193 59.366 58.200 -0.045 0.000 0.947 633 S CB -0.349 62.845 63.200 -0.010 0.000 0.771 633 S HN 0.915 nan 8.310 nan 0.000 0.538 634 T N -2.374 112.138 114.554 -0.070 0.000 2.954 634 T HA 0.247 4.612 4.350 0.025 0.000 0.252 634 T C 1.418 176.078 174.700 -0.067 0.000 0.983 634 T CA -0.238 61.826 62.100 -0.060 0.000 0.941 634 T CB -0.120 68.722 68.868 -0.043 0.000 1.141 634 T HN 0.138 nan 8.240 nan 0.000 0.500 635 L N 2.017 123.193 121.223 -0.078 0.000 2.141 635 L HA 0.126 4.481 4.340 0.025 0.000 0.209 635 L C 2.754 179.587 176.870 -0.062 0.000 1.094 635 L CA 1.077 55.890 54.840 -0.046 0.000 0.763 635 L CB -1.355 40.697 42.059 -0.013 0.000 0.908 635 L HN 0.239 nan 8.230 nan 0.000 0.437 636 V N -0.400 119.384 119.914 -0.215 0.000 2.427 636 V HA -0.210 3.926 4.120 0.025 0.000 0.248 636 V C 2.202 178.216 176.094 -0.132 0.000 1.051 636 V CA 1.184 63.291 62.300 -0.322 0.000 1.048 636 V CB -0.627 30.880 31.823 -0.527 0.000 0.666 636 V HN 0.440 nan 8.190 nan 0.000 0.456 637 E N -0.168 119.975 120.200 -0.094 0.000 2.409 637 E HA -0.088 4.277 4.350 0.025 0.000 0.198 637 E C 1.969 178.561 176.600 -0.013 0.000 1.024 637 E CA 0.750 57.126 56.400 -0.041 0.000 0.861 637 E CB 0.107 29.786 29.700 -0.034 0.000 0.788 637 E HN 0.493 nan 8.360 nan 0.000 0.521 638 V N 0.293 120.190 119.914 -0.029 0.000 2.690 638 V HA -0.078 4.057 4.120 0.025 0.000 0.240 638 V C 1.877 177.928 176.094 -0.073 0.000 1.078 638 V CA 0.701 62.971 62.300 -0.051 0.000 1.102 638 V CB -0.067 31.709 31.823 -0.078 0.000 0.800 638 V HN 0.164 nan 8.190 nan 0.000 0.479 639 L N -0.186 121.032 121.223 -0.009 0.000 1.995 639 L HA 0.332 4.687 4.340 0.025 0.000 0.206 639 L C 2.128 179.080 176.870 0.137 0.000 1.098 639 L CA 1.651 56.528 54.840 0.061 0.000 0.762 639 L CB -1.010 41.150 42.059 0.168 0.000 0.900 639 L HN 0.498 nan 8.230 nan 0.000 0.441 640 G N -0.830 108.034 108.800 0.107 0.000 5.005 640 G HA2 -0.284 3.691 3.960 0.025 0.000 0.251 640 G HA3 -0.284 3.691 3.960 0.025 0.000 0.251 640 G C 1.016 175.991 174.900 0.126 0.000 1.536 640 G CA 0.186 45.344 45.100 0.097 0.000 1.060 640 G HN 0.540 nan 8.290 nan 0.000 0.683 641 G N 0.066 108.945 108.800 0.132 0.000 2.986 641 G HA2 0.449 4.424 3.960 0.025 0.000 0.213 641 G HA3 0.449 4.424 3.960 0.025 0.000 0.213 641 G C 0.893 175.865 174.900 0.120 0.000 1.156 641 G CA 1.245 46.417 45.100 0.120 0.000 0.763 641 G HN 0.508 nan 8.290 nan 0.000 0.547 642 E N -0.181 120.104 120.200 0.142 0.000 2.419 642 E HA 0.253 4.618 4.350 0.025 0.000 0.190 642 E C 0.472 177.150 176.600 0.129 0.000 1.040 642 E CA -0.540 55.917 56.400 0.095 0.000 0.900 642 E CB -0.004 29.750 29.700 0.090 0.000 1.054 642 E HN 0.301 nan 8.360 nan 0.000 0.462 643 F N 0.173 120.146 119.950 0.039 0.000 2.732 643 F HA 0.139 4.681 4.527 0.025 0.000 0.303 643 F C 1.114 176.899 175.800 -0.025 0.000 1.110 643 F CA 0.038 58.114 58.000 0.127 0.000 1.355 643 F CB 0.342 39.444 39.000 0.170 0.000 1.081 643 F HN 0.090 nan 8.300 nan 0.000 0.565 644 L N 0.254 121.421 121.223 -0.094 0.000 2.156 644 L HA -0.090 4.265 4.340 0.025 0.000 0.208 644 L C 2.419 179.098 176.870 -0.318 0.000 1.095 644 L CA 1.450 56.215 54.840 -0.125 0.000 0.770 644 L CB -0.957 41.072 42.059 -0.050 0.000 0.914 644 L HN 0.034 nan 8.230 nan 0.000 0.439 645 K N -0.947 119.099 120.400 -0.590 0.000 2.074 645 K HA -0.211 4.124 4.320 0.025 0.000 0.209 645 K C 1.268 177.500 176.600 -0.613 0.000 1.048 645 K CA 1.909 57.795 56.287 -0.667 0.000 0.926 645 K CB -0.190 31.767 32.500 -0.904 0.000 0.713 645 K HN 0.379 nan 8.250 nan 0.000 0.444 646 Y N -2.332 117.783 120.300 -0.308 0.000 2.984 646 Y HA 0.198 4.763 4.550 0.025 0.000 0.193 646 Y C 1.785 177.517 175.900 -0.280 0.000 0.897 646 Y CA -0.362 57.527 58.100 -0.351 0.000 1.183 646 Y CB -0.326 37.779 38.460 -0.593 0.000 1.064 646 Y HN -0.241 nan 8.280 nan 0.000 0.462 647 M N -1.222 118.298 119.600 -0.133 0.000 2.790 647 M HA -0.358 4.137 4.480 0.025 0.000 0.142 647 M C 1.354 177.698 176.300 0.074 0.000 0.704 647 M CA 2.075 57.376 55.300 0.001 0.000 0.542 647 M CB -1.615 31.002 32.600 0.028 0.000 2.003 647 M HN 0.582 nan 8.290 nan 0.000 0.256 648 E N -0.241 119.989 120.200 0.050 0.000 2.051 648 E HA 0.085 4.450 4.350 0.025 0.000 0.192 648 E C 2.043 178.721 176.600 0.129 0.000 0.991 648 E CA 1.833 58.273 56.400 0.066 0.000 0.799 648 E CB -0.334 29.398 29.700 0.053 0.000 0.748 648 E HN 0.712 nan 8.360 nan 0.000 0.449 649 A N 0.647 123.575 122.820 0.181 0.000 1.933 649 A HA -0.177 4.158 4.320 0.025 0.000 0.218 649 A C 2.047 179.959 177.584 0.547 0.000 1.175 649 A CA 1.084 53.334 52.037 0.354 0.000 0.628 649 A CB -0.729 18.418 19.000 0.244 0.000 0.814 649 A HN 0.197 nan 8.150 nan 0.000 0.444 650 F N 0.481 120.512 119.950 0.136 0.000 2.269 650 F HA -0.066 4.476 4.527 0.026 0.000 0.301 650 F C 2.197 178.035 175.800 0.064 0.000 1.082 650 F CA 1.099 59.167 58.000 0.114 0.000 1.360 650 F CB -0.200 38.821 39.000 0.035 0.000 1.041 650 F HN 0.118 nan 8.300 nan 0.000 0.512 651 K N 0.496 120.961 120.400 0.108 0.000 2.020 651 K HA -0.170 4.165 4.320 0.025 0.000 0.212 651 K C -0.570 175.979 176.600 -0.085 0.000 1.050 651 K CA 1.904 58.142 56.287 -0.083 0.000 0.929 651 K CB -1.622 30.825 32.500 -0.089 0.000 0.714 651 K HN 0.182 nan 8.250 nan 0.000 0.443 652 P HA 0.010 nan 4.420 nan 0.000 0.217 652 P C 1.279 178.455 177.300 -0.207 0.000 1.154 652 P CA 0.983 63.954 63.100 -0.214 0.000 0.841 652 P CB -0.098 31.366 31.700 -0.395 0.000 0.790 653 F N -0.629 119.366 119.950 0.075 0.000 2.259 653 F HA -0.007 4.535 4.527 0.025 0.000 0.298 653 F C 2.275 178.095 175.800 0.033 0.000 1.088 653 F CA 0.861 58.955 58.000 0.157 0.000 1.358 653 F CB -1.198 38.055 39.000 0.421 0.000 1.040 653 F HN -0.189 nan 8.300 nan 0.000 0.505 654 L N -0.424 120.759 121.223 -0.066 0.000 2.313 654 L HA 0.101 4.456 4.340 0.025 0.000 0.214 654 L C 2.324 179.090 176.870 -0.173 0.000 1.119 654 L CA 1.161 55.778 54.840 -0.371 0.000 0.809 654 L CB -0.671 40.845 42.059 -0.904 0.000 0.933 654 L HN 0.169 nan 8.230 nan 0.000 0.449 655 G N 0.195 108.927 108.800 -0.113 0.000 2.443 655 G HA2 -0.261 3.714 3.960 0.025 0.000 0.219 655 G HA3 -0.261 3.714 3.960 0.025 0.000 0.219 655 G C 1.400 176.273 174.900 -0.045 0.000 1.131 655 G CA 0.791 45.846 45.100 -0.075 0.000 0.775 655 G HN 0.408 nan 8.290 nan 0.000 0.547 656 I N 1.141 121.692 120.570 -0.031 0.000 3.030 656 I HA 0.252 4.438 4.170 0.025 0.000 0.270 656 I C 2.459 178.577 176.117 0.003 0.000 1.211 656 I CA 0.958 62.250 61.300 -0.013 0.000 1.479 656 I CB -0.235 37.757 38.000 -0.013 0.000 1.105 656 I HN 0.016 nan 8.210 nan 0.000 0.447 657 G N 0.293 109.099 108.800 0.010 0.000 2.598 657 G HA2 -0.068 3.907 3.960 0.025 0.000 0.215 657 G HA3 -0.068 3.907 3.960 0.025 0.000 0.215 657 G C 1.409 176.305 174.900 -0.008 0.000 1.131 657 G CA 0.458 45.565 45.100 0.012 0.000 0.785 657 G HN 0.438 nan 8.290 nan 0.000 0.539 658 L N -1.130 120.082 121.223 -0.018 0.000 2.693 658 L HA 0.338 4.694 4.340 0.025 0.000 0.235 658 L C 2.296 179.173 176.870 0.012 0.000 1.127 658 L CA 0.122 54.956 54.840 -0.011 0.000 0.914 658 L CB 0.397 42.441 42.059 -0.026 0.000 1.193 658 L HN 0.087 nan 8.230 nan 0.000 0.502 659 K N 0.082 120.491 120.400 0.015 0.000 2.308 659 K HA 0.044 4.380 4.320 0.025 0.000 0.197 659 K C 0.988 177.626 176.600 0.062 0.000 1.049 659 K CA -0.144 56.161 56.287 0.030 0.000 0.991 659 K CB 0.428 32.936 32.500 0.013 0.000 0.836 659 K HN 0.115 nan 8.250 nan 0.000 0.500 660 N N 0.806 119.536 118.700 0.050 0.000 2.414 660 N HA -0.173 4.582 4.740 0.025 0.000 0.268 660 N C -0.074 175.507 175.510 0.118 0.000 1.286 660 N CA 0.472 53.559 53.050 0.061 0.000 0.896 660 N CB 0.440 38.935 38.487 0.014 0.000 1.093 660 N HN 0.223 nan 8.380 nan 0.000 0.480 661 Y N 4.578 124.888 120.300 0.018 0.000 2.462 661 Y HA 0.376 4.941 4.550 0.025 0.000 0.253 661 Y C 1.710 177.654 175.900 0.073 0.000 1.095 661 Y CA 0.568 58.693 58.100 0.042 0.000 1.283 661 Y CB 0.061 38.541 38.460 0.033 0.000 1.138 661 Y HN 0.608 nan 8.280 nan 0.000 0.522 662 A N 0.618 123.360 122.820 -0.130 0.000 1.854 662 A HA -0.038 4.298 4.320 0.025 0.000 0.214 662 A C 1.055 178.537 177.584 -0.170 0.000 1.192 662 A CA 0.937 52.862 52.037 -0.186 0.000 0.611 662 A CB -0.506 18.453 19.000 -0.068 0.000 0.832 662 A HN 0.502 nan 8.150 nan 0.000 0.442 663 E N 0.901 121.002 120.200 -0.165 0.000 1.802 663 E HA 0.176 4.541 4.350 0.025 0.000 0.265 663 E C -0.349 176.102 176.600 -0.248 0.000 1.168 663 E CA -0.393 55.842 56.400 -0.274 0.000 1.033 663 E CB -0.113 29.473 29.700 -0.190 0.000 1.095 663 E HN 0.795 nan 8.360 nan 0.000 0.436 664 Y N 0.493 120.715 120.300 -0.129 0.000 2.688 664 Y HA -0.033 4.533 4.550 0.027 0.000 0.311 664 Y C 1.307 177.142 175.900 -0.109 0.000 1.185 664 Y CA 0.060 58.093 58.100 -0.112 0.000 1.336 664 Y CB -0.064 38.331 38.460 -0.109 0.000 1.015 664 Y HN 0.262 nan 8.280 nan 0.000 0.522 665 Q N -0.314 119.326 119.800 -0.266 0.000 2.350 665 Q HA 0.157 4.512 4.340 0.025 0.000 0.225 665 Q C 1.895 177.825 176.000 -0.116 0.000 0.878 665 Q CA 0.455 56.149 55.803 -0.182 0.000 0.935 665 Q CB 0.566 29.150 28.738 -0.256 0.000 1.099 665 Q HN 0.564 nan 8.270 nan 0.000 0.527 666 V N 0.055 119.902 119.914 -0.111 0.000 2.436 666 V HA -0.142 3.993 4.120 0.025 0.000 0.240 666 V C 2.317 178.392 176.094 -0.031 0.000 1.040 666 V CA 1.183 63.443 62.300 -0.066 0.000 1.052 666 V CB -0.388 31.393 31.823 -0.069 0.000 0.707 666 V HN 0.408 nan 8.190 nan 0.000 0.469 667 C N 0.537 119.825 119.300 -0.021 0.000 2.403 667 C HA -0.181 4.295 4.460 0.025 0.000 0.282 667 C C 2.713 177.697 174.990 -0.010 0.000 1.297 667 C CA 1.287 60.302 59.018 -0.004 0.000 1.785 667 C CB -1.304 26.447 27.740 0.019 0.000 1.963 667 C HN 0.607 nan 8.230 nan 0.000 0.507 668 L N 2.033 123.248 121.223 -0.013 0.000 2.051 668 L HA -0.121 4.234 4.340 0.025 0.000 0.214 668 L C 2.498 179.358 176.870 -0.016 0.000 1.076 668 L CA 2.835 57.666 54.840 -0.016 0.000 0.758 668 L CB -0.941 41.103 42.059 -0.023 0.000 0.890 668 L HN 0.382 nan 8.230 nan 0.000 0.433 669 A N -0.702 122.111 122.820 -0.011 0.000 1.855 669 A HA 0.095 4.430 4.320 0.025 0.000 0.213 669 A C 2.421 180.004 177.584 -0.002 0.000 1.195 669 A CA 1.381 53.417 52.037 -0.001 0.000 0.610 669 A CB -1.244 17.764 19.000 0.014 0.000 0.837 669 A HN 0.569 nan 8.150 nan 0.000 0.444 670 A N -0.455 122.360 122.820 -0.008 0.000 2.076 670 A HA 0.046 4.381 4.320 0.025 0.000 0.220 670 A C 2.107 179.663 177.584 -0.047 0.000 1.160 670 A CA 1.784 53.799 52.037 -0.036 0.000 0.653 670 A CB -0.693 18.280 19.000 -0.046 0.000 0.801 670 A HN 0.367 nan 8.150 nan 0.000 0.455 671 V N -0.525 119.366 119.914 -0.039 0.000 2.302 671 V HA -0.076 4.059 4.120 0.025 0.000 0.243 671 V C 2.797 178.866 176.094 -0.042 0.000 1.036 671 V CA 1.739 64.007 62.300 -0.053 0.000 1.020 671 V CB -1.488 30.294 31.823 -0.068 0.000 0.657 671 V HN 0.543 nan 8.190 nan 0.000 0.453 672 G N -0.500 108.282 108.800 -0.030 0.000 2.498 672 G HA2 -0.198 3.777 3.960 0.025 0.000 0.219 672 G HA3 -0.198 3.777 3.960 0.025 0.000 0.219 672 G C 1.590 176.483 174.900 -0.012 0.000 1.119 672 G CA 0.795 45.883 45.100 -0.021 0.000 0.766 672 G HN 0.412 nan 8.290 nan 0.000 0.552 673 L N 0.394 121.613 121.223 -0.006 0.000 1.976 673 L HA -0.093 4.262 4.340 0.025 0.000 0.209 673 L C 2.913 179.792 176.870 0.015 0.000 1.071 673 L CA 1.188 56.037 54.840 0.015 0.000 0.746 673 L CB -0.296 41.775 42.059 0.021 0.000 0.890 673 L HN 0.138 nan 8.230 nan 0.000 0.432 674 V N 0.287 120.204 119.914 0.005 0.000 2.469 674 V HA -0.242 3.893 4.120 0.025 0.000 0.251 674 V C 2.632 178.751 176.094 0.041 0.000 1.064 674 V CA 1.726 64.047 62.300 0.035 0.000 1.066 674 V CB -1.480 30.362 31.823 0.032 0.000 0.667 674 V HN 0.686 nan 8.190 nan 0.000 0.461 675 G N 0.029 108.837 108.800 0.013 0.000 2.418 675 G HA2 -0.254 3.721 3.960 0.025 0.000 0.217 675 G HA3 -0.254 3.721 3.960 0.025 0.000 0.217 675 G C 1.121 176.025 174.900 0.007 0.000 1.158 675 G CA 1.085 46.192 45.100 0.012 0.000 0.771 675 G HN 0.537 nan 8.290 nan 0.000 0.545 676 D N 0.151 120.542 120.400 -0.016 0.000 2.312 676 D HA 0.010 4.665 4.640 0.025 0.000 0.211 676 D C 2.482 178.744 176.300 -0.064 0.000 0.964 676 D CA 0.189 54.161 54.000 -0.047 0.000 0.877 676 D CB -0.027 40.726 40.800 -0.079 0.000 0.924 676 D HN 0.318 nan 8.370 nan 0.000 0.515 677 L N -0.169 121.038 121.223 -0.027 0.000 2.156 677 L HA -0.085 4.270 4.340 0.025 0.000 0.208 677 L C 1.921 178.833 176.870 0.071 0.000 1.095 677 L CA 0.518 55.365 54.840 0.012 0.000 0.770 677 L CB -0.310 41.813 42.059 0.108 0.000 0.914 677 L HN 0.145 nan 8.230 nan 0.000 0.439 678 C N 0.016 119.361 119.300 0.075 0.000 2.437 678 C HA -0.078 4.397 4.460 0.025 0.000 0.283 678 C C 2.244 177.267 174.990 0.055 0.000 1.424 678 C CA 0.451 59.520 59.018 0.085 0.000 1.782 678 C CB -1.256 26.534 27.740 0.082 0.000 1.833 678 C HN 0.422 nan 8.230 nan 0.000 0.532 679 R N 0.033 120.550 120.500 0.029 0.000 2.507 679 R HA 0.370 4.725 4.340 0.025 0.000 0.298 679 R C 1.159 177.470 176.300 0.017 0.000 0.999 679 R CA 0.380 56.491 56.100 0.018 0.000 1.082 679 R CB 0.140 30.441 30.300 0.002 0.000 1.246 679 R HN 0.496 nan 8.270 nan 0.000 0.553 680 A N 0.839 123.678 122.820 0.031 0.000 2.284 680 A HA 0.208 4.544 4.320 0.025 0.000 0.219 680 A C 1.653 179.298 177.584 0.101 0.000 2.353 680 A CA -0.231 51.836 52.037 0.050 0.000 1.164 680 A CB -0.395 18.610 19.000 0.009 0.000 1.293 680 A HN 0.086 nan 8.150 nan 0.000 0.586 681 L N -1.338 119.972 121.223 0.144 0.000 1.994 681 L HA -0.215 4.140 4.340 0.025 0.000 0.208 681 L C 2.103 179.039 176.870 0.110 0.000 1.071 681 L CA 2.187 57.116 54.840 0.149 0.000 0.745 681 L CB -0.581 41.599 42.059 0.201 0.000 0.892 681 L HN 0.826 nan 8.230 nan 0.000 0.431 682 Q N -1.561 118.303 119.800 0.107 0.000 2.261 682 Q HA -0.295 4.060 4.340 0.025 0.000 0.155 682 Q C 1.005 177.051 176.000 0.077 0.000 0.598 682 Q CA 1.420 57.273 55.803 0.082 0.000 1.376 682 Q CB -1.100 27.674 28.738 0.060 0.000 1.356 682 Q HN 0.515 nan 8.270 nan 0.000 0.947 683 S N -0.043 115.705 115.700 0.081 0.000 2.787 683 S HA 0.161 4.646 4.470 0.025 0.000 0.255 683 S C -0.484 174.152 174.600 0.059 0.000 1.051 683 S CA 0.071 58.310 58.200 0.065 0.000 1.124 683 S CB 0.649 63.881 63.200 0.053 0.000 1.104 683 S HN 0.545 nan 8.310 nan 0.000 0.623 684 N N 1.131 119.875 118.700 0.073 0.000 2.732 684 N HA 0.328 5.084 4.740 0.025 0.000 0.235 684 N C -0.436 175.088 175.510 0.024 0.000 1.466 684 N CA -0.233 52.839 53.050 0.036 0.000 0.751 684 N CB -0.076 38.448 38.487 0.061 0.000 1.317 684 N HN 0.225 nan 8.380 nan 0.000 0.525 685 I N -0.081 120.459 120.570 -0.050 0.000 4.620 685 I HA 0.171 4.357 4.170 0.025 0.000 0.347 685 I C 1.587 177.550 176.117 -0.256 0.000 1.302 685 I CA -0.238 61.019 61.300 -0.072 0.000 1.277 685 I CB 0.428 38.579 38.000 0.252 0.000 1.566 685 I HN 0.049 nan 8.210 nan 0.000 0.547 686 I N 3.472 123.927 120.570 -0.193 0.000 2.113 686 I HA -0.217 3.968 4.170 0.025 0.000 0.242 686 I C -0.250 175.721 176.117 -0.243 0.000 1.064 686 I CA 1.934 63.145 61.300 -0.148 0.000 1.320 686 I CB -1.653 36.282 38.000 -0.107 0.000 1.028 686 I HN 0.191 nan 8.210 nan 0.000 0.406 687 P HA -0.173 nan 4.420 nan 0.000 0.226 687 P C 0.944 178.177 177.300 -0.113 0.000 1.146 687 P CA 1.488 64.407 63.100 -0.301 0.000 0.773 687 P CB -0.369 31.110 31.700 -0.368 0.000 0.772 688 F N -1.699 118.274 119.950 0.038 0.000 2.713 688 F HA 0.191 4.733 4.527 0.025 0.000 0.294 688 F C 2.060 177.888 175.800 0.047 0.000 1.152 688 F CA -0.755 57.272 58.000 0.045 0.000 1.385 688 F CB -0.404 38.636 39.000 0.068 0.000 0.981 688 F HN 0.034 nan 8.300 nan 0.000 0.514 689 C N -0.309 119.070 119.300 0.131 0.000 2.937 689 C HA 0.041 4.516 4.460 0.025 0.000 0.426 689 C C 2.338 177.366 174.990 0.063 0.000 1.321 689 C CA 0.246 59.325 59.018 0.100 0.000 2.082 689 C CB -0.533 27.206 27.740 -0.003 0.000 2.834 689 C HN 0.365 nan 8.230 nan 0.000 0.593 690 D N 1.414 121.825 120.400 0.019 0.000 2.228 690 D HA -0.141 4.514 4.640 0.025 0.000 0.203 690 D C 1.748 178.071 176.300 0.038 0.000 0.988 690 D CA 1.424 55.427 54.000 0.005 0.000 0.864 690 D CB -0.167 40.630 40.800 -0.005 0.000 0.928 690 D HN 0.621 nan 8.370 nan 0.000 0.469 691 E N 0.370 120.610 120.200 0.066 0.000 2.007 691 E HA -0.130 4.236 4.350 0.025 0.000 0.194 691 E C 2.413 179.050 176.600 0.062 0.000 0.999 691 E CA 0.680 57.115 56.400 0.059 0.000 0.811 691 E CB -0.482 29.256 29.700 0.063 0.000 0.762 691 E HN 0.110 nan 8.360 nan 0.000 0.450 692 V N 0.713 120.682 119.914 0.091 0.000 2.568 692 V HA -0.293 3.842 4.120 0.025 0.000 0.253 692 V C 2.129 178.315 176.094 0.154 0.000 1.072 692 V CA 1.631 63.991 62.300 0.100 0.000 1.084 692 V CB -0.557 31.329 31.823 0.106 0.000 0.676 692 V HN 0.204 nan 8.190 nan 0.000 0.469 693 M N 1.060 120.748 119.600 0.147 0.000 2.315 693 M HA -0.186 4.309 4.480 0.025 0.000 0.264 693 M C 1.698 178.040 176.300 0.071 0.000 1.075 693 M CA 2.015 57.379 55.300 0.107 0.000 1.093 693 M CB -0.577 32.030 32.600 0.011 0.000 1.251 693 M HN 0.336 nan 8.290 nan 0.000 0.449 694 Q N -0.595 119.226 119.800 0.034 0.000 2.242 694 Q HA 0.358 4.714 4.340 0.025 0.000 0.246 694 Q C 0.294 176.297 176.000 0.005 0.000 0.883 694 Q CA 0.256 56.067 55.803 0.014 0.000 0.984 694 Q CB -0.012 28.726 28.738 -0.000 0.000 1.096 694 Q HN 0.518 nan 8.270 nan 0.000 0.452 695 L N -1.535 119.699 121.223 0.019 0.000 3.360 695 L HA 0.280 4.635 4.340 0.025 0.000 0.303 695 L C 0.864 177.746 176.870 0.020 0.000 1.218 695 L CA 0.193 55.039 54.840 0.010 0.000 1.059 695 L CB 0.582 42.650 42.059 0.015 0.000 1.468 695 L HN 0.262 nan 8.230 nan 0.000 0.614 696 L N -1.159 120.083 121.223 0.031 0.000 2.758 696 L HA 0.160 4.515 4.340 0.025 0.000 0.234 696 L C 1.535 178.429 176.870 0.040 0.000 1.049 696 L CA 0.274 55.134 54.840 0.034 0.000 0.908 696 L CB 0.660 42.723 42.059 0.006 0.000 1.362 696 L HN 0.177 nan 8.230 nan 0.000 0.499 697 L N 0.156 121.411 121.223 0.053 0.000 2.552 697 L HA -0.034 4.321 4.340 0.025 0.000 0.227 697 L C 2.046 178.924 176.870 0.013 0.000 1.146 697 L CA 1.184 56.056 54.840 0.054 0.000 0.858 697 L CB -0.383 41.728 42.059 0.087 0.000 0.969 697 L HN 0.233 nan 8.230 nan 0.000 0.451 698 E N -0.199 119.993 120.200 -0.013 0.000 2.385 698 E HA -0.136 4.229 4.350 0.025 0.000 0.194 698 E C 1.859 178.367 176.600 -0.154 0.000 1.013 698 E CA 0.173 56.531 56.400 -0.069 0.000 0.866 698 E CB 0.075 29.734 29.700 -0.069 0.000 0.832 698 E HN 0.504 nan 8.360 nan 0.000 0.500 699 N N 1.247 119.890 118.700 -0.096 0.000 2.459 699 N HA -0.140 4.615 4.740 0.025 0.000 0.181 699 N C 1.456 176.966 175.510 -0.000 0.000 1.046 699 N CA 0.449 53.443 53.050 -0.094 0.000 0.904 699 N CB -0.083 38.521 38.487 0.196 0.000 0.964 699 N HN 0.283 nan 8.380 nan 0.000 0.444 700 L N 0.077 121.301 121.223 0.001 0.000 2.633 700 L HA 0.145 4.500 4.340 0.025 0.000 0.235 700 L C 0.978 177.844 176.870 -0.007 0.000 1.163 700 L CA 0.237 55.094 54.840 0.029 0.000 0.859 700 L CB -0.462 41.615 42.059 0.030 0.000 0.973 700 L HN 0.153 nan 8.230 nan 0.000 0.451 701 G N -0.631 108.110 108.800 -0.099 0.000 2.737 701 G HA2 0.314 4.289 3.960 0.025 0.000 0.290 701 G HA3 0.314 4.289 3.960 0.025 0.000 0.290 701 G C -0.903 173.848 174.900 -0.248 0.000 1.482 701 G CA -0.398 44.634 45.100 -0.114 0.000 1.017 701 G HN -0.164 nan 8.290 nan 0.000 0.529 702 N N 0.564 119.230 118.700 -0.057 0.000 2.443 702 N HA 0.184 4.939 4.740 0.025 0.000 0.294 702 N C 0.436 176.014 175.510 0.114 0.000 1.289 702 N CA -0.610 52.465 53.050 0.042 0.000 0.966 702 N CB 0.936 39.455 38.487 0.054 0.000 1.122 702 N HN 0.422 nan 8.380 nan 0.000 0.569 703 E N 0.811 121.051 120.200 0.067 0.000 2.354 703 E HA 0.034 4.399 4.350 0.025 0.000 0.260 703 E C -0.491 176.115 176.600 0.010 0.000 1.405 703 E CA -0.025 56.402 56.400 0.044 0.000 1.728 703 E CB -0.382 29.325 29.700 0.013 0.000 1.471 703 E HN 0.273 nan 8.360 nan 0.000 0.441 704 N N 0.757 119.483 118.700 0.042 0.000 2.458 704 N HA 0.045 4.800 4.740 0.025 0.000 0.274 704 N C 0.441 175.842 175.510 -0.183 0.000 1.242 704 N CA -0.038 52.977 53.050 -0.058 0.000 0.904 704 N CB 0.354 38.828 38.487 -0.020 0.000 1.206 704 N HN -0.026 nan 8.380 nan 0.000 0.510 705 V N -0.573 119.232 119.914 -0.182 0.000 2.597 705 V HA 0.224 4.360 4.120 0.025 0.000 0.220 705 V C 0.576 176.317 176.094 -0.588 0.000 1.134 705 V CA 0.452 62.566 62.300 -0.310 0.000 1.159 705 V CB -0.294 31.500 31.823 -0.048 0.000 0.788 705 V HN 0.449 nan 8.190 nan 0.000 0.502 706 H N -1.602 117.208 119.070 -0.433 0.000 2.984 706 H HA 0.307 4.878 4.556 0.026 0.000 0.298 706 H C 0.512 175.660 175.328 -0.300 0.000 1.378 706 H CA -0.574 55.224 56.048 -0.417 0.000 1.241 706 H CB 1.308 30.824 29.762 -0.410 0.000 1.894 706 H HN -0.012 nan 8.280 nan 0.000 0.511 707 R N 0.580 120.775 120.500 -0.509 0.000 2.090 707 R HA -0.028 4.327 4.340 0.025 0.000 0.228 707 R C 1.803 177.709 176.300 -0.657 0.000 1.110 707 R CA 1.484 57.251 56.100 -0.556 0.000 0.973 707 R CB 0.076 30.031 30.300 -0.576 0.000 0.869 707 R HN 0.321 nan 8.270 nan 0.000 0.440 708 S N 0.696 116.384 115.700 -0.020 0.000 2.368 708 S HA -0.039 4.446 4.470 0.025 0.000 0.224 708 S C 0.951 175.554 174.600 0.006 0.000 1.029 708 S CA 0.564 58.751 58.200 -0.021 0.000 0.988 708 S CB 0.011 63.257 63.200 0.076 0.000 0.838 708 S HN -0.004 nan 8.310 nan 0.000 0.462 709 V N 2.302 122.235 119.914 0.032 0.000 2.485 709 V HA 0.202 4.337 4.120 0.025 0.000 0.287 709 V C 0.710 176.838 176.094 0.056 0.000 1.022 709 V CA 0.831 63.155 62.300 0.040 0.000 1.067 709 V CB 0.605 32.459 31.823 0.051 0.000 0.967 709 V HN 0.384 nan 8.190 nan 0.000 0.479 710 K N 3.355 123.810 120.400 0.092 0.000 2.159 710 K HA 0.056 4.392 4.320 0.025 0.000 0.154 710 K C -1.799 174.866 176.600 0.108 0.000 2.479 710 K CA 0.091 56.451 56.287 0.121 0.000 1.260 710 K CB -0.640 31.985 32.500 0.208 0.000 2.751 710 K HN 0.456 nan 8.250 nan 0.000 0.414 711 P HA -0.127 nan 4.420 nan 0.000 0.213 711 P C 0.882 178.200 177.300 0.030 0.000 1.170 711 P CA 1.148 64.304 63.100 0.093 0.000 0.893 711 P CB 0.121 31.888 31.700 0.111 0.000 0.784 712 Q N -0.629 119.181 119.800 0.016 0.000 2.268 712 Q HA -0.163 4.192 4.340 0.025 0.000 0.210 712 Q C 1.998 177.934 176.000 -0.107 0.000 0.988 712 Q CA 1.148 56.931 55.803 -0.034 0.000 0.883 712 Q CB -0.941 27.784 28.738 -0.021 0.000 0.911 712 Q HN 0.311 nan 8.270 nan 0.000 0.430 713 I N -0.119 120.397 120.570 -0.090 0.000 2.163 713 I HA -0.247 3.938 4.170 0.025 0.000 0.243 713 I C 1.992 177.889 176.117 -0.367 0.000 1.085 713 I CA 1.290 62.490 61.300 -0.167 0.000 1.347 713 I CB -1.039 36.928 38.000 -0.055 0.000 1.044 713 I HN 0.163 nan 8.210 nan 0.000 0.408 714 L N -0.519 120.581 121.223 -0.205 0.000 2.470 714 L HA 0.175 4.530 4.340 0.025 0.000 0.219 714 L C 2.214 179.018 176.870 -0.110 0.000 1.071 714 L CA 0.545 55.288 54.840 -0.161 0.000 0.850 714 L CB -0.773 41.355 42.059 0.115 0.000 1.040 714 L HN -0.065 nan 8.230 nan 0.000 0.475 715 S N -0.387 115.269 115.700 -0.074 0.000 2.500 715 S HA -0.042 4.443 4.470 0.025 0.000 0.239 715 S C 1.507 176.080 174.600 -0.045 0.000 0.989 715 S CA 0.800 58.991 58.200 -0.015 0.000 0.951 715 S CB -0.111 63.093 63.200 0.006 0.000 0.759 715 S HN 0.225 nan 8.310 nan 0.000 0.523 716 V N 0.555 120.369 119.914 -0.167 0.000 3.376 716 V HA 0.228 4.364 4.120 0.025 0.000 0.313 716 V C 0.759 176.789 176.094 -0.106 0.000 1.393 716 V CA 0.306 62.520 62.300 -0.143 0.000 1.125 716 V CB -0.621 31.093 31.823 -0.181 0.000 1.037 716 V HN 0.371 nan 8.190 nan 0.000 0.440 717 F N 1.532 121.470 119.950 -0.020 0.000 2.473 717 F HA 0.275 4.817 4.527 0.025 0.000 0.294 717 F C 2.290 178.141 175.800 0.085 0.000 1.103 717 F CA 0.649 58.632 58.000 -0.028 0.000 1.442 717 F CB -0.945 37.860 39.000 -0.325 0.000 1.097 717 F HN 0.246 nan 8.300 nan 0.000 0.547 718 G N 0.597 109.533 108.800 0.227 0.000 2.402 718 G HA2 -0.263 3.712 3.960 0.025 0.000 0.216 718 G HA3 -0.263 3.712 3.960 0.025 0.000 0.216 718 G C 1.173 176.100 174.900 0.044 0.000 1.162 718 G CA 1.184 46.357 45.100 0.121 0.000 0.777 718 G HN 0.413 nan 8.290 nan 0.000 0.539 719 D N 0.657 121.092 120.400 0.059 0.000 2.224 719 D HA -0.058 4.597 4.640 0.025 0.000 0.205 719 D C 2.147 178.482 176.300 0.058 0.000 0.965 719 D CA 0.221 54.245 54.000 0.039 0.000 0.852 719 D CB -0.267 40.556 40.800 0.037 0.000 0.947 719 D HN 0.321 nan 8.370 nan 0.000 0.494 720 I N 1.086 121.735 120.570 0.131 0.000 2.546 720 I HA -0.060 4.125 4.170 0.025 0.000 0.255 720 I C 2.208 178.379 176.117 0.090 0.000 1.163 720 I CA 0.804 62.249 61.300 0.241 0.000 1.457 720 I CB -0.940 37.342 38.000 0.469 0.000 1.092 720 I HN 0.079 nan 8.210 nan 0.000 0.434 721 A N 0.728 123.342 122.820 -0.342 0.000 2.216 721 A HA -0.036 4.299 4.320 0.025 0.000 0.214 721 A C 1.588 178.891 177.584 -0.469 0.000 1.160 721 A CA 0.496 51.871 52.037 -1.104 0.000 0.725 721 A CB -0.761 17.754 19.000 -0.809 0.000 0.784 721 A HN 0.413 nan 8.150 nan 0.000 0.472 722 L N -0.051 121.073 121.223 -0.167 0.000 2.727 722 L HA 0.380 4.735 4.340 0.025 0.000 0.237 722 L C 0.616 177.492 176.870 0.010 0.000 1.370 722 L CA 0.204 55.007 54.840 -0.061 0.000 1.248 722 L CB -0.110 41.936 42.059 -0.021 0.000 1.556 722 L HN 0.341 nan 8.230 nan 0.000 0.420 723 A N 1.513 124.355 122.820 0.037 0.000 3.318 723 A HA 0.357 4.692 4.320 0.025 0.000 0.209 723 A C 0.830 178.498 177.584 0.141 0.000 1.102 723 A CA 0.127 52.225 52.037 0.101 0.000 1.128 723 A CB -0.287 18.795 19.000 0.137 0.000 1.310 723 A HN 0.590 nan 8.150 nan 0.000 0.726 724 I N -3.222 117.411 120.570 0.105 0.000 3.899 724 I HA -0.276 3.909 4.170 0.025 0.000 0.144 724 I C 0.946 177.178 176.117 0.191 0.000 0.379 724 I CA 1.551 62.919 61.300 0.113 0.000 1.237 724 I CB -1.944 36.102 38.000 0.077 0.000 1.087 724 I HN 1.531 nan 8.210 nan 0.000 0.213 725 G N 1.234 110.223 108.800 0.316 0.000 2.134 725 G HA2 0.326 4.301 3.960 0.025 0.000 0.246 725 G HA3 0.326 4.301 3.960 0.025 0.000 0.246 725 G C 0.819 175.913 174.900 0.323 0.000 1.024 725 G CA 0.200 45.489 45.100 0.316 0.000 0.895 725 G HN 1.402 nan 8.290 nan 0.000 0.420 726 G N 1.435 110.306 108.800 0.119 0.000 3.448 726 G HA2 0.310 4.286 3.960 0.025 0.000 0.261 726 G HA3 0.310 4.286 3.960 0.025 0.000 0.261 726 G C 0.860 175.770 174.900 0.016 0.000 1.173 726 G CA -0.137 45.020 45.100 0.096 0.000 0.835 726 G HN 0.561 nan 8.290 nan 0.000 0.534 727 E N 0.068 120.208 120.200 -0.099 0.000 2.473 727 E HA 0.122 4.487 4.350 0.025 0.000 0.204 727 E C 1.214 177.699 176.600 -0.191 0.000 0.994 727 E CA -0.263 56.023 56.400 -0.190 0.000 0.945 727 E CB -0.051 29.481 29.700 -0.279 0.000 0.990 727 E HN 0.498 nan 8.360 nan 0.000 0.493 728 F N 1.770 121.747 119.950 0.046 0.000 2.451 728 F HA -0.026 4.516 4.527 0.025 0.000 0.299 728 F C 1.890 177.499 175.800 -0.318 0.000 1.101 728 F CA 0.858 58.869 58.000 0.019 0.000 1.436 728 F CB -0.202 38.852 39.000 0.091 0.000 1.074 728 F HN -0.070 nan 8.300 nan 0.000 0.553 729 K N 0.196 120.590 120.400 -0.010 0.000 2.432 729 K HA -0.082 4.253 4.320 0.025 0.000 0.196 729 K C 1.635 178.175 176.600 -0.100 0.000 1.038 729 K CA 0.651 56.897 56.287 -0.069 0.000 0.986 729 K CB -0.027 32.469 32.500 -0.007 0.000 0.782 729 K HN 0.153 nan 8.250 nan 0.000 0.485 730 K N 0.202 120.547 120.400 -0.092 0.000 2.358 730 K HA 0.020 4.355 4.320 0.025 0.000 0.200 730 K C 0.657 177.236 176.600 -0.035 0.000 1.030 730 K CA -0.020 56.229 56.287 -0.062 0.000 1.097 730 K CB 0.519 32.989 32.500 -0.051 0.000 0.862 730 K HN 0.269 nan 8.250 nan 0.000 0.534 731 Y N -2.376 117.844 120.300 -0.133 0.000 2.453 731 Y HA 0.176 4.741 4.550 0.025 0.000 0.247 731 Y C 1.182 177.019 175.900 -0.105 0.000 1.124 731 Y CA -0.563 57.432 58.100 -0.175 0.000 1.243 731 Y CB 0.028 38.256 38.460 -0.385 0.000 1.213 731 Y HN -0.110 nan 8.280 nan 0.000 0.523 732 L N 2.486 123.388 121.223 -0.535 0.000 2.079 732 L HA -0.184 4.171 4.340 0.025 0.000 0.210 732 L C 2.283 179.091 176.870 -0.103 0.000 1.081 732 L CA 2.291 56.912 54.840 -0.365 0.000 0.752 732 L CB -0.636 41.278 42.059 -0.242 0.000 0.896 732 L HN 0.538 nan 8.230 nan 0.000 0.433 733 E N -0.508 119.653 120.200 -0.064 0.000 2.511 733 E HA -0.077 4.288 4.350 0.025 0.000 0.196 733 E C 1.619 178.226 176.600 0.012 0.000 1.066 733 E CA 1.173 57.566 56.400 -0.012 0.000 0.871 733 E CB -0.462 29.228 29.700 -0.016 0.000 0.863 733 E HN 0.526 nan 8.360 nan 0.000 0.520 734 V N -2.915 117.021 119.914 0.037 0.000 3.570 734 V HA 0.165 4.300 4.120 0.025 0.000 0.257 734 V C 1.943 178.099 176.094 0.103 0.000 1.272 734 V CA 0.017 62.360 62.300 0.072 0.000 1.079 734 V CB 0.319 32.198 31.823 0.093 0.000 0.829 734 V HN 0.049 nan 8.190 nan 0.000 0.454 735 V N 0.802 120.784 119.914 0.114 0.000 2.719 735 V HA 0.080 4.215 4.120 0.025 0.000 0.252 735 V C 2.231 178.375 176.094 0.083 0.000 1.065 735 V CA 1.860 64.217 62.300 0.094 0.000 1.086 735 V CB -0.153 31.674 31.823 0.007 0.000 0.700 735 V HN 0.575 nan 8.190 nan 0.000 0.467 736 L N 0.342 121.623 121.223 0.096 0.000 2.610 736 L HA 0.031 4.386 4.340 0.025 0.000 0.232 736 L C 1.751 178.639 176.870 0.031 0.000 1.149 736 L CA 0.386 55.294 54.840 0.114 0.000 0.872 736 L CB -0.482 41.636 42.059 0.098 0.000 0.992 736 L HN 0.370 nan 8.230 nan 0.000 0.447 737 N N -1.184 117.535 118.700 0.031 0.000 2.439 737 N HA -0.024 4.731 4.740 0.025 0.000 0.176 737 N C 1.826 177.344 175.510 0.014 0.000 1.029 737 N CA 0.933 53.986 53.050 0.006 0.000 0.886 737 N CB -0.114 38.383 38.487 0.017 0.000 1.057 737 N HN 0.039 nan 8.380 nan 0.000 0.437 738 T N 2.795 117.376 114.554 0.045 0.000 2.732 738 T HA 0.001 4.366 4.350 0.025 0.000 0.261 738 T C 1.904 176.633 174.700 0.047 0.000 1.040 738 T CA 0.748 62.882 62.100 0.057 0.000 1.145 738 T CB -0.343 68.576 68.868 0.084 0.000 0.866 738 T HN 0.289 nan 8.240 nan 0.000 0.427 739 L N 0.218 121.455 121.223 0.024 0.000 2.549 739 L HA 0.083 4.438 4.340 0.025 0.000 0.229 739 L C 2.204 179.082 176.870 0.012 0.000 1.158 739 L CA 1.350 56.158 54.840 -0.053 0.000 0.842 739 L CB -0.513 41.383 42.059 -0.272 0.000 0.952 739 L HN 0.231 nan 8.230 nan 0.000 0.452 740 Q N -0.162 119.643 119.800 0.008 0.000 2.402 740 Q HA -0.102 4.254 4.340 0.025 0.000 0.206 740 Q C 2.136 178.113 176.000 -0.038 0.000 0.919 740 Q CA 0.466 56.218 55.803 -0.085 0.000 0.923 740 Q CB 0.268 28.863 28.738 -0.238 0.000 1.048 740 Q HN 0.708 nan 8.270 nan 0.000 0.515 741 Q N -1.126 118.681 119.800 0.013 0.000 2.373 741 Q HA 0.122 4.477 4.340 0.025 0.000 0.210 741 Q C 1.598 177.640 176.000 0.070 0.000 0.913 741 Q CA 0.649 56.469 55.803 0.029 0.000 0.911 741 Q CB 0.224 28.980 28.738 0.029 0.000 1.040 741 Q HN 0.387 nan 8.270 nan 0.000 0.521 742 A N -0.166 122.712 122.820 0.096 0.000 2.066 742 A HA -0.078 4.257 4.320 0.025 0.000 0.218 742 A C 2.042 179.721 177.584 0.159 0.000 1.157 742 A CA 1.416 53.526 52.037 0.121 0.000 0.670 742 A CB -0.146 18.925 19.000 0.119 0.000 0.804 742 A HN 0.326 nan 8.150 nan 0.000 0.453 743 S N -0.489 115.328 115.700 0.194 0.000 2.362 743 S HA -0.105 4.380 4.470 0.025 0.000 0.221 743 S C 2.052 176.736 174.600 0.139 0.000 1.032 743 S CA 0.821 59.166 58.200 0.242 0.000 0.973 743 S CB -0.281 63.153 63.200 0.389 0.000 0.849 743 S HN 0.585 nan 8.310 nan 0.000 0.465 744 Q N 1.108 120.956 119.800 0.081 0.000 2.181 744 Q HA 0.031 4.386 4.340 0.025 0.000 0.205 744 Q C 0.953 176.988 176.000 0.058 0.000 0.980 744 Q CA 0.727 56.556 55.803 0.043 0.000 0.862 744 Q CB -0.480 28.264 28.738 0.010 0.000 0.905 744 Q HN 0.508 nan 8.270 nan 0.000 0.429 745 A N 1.969 124.834 122.820 0.075 0.000 2.496 745 A HA 0.032 4.368 4.320 0.025 0.000 0.278 745 A C -0.178 177.455 177.584 0.082 0.000 1.137 745 A CA -0.006 52.076 52.037 0.075 0.000 0.805 745 A CB -0.057 18.995 19.000 0.087 0.000 1.077 745 A HN 0.124 nan 8.150 nan 0.000 0.513 746 Q N 1.984 121.824 119.800 0.066 0.000 3.159 746 Q HA 0.221 4.576 4.340 0.025 0.000 0.280 746 Q C -0.240 175.796 176.000 0.060 0.000 1.403 746 Q CA 0.093 55.934 55.803 0.065 0.000 0.957 746 Q CB -0.043 28.726 28.738 0.051 0.000 1.729 746 Q HN 0.480 nan 8.270 nan 0.000 0.551 747 V N 1.818 121.773 119.914 0.068 0.000 2.324 747 V HA -0.041 4.094 4.120 0.025 0.000 0.244 747 V C 0.302 176.423 176.094 0.044 0.000 1.144 747 V CA -0.352 61.985 62.300 0.061 0.000 1.158 747 V CB -0.172 31.696 31.823 0.075 0.000 1.254 747 V HN 0.478 nan 8.190 nan 0.000 0.492 748 D N 5.137 125.559 120.400 0.035 0.000 2.356 748 D HA -0.002 4.653 4.640 0.025 0.000 0.272 748 D C 1.052 177.352 176.300 0.000 0.000 1.337 748 D CA -0.180 53.832 54.000 0.020 0.000 0.970 748 D CB 0.618 41.431 40.800 0.022 0.000 1.092 748 D HN 0.673 nan 8.370 nan 0.000 0.516 749 K N 1.324 121.713 120.400 -0.019 0.000 3.233 749 K HA 0.086 4.421 4.320 0.025 0.000 0.283 749 K C 1.153 177.685 176.600 -0.114 0.000 1.209 749 K CA -0.291 55.958 56.287 -0.063 0.000 1.197 749 K CB -0.181 32.276 32.500 -0.071 0.000 1.431 749 K HN 0.170 nan 8.250 nan 0.000 0.326 750 S N -0.914 114.740 115.700 -0.077 0.000 2.387 750 S HA -0.120 4.365 4.470 0.025 0.000 0.226 750 S C 0.545 175.060 174.600 -0.141 0.000 1.026 750 S CA 0.552 58.701 58.200 -0.084 0.000 0.972 750 S CB -0.144 63.040 63.200 -0.025 0.000 0.814 750 S HN 0.554 nan 8.310 nan 0.000 0.477 751 D N -0.775 119.553 120.400 -0.120 0.000 2.299 751 D HA 0.375 5.030 4.640 0.025 0.000 0.243 751 D C -0.773 175.440 176.300 -0.145 0.000 0.982 751 D CA -0.994 52.940 54.000 -0.111 0.000 0.924 751 D CB 0.858 41.650 40.800 -0.013 0.000 1.238 751 D HN 0.158 nan 8.370 nan 0.000 0.484 752 Y N 0.777 121.071 120.300 -0.010 0.000 2.487 752 Y HA 0.092 4.661 4.550 0.031 0.000 0.339 752 Y C 0.835 176.739 175.900 0.007 0.000 1.191 752 Y CA 0.046 58.144 58.100 -0.004 0.000 1.279 752 Y CB 0.128 38.577 38.460 -0.018 0.000 1.122 752 Y HN 0.268 nan 8.280 nan 0.000 0.500 753 D N -1.189 119.269 120.400 0.095 0.000 2.379 753 D HA -0.009 4.646 4.640 0.025 0.000 0.218 753 D C 1.921 178.268 176.300 0.079 0.000 1.006 753 D CA 0.787 54.833 54.000 0.077 0.000 0.893 753 D CB 0.170 40.996 40.800 0.045 0.000 1.019 753 D HN 0.258 nan 8.370 nan 0.000 0.503 754 M N 0.322 119.958 119.600 0.060 0.000 2.435 754 M HA 0.069 4.565 4.480 0.025 0.000 0.265 754 M C 2.200 178.555 176.300 0.091 0.000 1.104 754 M CA 0.442 55.790 55.300 0.080 0.000 1.140 754 M CB -0.448 32.180 32.600 0.046 0.000 1.372 754 M HN -0.088 nan 8.290 nan 0.000 0.456 755 V N 1.111 121.057 119.914 0.054 0.000 2.488 755 V HA -0.183 3.952 4.120 0.025 0.000 0.246 755 V C 1.233 177.374 176.094 0.079 0.000 1.046 755 V CA 1.950 64.275 62.300 0.041 0.000 1.053 755 V CB -0.398 31.428 31.823 0.005 0.000 0.679 755 V HN 0.256 nan 8.190 nan 0.000 0.458 756 D N -1.001 119.473 120.400 0.124 0.000 2.315 756 D HA -0.188 4.467 4.640 0.025 0.000 0.211 756 D C 1.545 177.945 176.300 0.167 0.000 0.977 756 D CA 1.905 55.984 54.000 0.132 0.000 0.894 756 D CB -0.023 40.856 40.800 0.131 0.000 0.910 756 D HN 0.792 nan 8.370 nan 0.000 0.490 757 Y N -0.431 119.902 120.300 0.054 0.000 2.589 757 Y HA 0.158 4.722 4.550 0.024 0.000 0.271 757 Y C 1.692 177.628 175.900 0.059 0.000 1.107 757 Y CA -0.210 57.924 58.100 0.057 0.000 1.273 757 Y CB -0.353 38.140 38.460 0.055 0.000 1.266 757 Y HN -0.138 nan 8.280 nan 0.000 0.504 758 L N 2.215 123.326 121.223 -0.187 0.000 2.040 758 L HA -0.336 4.019 4.340 0.025 0.000 0.228 758 L C 0.003 176.677 176.870 -0.327 0.000 1.092 758 L CA 2.423 57.109 54.840 -0.256 0.000 0.805 758 L CB -1.343 40.682 42.059 -0.056 0.000 0.905 758 L HN 0.410 nan 8.230 nan 0.000 0.443 759 N N 0.038 118.630 118.700 -0.180 0.000 3.245 759 N HA 0.059 4.814 4.740 0.025 0.000 0.296 759 N C 0.757 176.194 175.510 -0.123 0.000 1.254 759 N CA 0.047 53.034 53.050 -0.106 0.000 1.190 759 N CB 0.255 38.736 38.487 -0.009 0.000 1.460 759 N HN 0.423 nan 8.380 nan 0.000 0.538 760 E N 0.161 120.218 120.200 -0.238 0.000 2.701 760 E HA 0.046 4.412 4.350 0.025 0.000 0.201 760 E C 0.914 177.482 176.600 -0.053 0.000 0.961 760 E CA 0.071 56.393 56.400 -0.129 0.000 1.659 760 E CB 0.129 29.770 29.700 -0.098 0.000 1.970 760 E HN 0.286 nan 8.360 nan 0.000 1.021 761 L N 1.853 122.989 121.223 -0.145 0.000 2.551 761 L HA 0.092 4.447 4.340 0.025 0.000 0.228 761 L C 1.883 178.809 176.870 0.093 0.000 1.153 761 L CA 1.138 56.001 54.840 0.038 0.000 0.851 761 L CB -0.195 41.905 42.059 0.068 0.000 0.959 761 L HN -0.008 nan 8.230 nan 0.000 0.451 762 R N -0.818 119.735 120.500 0.087 0.000 2.075 762 R HA -0.027 4.328 4.340 0.025 0.000 0.220 762 R C 1.904 178.315 176.300 0.185 0.000 1.118 762 R CA 0.927 57.148 56.100 0.201 0.000 0.986 762 R CB -0.246 30.155 30.300 0.168 0.000 0.884 762 R HN 0.385 nan 8.270 nan 0.000 0.439 763 E N 0.917 121.183 120.200 0.109 0.000 2.401 763 E HA -0.135 4.230 4.350 0.025 0.000 0.199 763 E C 0.933 177.603 176.600 0.117 0.000 1.023 763 E CA 0.918 57.378 56.400 0.099 0.000 0.859 763 E CB 0.239 29.980 29.700 0.069 0.000 0.780 763 E HN 0.226 nan 8.360 nan 0.000 0.523 764 S N 0.027 115.805 115.700 0.129 0.000 2.326 764 S HA -0.147 4.338 4.470 0.025 0.000 0.211 764 S C 2.110 176.797 174.600 0.144 0.000 1.031 764 S CA 1.006 59.278 58.200 0.120 0.000 0.985 764 S CB -0.592 62.677 63.200 0.115 0.000 0.961 764 S HN 0.452 nan 8.310 nan 0.000 0.436 765 C N 2.227 121.636 119.300 0.182 0.000 2.409 765 C HA 0.031 4.506 4.460 0.025 0.000 0.284 765 C C 2.535 177.711 174.990 0.310 0.000 1.354 765 C CA 0.304 59.435 59.018 0.190 0.000 1.787 765 C CB -1.834 26.049 27.740 0.239 0.000 1.900 765 C HN 0.476 nan 8.230 nan 0.000 0.520 766 L N 0.799 122.228 121.223 0.343 0.000 1.994 766 L HA -0.193 4.162 4.340 0.025 0.000 0.208 766 L C 2.640 179.660 176.870 0.249 0.000 1.071 766 L CA 1.795 56.837 54.840 0.337 0.000 0.745 766 L CB -0.913 41.271 42.059 0.209 0.000 0.892 766 L HN 0.380 nan 8.230 nan 0.000 0.431 767 E N 0.224 120.523 120.200 0.165 0.000 2.160 767 E HA -0.226 4.139 4.350 0.025 0.000 0.195 767 E C 2.214 178.888 176.600 0.122 0.000 0.991 767 E CA 1.065 57.537 56.400 0.119 0.000 0.810 767 E CB -0.177 29.575 29.700 0.085 0.000 0.742 767 E HN 0.520 nan 8.360 nan 0.000 0.466 768 A N 0.846 123.737 122.820 0.119 0.000 1.835 768 A HA -0.203 4.132 4.320 0.025 0.000 0.215 768 A C 1.870 179.492 177.584 0.063 0.000 1.199 768 A CA 1.430 53.521 52.037 0.090 0.000 0.615 768 A CB -1.005 18.006 19.000 0.018 0.000 0.838 768 A HN 0.249 nan 8.150 nan 0.000 0.444 769 Y N 0.918 121.310 120.300 0.154 0.000 2.114 769 Y HA -0.216 4.349 4.550 0.025 0.000 0.282 769 Y C 3.009 178.953 175.900 0.074 0.000 1.165 769 Y CA 1.831 59.994 58.100 0.105 0.000 1.148 769 Y CB -1.358 37.168 38.460 0.110 0.000 0.972 769 Y HN 0.285 nan 8.280 nan 0.000 0.504 770 T N -0.572 114.120 114.554 0.231 0.000 2.665 770 T HA -0.246 4.119 4.350 0.025 0.000 0.268 770 T C 2.236 176.983 174.700 0.078 0.000 1.035 770 T CA 1.640 63.819 62.100 0.132 0.000 1.151 770 T CB -1.038 67.891 68.868 0.103 0.000 0.862 770 T HN 0.626 nan 8.240 nan 0.000 0.438 771 G N 0.822 109.662 108.800 0.066 0.000 2.408 771 G HA2 -0.069 3.906 3.960 0.025 0.000 0.217 771 G HA3 -0.069 3.906 3.960 0.025 0.000 0.217 771 G C 1.547 176.424 174.900 -0.039 0.000 1.150 771 G CA 0.370 45.475 45.100 0.010 0.000 0.776 771 G HN 0.490 nan 8.290 nan 0.000 0.542 772 I N 0.494 121.065 120.570 0.002 0.000 2.113 772 I HA -0.173 4.012 4.170 0.025 0.000 0.238 772 I C 2.772 178.886 176.117 -0.005 0.000 1.070 772 I CA 0.714 61.994 61.300 -0.034 0.000 1.332 772 I CB -0.473 37.530 38.000 0.006 0.000 1.044 772 I HN 0.005 nan 8.210 nan 0.000 0.402 773 V N 0.479 120.427 119.914 0.057 0.000 2.392 773 V HA -0.271 3.865 4.120 0.025 0.000 0.249 773 V C 2.523 178.635 176.094 0.031 0.000 1.059 773 V CA 1.623 63.962 62.300 0.064 0.000 1.051 773 V CB -0.707 31.171 31.823 0.091 0.000 0.658 773 V HN 0.448 nan 8.190 nan 0.000 0.455 774 Q N 0.411 120.217 119.800 0.009 0.000 1.941 774 Q HA -0.097 4.258 4.340 0.025 0.000 0.201 774 Q C 2.521 178.504 176.000 -0.028 0.000 0.982 774 Q CA 2.010 57.807 55.803 -0.010 0.000 0.839 774 Q CB -1.223 27.506 28.738 -0.016 0.000 0.904 774 Q HN 0.614 nan 8.270 nan 0.000 0.427 775 G N 1.117 109.878 108.800 -0.065 0.000 2.475 775 G HA2 -0.201 3.774 3.960 0.025 0.000 0.220 775 G HA3 -0.201 3.774 3.960 0.025 0.000 0.220 775 G C 1.133 176.007 174.900 -0.043 0.000 1.125 775 G CA 0.558 45.608 45.100 -0.084 0.000 0.755 775 G HN 0.281 nan 8.290 nan 0.000 0.565 776 L N -0.288 120.919 121.223 -0.026 0.000 2.737 776 L HA 0.372 4.727 4.340 0.025 0.000 0.236 776 L C 0.411 177.300 176.870 0.032 0.000 1.219 776 L CA -0.011 54.840 54.840 0.018 0.000 1.021 776 L CB 0.011 42.091 42.059 0.035 0.000 1.291 776 L HN 0.112 nan 8.230 nan 0.000 0.470 777 K N 0.095 120.502 120.400 0.011 0.000 2.535 777 K HA 0.296 4.632 4.320 0.025 0.000 0.310 777 K C -0.214 176.373 176.600 -0.021 0.000 1.178 777 K CA -0.343 55.943 56.287 -0.002 0.000 1.052 777 K CB 0.801 33.309 32.500 0.013 0.000 1.364 777 K HN 0.069 nan 8.250 nan 0.000 0.475 778 G N 2.045 110.829 108.800 -0.026 0.000 2.588 778 G HA2 0.032 4.008 3.960 0.025 0.000 0.278 778 G HA3 0.032 4.008 3.960 0.025 0.000 0.278 778 G C 0.426 175.302 174.900 -0.039 0.000 1.307 778 G CA -0.160 44.925 45.100 -0.026 0.000 1.016 778 G HN 0.724 nan 8.290 nan 0.000 0.503 779 D N -0.318 120.063 120.400 -0.031 0.000 2.127 779 D HA -0.105 4.550 4.640 0.025 0.000 0.190 779 D C 1.448 177.722 176.300 -0.042 0.000 1.000 779 D CA 1.350 55.329 54.000 -0.034 0.000 0.839 779 D CB -0.004 40.782 40.800 -0.022 0.000 0.955 779 D HN 0.506 nan 8.370 nan 0.000 0.446 780 Q N 1.010 120.791 119.800 -0.032 0.000 2.293 780 Q HA 0.397 4.752 4.340 0.025 0.000 0.261 780 Q C -1.191 174.782 176.000 -0.046 0.000 0.960 780 Q CA -0.435 55.349 55.803 -0.031 0.000 0.882 780 Q CB 2.165 30.900 28.738 -0.004 0.000 1.275 780 Q HN -0.157 nan 8.270 nan 0.000 0.445 781 E N 2.994 123.138 120.200 -0.093 0.000 2.149 781 E HA 0.254 4.619 4.350 0.025 0.000 0.255 781 E C 0.007 176.602 176.600 -0.008 0.000 0.888 781 E CA -0.368 55.967 56.400 -0.108 0.000 0.742 781 E CB 0.538 30.072 29.700 -0.277 0.000 1.164 781 E HN 0.596 nan 8.360 nan 0.000 0.422 782 N N 2.397 121.119 118.700 0.036 0.000 2.091 782 N HA -0.109 4.646 4.740 0.025 0.000 0.193 782 N C -0.067 175.515 175.510 0.119 0.000 1.021 782 N CA 0.969 54.061 53.050 0.071 0.000 0.862 782 N CB 0.106 38.621 38.487 0.048 0.000 1.018 782 N HN 0.215 nan 8.380 nan 0.000 0.429 783 V N 0.719 120.709 119.914 0.128 0.000 2.532 783 V HA 0.131 4.266 4.120 0.025 0.000 0.294 783 V C 0.569 176.790 176.094 0.212 0.000 1.036 783 V CA -0.710 61.692 62.300 0.169 0.000 0.876 783 V CB 1.741 33.617 31.823 0.088 0.000 1.012 783 V HN 0.236 nan 8.190 nan 0.000 0.432 784 H N 4.308 123.397 119.070 0.032 0.000 2.319 784 H HA -0.079 4.492 4.556 0.025 0.000 0.299 784 H C -0.908 174.453 175.328 0.054 0.000 1.092 784 H CA 1.974 58.060 56.048 0.063 0.000 1.302 784 H CB -0.194 29.607 29.762 0.064 0.000 1.373 784 H HN 0.528 nan 8.280 nan 0.000 0.497 785 P HA 0.121 nan 4.420 nan 0.000 0.279 785 P C -0.094 177.242 177.300 0.061 0.000 1.237 785 P CA 0.602 63.770 63.100 0.114 0.000 0.888 785 P CB 0.635 32.371 31.700 0.061 0.000 1.324 786 D N -0.581 119.865 120.400 0.076 0.000 2.368 786 D HA 0.002 4.657 4.640 0.025 0.000 0.218 786 D C 1.746 178.086 176.300 0.066 0.000 1.112 786 D CA 0.063 54.093 54.000 0.051 0.000 0.834 786 D CB -0.127 40.698 40.800 0.043 0.000 0.953 786 D HN -0.057 nan 8.370 nan 0.000 0.505 787 V N -1.304 118.672 119.914 0.104 0.000 2.220 787 V HA -0.251 3.884 4.120 0.025 0.000 0.246 787 V C 2.072 178.220 176.094 0.091 0.000 1.049 787 V CA 1.085 63.461 62.300 0.126 0.000 1.003 787 V CB -0.545 31.409 31.823 0.218 0.000 0.634 787 V HN 0.156 nan 8.190 nan 0.000 0.444 788 M N 0.094 119.733 119.600 0.066 0.000 2.549 788 M HA 0.148 4.643 4.480 0.025 0.000 0.260 788 M C 1.630 177.941 176.300 0.018 0.000 1.076 788 M CA 1.184 56.504 55.300 0.034 0.000 1.090 788 M CB -1.067 31.527 32.600 -0.009 0.000 1.418 788 M HN 0.412 nan 8.290 nan 0.000 0.486 789 L N -0.223 121.011 121.223 0.018 0.000 2.747 789 L HA 0.007 4.362 4.340 0.025 0.000 0.248 789 L C 0.669 177.552 176.870 0.023 0.000 1.191 789 L CA -0.252 54.595 54.840 0.012 0.000 1.003 789 L CB -0.318 41.746 42.059 0.007 0.000 1.235 789 L HN -0.068 nan 8.230 nan 0.000 0.426 790 V N -2.185 117.748 119.914 0.033 0.000 3.199 790 V HA 0.072 4.207 4.120 0.025 0.000 0.331 790 V C 1.518 177.633 176.094 0.034 0.000 1.446 790 V CA -0.138 62.186 62.300 0.041 0.000 1.120 790 V CB 0.649 32.509 31.823 0.062 0.000 1.051 790 V HN 0.237 nan 8.190 nan 0.000 0.495 791 Q N 2.122 121.937 119.800 0.026 0.000 1.985 791 Q HA -0.154 4.201 4.340 0.025 0.000 0.207 791 Q C -0.185 175.830 176.000 0.026 0.000 0.996 791 Q CA 2.632 58.449 55.803 0.023 0.000 0.851 791 Q CB -1.290 27.457 28.738 0.015 0.000 0.921 791 Q HN 0.441 nan 8.270 nan 0.000 0.418 792 P HA -0.136 nan 4.420 nan 0.000 0.216 792 P C 1.139 178.464 177.300 0.041 0.000 1.150 792 P CA 1.331 64.447 63.100 0.025 0.000 0.843 792 P CB -0.053 31.656 31.700 0.015 0.000 0.787 793 R N -0.128 120.400 120.500 0.046 0.000 2.153 793 R HA 0.021 4.377 4.340 0.025 0.000 0.218 793 R C 1.835 178.186 176.300 0.086 0.000 1.072 793 R CA 0.602 56.746 56.100 0.073 0.000 0.990 793 R CB -1.227 29.116 30.300 0.071 0.000 0.889 793 R HN 0.078 nan 8.270 nan 0.000 0.452 794 V N 1.628 121.569 119.914 0.045 0.000 2.660 794 V HA -0.257 3.878 4.120 0.025 0.000 0.257 794 V C 2.297 178.418 176.094 0.045 0.000 1.088 794 V CA 1.979 64.290 62.300 0.019 0.000 1.106 794 V CB -0.544 31.285 31.823 0.010 0.000 0.686 794 V HN 0.335 nan 8.190 nan 0.000 0.481 795 E N 0.953 121.197 120.200 0.075 0.000 2.013 795 E HA -0.299 4.066 4.350 0.025 0.000 0.202 795 E C 1.932 178.626 176.600 0.155 0.000 1.018 795 E CA 2.149 58.607 56.400 0.096 0.000 0.834 795 E CB -0.644 29.118 29.700 0.103 0.000 0.770 795 E HN 0.443 nan 8.360 nan 0.000 0.459 796 F N 0.495 120.474 119.950 0.048 0.000 2.171 796 F HA -0.001 4.539 4.527 0.022 0.000 0.300 796 F C 2.172 178.127 175.800 0.257 0.000 1.090 796 F CA 1.206 59.275 58.000 0.115 0.000 1.293 796 F CB -0.218 38.814 39.000 0.054 0.000 1.013 796 F HN 0.118 nan 8.300 nan 0.000 0.486 797 I N -0.324 120.375 120.570 0.214 0.000 2.423 797 I HA -0.320 3.865 4.170 0.025 0.000 0.254 797 I C 1.703 177.813 176.117 -0.012 0.000 1.151 797 I CA 1.335 62.701 61.300 0.110 0.000 1.421 797 I CB -0.250 37.679 38.000 -0.117 0.000 1.079 797 I HN 0.187 nan 8.210 nan 0.000 0.431 798 L N -1.807 119.391 121.223 -0.042 0.000 2.701 798 L HA 0.122 4.477 4.340 0.025 0.000 0.238 798 L C 2.106 178.892 176.870 -0.140 0.000 1.106 798 L CA 0.088 54.858 54.840 -0.117 0.000 0.898 798 L CB 0.188 42.202 42.059 -0.076 0.000 1.188 798 L HN -0.025 nan 8.230 nan 0.000 0.508 799 S N 0.398 116.037 115.700 -0.102 0.000 2.427 799 S HA -0.033 4.452 4.470 0.025 0.000 0.224 799 S C 1.656 176.124 174.600 -0.220 0.000 1.047 799 S CA 0.510 58.649 58.200 -0.101 0.000 0.953 799 S CB -0.023 63.193 63.200 0.025 0.000 0.824 799 S HN 0.505 nan 8.310 nan 0.000 0.502 800 F N 1.360 120.918 119.950 -0.653 0.000 2.456 800 F HA 0.209 4.750 4.527 0.023 0.000 0.298 800 F C 1.645 177.242 175.800 -0.337 0.000 1.104 800 F CA 0.491 58.050 58.000 -0.736 0.000 1.435 800 F CB -0.233 37.814 39.000 -1.589 0.000 1.078 800 F HN 0.037 nan 8.300 nan 0.000 0.546 801 I N 1.493 121.423 120.570 -1.067 0.000 2.394 801 I HA -0.210 3.975 4.170 0.025 0.000 0.251 801 I C 1.925 177.739 176.117 -0.505 0.000 1.136 801 I CA 1.621 62.388 61.300 -0.890 0.000 1.425 801 I CB -1.099 36.560 38.000 -0.568 0.000 1.079 801 I HN 0.301 nan 8.210 nan 0.000 0.425 802 D N -0.511 119.685 120.400 -0.341 0.000 2.194 802 D HA -0.239 4.416 4.640 0.025 0.000 0.204 802 D C 2.215 178.416 176.300 -0.165 0.000 0.964 802 D CA 1.204 55.075 54.000 -0.214 0.000 0.846 802 D CB -0.070 40.653 40.800 -0.129 0.000 0.962 802 D HN 0.344 nan 8.370 nan 0.000 0.490 803 H N -0.255 118.662 119.070 -0.255 0.000 2.495 803 H HA 0.132 4.701 4.556 0.021 0.000 0.287 803 H C 1.994 177.204 175.328 -0.196 0.000 1.033 803 H CA 0.986 56.935 56.048 -0.165 0.000 1.307 803 H CB -0.193 29.510 29.762 -0.098 0.000 1.401 803 H HN 0.174 nan 8.280 nan 0.000 0.555 804 I N -0.263 120.083 120.570 -0.373 0.000 2.226 804 I HA -0.219 3.966 4.170 0.025 0.000 0.245 804 I C 2.255 178.001 176.117 -0.619 0.000 1.100 804 I CA 1.245 62.272 61.300 -0.454 0.000 1.374 804 I CB -0.262 37.435 38.000 -0.506 0.000 1.057 804 I HN 0.400 nan 8.210 nan 0.000 0.413 805 A N 0.242 122.733 122.820 -0.548 0.000 2.218 805 A HA 0.167 4.503 4.320 0.025 0.000 0.209 805 A C 2.237 179.686 177.584 -0.225 0.000 1.168 805 A CA 0.851 52.574 52.037 -0.524 0.000 0.804 805 A CB -0.730 18.076 19.000 -0.325 0.000 0.834 805 A HN 0.432 nan 8.150 nan 0.000 0.482 806 G N -0.201 108.471 108.800 -0.214 0.000 2.404 806 G HA2 -0.091 3.884 3.960 0.025 0.000 0.215 806 G HA3 -0.091 3.884 3.960 0.025 0.000 0.215 806 G C 0.433 175.286 174.900 -0.079 0.000 1.174 806 G CA 0.560 45.596 45.100 -0.106 0.000 0.780 806 G HN 0.446 nan 8.290 nan 0.000 0.537 807 D N 0.500 120.817 120.400 -0.139 0.000 2.313 807 D HA 0.150 4.805 4.640 0.025 0.000 0.247 807 D C 0.570 176.906 176.300 0.060 0.000 1.094 807 D CA -0.175 53.794 54.000 -0.053 0.000 0.925 807 D CB 0.943 41.680 40.800 -0.106 0.000 1.188 807 D HN 0.141 nan 8.370 nan 0.000 0.430 808 E N 1.189 121.407 120.200 0.029 0.000 2.382 808 E HA -0.025 4.340 4.350 0.025 0.000 0.190 808 E C -0.388 176.201 176.600 -0.019 0.000 1.125 808 E CA 0.388 56.798 56.400 0.017 0.000 0.929 808 E CB -0.150 29.550 29.700 -0.001 0.000 1.053 808 E HN 0.369 nan 8.360 nan 0.000 0.475 809 D N -0.278 120.135 120.400 0.021 0.000 2.891 809 D HA 0.208 4.863 4.640 0.025 0.000 0.224 809 D C -0.716 175.609 176.300 0.042 0.000 1.321 809 D CA -0.751 53.224 54.000 -0.043 0.000 0.929 809 D CB 0.013 40.802 40.800 -0.018 0.000 1.551 809 D HN 0.142 nan 8.370 nan 0.000 0.574 810 H N -1.634 117.411 119.070 -0.042 0.000 3.319 810 H HA 0.349 4.919 4.556 0.024 0.000 0.315 810 H C -0.640 174.669 175.328 -0.030 0.000 1.434 810 H CA -0.837 55.182 56.048 -0.049 0.000 1.602 810 H CB 0.021 29.738 29.762 -0.075 0.000 2.265 810 H HN 0.309 nan 8.280 nan 0.000 0.368 811 T N 0.784 115.344 114.554 0.009 0.000 2.906 811 T HA -0.105 4.260 4.350 0.025 0.000 0.329 811 T C 0.942 175.659 174.700 0.029 0.000 1.091 811 T CA 0.702 62.800 62.100 -0.003 0.000 1.127 811 T CB 0.258 69.136 68.868 0.017 0.000 1.035 811 T HN 0.712 nan 8.240 nan 0.000 0.547 812 D N 2.685 123.091 120.400 0.010 0.000 2.351 812 D HA 0.007 4.662 4.640 0.025 0.000 0.216 812 D C 1.976 178.299 176.300 0.038 0.000 0.968 812 D CA 1.175 55.192 54.000 0.028 0.000 0.899 812 D CB -0.542 40.265 40.800 0.012 0.000 0.907 812 D HN 0.769 nan 8.370 nan 0.000 0.514 813 G N 0.286 109.108 108.800 0.036 0.000 2.414 813 G HA2 -0.192 3.783 3.960 0.025 0.000 0.215 813 G HA3 -0.192 3.783 3.960 0.025 0.000 0.215 813 G C 1.827 176.753 174.900 0.044 0.000 1.188 813 G CA 0.581 45.703 45.100 0.038 0.000 0.783 813 G HN 0.254 nan 8.290 nan 0.000 0.537 814 V N 0.702 120.646 119.914 0.051 0.000 2.343 814 V HA -0.169 3.966 4.120 0.025 0.000 0.247 814 V C 3.052 179.163 176.094 0.028 0.000 1.051 814 V CA 1.431 63.757 62.300 0.043 0.000 1.036 814 V CB -0.462 31.389 31.823 0.046 0.000 0.654 814 V HN 0.231 nan 8.190 nan 0.000 0.451 815 V N 0.452 120.408 119.914 0.069 0.000 2.332 815 V HA -0.303 3.832 4.120 0.025 0.000 0.248 815 V C 2.710 178.819 176.094 0.025 0.000 1.055 815 V CA 2.115 64.449 62.300 0.057 0.000 1.038 815 V CB -1.269 30.618 31.823 0.107 0.000 0.651 815 V HN 0.566 nan 8.190 nan 0.000 0.450 816 A N -0.630 122.209 122.820 0.032 0.000 1.841 816 A HA -0.284 4.051 4.320 0.025 0.000 0.216 816 A C 2.360 179.958 177.584 0.024 0.000 1.199 816 A CA 2.422 54.476 52.037 0.028 0.000 0.621 816 A CB -1.325 17.692 19.000 0.028 0.000 0.835 816 A HN 0.588 nan 8.150 nan 0.000 0.445 817 C N -0.825 118.492 119.300 0.029 0.000 2.422 817 C HA 0.109 4.584 4.460 0.025 0.000 0.279 817 C C 3.267 178.270 174.990 0.022 0.000 1.305 817 C CA 0.510 59.550 59.018 0.037 0.000 1.757 817 C CB -1.520 26.254 27.740 0.057 0.000 1.962 817 C HN 0.689 nan 8.230 nan 0.000 0.499 818 A N 0.528 123.341 122.820 -0.012 0.000 1.972 818 A HA 0.064 4.399 4.320 0.025 0.000 0.219 818 A C 2.319 179.870 177.584 -0.054 0.000 1.169 818 A CA 2.043 54.038 52.037 -0.070 0.000 0.635 818 A CB -0.622 18.299 19.000 -0.133 0.000 0.810 818 A HN 0.573 nan 8.150 nan 0.000 0.446 819 A N -0.588 122.221 122.820 -0.018 0.000 1.855 819 A HA 0.260 4.595 4.320 0.025 0.000 0.213 819 A C 2.446 180.052 177.584 0.037 0.000 1.195 819 A CA 1.569 53.609 52.037 0.006 0.000 0.610 819 A CB -1.443 17.574 19.000 0.028 0.000 0.837 819 A HN 0.729 nan 8.150 nan 0.000 0.444 820 G N 0.030 108.855 108.800 0.041 0.000 2.505 820 G HA2 -0.253 3.723 3.960 0.025 0.000 0.220 820 G HA3 -0.253 3.723 3.960 0.025 0.000 0.220 820 G C 1.588 176.522 174.900 0.056 0.000 1.145 820 G CA 1.171 46.301 45.100 0.051 0.000 0.761 820 G HN 0.401 nan 8.290 nan 0.000 0.571 821 L N 0.184 121.433 121.223 0.044 0.000 1.961 821 L HA -0.095 4.261 4.340 0.025 0.000 0.210 821 L C 2.901 179.789 176.870 0.030 0.000 1.072 821 L CA 0.858 55.724 54.840 0.044 0.000 0.749 821 L CB -0.365 41.714 42.059 0.034 0.000 0.889 821 L HN 0.110 nan 8.230 nan 0.000 0.432 822 I N 0.117 120.687 120.570 -0.000 0.000 2.147 822 I HA -0.327 3.858 4.170 0.025 0.000 0.245 822 I C 2.517 178.651 176.117 0.029 0.000 1.059 822 I CA 1.931 63.224 61.300 -0.012 0.000 1.320 822 I CB -2.102 35.870 38.000 -0.046 0.000 1.021 822 I HN 0.378 nan 8.210 nan 0.000 0.415 823 G N 2.007 110.856 108.800 0.081 0.000 2.604 823 G HA2 -0.293 3.682 3.960 0.025 0.000 0.216 823 G HA3 -0.293 3.682 3.960 0.025 0.000 0.216 823 G C 1.181 176.169 174.900 0.148 0.000 1.265 823 G CA 1.176 46.376 45.100 0.166 0.000 0.804 823 G HN 0.561 nan 8.290 nan 0.000 0.579 824 D N 0.530 121.007 120.400 0.129 0.000 2.310 824 D HA -0.038 4.617 4.640 0.025 0.000 0.212 824 D C 2.305 178.638 176.300 0.056 0.000 0.965 824 D CA 0.281 54.332 54.000 0.085 0.000 0.879 824 D CB -0.414 40.417 40.800 0.053 0.000 0.921 824 D HN 0.390 nan 8.370 nan 0.000 0.510 825 L N -0.074 121.182 121.223 0.055 0.000 2.156 825 L HA -0.069 4.286 4.340 0.025 0.000 0.208 825 L C 1.683 178.579 176.870 0.044 0.000 1.095 825 L CA 0.738 55.606 54.840 0.048 0.000 0.770 825 L CB -0.010 42.065 42.059 0.028 0.000 0.914 825 L HN 0.129 nan 8.230 nan 0.000 0.439 826 C N -1.032 118.287 119.300 0.031 0.000 2.522 826 C HA -0.024 4.451 4.460 0.025 0.000 0.271 826 C C 2.453 177.429 174.990 -0.023 0.000 1.425 826 C CA 0.676 59.703 59.018 0.015 0.000 1.751 826 C CB -0.873 26.867 27.740 0.000 0.000 1.775 826 C HN 0.501 nan 8.230 nan 0.000 0.557 827 T N 0.681 115.219 114.554 -0.026 0.000 3.054 827 T HA 0.072 4.437 4.350 0.025 0.000 0.259 827 T C 2.109 176.682 174.700 -0.212 0.000 1.092 827 T CA 1.000 63.032 62.100 -0.113 0.000 1.121 827 T CB -0.068 68.779 68.868 -0.034 0.000 0.912 827 T HN 0.593 nan 8.240 nan 0.000 0.489 828 A N 1.002 123.806 122.820 -0.028 0.000 1.835 828 A HA 0.316 4.651 4.320 0.025 0.000 0.215 828 A C 0.516 178.243 177.584 0.239 0.000 1.199 828 A CA 1.069 53.196 52.037 0.150 0.000 0.615 828 A CB -0.182 18.943 19.000 0.209 0.000 0.838 828 A HN 0.439 nan 8.150 nan 0.000 0.444 829 F N -5.000 114.995 119.950 0.076 0.000 2.799 829 F HA 0.482 5.024 4.527 0.025 0.000 0.316 829 F C 0.622 176.445 175.800 0.038 0.000 1.155 829 F CA -0.267 57.773 58.000 0.066 0.000 0.916 829 F CB 1.141 40.186 39.000 0.075 0.000 1.294 829 F HN 0.020 nan 8.300 nan 0.000 0.447 830 G N 1.081 109.999 108.800 0.196 0.000 3.959 830 G HA2 0.202 4.177 3.960 0.025 0.000 0.298 830 G HA3 0.202 4.177 3.960 0.025 0.000 0.298 830 G C -0.470 174.487 174.900 0.095 0.000 1.211 830 G CA -0.211 44.949 45.100 0.100 0.000 1.001 830 G HN 0.214 nan 8.290 nan 0.000 0.561 831 K N 1.555 122.023 120.400 0.112 0.000 2.171 831 K HA 0.236 4.572 4.320 0.025 0.000 0.274 831 K C 0.247 176.874 176.600 0.045 0.000 1.110 831 K CA -0.633 55.698 56.287 0.072 0.000 0.952 831 K CB -0.183 32.352 32.500 0.058 0.000 1.309 831 K HN 0.101 nan 8.250 nan 0.000 0.414 832 D N 1.888 122.309 120.400 0.035 0.000 3.039 832 D HA -0.182 4.473 4.640 0.025 0.000 0.222 832 D C 0.642 176.956 176.300 0.024 0.000 1.179 832 D CA 1.113 55.128 54.000 0.025 0.000 0.880 832 D CB -1.332 39.480 40.800 0.019 0.000 1.115 832 D HN 0.355 nan 8.370 nan 0.000 0.416 833 V N -0.456 119.477 119.914 0.031 0.000 2.809 833 V HA -0.157 3.979 4.120 0.025 0.000 0.256 833 V C 2.249 178.349 176.094 0.010 0.000 1.080 833 V CA 1.455 63.769 62.300 0.023 0.000 1.102 833 V CB -0.161 31.684 31.823 0.037 0.000 0.705 833 V HN 0.267 nan 8.190 nan 0.000 0.475 834 L N 0.135 121.366 121.223 0.014 0.000 2.162 834 L HA 0.058 4.413 4.340 0.025 0.000 0.205 834 L C 2.156 179.038 176.870 0.020 0.000 1.086 834 L CA 1.723 56.571 54.840 0.014 0.000 0.778 834 L CB -0.576 41.491 42.059 0.014 0.000 0.928 834 L HN 0.154 nan 8.230 nan 0.000 0.446 835 K N -0.679 119.732 120.400 0.017 0.000 2.504 835 K HA -0.003 4.332 4.320 0.025 0.000 0.195 835 K C 1.776 178.384 176.600 0.013 0.000 1.036 835 K CA 0.652 56.949 56.287 0.017 0.000 0.984 835 K CB 0.054 32.563 32.500 0.015 0.000 0.788 835 K HN 0.359 nan 8.250 nan 0.000 0.488 836 L N 0.020 121.247 121.223 0.008 0.000 2.463 836 L HA -0.025 4.330 4.340 0.025 0.000 0.219 836 L C 1.858 178.717 176.870 -0.018 0.000 1.088 836 L CA 0.185 55.024 54.840 -0.001 0.000 0.849 836 L CB 0.366 42.425 42.059 0.000 0.000 1.012 836 L HN -0.083 nan 8.230 nan 0.000 0.468 837 V N -0.498 119.403 119.914 -0.022 0.000 2.535 837 V HA -0.131 4.004 4.120 0.025 0.000 0.246 837 V C 1.902 177.984 176.094 -0.021 0.000 1.045 837 V CA 1.198 63.461 62.300 -0.061 0.000 1.058 837 V CB -0.135 31.639 31.823 -0.082 0.000 0.689 837 V HN 0.399 nan 8.190 nan 0.000 0.461 838 E N 0.536 120.763 120.200 0.045 0.000 2.478 838 E HA -0.024 4.341 4.350 0.025 0.000 0.198 838 E C 2.151 178.778 176.600 0.045 0.000 1.046 838 E CA 0.773 57.223 56.400 0.084 0.000 0.870 838 E CB -0.112 29.629 29.700 0.068 0.000 0.818 838 E HN 0.605 nan 8.360 nan 0.000 0.527 839 A N 1.492 124.323 122.820 0.018 0.000 1.898 839 A HA -0.072 4.263 4.320 0.025 0.000 0.216 839 A C 1.233 178.822 177.584 0.009 0.000 1.181 839 A CA 0.843 52.887 52.037 0.012 0.000 0.620 839 A CB 0.060 19.063 19.000 0.004 0.000 0.819 839 A HN 0.030 nan 8.150 nan 0.000 0.442 840 R N -0.713 119.785 120.500 -0.004 0.000 2.445 840 R HA 0.384 4.740 4.340 0.025 0.000 0.308 840 R C -2.208 174.093 176.300 0.002 0.000 0.961 840 R CA -2.000 54.095 56.100 -0.008 0.000 0.862 840 R CB 1.234 31.515 30.300 -0.032 0.000 1.144 840 R HN 0.093 nan 8.270 nan 0.000 0.447 841 P HA -0.140 nan 4.420 nan 0.000 0.213 841 P C 0.830 178.148 177.300 0.029 0.000 1.170 841 P CA 1.306 64.428 63.100 0.036 0.000 0.898 841 P CB 0.222 31.938 31.700 0.026 0.000 0.787 842 M N -1.424 118.174 119.600 -0.003 0.000 2.740 842 M HA 0.011 4.506 4.480 0.025 0.000 0.230 842 M C 1.694 177.954 176.300 -0.067 0.000 1.100 842 M CA 0.644 55.931 55.300 -0.022 0.000 1.047 842 M CB -1.316 31.265 32.600 -0.033 0.000 1.652 842 M HN 0.045 nan 8.290 nan 0.000 0.528 843 I N -0.769 119.746 120.570 -0.091 0.000 2.233 843 I HA -0.270 3.916 4.170 0.025 0.000 0.243 843 I C 2.344 178.327 176.117 -0.223 0.000 1.093 843 I CA 0.997 62.180 61.300 -0.196 0.000 1.380 843 I CB -0.435 37.404 38.000 -0.270 0.000 1.067 843 I HN 0.376 nan 8.210 nan 0.000 0.413 844 H N 0.469 119.514 119.070 -0.042 0.000 2.502 844 H HA 0.008 4.579 4.556 0.025 0.000 0.283 844 H C 1.818 177.132 175.328 -0.023 0.000 1.015 844 H CA 0.588 56.617 56.048 -0.032 0.000 1.298 844 H CB 0.124 29.870 29.762 -0.026 0.000 1.411 844 H HN 0.368 nan 8.280 nan 0.000 0.556 845 E N 0.584 120.828 120.200 0.074 0.000 2.265 845 E HA -0.127 4.238 4.350 0.025 0.000 0.196 845 E C 1.925 178.545 176.600 0.032 0.000 0.996 845 E CA 0.466 56.893 56.400 0.045 0.000 0.832 845 E CB 0.119 29.835 29.700 0.027 0.000 0.756 845 E HN 0.252 nan 8.360 nan 0.000 0.491 846 L N 0.091 121.310 121.223 -0.007 0.000 2.221 846 L HA 0.017 4.372 4.340 0.025 0.000 0.202 846 L C 2.093 178.964 176.870 0.002 0.000 1.074 846 L CA 1.017 55.849 54.840 -0.013 0.000 0.795 846 L CB -0.349 41.643 42.059 -0.112 0.000 0.960 846 L HN 0.017 nan 8.230 nan 0.000 0.458 847 L N -0.692 120.523 121.223 -0.013 0.000 2.012 847 L HA -0.233 4.123 4.340 0.025 0.000 0.210 847 L C 2.330 179.228 176.870 0.046 0.000 1.073 847 L CA 1.901 56.749 54.840 0.014 0.000 0.748 847 L CB -1.174 40.897 42.059 0.020 0.000 0.891 847 L HN 0.279 nan 8.230 nan 0.000 0.431 848 T N -0.984 113.606 114.554 0.061 0.000 2.652 848 T HA -0.271 4.094 4.350 0.025 0.000 0.267 848 T C 1.781 176.504 174.700 0.039 0.000 1.039 848 T CA 1.691 63.821 62.100 0.050 0.000 1.153 848 T CB -0.222 68.675 68.868 0.047 0.000 0.863 848 T HN 0.392 nan 8.240 nan 0.000 0.428 849 E N 0.541 120.766 120.200 0.042 0.000 2.118 849 E HA -0.150 4.215 4.350 0.025 0.000 0.195 849 E C 2.419 179.042 176.600 0.038 0.000 0.992 849 E CA 1.248 57.672 56.400 0.041 0.000 0.804 849 E CB -0.483 29.254 29.700 0.063 0.000 0.741 849 E HN 0.531 nan 8.360 nan 0.000 0.458 850 G N 0.972 109.796 108.800 0.041 0.000 2.421 850 G HA2 -0.280 3.695 3.960 0.025 0.000 0.216 850 G HA3 -0.280 3.695 3.960 0.025 0.000 0.216 850 G C 1.567 176.490 174.900 0.038 0.000 1.171 850 G CA 0.807 45.931 45.100 0.039 0.000 0.775 850 G HN 0.232 nan 8.290 nan 0.000 0.543 851 R N 0.129 120.652 120.500 0.038 0.000 2.241 851 R HA 0.042 4.397 4.340 0.025 0.000 0.224 851 R C 0.667 176.985 176.300 0.029 0.000 1.101 851 R CA 0.369 56.491 56.100 0.037 0.000 0.995 851 R CB -0.067 30.253 30.300 0.034 0.000 0.870 851 R HN 0.203 nan 8.270 nan 0.000 0.463 852 R N 1.484 121.999 120.500 0.025 0.000 2.593 852 R HA 0.132 4.487 4.340 0.025 0.000 0.282 852 R C -0.257 176.053 176.300 0.016 0.000 1.300 852 R CA -0.161 55.950 56.100 0.019 0.000 1.221 852 R CB 1.174 31.483 30.300 0.016 0.000 1.157 852 R HN -0.044 nan 8.270 nan 0.000 0.555 853 S N 2.328 118.038 115.700 0.016 0.000 2.563 853 S HA 0.001 4.486 4.470 0.025 0.000 0.284 853 S C 0.259 174.864 174.600 0.008 0.000 1.331 853 S CA -0.227 57.981 58.200 0.014 0.000 1.047 853 S CB 0.467 63.676 63.200 0.014 0.000 0.859 853 S HN 0.309 nan 8.310 nan 0.000 0.514 854 K N 2.109 122.512 120.400 0.005 0.000 2.188 854 K HA 0.213 4.548 4.320 0.025 0.000 0.246 854 K C 0.806 177.411 176.600 0.010 0.000 1.026 854 K CA 0.061 56.352 56.287 0.007 0.000 0.871 854 K CB -0.113 32.389 32.500 0.003 0.000 1.042 854 K HN 0.652 nan 8.250 nan 0.000 0.509 855 T N 0.536 115.097 114.554 0.012 0.000 2.788 855 T HA 0.161 4.526 4.350 0.025 0.000 0.280 855 T C -0.021 174.687 174.700 0.013 0.000 0.984 855 T CA -0.970 61.137 62.100 0.011 0.000 0.972 855 T CB 0.215 69.090 68.868 0.012 0.000 1.039 855 T HN 0.501 nan 8.240 nan 0.000 0.530 856 N N 1.592 120.299 118.700 0.012 0.000 2.406 856 N HA 0.211 4.967 4.740 0.025 0.000 0.251 856 N C 0.301 175.818 175.510 0.012 0.000 1.069 856 N CA -0.451 52.606 53.050 0.012 0.000 0.947 856 N CB 1.281 39.775 38.487 0.011 0.000 1.111 856 N HN 0.883 nan 8.380 nan 0.000 0.497 857 K N 0.680 121.089 120.400 0.014 0.000 3.576 857 K HA -0.262 4.073 4.320 0.025 0.000 0.266 857 K C 0.981 177.589 176.600 0.013 0.000 0.969 857 K CA 0.904 57.198 56.287 0.011 0.000 1.137 857 K CB -1.586 30.917 32.500 0.005 0.000 1.294 857 K HN 0.539 nan 8.250 nan 0.000 0.536 858 A N 1.467 124.297 122.820 0.016 0.000 1.930 858 A HA -0.150 4.186 4.320 0.025 0.000 0.217 858 A C 1.859 179.460 177.584 0.028 0.000 1.175 858 A CA 1.769 53.818 52.037 0.020 0.000 0.627 858 A CB -0.511 18.502 19.000 0.021 0.000 0.815 858 A HN 0.434 nan 8.150 nan 0.000 0.443 859 K N 0.481 120.898 120.400 0.029 0.000 2.147 859 K HA -0.172 4.163 4.320 0.025 0.000 0.205 859 K C 1.935 178.565 176.600 0.050 0.000 1.049 859 K CA 2.143 58.452 56.287 0.036 0.000 0.936 859 K CB -0.564 31.954 32.500 0.030 0.000 0.722 859 K HN 0.577 nan 8.250 nan 0.000 0.446 860 T N -0.466 114.116 114.554 0.047 0.000 2.881 860 T HA -0.086 4.280 4.350 0.025 0.000 0.270 860 T C 2.179 176.938 174.700 0.099 0.000 1.068 860 T CA 0.871 63.011 62.100 0.066 0.000 1.131 860 T CB -0.259 68.632 68.868 0.038 0.000 0.871 860 T HN 0.186 nan 8.240 nan 0.000 0.479 861 L N 0.972 122.239 121.223 0.073 0.000 1.994 861 L HA 0.058 4.414 4.340 0.025 0.000 0.208 861 L C 3.316 180.271 176.870 0.140 0.000 1.071 861 L CA 1.502 56.397 54.840 0.093 0.000 0.745 861 L CB -0.803 41.287 42.059 0.052 0.000 0.892 861 L HN 0.388 nan 8.230 nan 0.000 0.431 862 A N -1.676 121.200 122.820 0.094 0.000 2.168 862 A HA -0.138 4.197 4.320 0.025 0.000 0.215 862 A C 2.288 179.925 177.584 0.089 0.000 1.152 862 A CA 1.755 53.840 52.037 0.079 0.000 0.716 862 A CB -0.538 18.491 19.000 0.048 0.000 0.794 862 A HN 0.366 nan 8.150 nan 0.000 0.465 863 T N -2.859 111.763 114.554 0.112 0.000 3.054 863 T HA -0.033 4.332 4.350 0.025 0.000 0.259 863 T C 1.248 176.031 174.700 0.139 0.000 1.092 863 T CA 1.121 63.282 62.100 0.102 0.000 1.121 863 T CB -0.195 68.728 68.868 0.093 0.000 0.912 863 T HN 0.736 nan 8.240 nan 0.000 0.489 864 W N 0.704 122.005 121.300 0.001 0.000 2.808 864 W HA 0.458 5.133 4.660 0.025 0.000 0.266 864 W C 2.023 178.540 176.519 -0.003 0.000 1.247 864 W CA 0.313 57.657 57.345 -0.002 0.000 1.440 864 W CB 0.067 29.524 29.460 -0.004 0.000 1.040 864 W HN 0.135 nan 8.180 nan 0.000 0.606 865 A N -0.196 122.793 122.820 0.282 0.000 2.225 865 A HA -0.108 4.228 4.320 0.025 0.000 0.215 865 A C 1.561 179.095 177.584 -0.084 0.000 1.164 865 A CA 1.946 54.073 52.037 0.149 0.000 0.710 865 A CB -0.926 18.168 19.000 0.156 0.000 0.780 865 A HN 0.256 nan 8.150 nan 0.000 0.473 866 T N -0.968 113.505 114.554 -0.136 0.000 3.065 866 T HA 0.028 4.393 4.350 0.025 0.000 0.252 866 T C 1.758 176.311 174.700 -0.245 0.000 1.099 866 T CA 0.862 62.885 62.100 -0.129 0.000 1.063 866 T CB 0.099 68.933 68.868 -0.057 0.000 0.948 866 T HN 0.653 nan 8.240 nan 0.000 0.506 867 K N 1.667 121.775 120.400 -0.485 0.000 1.973 867 K HA -0.150 4.185 4.320 0.025 0.000 0.212 867 K C 1.931 178.285 176.600 -0.410 0.000 1.047 867 K CA 1.362 57.318 56.287 -0.552 0.000 0.937 867 K CB 0.009 31.904 32.500 -1.008 0.000 0.721 867 K HN 0.074 nan 8.250 nan 0.000 0.440 868 E N 1.035 120.950 120.200 -0.476 0.000 2.153 868 E HA -0.162 4.203 4.350 0.025 0.000 0.194 868 E C 2.146 178.658 176.600 -0.148 0.000 0.988 868 E CA 0.826 57.074 56.400 -0.254 0.000 0.811 868 E CB -0.181 29.408 29.700 -0.184 0.000 0.746 868 E HN 0.428 nan 8.360 nan 0.000 0.466 869 L N -0.000 121.140 121.223 -0.138 0.000 2.201 869 L HA -0.056 4.300 4.340 0.025 0.000 0.212 869 L C 2.065 178.901 176.870 -0.057 0.000 1.105 869 L CA 0.610 55.411 54.840 -0.065 0.000 0.775 869 L CB -0.093 41.949 42.059 -0.028 0.000 0.913 869 L HN -0.094 nan 8.230 nan 0.000 0.440 870 R N 0.459 120.901 120.500 -0.096 0.000 3.863 870 R HA 0.078 4.433 4.340 0.025 0.000 0.304 870 R C 0.463 176.712 176.300 -0.085 0.000 1.485 870 R CA -0.005 56.046 56.100 -0.082 0.000 1.355 870 R CB 0.155 30.400 30.300 -0.093 0.000 1.457 870 R HN -0.021 nan 8.270 nan 0.000 0.669 871 K N 0.892 121.250 120.400 -0.070 0.000 2.520 871 K HA 0.270 4.606 4.320 0.025 0.000 0.206 871 K C -0.839 175.741 176.600 -0.032 0.000 1.122 871 K CA 0.025 56.276 56.287 -0.059 0.000 1.045 871 K CB 0.925 33.381 32.500 -0.073 0.000 0.932 871 K HN 0.280 nan 8.250 nan 0.000 0.571 872 L N 0.439 121.647 121.223 -0.025 0.000 2.565 872 L HA 0.402 4.757 4.340 0.025 0.000 0.261 872 L C -0.981 175.883 176.870 -0.009 0.000 0.932 872 L CA -0.449 54.385 54.840 -0.010 0.000 0.878 872 L CB 2.408 44.467 42.059 0.001 0.000 1.333 872 L HN -0.123 nan 8.230 nan 0.000 0.409 873 K N 0.000 120.396 120.400 -0.007 0.000 2.780 873 K HA 0.000 4.335 4.320 0.025 0.000 0.191 873 K CA 0.000 56.283 56.287 -0.006 0.000 0.838 873 K CB 0.000 32.492 32.500 -0.012 0.000 1.064 873 K HN 0.000 nan 8.250 nan 0.000 0.543