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 1ir1_1_A DATA FIRST_RESID 12 DATA SEQUENCE EFKAGVKDYK LTYYTPEYET LDTDILAAFR VSPQPGVPPE EAGAAVAAES DATA SEQUENCE STGTWTTVWT DGLTNLDRYK GRCYHIEPVA GEENQYICYV AYPLDLFEEG DATA SEQUENCE SVTNMFTSIV GNVFGFKALR ALRLEDLRIP VAYVKTFQGP PHGIQVERDK DATA SEQUENCE LNKYGRPLLG CTIKPKLGLS AKNYGRAVYE CLRGGLDFTX DDENVNSQPF DATA SEQUENCE MRWRDRFLFC AEALYKAQAE TGEIKGHYLN ATAGTCEDMM KRAVFARELG DATA SEQUENCE VPIVMHDYLT GGFTANTTLS HYCRDNGLLL HIHRAMHAVI DRQKNHGMHF DATA SEQUENCE RVLAKALRLS GGDHIHSGTV VGKLEGERDI TLGFVDLLRD DYTEKDRSRG DATA SEQUENCE IYFTQSWVST PGVLPVASGG IHVWHMPALT EIFGDDSVLQ FGGGTLGHPW DATA SEQUENCE GNAPGAVANR VALEACVQAR NEGRDLAREG NTIIREATKW SPELAAACEV DATA SEQUENCE WKEIKFEFPA MDTV 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 12 E HA 0.000 nan 4.350 nan 0.000 0.291 12 E C 0.000 176.702 176.600 0.170 0.000 1.382 12 E CA 0.000 56.459 56.400 0.099 0.000 0.976 12 E CB 0.000 29.727 29.700 0.045 0.000 0.812 13 F N 3.215 123.186 119.950 0.034 0.000 2.385 13 F HA 0.570 5.098 4.527 0.001 0.000 0.360 13 F C -0.697 175.119 175.800 0.026 0.000 1.122 13 F CA -0.766 57.264 58.000 0.051 0.000 1.090 13 F CB 0.787 39.842 39.000 0.092 0.000 1.150 13 F HN 0.174 nan 8.300 nan 0.000 0.472 14 K N 5.490 125.568 120.400 -0.537 0.000 2.483 14 K HA 0.693 5.013 4.320 0.001 0.000 0.256 14 K C -0.868 175.291 176.600 -0.734 0.000 0.961 14 K CA -0.506 55.437 56.287 -0.574 0.000 0.873 14 K CB 1.188 33.544 32.500 -0.240 0.000 1.107 14 K HN 0.706 nan 8.250 nan 0.000 0.432 15 A N 2.477 124.778 122.820 -0.866 0.000 2.425 15 A HA 0.672 4.992 4.320 0.001 0.000 0.242 15 A C 0.449 177.892 177.584 -0.235 0.000 1.077 15 A CA 0.825 52.563 52.037 -0.498 0.000 0.781 15 A CB -0.222 18.598 19.000 -0.300 0.000 1.020 15 A HN 1.073 nan 8.150 nan 0.000 0.494 16 G N -1.091 107.621 108.800 -0.148 0.000 2.357 16 G HA2 0.381 4.341 3.960 0.001 0.000 0.643 16 G HA3 0.381 4.341 3.960 0.001 0.000 0.643 16 G C -1.048 173.784 174.900 -0.113 0.000 1.358 16 G CA -0.408 44.628 45.100 -0.107 0.000 0.986 16 G HN 1.387 nan 8.290 nan 0.000 0.620 17 V N 1.022 120.892 119.914 -0.073 0.000 2.509 17 V HA 0.655 4.776 4.120 0.001 0.000 0.284 17 V C 0.493 176.547 176.094 -0.067 0.000 1.047 17 V CA -0.132 62.124 62.300 -0.073 0.000 0.952 17 V CB 1.376 33.210 31.823 0.019 0.000 0.988 17 V HN 0.791 nan 8.190 nan 0.000 0.469 18 K N 1.935 122.276 120.400 -0.097 0.000 2.444 18 K HA 0.488 4.809 4.320 0.001 0.000 0.252 18 K C -1.330 175.201 176.600 -0.115 0.000 0.993 18 K CA -1.081 55.161 56.287 -0.075 0.000 0.847 18 K CB 1.671 34.141 32.500 -0.051 0.000 1.340 18 K HN 0.533 nan 8.250 nan 0.000 0.446 19 D N 0.811 121.177 120.400 -0.056 0.000 2.399 19 D HA 0.002 4.642 4.640 0.001 0.000 0.241 19 D C 0.753 177.060 176.300 0.012 0.000 1.133 19 D CA 0.368 54.347 54.000 -0.035 0.000 0.890 19 D CB 0.451 41.266 40.800 0.025 0.000 1.201 19 D HN 0.449 nan 8.370 nan 0.000 0.432 20 Y N 1.065 121.424 120.300 0.098 0.000 2.274 20 Y HA -0.192 4.359 4.550 0.001 0.000 0.290 20 Y C 2.356 178.379 175.900 0.205 0.000 1.145 20 Y CA 1.085 59.284 58.100 0.166 0.000 1.203 20 Y CB -0.256 38.241 38.460 0.062 0.000 0.984 20 Y HN 0.458 nan 8.280 nan 0.000 0.533 21 K N 0.399 120.961 120.400 0.269 0.000 2.280 21 K HA -0.140 4.180 4.320 0.001 0.000 0.202 21 K C 1.564 178.285 176.600 0.201 0.000 1.047 21 K CA 1.604 58.026 56.287 0.224 0.000 0.942 21 K CB -0.712 31.851 32.500 0.105 0.000 0.739 21 K HN 0.340 nan 8.250 nan 0.000 0.457 22 L N 1.065 122.369 121.223 0.136 0.000 2.191 22 L HA -0.089 4.251 4.340 0.001 0.000 0.212 22 L C 1.602 178.488 176.870 0.026 0.000 1.103 22 L CA 1.266 56.151 54.840 0.075 0.000 0.769 22 L CB -0.412 41.672 42.059 0.042 0.000 0.908 22 L HN 0.338 nan 8.230 nan 0.000 0.438 23 T N -3.088 111.471 114.554 0.009 0.000 2.987 23 T HA 0.057 4.408 4.350 0.001 0.000 0.248 23 T C 1.046 175.523 174.700 -0.372 0.000 0.997 23 T CA 0.164 62.129 62.100 -0.225 0.000 1.013 23 T CB 0.142 68.771 68.868 -0.398 0.000 1.077 23 T HN 0.114 nan 8.240 nan 0.000 0.483 24 Y N -0.002 120.351 120.300 0.088 0.000 2.458 24 Y HA 0.401 4.951 4.550 0.001 0.000 0.256 24 Y C 0.036 176.001 175.900 0.109 0.000 1.159 24 Y CA -1.042 57.096 58.100 0.064 0.000 1.261 24 Y CB 0.308 38.799 38.460 0.052 0.000 1.119 24 Y HN 0.181 nan 8.280 nan 0.000 0.524 25 Y N 2.068 122.423 120.300 0.092 0.000 2.417 25 Y HA 0.422 4.973 4.550 0.001 0.000 0.336 25 Y C -0.095 175.836 175.900 0.051 0.000 0.961 25 Y CA -1.665 56.473 58.100 0.064 0.000 1.215 25 Y CB 0.694 39.182 38.460 0.047 0.000 1.120 25 Y HN 0.033 nan 8.280 nan 0.000 0.499 26 T N 5.677 120.059 114.554 -0.287 0.000 3.317 26 T HA 0.269 4.620 4.350 0.001 0.000 0.361 26 T C -2.301 172.270 174.700 -0.214 0.000 1.499 26 T CA -1.816 60.138 62.100 -0.244 0.000 1.529 26 T CB 1.098 69.912 68.868 -0.091 0.000 0.997 26 T HN 0.471 nan 8.240 nan 0.000 0.624 27 P HA -0.113 nan 4.420 nan 0.000 0.228 27 P C 1.081 178.385 177.300 0.007 0.000 1.151 27 P CA 0.960 63.941 63.100 -0.199 0.000 0.770 27 P CB 0.336 31.860 31.700 -0.295 0.000 0.786 28 E N -0.902 119.295 120.200 -0.004 0.000 2.474 28 E HA -0.088 4.263 4.350 0.001 0.000 0.195 28 E C 0.183 176.820 176.600 0.063 0.000 1.039 28 E CA -0.621 55.795 56.400 0.027 0.000 0.881 28 E CB -0.967 28.735 29.700 0.004 0.000 0.970 28 E HN 0.229 nan 8.360 nan 0.000 0.486 29 Y N 2.727 123.008 120.300 -0.031 0.000 2.526 29 Y HA 0.108 4.658 4.550 0.001 0.000 0.330 29 Y C -0.133 175.704 175.900 -0.105 0.000 1.156 29 Y CA -0.211 57.853 58.100 -0.061 0.000 1.419 29 Y CB 0.562 38.989 38.460 -0.055 0.000 1.250 29 Y HN -0.122 nan 8.280 nan 0.000 0.540 30 E N 4.330 124.083 120.200 -0.746 0.000 2.134 30 E HA 0.179 4.530 4.350 0.001 0.000 0.278 30 E C -0.278 175.651 176.600 -1.117 0.000 0.959 30 E CA -0.695 55.301 56.400 -0.673 0.000 0.783 30 E CB 0.850 30.319 29.700 -0.384 0.000 1.095 30 E HN 0.741 nan 8.360 nan 0.000 0.399 31 T N 0.647 114.695 114.554 -0.843 0.000 2.932 31 T HA 0.165 4.516 4.350 0.001 0.000 0.312 31 T C 0.177 174.654 174.700 -0.373 0.000 1.071 31 T CA -0.657 61.069 62.100 -0.624 0.000 1.128 31 T CB 0.451 69.062 68.868 -0.429 0.000 0.984 31 T HN 0.059 nan 8.240 nan 0.000 0.549 32 L N 2.032 123.131 121.223 -0.207 0.000 2.375 32 L HA 0.368 4.709 4.340 0.001 0.000 0.268 32 L C 1.375 178.197 176.870 -0.081 0.000 1.058 32 L CA -0.198 54.573 54.840 -0.115 0.000 0.803 32 L CB 0.985 43.022 42.059 -0.036 0.000 1.212 32 L HN 0.716 nan 8.230 nan 0.000 0.451 33 D N -0.204 120.158 120.400 -0.063 0.000 2.371 33 D HA -0.086 4.554 4.640 0.001 0.000 0.221 33 D C 1.352 177.633 176.300 -0.032 0.000 0.986 33 D CA 1.223 55.195 54.000 -0.047 0.000 0.899 33 D CB 0.261 41.040 40.800 -0.034 0.000 0.902 33 D HN 0.758 nan 8.370 nan 0.000 0.530 34 T N -2.721 111.824 114.554 -0.016 0.000 3.069 34 T HA 0.051 4.401 4.350 0.001 0.000 0.252 34 T C 0.524 175.232 174.700 0.012 0.000 1.053 34 T CA -0.512 61.591 62.100 0.006 0.000 0.964 34 T CB 0.563 69.445 68.868 0.023 0.000 1.005 34 T HN -0.239 nan 8.240 nan 0.000 0.532 35 D N 1.545 121.949 120.400 0.007 0.000 2.341 35 D HA 0.391 5.031 4.640 0.001 0.000 0.245 35 D C -0.369 175.923 176.300 -0.013 0.000 1.106 35 D CA -0.499 53.525 54.000 0.041 0.000 0.905 35 D CB 0.926 41.760 40.800 0.056 0.000 1.202 35 D HN 0.164 nan 8.370 nan 0.000 0.426 36 I N 2.002 122.594 120.570 0.037 0.000 2.315 36 I HA 0.162 4.332 4.170 0.001 0.000 0.291 36 I C -0.075 176.077 176.117 0.059 0.000 1.006 36 I CA -0.197 61.060 61.300 -0.071 0.000 1.265 36 I CB 0.688 38.532 38.000 -0.259 0.000 1.387 36 I HN 0.053 nan 8.210 nan 0.000 0.475 37 L N 6.160 127.292 121.223 -0.151 0.000 2.325 37 L HA 0.884 5.225 4.340 0.001 0.000 0.278 37 L C -0.013 176.745 176.870 -0.187 0.000 1.023 37 L CA -0.731 54.003 54.840 -0.178 0.000 0.811 37 L CB 1.510 43.230 42.059 -0.564 0.000 1.249 37 L HN 0.652 nan 8.230 nan 0.000 0.431 38 A N 2.078 124.988 122.820 0.150 0.000 2.414 38 A HA 0.871 5.191 4.320 0.001 0.000 0.306 38 A C -0.817 176.852 177.584 0.141 0.000 1.054 38 A CA -0.542 51.561 52.037 0.110 0.000 0.724 38 A CB 1.795 20.825 19.000 0.050 0.000 1.267 38 A HN 0.744 nan 8.150 nan 0.000 0.418 39 A N 1.791 124.558 122.820 -0.088 0.000 2.293 39 A HA 0.727 5.047 4.320 0.001 0.000 0.312 39 A C -1.151 176.111 177.584 -0.537 0.000 1.309 39 A CA -0.274 51.497 52.037 -0.443 0.000 0.839 39 A CB -0.151 18.376 19.000 -0.789 0.000 1.155 39 A HN 0.613 nan 8.150 nan 0.000 0.501 40 F N 1.109 120.892 119.950 -0.278 0.000 2.421 40 F HA 0.519 5.046 4.527 0.001 0.000 0.337 40 F C 0.951 176.622 175.800 -0.216 0.000 1.105 40 F CA -0.359 57.515 58.000 -0.211 0.000 1.049 40 F CB 1.717 40.612 39.000 -0.175 0.000 1.139 40 F HN 0.595 nan 8.300 nan 0.000 0.479 41 R N 3.266 123.786 120.500 0.034 0.000 2.230 41 R HA 0.557 4.897 4.340 0.001 0.000 0.337 41 R C -1.750 174.566 176.300 0.026 0.000 1.063 41 R CA -0.272 55.836 56.100 0.014 0.000 0.935 41 R CB 0.431 30.741 30.300 0.016 0.000 1.121 41 R HN 0.546 nan 8.270 nan 0.000 0.486 42 V N 3.442 123.378 119.914 0.036 0.000 2.394 42 V HA 0.278 4.399 4.120 0.001 0.000 0.282 42 V C -0.173 175.966 176.094 0.074 0.000 1.031 42 V CA -0.515 61.791 62.300 0.009 0.000 0.881 42 V CB 1.812 33.614 31.823 -0.035 0.000 0.982 42 V HN 0.726 nan 8.190 nan 0.000 0.451 43 S N 6.809 122.535 115.700 0.044 0.000 2.516 43 S HA 0.439 4.910 4.470 0.001 0.000 0.268 43 S C -2.584 172.049 174.600 0.054 0.000 1.251 43 S CA -0.981 57.260 58.200 0.068 0.000 1.153 43 S CB 1.142 64.376 63.200 0.058 0.000 1.009 43 S HN 0.560 nan 8.310 nan 0.000 0.479 44 P HA 0.163 nan 4.420 nan 0.000 0.274 44 P C -0.098 177.227 177.300 0.042 0.000 1.237 44 P CA -0.545 62.576 63.100 0.035 0.000 0.793 44 P CB 0.502 32.214 31.700 0.019 0.000 0.977 45 Q N 1.453 121.272 119.800 0.032 0.000 2.417 45 Q HA 0.222 4.562 4.340 0.001 0.000 0.241 45 Q C -2.057 173.961 176.000 0.030 0.000 1.008 45 Q CA -1.526 54.296 55.803 0.031 0.000 0.901 45 Q CB -0.687 28.069 28.738 0.030 0.000 1.259 45 Q HN 0.307 nan 8.270 nan 0.000 0.489 46 P HA 0.021 nan 4.420 nan 0.000 0.264 46 P C 0.409 177.722 177.300 0.021 0.000 1.193 46 P CA 0.993 64.109 63.100 0.026 0.000 0.763 46 P CB 0.358 32.070 31.700 0.021 0.000 0.810 47 G N 1.346 110.157 108.800 0.019 0.000 2.194 47 G HA2 -0.196 3.764 3.960 0.001 0.000 0.236 47 G HA3 -0.196 3.764 3.960 0.001 0.000 0.236 47 G C -0.048 174.855 174.900 0.005 0.000 0.987 47 G CA -0.213 44.895 45.100 0.012 0.000 0.635 47 G HN 0.518 nan 8.290 nan 0.000 0.520 48 V N 2.739 122.655 119.914 0.003 0.000 2.364 48 V HA 0.462 4.583 4.120 0.001 0.000 0.272 48 V C -1.563 174.501 176.094 -0.050 0.000 1.036 48 V CA -1.524 60.769 62.300 -0.012 0.000 0.880 48 V CB 1.371 33.193 31.823 -0.002 0.000 0.991 48 V HN 0.135 nan 8.190 nan 0.000 0.460 49 P HA 0.138 nan 4.420 nan 0.000 0.269 49 P C -1.793 175.364 177.300 -0.239 0.000 1.209 49 P CA -1.175 61.839 63.100 -0.142 0.000 0.776 49 P CB 0.257 31.879 31.700 -0.130 0.000 0.876 50 P HA -0.180 nan 4.420 nan 0.000 0.218 50 P C 0.860 177.886 177.300 -0.456 0.000 1.148 50 P CA 1.547 64.305 63.100 -0.571 0.000 0.822 50 P CB 0.244 31.237 31.700 -1.178 0.000 0.784 51 E N 0.212 120.123 120.200 -0.482 0.000 2.077 51 E HA -0.194 4.156 4.350 0.001 0.000 0.193 51 E C 2.120 178.486 176.600 -0.390 0.000 0.989 51 E CA 1.205 57.212 56.400 -0.655 0.000 0.800 51 E CB -0.733 28.483 29.700 -0.807 0.000 0.746 51 E HN 0.267 nan 8.360 nan 0.000 0.452 52 E N 0.415 120.474 120.200 -0.236 0.000 2.072 52 E HA -0.035 4.316 4.350 0.001 0.000 0.190 52 E C 1.851 178.385 176.600 -0.110 0.000 0.982 52 E CA 1.250 57.595 56.400 -0.092 0.000 0.803 52 E CB -0.334 29.347 29.700 -0.032 0.000 0.755 52 E HN 0.203 nan 8.360 nan 0.000 0.453 53 A N 0.209 122.929 122.820 -0.166 0.000 1.902 53 A HA -0.037 4.284 4.320 0.001 0.000 0.217 53 A C 2.463 179.889 177.584 -0.264 0.000 1.181 53 A CA 1.803 53.722 52.037 -0.196 0.000 0.623 53 A CB -1.335 17.560 19.000 -0.174 0.000 0.818 53 A HN 0.406 nan 8.150 nan 0.000 0.443 54 G N -0.590 108.066 108.800 -0.241 0.000 2.418 54 G HA2 0.023 3.983 3.960 0.001 0.000 0.217 54 G HA3 0.023 3.983 3.960 0.001 0.000 0.217 54 G C 1.731 176.518 174.900 -0.188 0.000 1.158 54 G CA 1.401 46.376 45.100 -0.208 0.000 0.771 54 G HN 0.798 nan 8.290 nan 0.000 0.545 55 A N 1.100 123.845 122.820 -0.125 0.000 1.933 55 A HA 0.299 4.619 4.320 0.001 0.000 0.218 55 A C 2.788 180.191 177.584 -0.301 0.000 1.175 55 A CA 2.141 54.158 52.037 -0.034 0.000 0.628 55 A CB -0.680 18.401 19.000 0.135 0.000 0.814 55 A HN 0.736 nan 8.150 nan 0.000 0.444 56 A N -0.538 121.983 122.820 -0.499 0.000 1.898 56 A HA 0.023 4.343 4.320 0.001 0.000 0.216 56 A C 2.218 179.205 177.584 -0.995 0.000 1.181 56 A CA 1.708 53.077 52.037 -1.114 0.000 0.620 56 A CB -0.883 17.576 19.000 -0.903 0.000 0.819 56 A HN 0.365 nan 8.150 nan 0.000 0.442 57 V N -0.077 119.399 119.914 -0.730 0.000 2.295 57 V HA -0.259 3.862 4.120 0.001 0.000 0.246 57 V C 3.068 178.861 176.094 -0.502 0.000 1.049 57 V CA 1.992 63.871 62.300 -0.702 0.000 1.024 57 V CB -1.272 30.076 31.823 -0.790 0.000 0.648 57 V HN 0.614 nan 8.190 nan 0.000 0.447 58 A N -0.076 122.514 122.820 -0.382 0.000 1.902 58 A HA -0.128 4.193 4.320 0.001 0.000 0.217 58 A C 2.425 179.803 177.584 -0.343 0.000 1.181 58 A CA 2.230 54.126 52.037 -0.235 0.000 0.623 58 A CB -0.832 18.103 19.000 -0.109 0.000 0.818 58 A HN 0.570 nan 8.150 nan 0.000 0.443 59 A N -0.260 122.127 122.820 -0.722 0.000 1.845 59 A HA -0.146 4.175 4.320 0.001 0.000 0.215 59 A C 1.786 179.034 177.584 -0.561 0.000 1.195 59 A CA 1.525 52.861 52.037 -1.169 0.000 0.616 59 A CB -0.495 17.669 19.000 -1.393 0.000 0.832 59 A HN 0.483 nan 8.150 nan 0.000 0.443 60 E N 0.475 120.373 120.200 -0.503 0.000 2.511 60 E HA -0.037 4.314 4.350 0.001 0.000 0.196 60 E C 1.142 177.681 176.600 -0.102 0.000 1.066 60 E CA 0.867 57.127 56.400 -0.233 0.000 0.871 60 E CB -0.145 29.401 29.700 -0.256 0.000 0.863 60 E HN 0.709 nan 8.360 nan 0.000 0.520 61 S N -1.293 114.360 115.700 -0.079 0.000 2.650 61 S HA 0.156 4.626 4.470 0.001 0.000 0.240 61 S C 1.282 175.969 174.600 0.145 0.000 1.007 61 S CA 0.170 58.413 58.200 0.072 0.000 0.984 61 S CB 0.404 63.709 63.200 0.176 0.000 0.910 61 S HN 0.143 nan 8.310 nan 0.000 0.509 62 S N 1.437 117.183 115.700 0.078 0.000 4.567 62 S HA 0.173 4.643 4.470 0.001 0.000 0.167 62 S C 1.366 175.991 174.600 0.042 0.000 1.007 62 S CA 0.618 58.881 58.200 0.104 0.000 1.212 62 S CB -0.193 63.136 63.200 0.215 0.000 1.741 62 S HN 0.540 nan 8.310 nan 0.000 0.689 63 T N -1.076 113.517 114.554 0.065 0.000 2.966 63 T HA 0.484 4.835 4.350 0.001 0.000 0.254 63 T C 0.884 175.639 174.700 0.091 0.000 0.961 63 T CA 0.452 62.602 62.100 0.084 0.000 0.915 63 T CB 0.079 69.047 68.868 0.167 0.000 1.186 63 T HN 0.720 nan 8.240 nan 0.000 0.505 64 G N 0.328 109.156 108.800 0.046 0.000 2.511 64 G HA2 0.570 4.531 3.960 0.001 0.000 0.316 64 G HA3 0.570 4.531 3.960 0.001 0.000 0.316 64 G C -0.857 174.110 174.900 0.112 0.000 1.210 64 G CA -0.227 44.932 45.100 0.099 0.000 0.969 64 G HN 0.318 nan 8.290 nan 0.000 0.492 65 T N -1.551 113.108 114.554 0.174 0.000 2.669 65 T HA 0.393 4.743 4.350 0.001 0.000 0.283 65 T C 0.686 175.555 174.700 0.282 0.000 1.019 65 T CA -0.374 61.870 62.100 0.240 0.000 1.039 65 T CB 0.816 69.766 68.868 0.135 0.000 1.374 65 T HN 0.692 nan 8.240 nan 0.000 0.523 66 W N 0.893 122.308 121.300 0.192 0.000 2.595 66 W HA 0.252 4.912 4.660 0.001 0.000 0.257 66 W C 0.319 176.828 176.519 -0.017 0.000 1.267 66 W CA 0.665 58.071 57.345 0.101 0.000 1.300 66 W CB -1.163 28.364 29.460 0.112 0.000 1.120 66 W HN 0.554 nan 8.180 nan 0.000 0.618 67 T N 0.669 114.758 114.554 -0.775 0.000 2.883 67 T HA 0.348 4.699 4.350 0.001 0.000 0.296 67 T C -0.454 174.025 174.700 -0.368 0.000 1.117 67 T CA -0.351 61.328 62.100 -0.702 0.000 1.006 67 T CB 1.765 69.859 68.868 -1.289 0.000 1.191 67 T HN -0.213 nan 8.240 nan 0.000 0.508 68 T N 2.328 116.769 114.554 -0.188 0.000 2.901 68 T HA 0.488 4.838 4.350 0.001 0.000 0.301 68 T C 0.059 174.830 174.700 0.119 0.000 1.012 68 T CA -0.386 61.714 62.100 0.000 0.000 1.135 68 T CB 0.295 69.204 68.868 0.068 0.000 0.936 68 T HN 0.691 nan 8.240 nan 0.000 0.539 69 V N 2.575 122.537 119.914 0.079 0.000 2.604 69 V HA 0.479 4.600 4.120 0.001 0.000 0.305 69 V C 1.087 177.054 176.094 -0.212 0.000 1.043 69 V CA -1.213 61.054 62.300 -0.056 0.000 0.888 69 V CB 1.459 33.157 31.823 -0.208 0.000 0.995 69 V HN 1.051 nan 8.190 nan 0.000 0.429 70 W N 2.592 123.451 121.300 -0.734 0.000 2.425 70 W HA -0.110 4.550 4.660 0.001 0.000 0.277 70 W C 1.442 177.735 176.519 -0.377 0.000 1.231 70 W CA 1.563 58.340 57.345 -0.947 0.000 1.248 70 W CB -1.717 26.896 29.460 -1.413 0.000 1.117 70 W HN 0.775 nan 8.180 nan 0.000 0.568 71 T N -0.997 112.864 114.554 -1.155 0.000 2.977 71 T HA -0.228 4.122 4.350 0.001 0.000 0.271 71 T C 1.090 175.551 174.700 -0.399 0.000 1.105 71 T CA 1.668 63.176 62.100 -0.986 0.000 1.116 71 T CB -0.591 67.665 68.868 -1.021 0.000 0.878 71 T HN -0.071 nan 8.240 nan 0.000 0.509 72 D N 1.996 122.247 120.400 -0.249 0.000 2.149 72 D HA -0.005 4.635 4.640 0.001 0.000 0.198 72 D C 2.315 178.589 176.300 -0.044 0.000 0.990 72 D CA 1.305 55.245 54.000 -0.101 0.000 0.839 72 D CB -0.887 39.894 40.800 -0.032 0.000 0.948 72 D HN 0.602 nan 8.370 nan 0.000 0.460 73 G N -0.077 108.713 108.800 -0.017 0.000 2.625 73 G HA2 -0.108 3.853 3.960 0.001 0.000 0.214 73 G HA3 -0.108 3.853 3.960 0.001 0.000 0.214 73 G C 1.486 176.408 174.900 0.036 0.000 1.132 73 G CA -0.001 45.122 45.100 0.038 0.000 0.782 73 G HN 0.272 nan 8.290 nan 0.000 0.538 74 L N -0.432 120.788 121.223 -0.005 0.000 2.418 74 L HA 0.179 4.520 4.340 0.001 0.000 0.218 74 L C 1.568 178.444 176.870 0.010 0.000 1.125 74 L CA 0.441 55.284 54.840 0.006 0.000 0.835 74 L CB 0.144 42.178 42.059 -0.040 0.000 0.953 74 L HN 0.215 nan 8.230 nan 0.000 0.454 75 T N -1.588 112.974 114.554 0.013 0.000 2.773 75 T HA 0.249 4.599 4.350 0.001 0.000 0.278 75 T C -0.801 173.953 174.700 0.090 0.000 1.011 75 T CA -0.618 61.523 62.100 0.068 0.000 1.014 75 T CB 1.682 70.589 68.868 0.064 0.000 1.293 75 T HN -0.113 nan 8.240 nan 0.000 0.554 76 N N 2.440 121.229 118.700 0.149 0.000 2.699 76 N HA 0.218 4.958 4.740 0.001 0.000 0.232 76 N C 0.658 176.226 175.510 0.097 0.000 1.027 76 N CA -0.423 52.667 53.050 0.067 0.000 0.920 76 N CB 0.362 38.841 38.487 -0.012 0.000 1.148 76 N HN 0.465 nan 8.380 nan 0.000 0.509 77 L N 2.300 123.571 121.223 0.080 0.000 2.187 77 L HA -0.068 4.273 4.340 0.001 0.000 0.213 77 L C 1.419 178.290 176.870 0.001 0.000 1.100 77 L CA 1.490 56.378 54.840 0.080 0.000 0.765 77 L CB -0.159 41.913 42.059 0.023 0.000 0.904 77 L HN 0.506 nan 8.230 nan 0.000 0.437 78 D N -0.426 119.942 120.400 -0.054 0.000 2.178 78 D HA -0.181 4.460 4.640 0.001 0.000 0.201 78 D C 2.052 178.274 176.300 -0.130 0.000 0.980 78 D CA 1.227 55.169 54.000 -0.097 0.000 0.842 78 D CB 0.068 40.818 40.800 -0.083 0.000 0.948 78 D HN 0.542 nan 8.370 nan 0.000 0.472 79 R N -0.947 119.431 120.500 -0.203 0.000 2.276 79 R HA 0.013 4.354 4.340 0.001 0.000 0.196 79 R C 1.084 177.146 176.300 -0.396 0.000 0.961 79 R CA 0.561 56.462 56.100 -0.332 0.000 1.024 79 R CB -0.148 29.864 30.300 -0.481 0.000 0.940 79 R HN 0.180 nan 8.270 nan 0.000 0.480 80 Y N 2.041 122.324 120.300 -0.028 0.000 2.535 80 Y HA 0.191 4.742 4.550 0.001 0.000 0.264 80 Y C 0.372 176.273 175.900 0.003 0.000 1.087 80 Y CA -0.719 57.371 58.100 -0.018 0.000 1.285 80 Y CB 0.289 38.736 38.460 -0.022 0.000 1.200 80 Y HN -0.019 nan 8.280 nan 0.000 0.514 81 K N 1.292 121.776 120.400 0.140 0.000 2.436 81 K HA 0.326 4.647 4.320 0.001 0.000 0.275 81 K C 0.563 177.220 176.600 0.096 0.000 0.999 81 K CA 0.197 56.580 56.287 0.160 0.000 0.980 81 K CB 0.599 33.138 32.500 0.065 0.000 0.919 81 K HN 0.136 nan 8.250 nan 0.000 0.484 82 G N 2.140 111.036 108.800 0.160 0.000 2.507 82 G HA2 0.365 4.325 3.960 0.001 0.000 0.271 82 G HA3 0.365 4.325 3.960 0.001 0.000 0.271 82 G C -0.816 174.082 174.900 -0.004 0.000 1.189 82 G CA -1.075 44.001 45.100 -0.040 0.000 0.859 82 G HN 0.824 nan 8.290 nan 0.000 0.542 83 R N -0.365 120.058 120.500 -0.128 0.000 2.584 83 R HA 0.421 4.762 4.340 0.001 0.000 0.276 83 R C -1.563 174.796 176.300 0.098 0.000 1.046 83 R CA -0.778 55.313 56.100 -0.015 0.000 0.906 83 R CB 0.708 30.905 30.300 -0.173 0.000 1.215 83 R HN 0.490 nan 8.270 nan 0.000 0.449 84 C N 5.044 124.434 119.300 0.150 0.000 2.442 84 C HA 0.330 4.791 4.460 0.001 0.000 0.362 84 C C 0.695 175.831 174.990 0.244 0.000 1.242 84 C CA -0.454 58.679 59.018 0.193 0.000 1.741 84 C CB -1.463 26.403 27.740 0.211 0.000 2.378 84 C HN 0.932 nan 8.230 nan 0.000 0.549 85 Y N 2.708 123.133 120.300 0.210 0.000 2.444 85 Y HA 0.481 5.031 4.550 0.001 0.000 0.249 85 Y C 0.442 176.503 175.900 0.268 0.000 1.134 85 Y CA -0.238 57.970 58.100 0.180 0.000 1.261 85 Y CB -0.514 38.102 38.460 0.259 0.000 1.143 85 Y HN 0.763 nan 8.280 nan 0.000 0.523 86 H N 0.111 119.087 119.070 -0.157 0.000 3.085 86 H HA 0.661 5.217 4.556 0.001 0.000 0.356 86 H C -2.011 173.419 175.328 0.170 0.000 1.178 86 H CA -1.405 54.634 56.048 -0.016 0.000 1.214 86 H CB 1.522 31.149 29.762 -0.225 0.000 1.881 86 H HN 0.131 nan 8.280 nan 0.000 0.538 87 I N 3.907 124.251 120.570 -0.376 0.000 2.569 87 I HA 0.321 4.491 4.170 0.001 0.000 0.290 87 I C -1.167 174.824 176.117 -0.210 0.000 1.088 87 I CA -0.600 60.616 61.300 -0.139 0.000 1.047 87 I CB 2.190 40.140 38.000 -0.082 0.000 1.237 87 I HN 0.633 nan 8.210 nan 0.000 0.421 88 E N 5.943 126.182 120.200 0.066 0.000 2.314 88 E HA 0.624 4.974 4.350 0.001 0.000 0.272 88 E C -2.951 173.771 176.600 0.204 0.000 0.884 88 E CA -2.309 54.169 56.400 0.130 0.000 0.753 88 E CB 2.189 32.013 29.700 0.206 0.000 1.213 88 E HN 0.114 nan 8.360 nan 0.000 0.432 89 P HA 0.065 nan 4.420 nan 0.000 0.274 89 P C -0.765 176.503 177.300 -0.054 0.000 1.237 89 P CA -0.491 62.585 63.100 -0.040 0.000 0.793 89 P CB 0.660 32.330 31.700 -0.049 0.000 0.977 90 V N 1.651 121.473 119.914 -0.152 0.000 2.394 90 V HA 0.452 4.572 4.120 0.001 0.000 0.282 90 V C 0.515 176.565 176.094 -0.073 0.000 1.031 90 V CA -0.839 61.419 62.300 -0.070 0.000 0.881 90 V CB 0.796 32.578 31.823 -0.068 0.000 0.982 90 V HN 0.667 nan 8.190 nan 0.000 0.451 91 A N 4.000 126.801 122.820 -0.031 0.000 2.520 91 A HA 0.504 4.824 4.320 0.001 0.000 0.245 91 A C 1.563 179.131 177.584 -0.028 0.000 1.072 91 A CA 0.640 52.661 52.037 -0.027 0.000 0.761 91 A CB -0.489 18.505 19.000 -0.010 0.000 1.004 91 A HN 2.147 nan 8.150 nan 0.000 0.499 92 G N 1.278 110.059 108.800 -0.031 0.000 2.189 92 G HA2 -0.255 3.706 3.960 0.001 0.000 0.267 92 G HA3 -0.255 3.706 3.960 0.001 0.000 0.267 92 G C 0.185 175.066 174.900 -0.032 0.000 0.975 92 G CA 0.944 46.029 45.100 -0.025 0.000 0.644 92 G HN 1.065 nan 8.290 nan 0.000 0.537 93 E N 0.654 120.823 120.200 -0.052 0.000 2.191 93 E HA 0.558 4.908 4.350 0.001 0.000 0.278 93 E C 0.082 176.630 176.600 -0.087 0.000 0.972 93 E CA -0.733 55.633 56.400 -0.057 0.000 0.804 93 E CB 0.709 30.374 29.700 -0.058 0.000 1.110 93 E HN 0.342 nan 8.360 nan 0.000 0.394 94 E N 3.830 123.995 120.200 -0.060 0.000 2.259 94 E HA 0.061 4.411 4.350 0.001 0.000 0.281 94 E C -0.525 176.032 176.600 -0.071 0.000 1.037 94 E CA -0.189 56.175 56.400 -0.059 0.000 0.854 94 E CB 0.288 29.974 29.700 -0.024 0.000 1.051 94 E HN 0.593 nan 8.360 nan 0.000 0.409 95 N N 3.040 121.680 118.700 -0.100 0.000 2.725 95 N HA -0.254 4.486 4.740 0.001 0.000 0.251 95 N C -1.576 173.884 175.510 -0.084 0.000 1.031 95 N CA 1.160 54.184 53.050 -0.044 0.000 0.720 95 N CB -0.660 37.863 38.487 0.061 0.000 0.930 95 N HN 0.654 nan 8.380 nan 0.000 0.543 96 Q N 0.455 120.039 119.800 -0.360 0.000 2.347 96 Q HA 0.555 4.895 4.340 0.001 0.000 0.271 96 Q C -1.406 174.291 176.000 -0.505 0.000 1.064 96 Q CA -0.702 54.965 55.803 -0.226 0.000 0.800 96 Q CB 1.123 29.793 28.738 -0.113 0.000 1.304 96 Q HN 0.280 nan 8.270 nan 0.000 0.438 97 Y N 1.425 121.719 120.300 -0.010 0.000 2.609 97 Y HA 0.506 5.056 4.550 0.001 0.000 0.342 97 Y C -0.448 175.442 175.900 -0.016 0.000 1.058 97 Y CA -1.125 56.969 58.100 -0.010 0.000 1.055 97 Y CB 1.415 39.857 38.460 -0.029 0.000 1.292 97 Y HN 0.447 nan 8.280 nan 0.000 0.476 98 I N 2.163 122.828 120.570 0.158 0.000 2.330 98 I HA 0.266 4.437 4.170 0.001 0.000 0.289 98 I C -0.785 175.329 176.117 -0.004 0.000 1.001 98 I CA -0.676 60.635 61.300 0.019 0.000 1.193 98 I CB 0.486 38.503 38.000 0.028 0.000 1.345 98 I HN 0.578 nan 8.210 nan 0.000 0.461 99 C N 7.121 126.387 119.300 -0.056 0.000 2.303 99 C HA 0.470 4.930 4.460 0.001 0.000 0.326 99 C C -0.070 174.882 174.990 -0.063 0.000 1.285 99 C CA -0.709 58.308 59.018 -0.001 0.000 1.675 99 C CB -0.006 27.735 27.740 0.002 0.000 2.289 99 C HN 0.489 nan 8.230 nan 0.000 0.512 100 Y N 2.009 122.292 120.300 -0.028 0.000 2.326 100 Y HA 0.538 5.088 4.550 0.001 0.000 0.337 100 Y C 0.342 176.153 175.900 -0.147 0.000 1.023 100 Y CA -0.308 57.726 58.100 -0.111 0.000 1.143 100 Y CB 0.771 38.966 38.460 -0.443 0.000 1.183 100 Y HN 0.403 nan 8.280 nan 0.000 0.485 101 V N 3.056 123.139 119.914 0.281 0.000 2.604 101 V HA 0.806 4.926 4.120 0.001 0.000 0.305 101 V C -0.326 175.912 176.094 0.240 0.000 1.043 101 V CA -1.103 61.333 62.300 0.226 0.000 0.888 101 V CB 1.641 33.538 31.823 0.124 0.000 0.995 101 V HN 0.851 nan 8.190 nan 0.000 0.429 102 A N 4.139 127.052 122.820 0.155 0.000 2.317 102 A HA 0.869 5.189 4.320 0.001 0.000 0.327 102 A C -1.486 175.981 177.584 -0.195 0.000 1.178 102 A CA -0.385 51.691 52.037 0.065 0.000 0.817 102 A CB 0.666 19.742 19.000 0.126 0.000 1.189 102 A HN 0.741 nan 8.150 nan 0.000 0.489 103 Y N 2.164 122.571 120.300 0.178 0.000 2.331 103 Y HA 0.429 4.979 4.550 0.001 0.000 0.334 103 Y C -2.373 173.648 175.900 0.203 0.000 0.960 103 Y CA -2.362 55.863 58.100 0.209 0.000 1.130 103 Y CB 1.723 40.419 38.460 0.393 0.000 1.164 103 Y HN 0.493 nan 8.280 nan 0.000 0.458 104 P HA -0.049 nan 4.420 nan 0.000 0.267 104 P C 0.758 178.199 177.300 0.235 0.000 1.200 104 P CA -0.138 63.068 63.100 0.177 0.000 0.772 104 P CB 0.923 32.683 31.700 0.099 0.000 0.855 105 L N 3.006 124.332 121.223 0.173 0.000 2.079 105 L HA -0.201 4.140 4.340 0.001 0.000 0.210 105 L C 1.295 178.269 176.870 0.174 0.000 1.081 105 L CA 2.080 57.024 54.840 0.173 0.000 0.752 105 L CB -1.107 41.012 42.059 0.100 0.000 0.896 105 L HN 0.270 nan 8.230 nan 0.000 0.433 106 D N -0.598 119.879 120.400 0.128 0.000 2.311 106 D HA -0.154 4.486 4.640 0.001 0.000 0.212 106 D C 2.131 178.444 176.300 0.022 0.000 0.972 106 D CA 1.017 55.090 54.000 0.121 0.000 0.887 106 D CB -0.132 40.803 40.800 0.224 0.000 0.915 106 D HN 0.413 nan 8.370 nan 0.000 0.497 107 L N -0.861 120.280 121.223 -0.138 0.000 2.478 107 L HA 0.042 4.382 4.340 0.001 0.000 0.223 107 L C 0.153 176.591 176.870 -0.719 0.000 1.140 107 L CA 0.239 54.789 54.840 -0.482 0.000 0.842 107 L CB -0.131 41.490 42.059 -0.730 0.000 0.953 107 L HN -0.114 nan 8.230 nan 0.000 0.452 108 F N -0.322 119.571 119.950 -0.095 0.000 2.450 108 F HA 0.316 4.843 4.527 0.001 0.000 0.332 108 F C 0.639 176.450 175.800 0.019 0.000 1.093 108 F CA -1.124 56.810 58.000 -0.111 0.000 1.003 108 F CB 1.012 39.767 39.000 -0.408 0.000 1.151 108 F HN -0.182 nan 8.300 nan 0.000 0.474 109 E N 1.777 122.118 120.200 0.235 0.000 2.259 109 E HA 0.141 4.491 4.350 0.001 0.000 0.281 109 E C -0.793 175.937 176.600 0.217 0.000 1.037 109 E CA -0.639 55.860 56.400 0.164 0.000 0.854 109 E CB 0.599 30.352 29.700 0.088 0.000 1.051 109 E HN 0.511 nan 8.360 nan 0.000 0.409 110 E N 2.438 122.708 120.200 0.116 0.000 2.465 110 E HA 0.134 4.485 4.350 0.001 0.000 0.260 110 E C 0.873 177.256 176.600 -0.362 0.000 0.980 110 E CA 1.340 57.706 56.400 -0.057 0.000 0.927 110 E CB 0.458 30.119 29.700 -0.064 0.000 0.934 110 E HN 0.803 nan 8.360 nan 0.000 0.459 111 G N 2.592 110.781 108.800 -1.017 0.000 2.187 111 G HA2 -0.332 3.629 3.960 0.001 0.000 0.261 111 G HA3 -0.332 3.629 3.960 0.001 0.000 0.261 111 G C 0.260 174.737 174.900 -0.706 0.000 1.000 111 G CA 0.580 44.818 45.100 -1.437 0.000 0.718 111 G HN 0.543 nan 8.290 nan 0.000 0.519 112 S N -0.760 114.760 115.700 -0.300 0.000 2.667 112 S HA 0.529 5.000 4.470 0.001 0.000 0.304 112 S C 1.392 176.097 174.600 0.175 0.000 1.135 112 S CA 0.080 58.306 58.200 0.044 0.000 1.125 112 S CB 1.384 64.612 63.200 0.046 0.000 0.996 112 S HN 0.533 nan 8.310 nan 0.000 0.474 113 V N 4.781 124.773 119.914 0.130 0.000 2.515 113 V HA -0.109 4.011 4.120 0.001 0.000 0.250 113 V C 2.558 178.455 176.094 -0.329 0.000 1.058 113 V CA 2.371 64.508 62.300 -0.271 0.000 1.064 113 V CB -0.917 30.534 31.823 -0.620 0.000 0.675 113 V HN 0.847 nan 8.190 nan 0.000 0.461 114 T N 0.126 114.631 114.554 -0.082 0.000 2.684 114 T HA -0.250 4.101 4.350 0.001 0.000 0.267 114 T C 1.932 176.681 174.700 0.081 0.000 1.036 114 T CA 1.963 64.102 62.100 0.063 0.000 1.148 114 T CB -0.457 68.491 68.868 0.133 0.000 0.863 114 T HN 0.575 nan 8.240 nan 0.000 0.436 115 N N 0.576 119.328 118.700 0.085 0.000 2.142 115 N HA -0.072 4.668 4.740 0.001 0.000 0.186 115 N C 2.122 177.729 175.510 0.162 0.000 1.023 115 N CA 1.105 54.226 53.050 0.118 0.000 0.852 115 N CB -0.232 38.334 38.487 0.133 0.000 0.998 115 N HN 0.394 nan 8.380 nan 0.000 0.424 116 M N -0.252 119.435 119.600 0.144 0.000 2.080 116 M HA -0.180 4.301 4.480 0.001 0.000 0.260 116 M C 1.356 177.708 176.300 0.088 0.000 1.068 116 M CA 1.612 56.980 55.300 0.113 0.000 1.109 116 M CB -0.133 32.361 32.600 -0.177 0.000 1.342 116 M HN 0.040 nan 8.290 nan 0.000 0.405 117 F N 0.233 120.186 119.950 0.005 0.000 2.259 117 F HA -0.074 4.453 4.527 0.001 0.000 0.298 117 F C 2.532 178.352 175.800 0.033 0.000 1.088 117 F CA 1.374 59.368 58.000 -0.009 0.000 1.358 117 F CB -1.512 37.458 39.000 -0.050 0.000 1.040 117 F HN 0.166 nan 8.300 nan 0.000 0.505 118 T N -0.831 113.863 114.554 0.232 0.000 2.737 118 T HA -0.189 4.162 4.350 0.001 0.000 0.269 118 T C 2.349 177.120 174.700 0.119 0.000 1.040 118 T CA 1.850 64.039 62.100 0.148 0.000 1.142 118 T CB -0.351 68.581 68.868 0.107 0.000 0.861 118 T HN 0.159 nan 8.240 nan 0.000 0.456 119 S N 0.646 116.409 115.700 0.104 0.000 2.325 119 S HA 0.122 4.593 4.470 0.001 0.000 0.214 119 S C 2.078 176.727 174.600 0.082 0.000 1.031 119 S CA 0.662 58.889 58.200 0.044 0.000 0.972 119 S CB -0.312 62.848 63.200 -0.067 0.000 0.908 119 S HN 0.404 nan 8.310 nan 0.000 0.453 120 I N 1.749 122.373 120.570 0.089 0.000 2.264 120 I HA -0.108 4.062 4.170 0.001 0.000 0.248 120 I C 1.604 177.949 176.117 0.379 0.000 1.111 120 I CA 1.194 62.598 61.300 0.174 0.000 1.382 120 I CB -0.272 37.800 38.000 0.119 0.000 1.060 120 I HN 0.269 nan 8.210 nan 0.000 0.418 121 V N -2.984 117.113 119.914 0.304 0.000 3.166 121 V HA 0.478 4.599 4.120 0.001 0.000 0.332 121 V C 1.520 177.717 176.094 0.171 0.000 1.434 121 V CA 0.217 62.706 62.300 0.315 0.000 1.121 121 V CB -0.307 31.516 31.823 0.001 0.000 1.062 121 V HN 0.215 nan 8.190 nan 0.000 0.489 122 G N 1.953 110.856 108.800 0.173 0.000 2.453 122 G HA2 -0.160 3.801 3.960 0.001 0.000 0.215 122 G HA3 -0.160 3.801 3.960 0.001 0.000 0.215 122 G C 1.152 176.141 174.900 0.149 0.000 1.201 122 G CA 1.426 46.603 45.100 0.128 0.000 0.784 122 G HN 0.563 nan 8.290 nan 0.000 0.545 123 N N -0.424 118.392 118.700 0.193 0.000 2.239 123 N HA 0.002 4.742 4.740 0.001 0.000 0.208 123 N C 2.185 177.895 175.510 0.333 0.000 1.200 123 N CA 0.833 54.019 53.050 0.228 0.000 0.895 123 N CB 0.470 39.084 38.487 0.212 0.000 1.085 123 N HN 0.299 nan 8.380 nan 0.000 0.500 124 V N -1.212 118.860 119.914 0.263 0.000 2.720 124 V HA -0.053 4.067 4.120 0.001 0.000 0.256 124 V C 1.611 177.777 176.094 0.120 0.000 1.082 124 V CA 1.257 63.614 62.300 0.096 0.000 1.101 124 V CB -1.172 30.486 31.823 -0.275 0.000 0.693 124 V HN -0.080 nan 8.190 nan 0.000 0.479 125 F N 2.369 122.374 119.950 0.090 0.000 2.604 125 F HA 0.320 4.848 4.527 0.001 0.000 0.298 125 F C 2.309 178.227 175.800 0.196 0.000 1.131 125 F CA 1.016 59.083 58.000 0.111 0.000 1.457 125 F CB -0.615 38.426 39.000 0.069 0.000 1.095 125 F HN 0.342 nan 8.300 nan 0.000 0.574 126 G N -1.631 107.374 108.800 0.342 0.000 3.126 126 G HA2 0.026 3.987 3.960 0.001 0.000 0.224 126 G HA3 0.026 3.987 3.960 0.001 0.000 0.224 126 G C 0.179 175.160 174.900 0.136 0.000 1.142 126 G CA -0.222 45.002 45.100 0.207 0.000 0.759 126 G HN 0.008 nan 8.290 nan 0.000 0.550 127 F N 1.496 121.455 119.950 0.016 0.000 2.608 127 F HA 0.161 4.688 4.527 0.001 0.000 0.380 127 F C 1.780 177.576 175.800 -0.007 0.000 1.083 127 F CA 0.254 58.247 58.000 -0.012 0.000 1.266 127 F CB 1.029 39.995 39.000 -0.057 0.000 1.076 127 F HN -0.037 nan 8.300 nan 0.000 0.574 128 K N 2.733 123.133 120.400 0.001 0.000 2.147 128 K HA -0.147 4.174 4.320 0.001 0.000 0.205 128 K C 1.929 178.571 176.600 0.069 0.000 1.049 128 K CA 1.220 57.515 56.287 0.013 0.000 0.936 128 K CB -0.149 32.326 32.500 -0.041 0.000 0.722 128 K HN 0.704 nan 8.250 nan 0.000 0.446 129 A N 0.949 123.853 122.820 0.140 0.000 2.216 129 A HA 0.032 4.352 4.320 0.001 0.000 0.214 129 A C 0.679 178.308 177.584 0.076 0.000 1.160 129 A CA 0.624 52.732 52.037 0.118 0.000 0.725 129 A CB -0.238 18.863 19.000 0.168 0.000 0.784 129 A HN 0.102 nan 8.150 nan 0.000 0.472 130 L N -1.810 119.463 121.223 0.083 0.000 2.346 130 L HA 0.457 4.798 4.340 0.001 0.000 0.274 130 L C 1.125 178.029 176.870 0.055 0.000 1.007 130 L CA -0.758 54.109 54.840 0.045 0.000 0.818 130 L CB 1.769 43.835 42.059 0.012 0.000 1.284 130 L HN 0.112 nan 8.230 nan 0.000 0.424 131 R N 1.305 121.834 120.500 0.049 0.000 2.112 131 R HA 0.392 4.732 4.340 0.001 0.000 0.216 131 R C 0.114 176.461 176.300 0.078 0.000 1.080 131 R CA 0.667 56.796 56.100 0.049 0.000 0.996 131 R CB 0.453 30.777 30.300 0.041 0.000 0.902 131 R HN 0.742 nan 8.270 nan 0.000 0.449 132 A N 0.350 123.237 122.820 0.111 0.000 2.608 132 A HA 0.609 4.929 4.320 0.001 0.000 0.292 132 A C -2.104 175.555 177.584 0.125 0.000 1.066 132 A CA -0.630 51.554 52.037 0.244 0.000 0.676 132 A CB 1.629 20.760 19.000 0.217 0.000 1.277 132 A HN 0.034 nan 8.150 nan 0.000 0.413 133 L N 0.350 121.626 121.223 0.087 0.000 2.513 133 L HA 0.822 5.163 4.340 0.001 0.000 0.261 133 L C -0.763 175.975 176.870 -0.220 0.000 0.945 133 L CA -0.096 54.593 54.840 -0.251 0.000 0.848 133 L CB 1.997 43.636 42.059 -0.700 0.000 1.334 133 L HN 0.878 nan 8.230 nan 0.000 0.407 134 R N 3.943 124.423 120.500 -0.033 0.000 2.564 134 R HA 0.584 4.924 4.340 0.001 0.000 0.284 134 R C -1.940 174.459 176.300 0.165 0.000 1.031 134 R CA -0.866 55.320 56.100 0.144 0.000 0.904 134 R CB 1.761 32.125 30.300 0.108 0.000 1.199 134 R HN 0.681 nan 8.270 nan 0.000 0.443 135 L N 4.553 125.917 121.223 0.234 0.000 2.278 135 L HA 0.258 4.599 4.340 0.001 0.000 0.287 135 L C 0.727 177.556 176.870 -0.069 0.000 1.072 135 L CA 0.487 55.312 54.840 -0.025 0.000 0.819 135 L CB 1.133 43.208 42.059 0.026 0.000 1.176 135 L HN 0.716 nan 8.230 nan 0.000 0.435 136 E N 2.280 122.341 120.200 -0.232 0.000 2.102 136 E HA 0.077 4.427 4.350 0.001 0.000 0.190 136 E C -0.166 176.305 176.600 -0.216 0.000 0.971 136 E CA 0.562 56.806 56.400 -0.260 0.000 0.821 136 E CB 0.387 29.699 29.700 -0.647 0.000 0.777 136 E HN 0.708 nan 8.360 nan 0.000 0.460 137 D N -1.202 119.057 120.400 -0.235 0.000 2.639 137 D HA 0.417 5.057 4.640 0.001 0.000 0.271 137 D C -1.870 174.515 176.300 0.141 0.000 1.254 137 D CA -0.644 53.363 54.000 0.012 0.000 0.810 137 D CB 1.556 42.407 40.800 0.085 0.000 1.351 137 D HN -0.174 nan 8.370 nan 0.000 0.427 138 L N 1.260 122.603 121.223 0.200 0.000 2.493 138 L HA 0.473 4.813 4.340 0.001 0.000 0.265 138 L C -1.068 175.764 176.870 -0.062 0.000 0.954 138 L CA -0.556 54.307 54.840 0.039 0.000 0.844 138 L CB 1.796 43.839 42.059 -0.027 0.000 1.302 138 L HN 0.360 nan 8.230 nan 0.000 0.405 139 R N 5.224 125.493 120.500 -0.384 0.000 2.204 139 R HA 0.427 4.768 4.340 0.001 0.000 0.341 139 R C -1.079 175.035 176.300 -0.310 0.000 1.035 139 R CA -0.610 55.252 56.100 -0.397 0.000 0.887 139 R CB 0.215 30.093 30.300 -0.704 0.000 1.114 139 R HN 0.475 nan 8.270 nan 0.000 0.473 140 I N 7.670 128.068 120.570 -0.287 0.000 2.337 140 I HA 0.246 4.416 4.170 0.001 0.000 0.291 140 I C -1.829 174.157 176.117 -0.218 0.000 1.046 140 I CA -2.775 58.374 61.300 -0.252 0.000 1.324 140 I CB 0.918 38.741 38.000 -0.294 0.000 1.409 140 I HN 0.263 nan 8.210 nan 0.000 0.494 141 P HA 0.017 nan 4.420 nan 0.000 0.269 141 P C 1.188 178.466 177.300 -0.036 0.000 1.209 141 P CA -0.123 62.930 63.100 -0.078 0.000 0.776 141 P CB 1.351 33.027 31.700 -0.039 0.000 0.876 142 V N 0.495 120.385 119.914 -0.039 0.000 2.469 142 V HA -0.224 3.897 4.120 0.001 0.000 0.251 142 V C 2.290 178.410 176.094 0.043 0.000 1.064 142 V CA 2.070 64.364 62.300 -0.010 0.000 1.066 142 V CB -2.167 29.656 31.823 -0.001 0.000 0.667 142 V HN 0.541 nan 8.190 nan 0.000 0.461 143 A N -0.998 121.859 122.820 0.061 0.000 2.015 143 A HA -0.132 4.189 4.320 0.001 0.000 0.219 143 A C 2.137 179.819 177.584 0.163 0.000 1.163 143 A CA 1.900 53.991 52.037 0.090 0.000 0.646 143 A CB -0.753 18.295 19.000 0.080 0.000 0.806 143 A HN 0.732 nan 8.150 nan 0.000 0.448 144 Y N -0.134 120.181 120.300 0.025 0.000 2.347 144 Y HA 0.014 4.565 4.550 0.001 0.000 0.294 144 Y C 2.307 178.323 175.900 0.194 0.000 1.117 144 Y CA 0.901 59.047 58.100 0.076 0.000 1.184 144 Y CB -0.209 38.259 38.460 0.014 0.000 1.047 144 Y HN 0.046 nan 8.280 nan 0.000 0.546 145 V N 0.787 120.765 119.914 0.107 0.000 2.392 145 V HA -0.309 3.812 4.120 0.001 0.000 0.249 145 V C 2.175 178.364 176.094 0.157 0.000 1.059 145 V CA 2.010 64.358 62.300 0.080 0.000 1.051 145 V CB -0.509 31.324 31.823 0.018 0.000 0.658 145 V HN 0.233 nan 8.190 nan 0.000 0.455 146 K N 0.581 121.039 120.400 0.097 0.000 2.515 146 K HA -0.068 4.252 4.320 0.001 0.000 0.196 146 K C 1.955 178.565 176.600 0.018 0.000 1.038 146 K CA 1.430 57.758 56.287 0.067 0.000 0.967 146 K CB -0.687 31.842 32.500 0.047 0.000 0.780 146 K HN 0.761 nan 8.250 nan 0.000 0.483 147 T N -2.297 112.231 114.554 -0.045 0.000 3.129 147 T HA 0.144 4.495 4.350 0.001 0.000 0.251 147 T C 0.442 174.898 174.700 -0.407 0.000 1.117 147 T CA -0.248 61.709 62.100 -0.240 0.000 1.034 147 T CB -0.224 68.417 68.868 -0.377 0.000 0.968 147 T HN -0.166 nan 8.240 nan 0.000 0.526 148 F N 1.132 120.999 119.950 -0.139 0.000 2.507 148 F HA 0.500 5.027 4.527 0.001 0.000 0.327 148 F C 1.542 177.320 175.800 -0.037 0.000 1.068 148 F CA -1.327 56.620 58.000 -0.089 0.000 0.965 148 F CB 1.970 40.900 39.000 -0.116 0.000 1.192 148 F HN -0.127 nan 8.300 nan 0.000 0.476 149 Q N 1.966 121.878 119.800 0.187 0.000 2.123 149 Q HA 0.227 4.568 4.340 0.001 0.000 0.199 149 Q C 1.009 177.061 176.000 0.087 0.000 0.966 149 Q CA 1.186 57.039 55.803 0.083 0.000 0.845 149 Q CB -0.038 28.733 28.738 0.055 0.000 0.907 149 Q HN 1.009 nan 8.270 nan 0.000 0.439 150 G N 0.390 109.266 108.800 0.127 0.000 2.632 150 G HA2 -0.237 3.723 3.960 0.001 0.000 0.224 150 G HA3 -0.237 3.723 3.960 0.001 0.000 0.224 150 G C -2.561 172.339 174.900 -0.001 0.000 1.341 150 G CA -0.443 44.682 45.100 0.042 0.000 0.880 150 G HN 0.316 nan 8.290 nan 0.000 0.566 151 P HA 0.212 nan 4.420 nan 0.000 0.264 151 P C -1.756 175.490 177.300 -0.090 0.000 1.183 151 P CA -0.385 62.677 63.100 -0.063 0.000 0.763 151 P CB 0.440 32.099 31.700 -0.067 0.000 0.807 152 P HA -0.157 nan 4.420 nan 0.000 0.218 152 P C 0.388 177.293 177.300 -0.660 0.000 1.148 152 P CA 1.851 64.751 63.100 -0.333 0.000 0.822 152 P CB 0.126 31.671 31.700 -0.259 0.000 0.784 153 H N -3.824 115.234 119.070 -0.020 0.000 1.955 153 H HA 0.446 5.003 4.556 0.001 0.000 0.196 153 H C 0.886 176.211 175.328 -0.005 0.000 0.891 153 H CA 0.653 56.695 56.048 -0.010 0.000 1.001 153 H CB -0.026 29.730 29.762 -0.009 0.000 1.195 153 H HN 0.058 nan 8.280 nan 0.000 0.384 154 G N 0.520 109.390 108.800 0.117 0.000 2.663 154 G HA2 -0.197 3.763 3.960 0.001 0.000 0.686 154 G HA3 -0.197 3.763 3.960 0.001 0.000 0.686 154 G C 0.631 175.579 174.900 0.081 0.000 1.288 154 G CA -0.211 44.925 45.100 0.059 0.000 0.836 154 G HN 0.243 nan 8.290 nan 0.000 0.584 155 I N 0.121 120.724 120.570 0.056 0.000 2.087 155 I HA -0.324 3.847 4.170 0.001 0.000 0.240 155 I C 2.925 179.089 176.117 0.078 0.000 1.054 155 I CA 2.537 63.875 61.300 0.064 0.000 1.311 155 I CB -0.326 37.701 38.000 0.044 0.000 1.024 155 I HN 0.778 nan 8.210 nan 0.000 0.402 156 Q N 0.947 120.794 119.800 0.079 0.000 2.014 156 Q HA -0.218 4.122 4.340 0.001 0.000 0.207 156 Q C 2.388 178.451 176.000 0.104 0.000 0.993 156 Q CA 2.618 58.480 55.803 0.098 0.000 0.850 156 Q CB -0.092 28.696 28.738 0.083 0.000 0.916 156 Q HN 0.396 nan 8.270 nan 0.000 0.417 157 V N 1.146 121.118 119.914 0.097 0.000 2.407 157 V HA -0.258 3.862 4.120 0.001 0.000 0.248 157 V C 2.303 178.434 176.094 0.061 0.000 1.055 157 V CA 2.239 64.597 62.300 0.097 0.000 1.049 157 V CB -0.749 31.160 31.823 0.144 0.000 0.662 157 V HN 0.496 nan 8.190 nan 0.000 0.455 158 E N 0.291 120.530 120.200 0.065 0.000 2.051 158 E HA -0.240 4.111 4.350 0.001 0.000 0.192 158 E C 2.466 179.073 176.600 0.011 0.000 0.991 158 E CA 1.338 57.761 56.400 0.038 0.000 0.799 158 E CB -0.096 29.665 29.700 0.100 0.000 0.748 158 E HN 0.496 nan 8.360 nan 0.000 0.449 159 R N 0.290 120.789 120.500 -0.001 0.000 2.096 159 R HA -0.126 4.214 4.340 0.001 0.000 0.235 159 R C 1.909 178.078 176.300 -0.218 0.000 1.127 159 R CA 1.506 57.516 56.100 -0.151 0.000 0.968 159 R CB -0.119 30.124 30.300 -0.095 0.000 0.861 159 R HN 0.282 nan 8.270 nan 0.000 0.440 160 D N 0.286 120.697 120.400 0.017 0.000 2.144 160 D HA -0.103 4.538 4.640 0.001 0.000 0.200 160 D C 1.745 178.066 176.300 0.035 0.000 0.978 160 D CA 0.992 55.057 54.000 0.109 0.000 0.833 160 D CB 0.064 40.952 40.800 0.147 0.000 0.961 160 D HN 0.044 nan 8.370 nan 0.000 0.470 161 K N 0.394 120.793 120.400 -0.003 0.000 2.062 161 K HA 0.039 4.359 4.320 0.001 0.000 0.205 161 K C 2.183 178.771 176.600 -0.022 0.000 1.051 161 K CA 0.395 56.673 56.287 -0.016 0.000 0.941 161 K CB -0.188 32.278 32.500 -0.058 0.000 0.719 161 K HN 0.259 nan 8.250 nan 0.000 0.440 162 L N 0.288 121.482 121.223 -0.047 0.000 2.509 162 L HA 0.049 4.390 4.340 0.001 0.000 0.222 162 L C 0.156 176.957 176.870 -0.115 0.000 1.123 162 L CA -0.100 54.707 54.840 -0.056 0.000 0.856 162 L CB -0.522 41.517 42.059 -0.034 0.000 0.985 162 L HN 0.231 nan 8.230 nan 0.000 0.456 163 N N 1.450 120.042 118.700 -0.179 0.000 2.756 163 N HA -0.186 4.555 4.740 0.001 0.000 0.248 163 N C -0.619 174.679 175.510 -0.352 0.000 1.062 163 N CA 0.784 53.718 53.050 -0.193 0.000 0.696 163 N CB -0.783 37.698 38.487 -0.009 0.000 0.946 163 N HN 0.355 nan 8.380 nan 0.000 0.548 164 K N 1.181 121.187 120.400 -0.658 0.000 2.413 164 K HA 0.470 4.790 4.320 0.001 0.000 0.257 164 K C -1.082 175.118 176.600 -0.666 0.000 0.946 164 K CA -0.505 55.500 56.287 -0.469 0.000 0.823 164 K CB 1.232 33.576 32.500 -0.260 0.000 1.109 164 K HN 0.130 nan 8.250 nan 0.000 0.427 165 Y N -0.781 119.526 120.300 0.012 0.000 2.615 165 Y HA 0.420 4.971 4.550 0.001 0.000 0.341 165 Y C 1.057 176.966 175.900 0.015 0.000 1.089 165 Y CA -0.777 57.334 58.100 0.017 0.000 1.049 165 Y CB 2.362 40.833 38.460 0.017 0.000 1.296 165 Y HN 0.743 nan 8.280 nan 0.000 0.470 166 G N 1.145 110.062 108.800 0.195 0.000 2.148 166 G HA2 -0.221 3.740 3.960 0.001 0.000 0.254 166 G HA3 -0.221 3.740 3.960 0.001 0.000 0.254 166 G C -0.183 174.764 174.900 0.078 0.000 0.981 166 G CA 0.471 45.640 45.100 0.114 0.000 0.670 166 G HN 0.940 nan 8.290 nan 0.000 0.528 167 R N -2.028 118.513 120.500 0.068 0.000 2.728 167 R HA 0.596 4.937 4.340 0.001 0.000 0.274 167 R C -3.545 172.781 176.300 0.043 0.000 1.032 167 R CA -1.736 54.396 56.100 0.052 0.000 0.866 167 R CB 0.323 30.647 30.300 0.040 0.000 1.263 167 R HN 0.032 nan 8.270 nan 0.000 0.475 168 P HA 0.180 nan 4.420 nan 0.000 0.274 168 P C -0.564 176.750 177.300 0.022 0.000 1.231 168 P CA -0.401 62.721 63.100 0.036 0.000 0.790 168 P CB 0.537 32.269 31.700 0.052 0.000 0.951 169 L N 1.745 122.978 121.223 0.017 0.000 2.421 169 L HA 0.406 4.746 4.340 0.001 0.000 0.263 169 L C 0.180 177.078 176.870 0.047 0.000 1.122 169 L CA -0.587 54.261 54.840 0.013 0.000 0.804 169 L CB 0.173 42.285 42.059 0.088 0.000 1.150 169 L HN 0.164 nan 8.230 nan 0.000 0.457 170 L N 0.909 122.146 121.223 0.024 0.000 2.333 170 L HA 0.683 5.023 4.340 0.001 0.000 0.280 170 L C 0.218 177.156 176.870 0.113 0.000 1.004 170 L CA -0.281 54.611 54.840 0.087 0.000 0.820 170 L CB 1.805 43.902 42.059 0.063 0.000 1.247 170 L HN 0.694 nan 8.230 nan 0.000 0.416 171 G N 0.729 109.613 108.800 0.141 0.000 3.042 171 G HA2 0.662 4.623 3.960 0.001 0.000 0.278 171 G HA3 0.662 4.623 3.960 0.001 0.000 0.278 171 G C -1.804 173.122 174.900 0.044 0.000 1.371 171 G CA -0.553 44.603 45.100 0.093 0.000 1.009 171 G HN 0.697 nan 8.290 nan 0.000 0.523 172 C N -0.166 119.108 119.300 -0.043 0.000 3.094 172 C HA 0.653 5.113 4.460 0.001 0.000 0.414 172 C C -0.349 174.604 174.990 -0.061 0.000 0.993 172 C CA -0.490 58.521 59.018 -0.013 0.000 1.217 172 C CB 0.506 28.263 27.740 0.028 0.000 1.603 172 C HN 0.830 nan 8.230 nan 0.000 0.564 173 T N 7.099 121.639 114.554 -0.022 0.000 2.780 173 T HA 0.420 4.770 4.350 0.001 0.000 0.294 173 T C 0.494 175.198 174.700 0.006 0.000 0.949 173 T CA -0.275 61.825 62.100 0.001 0.000 1.074 173 T CB 0.419 69.319 68.868 0.054 0.000 0.910 173 T HN 0.585 nan 8.240 nan 0.000 0.501 174 I N 3.880 124.443 120.570 -0.013 0.000 2.692 174 I HA 0.228 4.398 4.170 0.001 0.000 0.284 174 I C 0.672 176.781 176.117 -0.014 0.000 1.159 174 I CA 0.049 61.287 61.300 -0.104 0.000 1.423 174 I CB 0.078 37.809 38.000 -0.450 0.000 1.380 174 I HN 0.449 nan 8.210 nan 0.000 0.580 175 K N 6.122 126.511 120.400 -0.019 0.000 2.443 175 K HA 0.562 4.882 4.320 0.001 0.000 0.251 175 K C -2.401 174.211 176.600 0.021 0.000 0.972 175 K CA -1.604 54.702 56.287 0.031 0.000 0.833 175 K CB 1.492 34.019 32.500 0.045 0.000 1.317 175 K HN 0.326 nan 8.250 nan 0.000 0.441 176 P HA 0.119 nan 4.420 nan 0.000 0.270 176 P C 0.258 177.595 177.300 0.062 0.000 1.223 176 P CA -0.120 63.000 63.100 0.034 0.000 0.785 176 P CB 0.885 32.586 31.700 0.003 0.000 0.923 177 K N 0.226 120.659 120.400 0.056 0.000 2.034 177 K HA -0.106 4.215 4.320 0.001 0.000 0.214 177 K C 0.844 177.500 176.600 0.093 0.000 1.051 177 K CA 1.344 57.681 56.287 0.084 0.000 0.931 177 K CB -0.315 32.218 32.500 0.055 0.000 0.715 177 K HN 0.411 nan 8.250 nan 0.000 0.446 178 L N -2.501 118.708 121.223 -0.023 0.000 2.309 178 L HA 0.426 4.767 4.340 0.001 0.000 0.261 178 L C 0.784 177.343 176.870 -0.520 0.000 1.021 178 L CA -0.333 54.374 54.840 -0.222 0.000 0.823 178 L CB 2.233 44.197 42.059 -0.157 0.000 1.366 178 L HN 0.473 nan 8.230 nan 0.000 0.423 179 G N 0.666 108.695 108.800 -1.286 0.000 2.253 179 G HA2 -0.178 3.782 3.960 0.001 0.000 0.209 179 G HA3 -0.178 3.782 3.960 0.001 0.000 0.209 179 G C -0.174 174.510 174.900 -0.358 0.000 0.997 179 G CA -0.529 44.059 45.100 -0.853 0.000 0.640 179 G HN 0.302 nan 8.290 nan 0.000 0.496 180 L N 2.326 123.481 121.223 -0.114 0.000 2.375 180 L HA 0.571 4.911 4.340 0.001 0.000 0.271 180 L C 1.492 178.522 176.870 0.266 0.000 1.107 180 L CA -0.017 54.903 54.840 0.133 0.000 0.806 180 L CB 1.456 43.681 42.059 0.278 0.000 1.146 180 L HN 0.478 nan 8.230 nan 0.000 0.447 181 S N 1.427 117.244 115.700 0.195 0.000 2.645 181 S HA 0.316 4.787 4.470 0.001 0.000 0.266 181 S C 1.009 175.701 174.600 0.153 0.000 1.258 181 S CA -0.141 58.161 58.200 0.169 0.000 0.990 181 S CB 1.569 64.815 63.200 0.076 0.000 0.967 181 S HN 0.701 nan 8.310 nan 0.000 0.556 182 A N 1.213 124.097 122.820 0.107 0.000 1.908 182 A HA -0.113 4.207 4.320 0.001 0.000 0.218 182 A C 2.171 179.719 177.584 -0.060 0.000 1.181 182 A CA 1.869 53.986 52.037 0.134 0.000 0.627 182 A CB -0.930 18.233 19.000 0.272 0.000 0.818 182 A HN 0.947 nan 8.150 nan 0.000 0.445 183 K N -0.659 119.491 120.400 -0.417 0.000 2.103 183 K HA -0.131 4.189 4.320 0.001 0.000 0.204 183 K C 1.582 178.037 176.600 -0.243 0.000 1.052 183 K CA 1.329 57.178 56.287 -0.729 0.000 0.945 183 K CB -0.165 31.875 32.500 -0.766 0.000 0.722 183 K HN 0.384 nan 8.250 nan 0.000 0.443 184 N N -0.030 118.621 118.700 -0.081 0.000 2.309 184 N HA -0.154 4.586 4.740 0.001 0.000 0.182 184 N C 1.471 177.018 175.510 0.062 0.000 1.018 184 N CA 0.877 53.928 53.050 0.001 0.000 0.876 184 N CB -0.231 38.276 38.487 0.033 0.000 0.972 184 N HN 0.248 nan 8.380 nan 0.000 0.434 185 Y N 1.197 121.494 120.300 -0.005 0.000 2.163 185 Y HA -0.063 4.487 4.550 0.000 0.000 0.288 185 Y C 2.428 178.334 175.900 0.010 0.000 1.136 185 Y CA 1.729 59.850 58.100 0.036 0.000 1.147 185 Y CB -0.604 37.908 38.460 0.087 0.000 0.987 185 Y HN 0.050 nan 8.280 nan 0.000 0.509 186 G N -0.569 108.324 108.800 0.155 0.000 2.422 186 G HA2 -0.273 3.688 3.960 0.001 0.000 0.218 186 G HA3 -0.273 3.688 3.960 0.001 0.000 0.218 186 G C 1.754 176.700 174.900 0.076 0.000 1.140 186 G CA 0.786 45.949 45.100 0.106 0.000 0.775 186 G HN 0.346 nan 8.290 nan 0.000 0.545 187 R N 0.553 121.079 120.500 0.044 0.000 2.073 187 R HA 0.046 4.386 4.340 0.001 0.000 0.234 187 R C 2.790 179.129 176.300 0.066 0.000 1.134 187 R CA 1.572 57.716 56.100 0.072 0.000 0.952 187 R CB -0.436 29.880 30.300 0.027 0.000 0.850 187 R HN 0.239 nan 8.270 nan 0.000 0.433 188 A N 0.398 123.211 122.820 -0.011 0.000 1.933 188 A HA -0.080 4.241 4.320 0.001 0.000 0.218 188 A C 2.281 179.828 177.584 -0.061 0.000 1.175 188 A CA 1.518 53.519 52.037 -0.059 0.000 0.628 188 A CB -0.502 18.413 19.000 -0.143 0.000 0.814 188 A HN 0.241 nan 8.150 nan 0.000 0.444 189 V N -1.119 118.758 119.914 -0.061 0.000 2.295 189 V HA -0.285 3.835 4.120 0.001 0.000 0.246 189 V C 2.387 178.499 176.094 0.030 0.000 1.049 189 V CA 2.179 64.460 62.300 -0.032 0.000 1.024 189 V CB -1.051 30.720 31.823 -0.087 0.000 0.648 189 V HN 0.752 nan 8.190 nan 0.000 0.447 190 Y N 1.478 121.761 120.300 -0.028 0.000 2.128 190 Y HA -0.229 4.322 4.550 0.001 0.000 0.284 190 Y C 2.555 178.451 175.900 -0.006 0.000 1.154 190 Y CA 1.976 60.072 58.100 -0.007 0.000 1.149 190 Y CB -0.392 38.072 38.460 0.008 0.000 0.976 190 Y HN 0.260 nan 8.280 nan 0.000 0.505 191 E N -0.267 119.734 120.200 -0.332 0.000 2.085 191 E HA -0.219 4.132 4.350 0.001 0.000 0.194 191 E C 2.500 178.942 176.600 -0.263 0.000 0.994 191 E CA 1.443 57.605 56.400 -0.397 0.000 0.801 191 E CB -0.973 28.631 29.700 -0.160 0.000 0.743 191 E HN 0.564 nan 8.360 nan 0.000 0.453 192 C N 0.605 119.814 119.300 -0.152 0.000 2.462 192 C HA -0.073 4.388 4.460 0.001 0.000 0.278 192 C C 2.895 177.822 174.990 -0.105 0.000 1.253 192 C CA 0.375 59.333 59.018 -0.100 0.000 1.713 192 C CB -1.153 26.555 27.740 -0.053 0.000 2.049 192 C HN 0.369 nan 8.230 nan 0.000 0.477 193 L N 1.216 122.384 121.223 -0.091 0.000 2.083 193 L HA -0.167 4.174 4.340 0.001 0.000 0.209 193 L C 2.857 179.669 176.870 -0.096 0.000 1.083 193 L CA 1.788 56.587 54.840 -0.067 0.000 0.752 193 L CB -0.749 41.304 42.059 -0.010 0.000 0.899 193 L HN 0.493 nan 8.230 nan 0.000 0.433 194 R N 0.519 120.910 120.500 -0.182 0.000 2.285 194 R HA -0.055 4.286 4.340 0.001 0.000 0.213 194 R C 1.788 178.011 176.300 -0.129 0.000 1.068 194 R CA 1.188 57.185 56.100 -0.171 0.000 1.004 194 R CB -0.538 29.552 30.300 -0.349 0.000 0.873 194 R HN 0.252 nan 8.270 nan 0.000 0.467 195 G N -0.559 108.162 108.800 -0.133 0.000 2.985 195 G HA2 0.267 4.227 3.960 0.001 0.000 0.209 195 G HA3 0.267 4.227 3.960 0.001 0.000 0.209 195 G C 0.857 175.711 174.900 -0.077 0.000 1.165 195 G CA 0.221 45.260 45.100 -0.102 0.000 0.776 195 G HN 0.564 nan 8.290 nan 0.000 0.541 196 G N -0.719 108.037 108.800 -0.072 0.000 2.260 196 G HA2 -0.181 3.779 3.960 0.001 0.000 0.179 196 G HA3 -0.181 3.779 3.960 0.001 0.000 0.179 196 G C 0.281 175.137 174.900 -0.072 0.000 1.002 196 G CA -0.310 44.752 45.100 -0.063 0.000 0.677 196 G HN 0.329 nan 8.290 nan 0.000 0.486 197 L N 1.374 122.553 121.223 -0.074 0.000 2.395 197 L HA 0.375 4.716 4.340 0.001 0.000 0.269 197 L C 0.988 177.780 176.870 -0.130 0.000 1.133 197 L CA -0.663 54.133 54.840 -0.073 0.000 0.812 197 L CB 0.676 42.712 42.059 -0.038 0.000 1.125 197 L HN 0.008 nan 8.230 nan 0.000 0.452 198 D N 1.488 121.751 120.400 -0.228 0.000 2.213 198 D HA 0.057 4.697 4.640 0.001 0.000 0.205 198 D C -0.125 175.839 176.300 -0.560 0.000 0.961 198 D CA 1.438 55.141 54.000 -0.496 0.000 0.853 198 D CB 0.351 40.666 40.800 -0.809 0.000 0.967 198 D HN 0.154 nan 8.370 nan 0.000 0.496 199 F N -0.240 119.685 119.950 -0.042 0.000 2.613 199 F HA 0.359 4.886 4.527 0.000 0.000 0.314 199 F C 0.551 176.220 175.800 -0.219 0.000 1.075 199 F CA -1.032 56.890 58.000 -0.131 0.000 0.945 199 F CB 1.687 40.573 39.000 -0.190 0.000 1.310 199 F HN -0.340 nan 8.300 nan 0.000 0.467 203 D N 0.919 121.454 120.400 0.225 0.000 2.361 203 D HA -0.016 4.625 4.640 0.001 0.000 0.239 203 D C 1.508 177.816 176.300 0.013 0.000 1.200 203 D CA 0.023 54.093 54.000 0.117 0.000 0.915 203 D CB 1.051 41.929 40.800 0.131 0.000 1.170 203 D HN 0.403 nan 8.370 nan 0.000 0.444 204 E N 1.923 122.024 120.200 -0.163 0.000 2.160 204 E HA -0.253 4.097 4.350 0.001 0.000 0.195 204 E C 0.744 177.247 176.600 -0.161 0.000 0.991 204 E CA 1.223 57.404 56.400 -0.365 0.000 0.810 204 E CB -0.456 28.651 29.700 -0.989 0.000 0.742 204 E HN 0.492 nan 8.360 nan 0.000 0.466 205 N N 0.997 119.657 118.700 -0.067 0.000 2.336 205 N HA 0.002 4.743 4.740 0.001 0.000 0.189 205 N C 0.064 175.610 175.510 0.061 0.000 1.113 205 N CA -0.039 53.008 53.050 -0.005 0.000 0.858 205 N CB 0.078 38.575 38.487 0.015 0.000 0.970 205 N HN -0.044 nan 8.380 nan 0.000 0.471 206 V N 1.879 121.844 119.914 0.084 0.000 2.370 206 V HA 0.176 4.297 4.120 0.001 0.000 0.257 206 V C 0.294 176.442 176.094 0.090 0.000 1.064 206 V CA -0.191 62.181 62.300 0.120 0.000 0.975 206 V CB -0.415 31.487 31.823 0.131 0.000 1.067 206 V HN 0.306 nan 8.190 nan 0.000 0.485 207 N N 2.601 121.339 118.700 0.063 0.000 2.994 207 N HA 0.236 4.976 4.740 0.001 0.000 0.216 207 N C -0.115 175.433 175.510 0.065 0.000 1.166 207 N CA -0.266 52.818 53.050 0.056 0.000 1.155 207 N CB 0.558 39.050 38.487 0.009 0.000 1.489 207 N HN 0.500 nan 8.380 nan 0.000 0.556 208 S N 0.250 115.954 115.700 0.006 0.000 2.720 208 S HA 0.432 4.902 4.470 0.001 0.000 0.278 208 S C -1.812 172.706 174.600 -0.136 0.000 1.172 208 S CA -0.438 57.762 58.200 -0.000 0.000 1.019 208 S CB 1.094 64.383 63.200 0.149 0.000 1.049 208 S HN 0.246 nan 8.310 nan 0.000 0.483 209 Q N 3.405 123.001 119.800 -0.340 0.000 2.544 209 Q HA 0.500 4.840 4.340 0.001 0.000 0.291 209 Q C -2.115 173.587 176.000 -0.497 0.000 1.068 209 Q CA -1.816 53.702 55.803 -0.476 0.000 0.785 209 Q CB 1.438 29.701 28.738 -0.790 0.000 1.481 209 Q HN 0.263 nan 8.270 nan 0.000 0.430 210 P HA -0.189 nan 4.420 nan 0.000 0.216 210 P C 0.557 177.784 177.300 -0.121 0.000 1.150 210 P CA 1.415 64.426 63.100 -0.148 0.000 0.843 210 P CB 0.048 31.735 31.700 -0.022 0.000 0.787 211 F N -2.466 117.494 119.950 0.017 0.000 2.558 211 F HA 0.280 4.807 4.527 0.000 0.000 0.298 211 F C 0.932 176.744 175.800 0.019 0.000 1.119 211 F CA 0.093 58.105 58.000 0.020 0.000 1.451 211 F CB -0.628 38.388 39.000 0.027 0.000 1.091 211 F HN -0.172 nan 8.300 nan 0.000 0.563 212 M N 1.248 120.643 119.600 -0.342 0.000 2.387 212 M HA 0.325 4.806 4.480 0.001 0.000 0.215 212 M C -1.482 174.687 176.300 -0.219 0.000 0.973 212 M CA -0.517 54.698 55.300 -0.142 0.000 0.924 212 M CB 0.964 33.597 32.600 0.055 0.000 2.471 212 M HN -0.203 nan 8.290 nan 0.000 0.445 213 R N 3.702 124.121 120.500 -0.135 0.000 2.490 213 R HA 0.251 4.591 4.340 0.001 0.000 0.278 213 R C 1.110 177.345 176.300 -0.108 0.000 1.069 213 R CA -0.185 55.832 56.100 -0.139 0.000 1.080 213 R CB 0.511 30.696 30.300 -0.193 0.000 1.030 213 R HN 0.963 nan 8.270 nan 0.000 0.491 214 W N 4.357 125.567 121.300 -0.150 0.000 2.338 214 W HA -0.208 4.453 4.660 0.001 0.000 0.304 214 W C 1.186 177.553 176.519 -0.253 0.000 1.212 214 W CA 0.876 58.113 57.345 -0.180 0.000 1.264 214 W CB -0.508 28.767 29.460 -0.308 0.000 1.142 214 W HN 0.583 nan 8.180 nan 0.000 0.512 215 R N 1.023 120.658 120.500 -1.442 0.000 2.081 215 R HA -0.153 4.187 4.340 0.001 0.000 0.235 215 R C 1.953 178.009 176.300 -0.407 0.000 1.131 215 R CA 2.189 57.497 56.100 -1.320 0.000 0.960 215 R CB -0.411 28.885 30.300 -1.674 0.000 0.856 215 R HN 0.001 nan 8.270 nan 0.000 0.436 216 D N -0.153 120.077 120.400 -0.282 0.000 2.097 216 D HA -0.201 4.439 4.640 0.001 0.000 0.195 216 D C 1.865 178.291 176.300 0.210 0.000 0.989 216 D CA 1.083 55.067 54.000 -0.027 0.000 0.827 216 D CB -0.233 40.607 40.800 0.066 0.000 0.966 216 D HN 0.257 nan 8.370 nan 0.000 0.456 217 R N -0.193 120.450 120.500 0.239 0.000 2.080 217 R HA -0.164 4.177 4.340 0.001 0.000 0.236 217 R C 2.320 178.893 176.300 0.456 0.000 1.137 217 R CA 1.153 57.461 56.100 0.347 0.000 0.943 217 R CB -0.384 30.079 30.300 0.272 0.000 0.846 217 R HN 0.023 nan 8.270 nan 0.000 0.431 218 F N 1.108 121.196 119.950 0.230 0.000 2.091 218 F HA -0.235 4.292 4.527 0.000 0.000 0.299 218 F C 2.292 178.197 175.800 0.175 0.000 1.103 218 F CA 1.332 59.495 58.000 0.272 0.000 1.228 218 F CB -0.936 38.359 39.000 0.492 0.000 0.984 218 F HN 0.106 nan 8.300 nan 0.000 0.477 219 L N -1.325 120.119 121.223 0.368 0.000 1.989 219 L HA -0.262 4.079 4.340 0.001 0.000 0.211 219 L C 2.390 179.258 176.870 -0.003 0.000 1.071 219 L CA 1.599 56.508 54.840 0.116 0.000 0.749 219 L CB -0.570 41.445 42.059 -0.073 0.000 0.890 219 L HN -0.028 nan 8.230 nan 0.000 0.431 220 F N -0.707 119.320 119.950 0.129 0.000 2.186 220 F HA -0.209 4.318 4.527 0.000 0.000 0.299 220 F C 2.610 178.438 175.800 0.047 0.000 1.090 220 F CA 1.239 59.289 58.000 0.084 0.000 1.307 220 F CB -1.111 37.942 39.000 0.089 0.000 1.019 220 F HN 0.213 nan 8.300 nan 0.000 0.489 221 C N -0.441 118.978 119.300 0.198 0.000 2.435 221 C HA -0.034 4.426 4.460 0.001 0.000 0.279 221 C C 3.073 178.032 174.990 -0.053 0.000 1.321 221 C CA 0.806 59.823 59.018 -0.001 0.000 1.752 221 C CB -1.566 26.068 27.740 -0.177 0.000 1.959 221 C HN 0.497 nan 8.230 nan 0.000 0.500 222 A N 0.304 123.106 122.820 -0.031 0.000 1.873 222 A HA -0.213 4.108 4.320 0.001 0.000 0.215 222 A C 2.169 179.720 177.584 -0.054 0.000 1.186 222 A CA 1.744 53.695 52.037 -0.142 0.000 0.616 222 A CB -0.676 18.302 19.000 -0.038 0.000 0.823 222 A HN 0.668 nan 8.150 nan 0.000 0.442 223 E N -0.144 120.106 120.200 0.084 0.000 2.058 223 E HA -0.190 4.160 4.350 0.001 0.000 0.194 223 E C 2.192 178.850 176.600 0.097 0.000 0.997 223 E CA 1.169 57.650 56.400 0.135 0.000 0.801 223 E CB -0.236 29.543 29.700 0.131 0.000 0.746 223 E HN 0.537 nan 8.360 nan 0.000 0.450 224 A N 1.103 123.969 122.820 0.077 0.000 1.902 224 A HA -0.176 4.144 4.320 0.001 0.000 0.217 224 A C 2.204 179.852 177.584 0.107 0.000 1.181 224 A CA 1.675 53.766 52.037 0.089 0.000 0.623 224 A CB -0.703 18.368 19.000 0.118 0.000 0.818 224 A HN 0.383 nan 8.150 nan 0.000 0.443 225 L N -3.591 117.630 121.223 -0.003 0.000 2.156 225 L HA -0.003 4.337 4.340 0.001 0.000 0.208 225 L C 2.156 179.028 176.870 0.004 0.000 1.095 225 L CA 1.681 56.502 54.840 -0.031 0.000 0.770 225 L CB -1.125 40.852 42.059 -0.137 0.000 0.914 225 L HN 0.236 nan 8.230 nan 0.000 0.439 226 Y N 0.625 120.964 120.300 0.065 0.000 2.314 226 Y HA -0.037 4.513 4.550 0.000 0.000 0.293 226 Y C 2.714 178.642 175.900 0.047 0.000 1.129 226 Y CA 1.177 59.304 58.100 0.046 0.000 1.201 226 Y CB -0.506 37.969 38.460 0.025 0.000 0.999 226 Y HN 0.311 nan 8.280 nan 0.000 0.541 227 K N 0.132 120.645 120.400 0.189 0.000 2.062 227 K HA -0.100 4.220 4.320 0.001 0.000 0.205 227 K C 2.275 178.998 176.600 0.204 0.000 1.051 227 K CA 1.026 57.374 56.287 0.102 0.000 0.941 227 K CB -0.173 32.263 32.500 -0.107 0.000 0.719 227 K HN 0.201 nan 8.250 nan 0.000 0.440 228 A N 1.206 124.205 122.820 0.298 0.000 1.933 228 A HA -0.230 4.090 4.320 0.001 0.000 0.218 228 A C 2.079 179.754 177.584 0.152 0.000 1.175 228 A CA 1.650 53.854 52.037 0.278 0.000 0.628 228 A CB -0.599 18.523 19.000 0.203 0.000 0.814 228 A HN 0.556 nan 8.150 nan 0.000 0.444 229 Q N -0.557 119.327 119.800 0.140 0.000 2.084 229 Q HA -0.099 4.242 4.340 0.001 0.000 0.202 229 Q C 2.144 178.204 176.000 0.100 0.000 0.978 229 Q CA 1.572 57.442 55.803 0.111 0.000 0.844 229 Q CB -0.343 28.484 28.738 0.148 0.000 0.898 229 Q HN 0.591 nan 8.270 nan 0.000 0.426 230 A N 0.660 123.548 122.820 0.113 0.000 1.930 230 A HA -0.220 4.100 4.320 0.001 0.000 0.217 230 A C 1.877 179.506 177.584 0.074 0.000 1.175 230 A CA 1.569 53.654 52.037 0.080 0.000 0.627 230 A CB -0.589 18.454 19.000 0.071 0.000 0.815 230 A HN 0.623 nan 8.150 nan 0.000 0.443 231 E N -0.399 119.861 120.200 0.099 0.000 2.072 231 E HA -0.154 4.196 4.350 0.001 0.000 0.190 231 E C 2.006 178.644 176.600 0.063 0.000 0.982 231 E CA 1.730 58.187 56.400 0.095 0.000 0.803 231 E CB -0.046 29.747 29.700 0.155 0.000 0.755 231 E HN 0.726 nan 8.360 nan 0.000 0.453 232 T N -3.983 110.604 114.554 0.056 0.000 3.040 232 T HA 0.240 4.590 4.350 0.001 0.000 0.252 232 T C 1.540 176.254 174.700 0.023 0.000 1.064 232 T CA 0.676 62.794 62.100 0.030 0.000 1.110 232 T CB 0.517 69.393 68.868 0.014 0.000 0.921 232 T HN 0.316 nan 8.240 nan 0.000 0.480 233 G N 1.200 110.018 108.800 0.031 0.000 2.159 233 G HA2 -0.205 3.756 3.960 0.001 0.000 0.256 233 G HA3 -0.205 3.756 3.960 0.001 0.000 0.256 233 G C -0.277 174.632 174.900 0.016 0.000 0.977 233 G CA 0.177 45.292 45.100 0.025 0.000 0.652 233 G HN 0.674 nan 8.290 nan 0.000 0.531 234 E N -0.370 119.835 120.200 0.009 0.000 2.212 234 E HA 0.560 4.911 4.350 0.001 0.000 0.268 234 E C 0.425 177.019 176.600 -0.010 0.000 0.902 234 E CA -1.060 55.333 56.400 -0.012 0.000 0.779 234 E CB 1.743 31.423 29.700 -0.034 0.000 1.172 234 E HN 0.301 nan 8.360 nan 0.000 0.409 235 I N 3.293 123.851 120.570 -0.020 0.000 2.683 235 I HA -0.016 4.154 4.170 0.001 0.000 0.286 235 I C 0.453 176.544 176.117 -0.043 0.000 1.175 235 I CA 0.493 61.789 61.300 -0.006 0.000 1.429 235 I CB 0.064 38.061 38.000 -0.004 0.000 1.371 235 I HN 0.203 nan 8.210 nan 0.000 0.569 236 K N 4.388 124.790 120.400 0.002 0.000 2.350 236 K HA 0.818 5.138 4.320 0.001 0.000 0.241 236 K C -0.273 176.378 176.600 0.085 0.000 0.994 236 K CA -0.767 55.515 56.287 -0.008 0.000 0.839 236 K CB 2.198 34.706 32.500 0.013 0.000 1.244 236 K HN 0.785 nan 8.250 nan 0.000 0.443 237 G N -0.112 108.805 108.800 0.196 0.000 2.698 237 G HA2 0.444 4.404 3.960 0.001 0.000 0.293 237 G HA3 0.444 4.404 3.960 0.001 0.000 0.293 237 G C -2.077 173.022 174.900 0.332 0.000 1.437 237 G CA -0.403 44.896 45.100 0.332 0.000 0.852 237 G HN 0.605 nan 8.290 nan 0.000 0.499 238 H N 0.058 119.195 119.070 0.110 0.000 2.924 238 H HA 0.533 5.090 4.556 0.001 0.000 0.333 238 H C -1.138 174.227 175.328 0.062 0.000 0.979 238 H CA -0.793 55.263 56.048 0.014 0.000 1.326 238 H CB 0.744 30.498 29.762 -0.012 0.000 1.600 238 H HN 0.379 nan 8.280 nan 0.000 0.520 239 Y N 5.572 125.584 120.300 -0.480 0.000 2.697 239 Y HA 0.103 4.653 4.550 0.001 0.000 0.349 239 Y C 0.202 175.912 175.900 -0.316 0.000 1.120 239 Y CA -0.527 57.358 58.100 -0.359 0.000 1.468 239 Y CB -0.615 37.637 38.460 -0.347 0.000 1.182 239 Y HN 0.463 nan 8.280 nan 0.000 0.525 240 L N 4.414 125.599 121.223 -0.064 0.000 2.313 240 L HA 0.191 4.531 4.340 0.001 0.000 0.282 240 L C 0.653 177.515 176.870 -0.014 0.000 1.092 240 L CA -0.353 54.363 54.840 -0.206 0.000 0.831 240 L CB 0.382 41.958 42.059 -0.805 0.000 1.159 240 L HN 0.530 nan 8.230 nan 0.000 0.442 241 N N 2.320 121.107 118.700 0.145 0.000 2.431 241 N HA 0.140 4.880 4.740 0.001 0.000 0.265 241 N C 0.404 176.078 175.510 0.274 0.000 1.184 241 N CA 0.101 53.272 53.050 0.201 0.000 0.943 241 N CB 1.773 40.364 38.487 0.174 0.000 1.080 241 N HN 0.721 nan 8.380 nan 0.000 0.477 242 A N 2.693 125.630 122.820 0.196 0.000 2.267 242 A HA 0.093 4.413 4.320 0.001 0.000 0.213 242 A C 0.724 178.350 177.584 0.070 0.000 1.192 242 A CA -0.008 52.095 52.037 0.110 0.000 0.851 242 A CB -0.208 18.826 19.000 0.058 0.000 0.881 242 A HN 0.566 nan 8.150 nan 0.000 0.494 243 T N 1.881 116.533 114.554 0.164 0.000 2.866 243 T HA 0.416 4.766 4.350 0.001 0.000 0.293 243 T C 0.268 174.979 174.700 0.018 0.000 1.005 243 T CA 0.948 63.140 62.100 0.153 0.000 1.162 243 T CB 0.493 69.382 68.868 0.035 0.000 0.968 243 T HN 0.712 nan 8.240 nan 0.000 0.530 244 A N 2.594 125.415 122.820 0.002 0.000 2.567 244 A HA 0.826 5.146 4.320 0.001 0.000 0.289 244 A C 1.317 178.876 177.584 -0.041 0.000 1.177 244 A CA -0.277 51.722 52.037 -0.063 0.000 0.694 244 A CB 0.610 19.525 19.000 -0.143 0.000 1.292 244 A HN 0.749 nan 8.150 nan 0.000 0.425 245 G N -0.946 107.822 108.800 -0.054 0.000 2.511 245 G HA2 0.365 4.325 3.960 0.001 0.000 0.217 245 G HA3 0.365 4.325 3.960 0.001 0.000 0.217 245 G C 0.648 175.527 174.900 -0.036 0.000 1.133 245 G CA 1.709 46.786 45.100 -0.039 0.000 0.792 245 G HN 1.559 nan 8.290 nan 0.000 0.539 246 T N -4.277 110.247 114.554 -0.050 0.000 2.883 246 T HA 0.297 4.647 4.350 0.001 0.000 0.296 246 T C 0.919 175.582 174.700 -0.062 0.000 1.117 246 T CA -0.225 61.847 62.100 -0.046 0.000 1.006 246 T CB 1.378 70.218 68.868 -0.046 0.000 1.191 246 T HN -0.088 nan 8.240 nan 0.000 0.508 247 C N 0.621 119.888 119.300 -0.055 0.000 2.429 247 C HA -0.019 4.441 4.460 0.001 0.000 0.277 247 C C 2.649 177.580 174.990 -0.098 0.000 1.262 247 C CA 0.987 59.962 59.018 -0.072 0.000 1.733 247 C CB -1.350 26.358 27.740 -0.053 0.000 2.010 247 C HN 1.028 nan 8.230 nan 0.000 0.483 248 E N 1.299 121.450 120.200 -0.083 0.000 2.058 248 E HA -0.173 4.177 4.350 0.001 0.000 0.194 248 E C 1.731 178.255 176.600 -0.127 0.000 0.997 248 E CA 1.469 57.815 56.400 -0.090 0.000 0.801 248 E CB -0.347 29.316 29.700 -0.062 0.000 0.746 248 E HN 0.545 nan 8.360 nan 0.000 0.450 249 D N -0.148 120.171 120.400 -0.134 0.000 2.144 249 D HA -0.152 4.488 4.640 0.001 0.000 0.199 249 D C 1.872 178.000 176.300 -0.287 0.000 0.984 249 D CA 0.821 54.700 54.000 -0.200 0.000 0.834 249 D CB -0.222 40.473 40.800 -0.175 0.000 0.955 249 D HN 0.171 nan 8.370 nan 0.000 0.465 250 M N -0.263 119.205 119.600 -0.220 0.000 2.080 250 M HA -0.190 4.291 4.480 0.001 0.000 0.260 250 M C 1.788 177.928 176.300 -0.267 0.000 1.068 250 M CA 1.276 56.441 55.300 -0.226 0.000 1.109 250 M CB 0.042 32.539 32.600 -0.171 0.000 1.342 250 M HN -0.095 nan 8.290 nan 0.000 0.405 251 M N 0.224 119.670 119.600 -0.256 0.000 2.159 251 M HA -0.173 4.308 4.480 0.001 0.000 0.263 251 M C 1.954 178.084 176.300 -0.282 0.000 1.063 251 M CA 1.668 56.779 55.300 -0.314 0.000 1.110 251 M CB -1.214 31.228 32.600 -0.264 0.000 1.374 251 M HN 0.290 nan 8.290 nan 0.000 0.411 252 K N -0.216 120.042 120.400 -0.238 0.000 2.063 252 K HA -0.154 4.166 4.320 0.001 0.000 0.208 252 K C 2.131 178.588 176.600 -0.239 0.000 1.048 252 K CA 1.332 57.513 56.287 -0.178 0.000 0.928 252 K CB -0.029 32.373 32.500 -0.162 0.000 0.713 252 K HN 0.335 nan 8.250 nan 0.000 0.442 253 R N -0.111 120.062 120.500 -0.544 0.000 2.073 253 R HA -0.036 4.305 4.340 0.001 0.000 0.229 253 R C 2.355 178.689 176.300 0.057 0.000 1.120 253 R CA 1.093 56.814 56.100 -0.631 0.000 0.967 253 R CB -0.269 29.519 30.300 -0.852 0.000 0.862 253 R HN 0.147 nan 8.270 nan 0.000 0.436 254 A N 0.862 123.662 122.820 -0.033 0.000 1.902 254 A HA -0.104 4.217 4.320 0.001 0.000 0.217 254 A C 2.349 180.026 177.584 0.155 0.000 1.181 254 A CA 1.270 53.342 52.037 0.059 0.000 0.623 254 A CB -0.524 18.373 19.000 -0.172 0.000 0.818 254 A HN 0.106 nan 8.150 nan 0.000 0.443 255 V N -1.296 118.645 119.914 0.044 0.000 2.343 255 V HA -0.229 3.891 4.120 0.001 0.000 0.247 255 V C 2.266 178.558 176.094 0.331 0.000 1.051 255 V CA 2.113 64.524 62.300 0.184 0.000 1.036 255 V CB -0.858 31.027 31.823 0.102 0.000 0.654 255 V HN 0.629 nan 8.190 nan 0.000 0.451 256 F N 1.353 121.444 119.950 0.234 0.000 2.234 256 F HA -0.029 4.498 4.527 0.000 0.000 0.299 256 F C 2.216 178.229 175.800 0.356 0.000 1.087 256 F CA 0.888 59.076 58.000 0.313 0.000 1.340 256 F CB -0.597 38.669 39.000 0.443 0.000 1.031 256 F HN 0.085 nan 8.300 nan 0.000 0.500 257 A N 0.440 123.471 122.820 0.351 0.000 1.930 257 A HA -0.159 4.162 4.320 0.001 0.000 0.217 257 A C 2.423 180.061 177.584 0.089 0.000 1.175 257 A CA 1.256 53.395 52.037 0.170 0.000 0.627 257 A CB -0.672 18.451 19.000 0.206 0.000 0.815 257 A HN 0.267 nan 8.150 nan 0.000 0.443 258 R N 0.129 120.731 120.500 0.169 0.000 2.081 258 R HA -0.137 4.203 4.340 0.001 0.000 0.235 258 R C 2.020 178.374 176.300 0.089 0.000 1.131 258 R CA 1.919 58.108 56.100 0.149 0.000 0.960 258 R CB -0.586 29.857 30.300 0.237 0.000 0.856 258 R HN 0.768 nan 8.270 nan 0.000 0.436 259 E N 0.164 120.411 120.200 0.079 0.000 2.110 259 E HA -0.137 4.213 4.350 0.001 0.000 0.193 259 E C 1.972 178.548 176.600 -0.040 0.000 0.988 259 E CA 0.840 57.266 56.400 0.043 0.000 0.804 259 E CB -0.011 29.757 29.700 0.113 0.000 0.745 259 E HN 0.311 nan 8.360 nan 0.000 0.458 260 L N -0.652 120.480 121.223 -0.152 0.000 2.465 260 L HA 0.045 4.385 4.340 0.001 0.000 0.224 260 L C 1.622 178.536 176.870 0.073 0.000 1.145 260 L CA 0.584 55.363 54.840 -0.102 0.000 0.834 260 L CB -0.111 41.817 42.059 -0.218 0.000 0.944 260 L HN 0.412 nan 8.230 nan 0.000 0.451 261 G N 0.421 109.259 108.800 0.063 0.000 2.148 261 G HA2 -0.275 3.685 3.960 0.001 0.000 0.254 261 G HA3 -0.275 3.685 3.960 0.001 0.000 0.254 261 G C 0.454 175.440 174.900 0.144 0.000 0.981 261 G CA 0.304 45.469 45.100 0.109 0.000 0.670 261 G HN 0.274 nan 8.290 nan 0.000 0.528 262 V N -1.891 118.075 119.914 0.086 0.000 3.051 262 V HA 0.611 4.732 4.120 0.001 0.000 0.306 262 V C 0.165 176.283 176.094 0.040 0.000 1.083 262 V CA -0.603 61.716 62.300 0.031 0.000 1.104 262 V CB 1.035 32.823 31.823 -0.059 0.000 1.027 262 V HN 0.119 nan 8.190 nan 0.000 0.483 263 P HA 0.268 nan 4.420 nan 0.000 0.230 263 P C 0.143 177.445 177.300 0.003 0.000 1.168 263 P CA 0.718 63.838 63.100 0.034 0.000 0.793 263 P CB 0.664 32.407 31.700 0.072 0.000 0.851 264 I N -0.051 120.522 120.570 0.005 0.000 2.827 264 I HA 0.345 4.515 4.170 0.001 0.000 0.298 264 I C -1.404 174.686 176.117 -0.046 0.000 1.235 264 I CA -1.312 59.954 61.300 -0.056 0.000 1.021 264 I CB 2.598 40.516 38.000 -0.136 0.000 1.259 264 I HN -0.289 nan 8.210 nan 0.000 0.427 265 V N 4.223 124.097 119.914 -0.067 0.000 3.126 265 V HA 0.729 4.850 4.120 0.001 0.000 0.314 265 V C -0.545 175.523 176.094 -0.045 0.000 1.138 265 V CA -0.797 61.487 62.300 -0.026 0.000 1.034 265 V CB 1.819 33.665 31.823 0.038 0.000 1.075 265 V HN 0.919 nan 8.190 nan 0.000 0.442 266 M N 0.905 120.528 119.600 0.039 0.000 2.658 266 M HA 0.722 5.202 4.480 0.001 0.000 0.295 266 M C -1.112 175.290 176.300 0.170 0.000 1.248 266 M CA -0.517 54.834 55.300 0.086 0.000 0.843 266 M CB 2.472 35.182 32.600 0.183 0.000 1.749 266 M HN 1.037 nan 8.290 nan 0.000 0.464 267 H N 0.207 119.294 119.070 0.028 0.000 3.029 267 H HA 0.289 4.845 4.556 0.001 0.000 0.358 267 H C -1.831 173.529 175.328 0.054 0.000 1.129 267 H CA -0.600 55.463 56.048 0.026 0.000 1.230 267 H CB 2.055 31.820 29.762 0.006 0.000 1.827 267 H HN 0.863 nan 8.280 nan 0.000 0.530 268 D N 5.442 125.575 120.400 -0.445 0.000 2.468 268 D HA -0.016 4.625 4.640 0.001 0.000 0.218 268 D C 1.069 177.075 176.300 -0.489 0.000 1.155 268 D CA -0.180 53.651 54.000 -0.283 0.000 0.924 268 D CB 0.124 40.791 40.800 -0.222 0.000 1.029 268 D HN 0.540 nan 8.370 nan 0.000 0.515 269 Y N 1.352 121.391 120.300 -0.435 0.000 2.333 269 Y HA -0.113 4.437 4.550 0.001 0.000 0.290 269 Y C 1.277 176.924 175.900 -0.421 0.000 1.144 269 Y CA 1.009 58.892 58.100 -0.362 0.000 1.228 269 Y CB -0.475 37.876 38.460 -0.181 0.000 0.985 269 Y HN 0.255 nan 8.280 nan 0.000 0.542 270 L N 0.313 121.091 121.223 -0.742 0.000 2.127 270 L HA -0.051 4.289 4.340 0.001 0.000 0.203 270 L C 2.606 179.239 176.870 -0.396 0.000 1.080 270 L CA 1.489 55.889 54.840 -0.733 0.000 0.768 270 L CB -0.812 40.858 42.059 -0.647 0.000 0.924 270 L HN 0.399 nan 8.230 nan 0.000 0.444 271 T N -3.454 110.928 114.554 -0.287 0.000 2.985 271 T HA -0.007 4.344 4.350 0.001 0.000 0.266 271 T C 1.825 176.425 174.700 -0.168 0.000 1.076 271 T CA 0.832 62.817 62.100 -0.192 0.000 1.135 271 T CB -0.340 68.439 68.868 -0.147 0.000 0.890 271 T HN 0.328 nan 8.240 nan 0.000 0.480 272 G N 1.205 109.875 108.800 -0.217 0.000 2.411 272 G HA2 0.460 4.420 3.960 0.001 0.000 0.213 272 G HA3 0.460 4.420 3.960 0.001 0.000 0.213 272 G C 0.825 175.703 174.900 -0.036 0.000 1.166 272 G CA 0.158 45.204 45.100 -0.090 0.000 0.802 272 G HN 1.206 nan 8.290 nan 0.000 0.533 273 G N -1.801 106.924 108.800 -0.125 0.000 2.576 273 G HA2 -0.005 3.956 3.960 0.001 0.000 0.686 273 G HA3 -0.005 3.956 3.960 0.001 0.000 0.686 273 G C 0.082 174.960 174.900 -0.037 0.000 1.242 273 G CA -0.239 44.794 45.100 -0.111 0.000 0.819 273 G HN 0.058 nan 8.290 nan 0.000 0.655 274 F N 0.668 120.682 119.950 0.107 0.000 2.171 274 F HA -0.002 4.526 4.527 0.001 0.000 0.300 274 F C 3.090 178.948 175.800 0.095 0.000 1.090 274 F CA 2.274 60.359 58.000 0.141 0.000 1.293 274 F CB -0.513 38.579 39.000 0.153 0.000 1.013 274 F HN 0.553 nan 8.300 nan 0.000 0.486 275 T N -0.253 114.447 114.554 0.244 0.000 2.708 275 T HA -0.178 4.172 4.350 0.001 0.000 0.266 275 T C 2.306 177.047 174.700 0.068 0.000 1.037 275 T CA 1.417 63.596 62.100 0.130 0.000 1.146 275 T CB -0.638 68.287 68.868 0.096 0.000 0.865 275 T HN 0.280 nan 8.240 nan 0.000 0.435 276 A N 1.588 124.449 122.820 0.068 0.000 1.930 276 A HA -0.103 4.217 4.320 0.001 0.000 0.217 276 A C 2.140 179.696 177.584 -0.047 0.000 1.175 276 A CA 1.927 53.969 52.037 0.007 0.000 0.627 276 A CB -0.857 18.169 19.000 0.044 0.000 0.815 276 A HN 0.524 nan 8.150 nan 0.000 0.443 277 N N -0.552 118.202 118.700 0.090 0.000 2.166 277 N HA -0.122 4.619 4.740 0.001 0.000 0.186 277 N C 1.625 177.132 175.510 -0.004 0.000 1.019 277 N CA 2.171 55.268 53.050 0.079 0.000 0.856 277 N CB -0.269 38.396 38.487 0.298 0.000 0.993 277 N HN 0.394 nan 8.380 nan 0.000 0.426 278 T N -1.324 113.231 114.554 0.002 0.000 2.821 278 T HA -0.090 4.261 4.350 0.001 0.000 0.267 278 T C 1.773 176.259 174.700 -0.357 0.000 1.046 278 T CA 1.577 63.581 62.100 -0.159 0.000 1.139 278 T CB -0.657 68.137 68.868 -0.124 0.000 0.871 278 T HN 0.271 nan 8.240 nan 0.000 0.454 279 T N 2.218 116.649 114.554 -0.205 0.000 2.720 279 T HA -0.042 4.308 4.350 0.001 0.000 0.268 279 T C 1.860 176.517 174.700 -0.072 0.000 1.037 279 T CA 0.878 62.892 62.100 -0.142 0.000 1.144 279 T CB -0.418 68.401 68.868 -0.082 0.000 0.864 279 T HN 0.112 nan 8.240 nan 0.000 0.444 280 L N 0.943 122.101 121.223 -0.110 0.000 2.093 280 L HA 0.063 4.403 4.340 0.001 0.000 0.208 280 L C 2.607 179.497 176.870 0.033 0.000 1.085 280 L CA 1.690 56.493 54.840 -0.061 0.000 0.755 280 L CB -0.998 40.923 42.059 -0.231 0.000 0.904 280 L HN 0.184 nan 8.230 nan 0.000 0.435 281 S N -1.299 114.390 115.700 -0.018 0.000 2.370 281 S HA -0.266 4.205 4.470 0.001 0.000 0.226 281 S C 2.018 176.700 174.600 0.136 0.000 1.033 281 S CA 1.682 59.902 58.200 0.033 0.000 1.011 281 S CB -0.519 62.691 63.200 0.017 0.000 0.852 281 S HN 0.736 nan 8.310 nan 0.000 0.457 282 H N -2.027 117.059 119.070 0.027 0.000 2.389 282 H HA -0.073 4.483 4.556 0.001 0.000 0.299 282 H C 2.054 177.395 175.328 0.022 0.000 1.081 282 H CA 1.514 57.570 56.048 0.014 0.000 1.345 282 H CB -0.211 29.566 29.762 0.025 0.000 1.393 282 H HN 0.567 nan 8.280 nan 0.000 0.520 283 Y N 1.053 121.411 120.300 0.096 0.000 2.181 283 Y HA -0.269 4.281 4.550 0.000 0.000 0.288 283 Y C 2.450 178.375 175.900 0.041 0.000 1.146 283 Y CA 1.111 59.240 58.100 0.049 0.000 1.164 283 Y CB -0.649 37.823 38.460 0.019 0.000 0.982 283 Y HN 0.195 nan 8.280 nan 0.000 0.515 284 C N 0.252 119.582 119.300 0.051 0.000 2.425 284 C HA -0.136 4.325 4.460 0.001 0.000 0.277 284 C C 2.755 177.712 174.990 -0.055 0.000 1.280 284 C CA 1.452 60.473 59.018 0.005 0.000 1.744 284 C CB -1.221 26.569 27.740 0.084 0.000 1.989 284 C HN 0.581 nan 8.230 nan 0.000 0.491 285 R N 1.702 122.141 120.500 -0.101 0.000 2.075 285 R HA -0.076 4.265 4.340 0.001 0.000 0.232 285 R C 1.475 177.695 176.300 -0.133 0.000 1.126 285 R CA 1.878 57.868 56.100 -0.184 0.000 0.963 285 R CB -0.828 29.376 30.300 -0.159 0.000 0.858 285 R HN 0.423 nan 8.270 nan 0.000 0.435 286 D N -0.306 120.002 120.400 -0.153 0.000 2.317 286 D HA -0.023 4.617 4.640 0.001 0.000 0.211 286 D C 0.291 176.471 176.300 -0.199 0.000 0.966 286 D CA 0.740 54.644 54.000 -0.160 0.000 0.876 286 D CB 0.069 40.776 40.800 -0.154 0.000 0.927 286 D HN 0.327 nan 8.370 nan 0.000 0.519 287 N N -0.592 117.946 118.700 -0.270 0.000 2.197 287 N HA 0.113 4.854 4.740 0.001 0.000 0.228 287 N C 0.808 176.274 175.510 -0.075 0.000 1.212 287 N CA 0.228 53.139 53.050 -0.231 0.000 0.883 287 N CB 1.829 40.028 38.487 -0.480 0.000 1.107 287 N HN 0.041 nan 8.380 nan 0.000 0.519 288 G N 1.577 110.392 108.800 0.025 0.000 2.225 288 G HA2 -0.275 3.685 3.960 0.001 0.000 0.267 288 G HA3 -0.275 3.685 3.960 0.001 0.000 0.267 288 G C -0.125 174.803 174.900 0.047 0.000 1.024 288 G CA 0.199 45.368 45.100 0.114 0.000 0.784 288 G HN 0.267 nan 8.290 nan 0.000 0.507 289 L N -0.060 121.226 121.223 0.105 0.000 2.289 289 L HA 0.545 4.885 4.340 0.001 0.000 0.285 289 L C 1.101 178.027 176.870 0.093 0.000 1.049 289 L CA -1.020 53.856 54.840 0.059 0.000 0.804 289 L CB 1.304 43.411 42.059 0.081 0.000 1.195 289 L HN 0.055 nan 8.230 nan 0.000 0.428 290 L N 3.731 124.919 121.223 -0.058 0.000 2.417 290 L HA 0.242 4.583 4.340 0.001 0.000 0.268 290 L C -0.415 176.384 176.870 -0.118 0.000 1.158 290 L CA -0.288 54.498 54.840 -0.091 0.000 0.819 290 L CB 1.076 43.014 42.059 -0.201 0.000 1.112 290 L HN 0.394 nan 8.230 nan 0.000 0.458 291 L N 2.766 123.898 121.223 -0.153 0.000 2.372 291 L HA 0.348 4.688 4.340 0.001 0.000 0.273 291 L C -0.618 176.057 176.870 -0.326 0.000 0.989 291 L CA -0.256 54.476 54.840 -0.179 0.000 0.841 291 L CB 1.098 43.115 42.059 -0.071 0.000 1.225 291 L HN 0.450 nan 8.230 nan 0.000 0.414 292 H N 5.461 124.220 119.070 -0.518 0.000 2.562 292 H HA 0.571 5.128 4.556 0.001 0.000 0.314 292 H C -0.886 174.310 175.328 -0.220 0.000 1.079 292 H CA -0.442 55.268 56.048 -0.564 0.000 1.349 292 H CB 0.760 29.900 29.762 -1.037 0.000 1.432 292 H HN 0.511 nan 8.280 nan 0.000 0.479 293 I N 5.816 126.007 120.570 -0.632 0.000 2.339 293 I HA 0.116 4.286 4.170 0.001 0.000 0.290 293 I C 0.066 175.943 176.117 -0.399 0.000 0.994 293 I CA -0.447 60.620 61.300 -0.387 0.000 1.191 293 I CB 0.908 38.674 38.000 -0.391 0.000 1.343 293 I HN 0.721 nan 8.210 nan 0.000 0.458 294 H N 7.528 126.444 119.070 -0.258 0.000 2.489 294 H HA 0.303 4.859 4.556 0.001 0.000 0.322 294 H C 0.382 175.642 175.328 -0.114 0.000 1.091 294 H CA -0.471 55.387 56.048 -0.316 0.000 1.291 294 H CB 1.381 31.029 29.762 -0.191 0.000 1.436 294 H HN 0.580 nan 8.280 nan 0.000 0.480 295 R N 3.240 123.551 120.500 -0.314 0.000 2.555 295 R HA 0.382 4.722 4.340 0.001 0.000 0.272 295 R C 0.197 176.559 176.300 0.104 0.000 1.089 295 R CA -0.357 55.770 56.100 0.045 0.000 1.126 295 R CB -0.168 30.110 30.300 -0.037 0.000 1.250 295 R HN 0.376 nan 8.270 nan 0.000 0.551 296 A N 2.006 124.989 122.820 0.273 0.000 2.598 296 A HA 0.055 4.375 4.320 0.001 0.000 0.239 296 A C 1.029 178.636 177.584 0.038 0.000 1.032 296 A CA 1.036 53.199 52.037 0.210 0.000 0.760 296 A CB -0.352 18.726 19.000 0.129 0.000 0.946 296 A HN 0.953 nan 8.150 nan 0.000 0.512 297 M N 0.943 120.539 119.600 -0.006 0.000 2.990 297 M HA -0.311 4.169 4.480 0.001 0.000 0.206 297 M C 0.602 176.834 176.300 -0.113 0.000 0.594 297 M CA 2.362 57.610 55.300 -0.088 0.000 0.787 297 M CB -2.484 30.056 32.600 -0.101 0.000 2.812 297 M HN 1.267 nan 8.290 nan 0.000 0.300 298 H N -0.224 118.787 119.070 -0.098 0.000 2.387 298 H HA 0.347 4.903 4.556 0.001 0.000 0.299 298 H C 1.886 177.170 175.328 -0.074 0.000 1.090 298 H CA 1.951 57.957 56.048 -0.071 0.000 1.332 298 H CB -0.620 29.135 29.762 -0.011 0.000 1.386 298 H HN 0.578 nan 8.280 nan 0.000 0.516 299 A N 1.116 123.394 122.820 -0.903 0.000 2.121 299 A HA -0.013 4.307 4.320 0.001 0.000 0.218 299 A C 2.432 179.861 177.584 -0.259 0.000 1.154 299 A CA 1.122 52.813 52.037 -0.576 0.000 0.679 299 A CB -0.728 17.918 19.000 -0.590 0.000 0.795 299 A HN 0.370 nan 8.150 nan 0.000 0.458 300 V N -0.296 119.492 119.914 -0.209 0.000 2.515 300 V HA -0.206 3.914 4.120 0.001 0.000 0.250 300 V C 2.189 178.230 176.094 -0.088 0.000 1.058 300 V CA 1.966 64.191 62.300 -0.126 0.000 1.064 300 V CB -0.460 31.296 31.823 -0.111 0.000 0.675 300 V HN 0.615 nan 8.190 nan 0.000 0.461 301 I N 0.613 121.126 120.570 -0.095 0.000 2.810 301 I HA -0.010 4.161 4.170 0.001 0.000 0.262 301 I C 1.677 177.771 176.117 -0.038 0.000 1.131 301 I CA 1.047 62.304 61.300 -0.071 0.000 1.453 301 I CB -0.117 37.824 38.000 -0.098 0.000 1.161 301 I HN 0.443 nan 8.210 nan 0.000 0.444 302 D N -0.249 120.130 120.400 -0.035 0.000 2.395 302 D HA -0.034 4.606 4.640 0.001 0.000 0.213 302 D C 1.800 178.077 176.300 -0.038 0.000 1.110 302 D CA -0.047 53.941 54.000 -0.020 0.000 0.835 302 D CB 0.050 40.864 40.800 0.023 0.000 0.965 302 D HN -0.052 nan 8.370 nan 0.000 0.505 303 R N 0.329 120.802 120.500 -0.045 0.000 2.062 303 R HA 0.030 4.370 4.340 0.001 0.000 0.229 303 R C 0.446 176.754 176.300 0.013 0.000 1.128 303 R CA 1.155 57.235 56.100 -0.034 0.000 0.960 303 R CB -0.209 30.054 30.300 -0.061 0.000 0.855 303 R HN 0.056 nan 8.270 nan 0.000 0.432 304 Q N 0.850 120.671 119.800 0.035 0.000 2.288 304 Q HA 0.028 4.368 4.340 0.001 0.000 0.254 304 Q C 0.218 176.277 176.000 0.097 0.000 0.932 304 Q CA 0.151 55.994 55.803 0.066 0.000 0.902 304 Q CB 1.448 30.231 28.738 0.074 0.000 1.203 304 Q HN 0.212 nan 8.270 nan 0.000 0.415 305 K N 2.505 122.965 120.400 0.099 0.000 2.211 305 K HA -0.144 4.176 4.320 0.001 0.000 0.203 305 K C 1.198 177.869 176.600 0.117 0.000 1.050 305 K CA 1.360 57.718 56.287 0.117 0.000 0.945 305 K CB 0.325 32.886 32.500 0.102 0.000 0.732 305 K HN 0.586 nan 8.250 nan 0.000 0.451 306 N N -0.777 117.994 118.700 0.118 0.000 2.415 306 N HA -0.112 4.629 4.740 0.001 0.000 0.176 306 N C -0.214 175.416 175.510 0.200 0.000 1.042 306 N CA 0.693 53.821 53.050 0.131 0.000 0.902 306 N CB 0.068 38.622 38.487 0.111 0.000 0.986 306 N HN 0.210 nan 8.380 nan 0.000 0.447 307 H N -1.429 117.704 119.070 0.104 0.000 2.954 307 H HA 0.566 5.122 4.556 0.001 0.000 0.361 307 H C 0.121 175.550 175.328 0.167 0.000 1.122 307 H CA 0.397 56.538 56.048 0.155 0.000 1.217 307 H CB 1.573 31.412 29.762 0.129 0.000 1.776 307 H HN 0.334 nan 8.280 nan 0.000 0.533 308 G N 2.327 111.101 108.800 -0.043 0.000 2.295 308 G HA2 -0.027 3.933 3.960 0.001 0.000 0.195 308 G HA3 -0.027 3.933 3.960 0.001 0.000 0.195 308 G C -1.425 173.499 174.900 0.040 0.000 1.269 308 G CA -0.357 44.741 45.100 -0.004 0.000 1.170 308 G HN 0.647 nan 8.290 nan 0.000 0.511 309 M N 0.825 120.418 119.600 -0.013 0.000 2.267 309 M HA 0.366 4.846 4.480 0.001 0.000 0.289 309 M C -0.357 175.976 176.300 0.056 0.000 1.043 309 M CA -0.798 54.506 55.300 0.005 0.000 0.928 309 M CB 2.309 34.832 32.600 -0.128 0.000 1.613 309 M HN 0.760 nan 8.290 nan 0.000 0.450 310 H N 1.997 121.093 119.070 0.043 0.000 2.790 310 H HA 0.057 4.613 4.556 0.001 0.000 0.358 310 H C 0.158 175.544 175.328 0.096 0.000 1.103 310 H CA 0.791 56.898 56.048 0.099 0.000 1.426 310 H CB 0.856 30.684 29.762 0.109 0.000 1.424 310 H HN 0.769 nan 8.280 nan 0.000 0.599 311 F N 4.925 124.691 119.950 -0.306 0.000 2.250 311 F HA -0.209 4.318 4.527 0.001 0.000 0.301 311 F C 2.567 178.323 175.800 -0.072 0.000 1.077 311 F CA 1.673 59.553 58.000 -0.201 0.000 1.348 311 F CB -0.089 38.648 39.000 -0.439 0.000 1.040 311 F HN 0.679 nan 8.300 nan 0.000 0.509 312 R N -0.478 120.131 120.500 0.181 0.000 2.127 312 R HA -0.121 4.220 4.340 0.001 0.000 0.238 312 R C 1.750 178.028 176.300 -0.038 0.000 1.134 312 R CA 1.874 58.001 56.100 0.044 0.000 0.975 312 R CB -1.428 29.047 30.300 0.291 0.000 0.865 312 R HN 0.296 nan 8.270 nan 0.000 0.447 313 V N 1.754 121.682 119.914 0.025 0.000 2.379 313 V HA -0.136 3.984 4.120 0.001 0.000 0.245 313 V C 2.429 178.563 176.094 0.067 0.000 1.044 313 V CA 1.367 63.708 62.300 0.069 0.000 1.036 313 V CB -0.377 31.509 31.823 0.105 0.000 0.664 313 V HN 0.263 nan 8.190 nan 0.000 0.453 314 L N 0.143 121.323 121.223 -0.072 0.000 2.141 314 L HA -0.097 4.243 4.340 0.001 0.000 0.209 314 L C 2.686 179.464 176.870 -0.153 0.000 1.094 314 L CA 1.318 56.160 54.840 0.004 0.000 0.763 314 L CB -0.722 41.306 42.059 -0.052 0.000 0.908 314 L HN 0.360 nan 8.230 nan 0.000 0.437 315 A N 0.247 122.707 122.820 -0.600 0.000 1.898 315 A HA -0.177 4.143 4.320 0.001 0.000 0.216 315 A C 2.338 179.821 177.584 -0.168 0.000 1.181 315 A CA 1.372 53.094 52.037 -0.525 0.000 0.620 315 A CB -0.250 18.355 19.000 -0.659 0.000 0.819 315 A HN 0.274 nan 8.150 nan 0.000 0.442 316 K N -0.213 120.163 120.400 -0.039 0.000 2.057 316 K HA -0.058 4.262 4.320 0.001 0.000 0.207 316 K C 2.300 178.918 176.600 0.029 0.000 1.049 316 K CA 1.076 57.439 56.287 0.127 0.000 0.931 316 K CB -0.340 32.270 32.500 0.184 0.000 0.714 316 K HN 0.427 nan 8.250 nan 0.000 0.440 317 A N 1.961 124.779 122.820 -0.002 0.000 1.940 317 A HA -0.167 4.154 4.320 0.001 0.000 0.219 317 A C 2.053 179.637 177.584 -0.001 0.000 1.176 317 A CA 1.134 53.109 52.037 -0.103 0.000 0.631 317 A CB -0.546 18.458 19.000 0.008 0.000 0.814 317 A HN 0.250 nan 8.150 nan 0.000 0.446 318 L N -0.420 120.853 121.223 0.084 0.000 2.056 318 L HA -0.087 4.253 4.340 0.001 0.000 0.207 318 L C 2.421 179.213 176.870 -0.129 0.000 1.078 318 L CA 2.221 57.033 54.840 -0.047 0.000 0.749 318 L CB -0.867 40.969 42.059 -0.373 0.000 0.901 318 L HN 0.537 nan 8.230 nan 0.000 0.433 319 R N -0.439 119.963 120.500 -0.164 0.000 2.120 319 R HA -0.158 4.183 4.340 0.001 0.000 0.234 319 R C 2.336 178.537 176.300 -0.165 0.000 1.123 319 R CA 1.282 57.245 56.100 -0.228 0.000 0.975 319 R CB -0.031 30.005 30.300 -0.440 0.000 0.866 319 R HN 0.414 nan 8.270 nan 0.000 0.446 320 L N -0.881 120.231 121.223 -0.186 0.000 2.049 320 L HA -0.086 4.254 4.340 0.001 0.000 0.203 320 L C 2.593 179.391 176.870 -0.121 0.000 1.074 320 L CA 1.254 55.880 54.840 -0.356 0.000 0.749 320 L CB -0.615 40.835 42.059 -1.015 0.000 0.907 320 L HN 0.220 nan 8.230 nan 0.000 0.439 321 S N -0.672 114.995 115.700 -0.055 0.000 2.359 321 S HA -0.016 4.455 4.470 0.001 0.000 0.224 321 S C 0.859 175.512 174.600 0.088 0.000 1.035 321 S CA 1.202 59.475 58.200 0.120 0.000 1.018 321 S CB -0.305 63.029 63.200 0.223 0.000 0.876 321 S HN 0.616 nan 8.310 nan 0.000 0.448 322 G N -1.608 107.201 108.800 0.015 0.000 2.957 322 G HA2 0.433 4.394 3.960 0.001 0.000 0.636 322 G HA3 0.433 4.394 3.960 0.001 0.000 0.636 322 G C -0.336 174.527 174.900 -0.061 0.000 1.401 322 G CA -0.433 44.659 45.100 -0.014 0.000 0.941 322 G HN 1.091 nan 8.290 nan 0.000 0.610 323 G N 0.519 109.261 108.800 -0.096 0.000 2.691 323 G HA2 0.596 4.556 3.960 0.001 0.000 0.298 323 G HA3 0.596 4.556 3.960 0.001 0.000 0.298 323 G C -0.161 174.675 174.900 -0.105 0.000 1.471 323 G CA 0.166 45.189 45.100 -0.129 0.000 0.912 323 G HN 0.354 nan 8.290 nan 0.000 0.553 324 D N -0.313 120.026 120.400 -0.102 0.000 2.301 324 D HA 0.091 4.731 4.640 0.001 0.000 0.206 324 D C 0.407 176.776 176.300 0.116 0.000 0.979 324 D CA 1.043 55.029 54.000 -0.023 0.000 0.874 324 D CB 0.393 41.163 40.800 -0.050 0.000 0.968 324 D HN 0.578 nan 8.370 nan 0.000 0.510 325 H N -0.880 118.087 119.070 -0.171 0.000 2.865 325 H HA 0.656 5.213 4.556 0.001 0.000 0.372 325 H C -0.786 174.368 175.328 -0.290 0.000 1.173 325 H CA -0.872 55.065 56.048 -0.184 0.000 1.147 325 H CB 3.178 32.867 29.762 -0.122 0.000 1.805 325 H HN -0.159 nan 8.280 nan 0.000 0.553 326 I N 1.190 121.713 120.570 -0.079 0.000 2.743 326 I HA 0.108 4.278 4.170 0.001 0.000 0.292 326 I C -0.830 175.299 176.117 0.020 0.000 1.343 326 I CA -0.446 60.791 61.300 -0.106 0.000 1.038 326 I CB 1.920 39.848 38.000 -0.121 0.000 1.311 326 I HN 0.705 nan 8.210 nan 0.000 0.426 327 H N 4.830 123.787 119.070 -0.188 0.000 2.848 327 H HA 0.142 4.698 4.556 0.001 0.000 0.341 327 H C 0.511 175.744 175.328 -0.157 0.000 1.060 327 H CA 0.510 56.444 56.048 -0.189 0.000 1.444 327 H CB 1.103 30.687 29.762 -0.297 0.000 1.446 327 H HN 0.654 nan 8.280 nan 0.000 0.583 328 S N 1.648 117.338 115.700 -0.016 0.000 2.632 328 S HA 0.329 4.799 4.470 0.001 0.000 0.237 328 S C 0.903 175.594 174.600 0.150 0.000 1.037 328 S CA 0.088 58.386 58.200 0.164 0.000 1.009 328 S CB 1.157 64.580 63.200 0.372 0.000 0.974 328 S HN 1.092 nan 8.310 nan 0.000 0.544 329 G N 1.020 109.810 108.800 -0.017 0.000 2.603 329 G HA2 0.017 3.977 3.960 0.001 0.000 0.686 329 G HA3 0.017 3.977 3.960 0.001 0.000 0.686 329 G C 0.208 175.158 174.900 0.084 0.000 1.286 329 G CA 0.227 45.340 45.100 0.021 0.000 0.871 329 G HN 0.989 nan 8.290 nan 0.000 0.568 330 T N -3.477 111.113 114.554 0.061 0.000 2.958 330 T HA 0.467 4.817 4.350 0.001 0.000 0.256 330 T C 1.780 176.538 174.700 0.098 0.000 0.983 330 T CA 1.438 63.594 62.100 0.093 0.000 0.924 330 T CB 0.468 69.284 68.868 -0.085 0.000 1.136 330 T HN 2.297 nan 8.240 nan 0.000 0.506 331 V N 0.730 120.672 119.914 0.046 0.000 0.441 331 V HA -0.328 3.793 4.120 0.001 0.000 0.092 331 V C 2.029 178.114 176.094 -0.014 0.000 2.557 331 V CA 1.937 64.244 62.300 0.012 0.000 3.721 331 V CB -1.919 29.892 31.823 -0.020 0.000 0.992 331 V HN 0.748 nan 8.190 nan 0.000 1.042 332 V N -0.988 118.884 119.914 -0.071 0.000 3.650 332 V HA 0.650 4.770 4.120 0.001 0.000 0.271 332 V C 1.319 177.308 176.094 -0.175 0.000 1.281 332 V CA 1.305 63.526 62.300 -0.132 0.000 1.120 332 V CB -0.134 31.531 31.823 -0.264 0.000 0.856 332 V HN 0.899 nan 8.190 nan 0.000 0.443 333 G N 1.491 110.180 108.800 -0.186 0.000 2.494 333 G HA2 0.233 4.194 3.960 0.001 0.000 0.270 333 G HA3 0.233 4.194 3.960 0.001 0.000 0.270 333 G C 0.765 175.414 174.900 -0.418 0.000 1.423 333 G CA 0.061 45.014 45.100 -0.244 0.000 1.055 333 G HN 0.540 nan 8.290 nan 0.000 0.536 334 K N -1.286 118.645 120.400 -0.782 0.000 2.366 334 K HA 0.157 4.477 4.320 0.001 0.000 0.198 334 K C 0.350 176.741 176.600 -0.349 0.000 1.044 334 K CA 0.392 56.124 56.287 -0.925 0.000 0.973 334 K CB -0.196 31.770 32.500 -0.889 0.000 0.767 334 K HN 0.202 nan 8.250 nan 0.000 0.475 335 L N 1.799 122.889 121.223 -0.223 0.000 2.331 335 L HA 0.298 4.638 4.340 0.001 0.000 0.275 335 L C -0.014 176.824 176.870 -0.053 0.000 1.022 335 L CA -1.074 53.697 54.840 -0.115 0.000 0.812 335 L CB 1.776 43.784 42.059 -0.085 0.000 1.257 335 L HN 0.118 nan 8.230 nan 0.000 0.435 336 E N 0.938 121.124 120.200 -0.023 0.000 2.392 336 E HA 0.433 4.783 4.350 0.001 0.000 0.264 336 E C -0.389 176.236 176.600 0.042 0.000 1.024 336 E CA 0.014 56.425 56.400 0.019 0.000 0.903 336 E CB 0.765 30.475 29.700 0.017 0.000 0.963 336 E HN 0.747 nan 8.360 nan 0.000 0.432 337 G N 3.940 112.778 108.800 0.063 0.000 2.139 337 G HA2 0.049 4.009 3.960 0.001 0.000 0.315 337 G HA3 0.049 4.009 3.960 0.001 0.000 0.315 337 G C -1.248 173.694 174.900 0.071 0.000 1.599 337 G CA -0.748 44.407 45.100 0.092 0.000 0.960 337 G HN 0.408 nan 8.290 nan 0.000 0.615 338 E N 1.726 121.975 120.200 0.082 0.000 2.301 338 E HA 0.216 4.566 4.350 0.001 0.000 0.275 338 E C 1.295 177.888 176.600 -0.012 0.000 1.030 338 E CA -0.691 55.736 56.400 0.044 0.000 0.852 338 E CB 2.306 32.046 29.700 0.067 0.000 1.060 338 E HN 0.650 nan 8.360 nan 0.000 0.401 339 R N 2.469 122.943 120.500 -0.043 0.000 2.097 339 R HA -0.199 4.142 4.340 0.001 0.000 0.236 339 R C 0.915 177.137 176.300 -0.130 0.000 1.135 339 R CA 1.972 58.010 56.100 -0.104 0.000 0.934 339 R CB 0.068 30.314 30.300 -0.091 0.000 0.846 339 R HN 0.470 nan 8.270 nan 0.000 0.431 340 D N 0.342 120.691 120.400 -0.085 0.000 2.117 340 D HA -0.162 4.478 4.640 0.001 0.000 0.197 340 D C 2.025 178.263 176.300 -0.103 0.000 0.987 340 D CA 1.336 55.284 54.000 -0.087 0.000 0.829 340 D CB -0.211 40.558 40.800 -0.052 0.000 0.961 340 D HN 0.356 nan 8.370 nan 0.000 0.460 341 I N 0.977 121.511 120.570 -0.059 0.000 2.226 341 I HA -0.239 3.931 4.170 0.001 0.000 0.245 341 I C 2.307 178.256 176.117 -0.280 0.000 1.100 341 I CA 1.062 62.349 61.300 -0.023 0.000 1.374 341 I CB -0.289 37.812 38.000 0.168 0.000 1.057 341 I HN -0.008 nan 8.210 nan 0.000 0.413 342 T N 1.329 115.633 114.554 -0.418 0.000 2.708 342 T HA -0.138 4.213 4.350 0.001 0.000 0.266 342 T C 1.933 176.147 174.700 -0.810 0.000 1.037 342 T CA 1.205 62.731 62.100 -0.957 0.000 1.146 342 T CB -0.337 68.292 68.868 -0.398 0.000 0.865 342 T HN 0.247 nan 8.240 nan 0.000 0.435 343 L N 0.707 121.675 121.223 -0.425 0.000 2.191 343 L HA -0.022 4.318 4.340 0.001 0.000 0.212 343 L C 2.887 179.632 176.870 -0.208 0.000 1.103 343 L CA 1.061 55.731 54.840 -0.283 0.000 0.769 343 L CB -0.912 41.023 42.059 -0.207 0.000 0.908 343 L HN 0.360 nan 8.230 nan 0.000 0.438 344 G N 1.120 109.787 108.800 -0.222 0.000 2.453 344 G HA2 -0.306 3.654 3.960 0.001 0.000 0.215 344 G HA3 -0.306 3.654 3.960 0.001 0.000 0.215 344 G C 1.254 176.173 174.900 0.031 0.000 1.201 344 G CA 0.931 45.984 45.100 -0.078 0.000 0.784 344 G HN 0.473 nan 8.290 nan 0.000 0.545 345 F N 0.525 120.555 119.950 0.132 0.000 2.661 345 F HA 0.271 4.798 4.527 0.001 0.000 0.298 345 F C 2.108 177.989 175.800 0.135 0.000 1.137 345 F CA -0.177 57.915 58.000 0.152 0.000 1.454 345 F CB -0.809 38.322 39.000 0.219 0.000 1.103 345 F HN -0.007 nan 8.300 nan 0.000 0.577 346 V N 1.125 121.142 119.914 0.172 0.000 2.427 346 V HA -0.221 3.900 4.120 0.001 0.000 0.248 346 V C 2.032 178.204 176.094 0.130 0.000 1.051 346 V CA 2.171 64.591 62.300 0.200 0.000 1.048 346 V CB -0.606 31.285 31.823 0.114 0.000 0.666 346 V HN 0.228 nan 8.190 nan 0.000 0.456 347 D N 0.066 120.520 120.400 0.089 0.000 2.144 347 D HA -0.083 4.557 4.640 0.001 0.000 0.200 347 D C 2.079 178.450 176.300 0.119 0.000 0.978 347 D CA 1.023 55.074 54.000 0.084 0.000 0.833 347 D CB -0.179 40.660 40.800 0.064 0.000 0.961 347 D HN 0.331 nan 8.370 nan 0.000 0.470 348 L N 0.068 121.397 121.223 0.176 0.000 2.275 348 L HA -0.088 4.253 4.340 0.001 0.000 0.215 348 L C 2.248 179.165 176.870 0.078 0.000 1.119 348 L CA 0.479 55.472 54.840 0.254 0.000 0.790 348 L CB -0.103 42.142 42.059 0.309 0.000 0.919 348 L HN 0.051 nan 8.230 nan 0.000 0.443 349 L N -1.265 119.970 121.223 0.021 0.000 2.249 349 L HA -0.016 4.324 4.340 0.001 0.000 0.207 349 L C 2.561 179.315 176.870 -0.193 0.000 1.090 349 L CA 0.690 55.455 54.840 -0.126 0.000 0.802 349 L CB -0.123 41.939 42.059 0.006 0.000 0.947 349 L HN 0.152 nan 8.230 nan 0.000 0.453 350 R N -0.877 119.573 120.500 -0.084 0.000 2.146 350 R HA 0.087 4.427 4.340 0.001 0.000 0.206 350 R C -0.009 176.255 176.300 -0.061 0.000 1.049 350 R CA 0.021 56.081 56.100 -0.067 0.000 1.029 350 R CB 0.182 30.486 30.300 0.006 0.000 0.949 350 R HN 0.213 nan 8.270 nan 0.000 0.471 351 D N 0.462 120.856 120.400 -0.010 0.000 2.383 351 D HA -0.009 4.631 4.640 0.001 0.000 0.248 351 D C 0.231 176.600 176.300 0.115 0.000 1.170 351 D CA 0.039 54.079 54.000 0.067 0.000 0.977 351 D CB 0.873 41.750 40.800 0.128 0.000 1.120 351 D HN -0.077 nan 8.370 nan 0.000 0.481 352 D N -1.693 118.837 120.400 0.217 0.000 2.346 352 D HA -0.033 4.607 4.640 0.001 0.000 0.206 352 D C -0.844 175.754 176.300 0.497 0.000 1.001 352 D CA 0.186 54.388 54.000 0.336 0.000 0.871 352 D CB 0.258 41.193 40.800 0.224 0.000 0.943 352 D HN 0.295 nan 8.370 nan 0.000 0.518 353 Y N -0.538 119.911 120.300 0.248 0.000 2.442 353 Y HA 0.420 4.970 4.550 0.001 0.000 0.330 353 Y C -1.633 174.362 175.900 0.158 0.000 1.100 353 Y CA -0.737 57.470 58.100 0.179 0.000 1.034 353 Y CB 1.802 40.325 38.460 0.105 0.000 1.285 353 Y HN -0.289 nan 8.280 nan 0.000 0.440 354 T N 5.561 119.907 114.554 -0.347 0.000 2.937 354 T HA 0.277 4.628 4.350 0.001 0.000 0.297 354 T C -0.923 173.517 174.700 -0.434 0.000 0.991 354 T CA -0.781 61.181 62.100 -0.229 0.000 0.990 354 T CB 1.404 70.271 68.868 -0.002 0.000 0.991 354 T HN 0.609 nan 8.240 nan 0.000 0.440 355 E N 1.913 121.921 120.200 -0.319 0.000 2.349 355 E HA 0.203 4.554 4.350 0.001 0.000 0.265 355 E C 0.227 176.771 176.600 -0.093 0.000 1.064 355 E CA -0.705 55.566 56.400 -0.216 0.000 0.886 355 E CB 0.948 30.622 29.700 -0.044 0.000 1.036 355 E HN 0.410 nan 8.360 nan 0.000 0.413 356 K N 2.040 122.407 120.400 -0.055 0.000 2.550 356 K HA -0.137 4.183 4.320 0.001 0.000 0.280 356 K C -0.878 175.688 176.600 -0.056 0.000 0.987 356 K CA 0.741 57.005 56.287 -0.037 0.000 1.048 356 K CB 0.304 32.794 32.500 -0.017 0.000 0.879 356 K HN 0.334 nan 8.250 nan 0.000 0.491 357 D N 3.868 124.217 120.400 -0.084 0.000 2.351 357 D HA 0.144 4.784 4.640 0.001 0.000 0.235 357 D C 0.234 176.446 176.300 -0.147 0.000 1.331 357 D CA -0.469 53.477 54.000 -0.091 0.000 0.959 357 D CB 0.550 41.314 40.800 -0.059 0.000 1.432 357 D HN 0.480 nan 8.370 nan 0.000 0.544 358 R N 0.714 121.097 120.500 -0.195 0.000 2.241 358 R HA -0.058 4.282 4.340 0.001 0.000 0.224 358 R C 1.709 177.893 176.300 -0.193 0.000 1.101 358 R CA 1.044 56.972 56.100 -0.286 0.000 0.995 358 R CB -0.491 29.639 30.300 -0.283 0.000 0.870 358 R HN 0.479 nan 8.270 nan 0.000 0.463 359 S N -0.166 115.461 115.700 -0.122 0.000 2.522 359 S HA 0.014 4.485 4.470 0.001 0.000 0.227 359 S C 1.498 176.054 174.600 -0.073 0.000 0.986 359 S CA 0.388 58.538 58.200 -0.083 0.000 0.929 359 S CB 0.095 63.260 63.200 -0.060 0.000 0.769 359 S HN 0.244 nan 8.310 nan 0.000 0.529 360 R N 0.086 120.535 120.500 -0.085 0.000 2.543 360 R HA 0.315 4.656 4.340 0.001 0.000 0.323 360 R C 1.047 177.312 176.300 -0.059 0.000 1.002 360 R CA 0.320 56.382 56.100 -0.064 0.000 1.106 360 R CB 0.561 30.826 30.300 -0.058 0.000 1.280 360 R HN 0.500 nan 8.270 nan 0.000 0.549 361 G N 1.852 110.588 108.800 -0.107 0.000 2.143 361 G HA2 -0.261 3.699 3.960 0.001 0.000 0.248 361 G HA3 -0.261 3.699 3.960 0.001 0.000 0.248 361 G C 0.100 174.985 174.900 -0.026 0.000 0.991 361 G CA -0.128 44.918 45.100 -0.090 0.000 0.689 361 G HN 0.271 nan 8.290 nan 0.000 0.522 362 I N 0.796 121.313 120.570 -0.089 0.000 2.307 362 I HA 0.323 4.493 4.170 0.001 0.000 0.287 362 I C 1.201 177.260 176.117 -0.097 0.000 1.054 362 I CA -0.968 60.332 61.300 0.001 0.000 1.218 362 I CB 0.487 38.488 38.000 0.002 0.000 1.398 362 I HN 0.057 nan 8.210 nan 0.000 0.475 363 Y N 5.106 125.295 120.300 -0.185 0.000 2.457 363 Y HA 0.129 4.679 4.550 0.001 0.000 0.292 363 Y C 0.281 175.849 175.900 -0.554 0.000 1.125 363 Y CA 0.603 58.456 58.100 -0.412 0.000 1.254 363 Y CB -0.047 38.010 38.460 -0.672 0.000 1.012 363 Y HN 0.306 nan 8.280 nan 0.000 0.555 364 F N -1.957 118.102 119.950 0.182 0.000 2.599 364 F HA 0.402 4.930 4.527 0.001 0.000 0.311 364 F C 0.184 175.980 175.800 -0.006 0.000 1.076 364 F CA -1.743 56.314 58.000 0.095 0.000 0.937 364 F CB 1.004 40.060 39.000 0.093 0.000 1.282 364 F HN -0.511 nan 8.300 nan 0.000 0.460 365 T N 1.607 116.257 114.554 0.160 0.000 2.884 365 T HA 0.331 4.682 4.350 0.001 0.000 0.298 365 T C -0.591 174.058 174.700 -0.085 0.000 0.998 365 T CA -0.101 61.972 62.100 -0.046 0.000 1.124 365 T CB 0.790 69.623 68.868 -0.059 0.000 0.931 365 T HN 0.452 nan 8.240 nan 0.000 0.531 366 Q N 1.993 121.665 119.800 -0.214 0.000 2.321 366 Q HA 0.537 4.877 4.340 0.001 0.000 0.270 366 Q C -1.232 174.573 176.000 -0.325 0.000 1.032 366 Q CA -0.380 55.260 55.803 -0.272 0.000 0.784 366 Q CB 1.521 30.116 28.738 -0.239 0.000 1.264 366 Q HN 0.592 nan 8.270 nan 0.000 0.448 367 S N 3.057 118.575 115.700 -0.305 0.000 2.537 367 S HA 0.474 4.944 4.470 0.001 0.000 0.301 367 S C -0.741 173.653 174.600 -0.343 0.000 1.092 367 S CA -0.506 57.640 58.200 -0.090 0.000 1.048 367 S CB 0.589 63.853 63.200 0.107 0.000 1.053 367 S HN 0.819 nan 8.310 nan 0.000 0.501 368 W N 0.818 122.167 121.300 0.081 0.000 2.870 368 W HA 0.225 4.885 4.660 0.001 0.000 0.358 368 W C 0.465 177.007 176.519 0.039 0.000 1.043 368 W CA -0.462 56.907 57.345 0.040 0.000 1.692 368 W CB -0.132 29.345 29.460 0.029 0.000 1.100 368 W HN 0.591 nan 8.180 nan 0.000 0.557 369 V N -0.092 119.948 119.914 0.210 0.000 5.726 369 V HA -0.367 3.753 4.120 0.001 0.000 0.260 369 V C 0.660 176.839 176.094 0.141 0.000 0.657 369 V CA 0.631 63.015 62.300 0.140 0.000 0.584 369 V CB -2.535 29.343 31.823 0.092 0.000 0.241 369 V HN 0.476 nan 8.190 nan 0.000 0.652 370 S N -1.620 114.173 115.700 0.155 0.000 3.490 370 S HA -0.199 4.272 4.470 0.001 0.000 0.301 370 S C 0.656 175.314 174.600 0.098 0.000 1.233 370 S CA 1.334 59.601 58.200 0.111 0.000 0.914 370 S CB -1.650 61.595 63.200 0.075 0.000 1.047 370 S HN 1.492 nan 8.310 nan 0.000 0.602 371 T N 3.516 118.156 114.554 0.143 0.000 2.870 371 T HA 0.342 4.692 4.350 0.001 0.000 0.300 371 T C -1.845 172.852 174.700 -0.006 0.000 0.989 371 T CA -0.635 61.519 62.100 0.090 0.000 1.139 371 T CB 0.492 69.463 68.868 0.173 0.000 0.920 371 T HN 0.054 nan 8.240 nan 0.000 0.537 372 P HA 0.190 nan 4.420 nan 0.000 0.267 372 P C 0.378 177.599 177.300 -0.132 0.000 1.201 372 P CA -0.149 62.920 63.100 -0.052 0.000 0.775 372 P CB 0.370 32.053 31.700 -0.030 0.000 0.854 373 G N 0.807 109.542 108.800 -0.109 0.000 2.537 373 G HA2 0.452 4.412 3.960 0.001 0.000 0.273 373 G HA3 0.452 4.412 3.960 0.001 0.000 0.273 373 G C -0.890 173.942 174.900 -0.114 0.000 1.189 373 G CA -0.385 44.622 45.100 -0.155 0.000 0.881 373 G HN 0.364 nan 8.290 nan 0.000 0.535 374 V N 1.378 121.213 119.914 -0.131 0.000 2.513 374 V HA 0.303 4.423 4.120 0.001 0.000 0.299 374 V C 0.339 176.410 176.094 -0.038 0.000 1.035 374 V CA -0.696 61.556 62.300 -0.081 0.000 0.889 374 V CB 1.679 33.427 31.823 -0.125 0.000 0.988 374 V HN 0.570 nan 8.190 nan 0.000 0.440 375 L N 7.708 128.926 121.223 -0.007 0.000 2.361 375 L HA 0.301 4.641 4.340 0.001 0.000 0.278 375 L C -1.953 174.865 176.870 -0.087 0.000 1.113 375 L CA -1.302 53.506 54.840 -0.054 0.000 0.849 375 L CB 1.378 43.356 42.059 -0.135 0.000 1.155 375 L HN 0.441 nan 8.230 nan 0.000 0.452 376 P HA 0.125 nan 4.420 nan 0.000 0.279 376 P C -0.953 176.210 177.300 -0.229 0.000 1.239 376 P CA -0.275 62.785 63.100 -0.066 0.000 0.789 376 P CB 1.761 33.494 31.700 0.055 0.000 0.933 377 V N 2.769 122.523 119.914 -0.266 0.000 2.407 377 V HA 0.485 4.605 4.120 0.001 0.000 0.291 377 V C 0.421 176.205 176.094 -0.517 0.000 1.018 377 V CA -0.832 61.228 62.300 -0.400 0.000 0.842 377 V CB 1.266 32.866 31.823 -0.370 0.000 0.996 377 V HN 0.694 nan 8.190 nan 0.000 0.426 378 A N 3.885 126.334 122.820 -0.618 0.000 2.276 378 A HA 0.813 5.133 4.320 0.001 0.000 0.300 378 A C 0.089 177.392 177.584 -0.469 0.000 1.235 378 A CA -0.164 51.522 52.037 -0.584 0.000 0.867 378 A CB 0.905 19.429 19.000 -0.794 0.000 1.137 378 A HN 0.879 nan 8.150 nan 0.000 0.527 379 S N 1.644 117.127 115.700 -0.362 0.000 2.537 379 S HA 0.748 5.218 4.470 0.001 0.000 0.270 379 S C -0.521 173.964 174.600 -0.192 0.000 1.142 379 S CA 0.402 58.417 58.200 -0.309 0.000 0.870 379 S CB 1.350 64.389 63.200 -0.270 0.000 1.112 379 S HN 2.584 nan 8.310 nan 0.000 0.466 380 G N 1.584 110.268 108.800 -0.193 0.000 2.949 380 G HA2 0.448 4.408 3.960 0.001 0.000 0.658 380 G HA3 0.448 4.408 3.960 0.001 0.000 0.658 380 G C 0.854 175.630 174.900 -0.206 0.000 1.194 380 G CA 0.313 45.322 45.100 -0.153 0.000 1.204 380 G HN 2.161 nan 8.290 nan 0.000 0.524 381 G N 0.302 109.008 108.800 -0.156 0.000 2.198 381 G HA2 -0.021 3.939 3.960 0.001 0.000 0.260 381 G HA3 -0.021 3.939 3.960 0.001 0.000 0.260 381 G C 0.596 175.538 174.900 0.071 0.000 1.025 381 G CA 1.043 46.075 45.100 -0.114 0.000 0.769 381 G HN 2.260 nan 8.290 nan 0.000 0.507 382 I N -2.337 118.238 120.570 0.008 0.000 2.707 382 I HA 0.970 5.141 4.170 0.001 0.000 0.309 382 I C 0.188 176.495 176.117 0.317 0.000 1.001 382 I CA -1.433 59.968 61.300 0.167 0.000 1.129 382 I CB 1.793 39.751 38.000 -0.071 0.000 1.308 382 I HN 0.315 nan 8.210 nan 0.000 0.466 383 H N 1.130 120.493 119.070 0.488 0.000 2.942 383 H HA 0.456 5.013 4.556 0.001 0.000 0.316 383 H C 0.677 176.060 175.328 0.090 0.000 1.323 383 H CA -0.441 55.672 56.048 0.107 0.000 1.144 383 H CB 0.512 30.076 29.762 -0.330 0.000 1.866 383 H HN 0.370 nan 8.280 nan 0.000 0.545 384 V N -2.822 117.156 119.914 0.108 0.000 2.313 384 V HA -0.306 3.814 4.120 0.001 0.000 0.253 384 V C 1.393 177.466 176.094 -0.036 0.000 1.070 384 V CA 2.062 64.305 62.300 -0.095 0.000 1.057 384 V CB -1.315 30.350 31.823 -0.264 0.000 0.653 384 V HN 0.802 nan 8.190 nan 0.000 0.450 385 W N 0.376 121.805 121.300 0.215 0.000 2.525 385 W HA 0.039 4.700 4.660 0.001 0.000 0.259 385 W C 2.447 178.977 176.519 0.018 0.000 1.253 385 W CA 1.292 58.690 57.345 0.088 0.000 1.262 385 W CB -0.600 28.936 29.460 0.127 0.000 1.122 385 W HN 0.411 nan 8.180 nan 0.000 0.607 386 H N -1.389 117.807 119.070 0.211 0.000 2.551 386 H HA -0.016 4.541 4.556 0.001 0.000 0.266 386 H C 2.035 177.450 175.328 0.145 0.000 0.964 386 H CA 0.463 56.580 56.048 0.114 0.000 1.180 386 H CB 0.042 29.804 29.762 0.000 0.000 1.408 386 H HN -0.032 nan 8.280 nan 0.000 0.563 387 M N 1.437 121.186 119.600 0.248 0.000 2.089 387 M HA -0.115 4.365 4.480 0.001 0.000 0.257 387 M C -1.037 175.359 176.300 0.159 0.000 1.071 387 M CA 1.800 57.213 55.300 0.189 0.000 1.096 387 M CB -0.585 32.060 32.600 0.076 0.000 1.330 387 M HN 0.107 nan 8.290 nan 0.000 0.403 388 P HA -0.077 nan 4.420 nan 0.000 0.215 388 P C 1.146 178.516 177.300 0.117 0.000 1.157 388 P CA 2.212 65.382 63.100 0.117 0.000 0.863 388 P CB -0.309 31.461 31.700 0.117 0.000 0.787 389 A N -0.620 122.281 122.820 0.135 0.000 1.902 389 A HA -0.176 4.145 4.320 0.001 0.000 0.217 389 A C 2.227 179.872 177.584 0.102 0.000 1.181 389 A CA 1.527 53.625 52.037 0.103 0.000 0.623 389 A CB -1.715 17.353 19.000 0.113 0.000 0.818 389 A HN 0.095 nan 8.150 nan 0.000 0.443 390 L N -0.817 120.507 121.223 0.169 0.000 2.017 390 L HA -0.170 4.170 4.340 0.001 0.000 0.208 390 L C 2.799 179.828 176.870 0.266 0.000 1.073 390 L CA 1.820 56.818 54.840 0.263 0.000 0.745 390 L CB -0.970 41.244 42.059 0.258 0.000 0.894 390 L HN 0.342 nan 8.230 nan 0.000 0.432 391 T N -1.168 113.495 114.554 0.181 0.000 2.788 391 T HA -0.204 4.147 4.350 0.001 0.000 0.268 391 T C 1.842 176.603 174.700 0.103 0.000 1.044 391 T CA 1.229 63.417 62.100 0.146 0.000 1.139 391 T CB -0.140 68.794 68.868 0.111 0.000 0.867 391 T HN 0.309 nan 8.240 nan 0.000 0.454 392 E N 0.842 121.083 120.200 0.069 0.000 2.072 392 E HA -0.074 4.277 4.350 0.001 0.000 0.191 392 E C 2.201 178.780 176.600 -0.035 0.000 0.985 392 E CA 0.894 57.308 56.400 0.023 0.000 0.801 392 E CB -0.180 29.531 29.700 0.019 0.000 0.750 392 E HN 0.498 nan 8.360 nan 0.000 0.452 393 I N -0.278 120.233 120.570 -0.098 0.000 2.193 393 I HA -0.236 3.935 4.170 0.001 0.000 0.240 393 I C 2.065 177.944 176.117 -0.396 0.000 1.084 393 I CA 1.064 62.170 61.300 -0.323 0.000 1.365 393 I CB -0.260 37.392 38.000 -0.580 0.000 1.064 393 I HN 0.030 nan 8.210 nan 0.000 0.410 394 F N 0.609 120.554 119.950 -0.008 0.000 2.473 394 F HA 0.293 4.820 4.527 0.001 0.000 0.294 394 F C 1.587 177.389 175.800 0.003 0.000 1.103 394 F CA 0.644 58.639 58.000 -0.008 0.000 1.442 394 F CB -0.748 38.244 39.000 -0.013 0.000 1.097 394 F HN 0.170 nan 8.300 nan 0.000 0.547 395 G N 0.600 109.498 108.800 0.164 0.000 2.741 395 G HA2 -0.263 3.697 3.960 0.001 0.000 0.222 395 G HA3 -0.263 3.697 3.960 0.001 0.000 0.222 395 G C 0.197 175.166 174.900 0.115 0.000 1.364 395 G CA -0.054 45.112 45.100 0.110 0.000 0.866 395 G HN 0.120 nan 8.290 nan 0.000 0.555 396 D N 0.444 120.895 120.400 0.086 0.000 2.144 396 D HA 0.004 4.645 4.640 0.001 0.000 0.199 396 D C 0.919 177.259 176.300 0.067 0.000 0.984 396 D CA 1.420 55.466 54.000 0.076 0.000 0.834 396 D CB -0.130 40.714 40.800 0.072 0.000 0.955 396 D HN 0.410 nan 8.370 nan 0.000 0.465 397 D N 0.875 121.317 120.400 0.070 0.000 2.508 397 D HA 0.172 4.812 4.640 0.001 0.000 0.224 397 D C 0.102 176.422 176.300 0.033 0.000 1.171 397 D CA 0.123 54.153 54.000 0.050 0.000 1.006 397 D CB 0.041 40.873 40.800 0.053 0.000 1.073 397 D HN 0.041 nan 8.370 nan 0.000 0.513 398 S N -1.091 114.605 115.700 -0.006 0.000 2.615 398 S HA 0.563 5.034 4.470 0.001 0.000 0.268 398 S C -1.124 173.405 174.600 -0.118 0.000 1.146 398 S CA -0.937 57.209 58.200 -0.090 0.000 0.818 398 S CB 1.603 64.742 63.200 -0.102 0.000 1.111 398 S HN -0.061 nan 8.310 nan 0.000 0.465 399 V N 1.609 121.401 119.914 -0.202 0.000 2.483 399 V HA 0.501 4.622 4.120 0.001 0.000 0.297 399 V C -0.862 175.108 176.094 -0.206 0.000 1.027 399 V CA -0.595 61.622 62.300 -0.138 0.000 0.855 399 V CB 1.216 32.950 31.823 -0.148 0.000 0.995 399 V HN 0.813 nan 8.190 nan 0.000 0.424 400 L N 5.128 126.279 121.223 -0.121 0.000 2.272 400 L HA 0.595 4.935 4.340 0.001 0.000 0.289 400 L C -0.157 176.575 176.870 -0.231 0.000 1.032 400 L CA -0.372 54.340 54.840 -0.212 0.000 0.810 400 L CB 1.306 43.363 42.059 -0.004 0.000 1.205 400 L HN 0.616 nan 8.230 nan 0.000 0.422 401 Q N 3.632 123.145 119.800 -0.477 0.000 2.316 401 Q HA 0.546 4.886 4.340 0.001 0.000 0.264 401 Q C -1.515 174.105 176.000 -0.633 0.000 0.987 401 Q CA -0.508 55.080 55.803 -0.358 0.000 0.852 401 Q CB 2.510 31.115 28.738 -0.221 0.000 1.287 401 Q HN 0.397 nan 8.270 nan 0.000 0.448 402 F N 0.769 120.688 119.950 -0.053 0.000 2.513 402 F HA 0.376 4.904 4.527 0.001 0.000 0.358 402 F C 0.852 176.628 175.800 -0.041 0.000 1.118 402 F CA -0.684 57.283 58.000 -0.054 0.000 1.037 402 F CB 1.365 40.331 39.000 -0.056 0.000 1.276 402 F HN 0.738 nan 8.300 nan 0.000 0.446 403 G N 1.598 110.440 108.800 0.070 0.000 2.655 403 G HA2 0.086 4.047 3.960 0.001 0.000 0.217 403 G HA3 0.086 4.047 3.960 0.001 0.000 0.217 403 G C 1.736 176.683 174.900 0.080 0.000 1.279 403 G CA 0.557 45.693 45.100 0.060 0.000 0.870 403 G HN 0.761 nan 8.290 nan 0.000 0.560 404 G N 0.608 109.447 108.800 0.065 0.000 2.448 404 G HA2 0.102 4.062 3.960 0.001 0.000 0.219 404 G HA3 0.102 4.062 3.960 0.001 0.000 0.219 404 G C 1.633 176.576 174.900 0.072 0.000 1.127 404 G CA 1.298 46.453 45.100 0.091 0.000 0.766 404 G HN 0.675 nan 8.290 nan 0.000 0.552 405 G N -0.696 108.096 108.800 -0.013 0.000 2.625 405 G HA2 0.129 4.090 3.960 0.001 0.000 0.214 405 G HA3 0.129 4.090 3.960 0.001 0.000 0.214 405 G C 1.406 176.353 174.900 0.078 0.000 1.132 405 G CA 1.532 46.531 45.100 -0.168 0.000 0.782 405 G HN 0.404 nan 8.290 nan 0.000 0.538 406 T N 0.041 114.694 114.554 0.165 0.000 3.138 406 T HA 0.099 4.450 4.350 0.001 0.000 0.245 406 T C 1.864 176.676 174.700 0.188 0.000 0.982 406 T CA -0.143 62.053 62.100 0.160 0.000 1.134 406 T CB 0.014 68.938 68.868 0.093 0.000 1.032 406 T HN 0.050 nan 8.240 nan 0.000 0.442 407 L N 1.655 122.970 121.223 0.154 0.000 2.610 407 L HA 0.296 4.636 4.340 0.001 0.000 0.232 407 L C 2.195 179.183 176.870 0.196 0.000 1.149 407 L CA 0.774 55.696 54.840 0.136 0.000 0.872 407 L CB -0.299 41.809 42.059 0.082 0.000 0.992 407 L HN 0.358 nan 8.230 nan 0.000 0.447 408 G N -2.991 105.996 108.800 0.312 0.000 3.088 408 G HA2 -0.075 3.885 3.960 0.001 0.000 0.217 408 G HA3 -0.075 3.885 3.960 0.001 0.000 0.217 408 G C 0.534 175.627 174.900 0.322 0.000 1.159 408 G CA -0.276 45.057 45.100 0.388 0.000 0.760 408 G HN 0.285 nan 8.290 nan 0.000 0.550 409 H N 2.016 121.212 119.070 0.211 0.000 2.848 409 H HA 0.098 4.654 4.556 0.001 0.000 0.341 409 H C -1.046 174.240 175.328 -0.070 0.000 1.060 409 H CA -1.185 54.853 56.048 -0.017 0.000 1.444 409 H CB 2.065 31.831 29.762 0.005 0.000 1.446 409 H HN 0.014 nan 8.280 nan 0.000 0.583 410 P HA -0.137 nan 4.420 nan 0.000 0.221 410 P C 0.611 178.133 177.300 0.369 0.000 1.145 410 P CA 1.087 64.160 63.100 -0.046 0.000 0.795 410 P CB 0.104 31.665 31.700 -0.233 0.000 0.775 411 W N 0.301 121.785 121.300 0.307 0.000 3.220 411 W HA 0.510 5.171 4.660 0.001 0.000 0.328 411 W C 1.069 177.635 176.519 0.079 0.000 1.205 411 W CA 0.405 57.849 57.345 0.164 0.000 1.773 411 W CB -0.531 29.015 29.460 0.144 0.000 1.086 411 W HN 0.058 nan 8.180 nan 0.000 0.622 412 G N 0.847 109.824 108.800 0.294 0.000 2.498 412 G HA2 -0.276 3.684 3.960 0.001 0.000 0.651 412 G HA3 -0.276 3.684 3.960 0.001 0.000 0.651 412 G C 0.602 175.537 174.900 0.058 0.000 1.284 412 G CA -0.247 44.937 45.100 0.141 0.000 0.950 412 G HN -0.053 nan 8.290 nan 0.000 0.511 413 N N 0.025 118.735 118.700 0.018 0.000 2.058 413 N HA -0.021 4.719 4.740 0.001 0.000 0.191 413 N C 2.783 178.242 175.510 -0.085 0.000 1.037 413 N CA 2.813 55.847 53.050 -0.027 0.000 0.848 413 N CB -0.722 37.741 38.487 -0.039 0.000 1.021 413 N HN 1.150 nan 8.380 nan 0.000 0.422 414 A N 1.357 124.117 122.820 -0.100 0.000 1.865 414 A HA -0.071 4.249 4.320 0.001 0.000 0.217 414 A C -0.139 177.362 177.584 -0.138 0.000 1.191 414 A CA 1.513 53.475 52.037 -0.124 0.000 0.623 414 A CB -1.578 17.351 19.000 -0.119 0.000 0.826 414 A HN 0.239 nan 8.150 nan 0.000 0.444 415 P HA -0.050 nan 4.420 nan 0.000 0.218 415 P C 1.671 178.607 177.300 -0.608 0.000 1.149 415 P CA 1.576 64.499 63.100 -0.294 0.000 0.817 415 P CB -0.275 31.322 31.700 -0.171 0.000 0.785 416 G N 0.069 108.546 108.800 -0.538 0.000 2.408 416 G HA2 -0.222 3.738 3.960 0.001 0.000 0.217 416 G HA3 -0.222 3.738 3.960 0.001 0.000 0.217 416 G C 1.604 176.408 174.900 -0.161 0.000 1.150 416 G CA 0.858 45.775 45.100 -0.306 0.000 0.776 416 G HN 0.291 nan 8.290 nan 0.000 0.542 417 A N 0.227 122.961 122.820 -0.144 0.000 1.873 417 A HA 0.110 4.430 4.320 0.001 0.000 0.215 417 A C 2.598 180.105 177.584 -0.128 0.000 1.186 417 A CA 1.712 53.681 52.037 -0.113 0.000 0.616 417 A CB -0.648 18.294 19.000 -0.096 0.000 0.823 417 A HN 0.234 nan 8.150 nan 0.000 0.442 418 V N 0.120 119.952 119.914 -0.136 0.000 2.287 418 V HA -0.300 3.820 4.120 0.001 0.000 0.248 418 V C 3.074 179.090 176.094 -0.130 0.000 1.053 418 V CA 2.044 64.280 62.300 -0.107 0.000 1.027 418 V CB -1.378 30.394 31.823 -0.086 0.000 0.646 418 V HN 0.622 nan 8.190 nan 0.000 0.447 419 A N 0.477 123.192 122.820 -0.174 0.000 1.892 419 A HA -0.272 4.049 4.320 0.001 0.000 0.218 419 A C 2.091 179.549 177.584 -0.211 0.000 1.188 419 A CA 2.278 54.208 52.037 -0.178 0.000 0.631 419 A CB -0.691 18.245 19.000 -0.107 0.000 0.822 419 A HN 0.620 nan 8.150 nan 0.000 0.447 420 N N -0.829 117.724 118.700 -0.245 0.000 2.171 420 N HA -0.133 4.607 4.740 0.001 0.000 0.184 420 N C 1.892 177.269 175.510 -0.221 0.000 1.021 420 N CA 1.485 54.316 53.050 -0.366 0.000 0.854 420 N CB -0.390 37.777 38.487 -0.533 0.000 0.994 420 N HN 0.474 nan 8.380 nan 0.000 0.426 421 R N 1.373 121.790 120.500 -0.139 0.000 2.081 421 R HA 0.025 4.366 4.340 0.001 0.000 0.235 421 R C 1.992 178.267 176.300 -0.041 0.000 1.131 421 R CA 0.955 57.012 56.100 -0.071 0.000 0.960 421 R CB -0.808 29.461 30.300 -0.051 0.000 0.856 421 R HN -0.031 nan 8.270 nan 0.000 0.436 422 V N 0.871 120.756 119.914 -0.048 0.000 2.295 422 V HA -0.206 3.915 4.120 0.001 0.000 0.246 422 V C 2.363 178.434 176.094 -0.040 0.000 1.049 422 V CA 1.958 64.258 62.300 -0.001 0.000 1.024 422 V CB -0.992 30.789 31.823 -0.069 0.000 0.648 422 V HN 0.541 nan 8.190 nan 0.000 0.447 423 A N -0.184 122.559 122.820 -0.127 0.000 1.908 423 A HA -0.231 4.089 4.320 0.001 0.000 0.218 423 A C 2.178 179.729 177.584 -0.056 0.000 1.181 423 A CA 2.284 54.240 52.037 -0.136 0.000 0.627 423 A CB -0.620 18.255 19.000 -0.208 0.000 0.818 423 A HN 0.466 nan 8.150 nan 0.000 0.445 424 L N 0.148 121.345 121.223 -0.043 0.000 1.994 424 L HA -0.156 4.185 4.340 0.001 0.000 0.208 424 L C 2.234 179.123 176.870 0.033 0.000 1.071 424 L CA 2.523 57.370 54.840 0.010 0.000 0.745 424 L CB -0.717 41.353 42.059 0.019 0.000 0.892 424 L HN 0.519 nan 8.230 nan 0.000 0.431 425 E N -0.303 119.920 120.200 0.037 0.000 2.153 425 E HA -0.211 4.139 4.350 0.001 0.000 0.194 425 E C 2.107 178.753 176.600 0.077 0.000 0.988 425 E CA 1.025 57.460 56.400 0.058 0.000 0.811 425 E CB -0.294 29.445 29.700 0.066 0.000 0.746 425 E HN 0.680 nan 8.360 nan 0.000 0.466 426 A N 0.894 123.769 122.820 0.092 0.000 1.898 426 A HA -0.172 4.149 4.320 0.001 0.000 0.216 426 A C 2.428 180.057 177.584 0.075 0.000 1.181 426 A CA 1.068 53.173 52.037 0.113 0.000 0.620 426 A CB -0.731 18.333 19.000 0.107 0.000 0.819 426 A HN 0.331 nan 8.150 nan 0.000 0.442 427 C N -1.374 117.960 119.300 0.055 0.000 2.446 427 C HA -0.023 4.437 4.460 0.001 0.000 0.277 427 C C 2.741 177.765 174.990 0.057 0.000 1.275 427 C CA 0.927 59.979 59.018 0.055 0.000 1.727 427 C CB -1.138 26.636 27.740 0.057 0.000 2.010 427 C HN 0.453 nan 8.230 nan 0.000 0.486 428 V N 0.636 120.583 119.914 0.056 0.000 2.295 428 V HA -0.281 3.840 4.120 0.001 0.000 0.246 428 V C 2.522 178.645 176.094 0.048 0.000 1.049 428 V CA 2.210 64.541 62.300 0.053 0.000 1.024 428 V CB -0.876 30.978 31.823 0.051 0.000 0.648 428 V HN 0.626 nan 8.190 nan 0.000 0.447 429 Q N -0.090 119.740 119.800 0.050 0.000 2.050 429 Q HA -0.222 4.118 4.340 0.001 0.000 0.202 429 Q C 2.275 178.300 176.000 0.042 0.000 0.980 429 Q CA 2.070 57.899 55.803 0.043 0.000 0.840 429 Q CB -0.295 28.470 28.738 0.045 0.000 0.898 429 Q HN 0.618 nan 8.270 nan 0.000 0.424 430 A N 1.448 124.299 122.820 0.051 0.000 1.883 430 A HA -0.243 4.077 4.320 0.001 0.000 0.217 430 A C 2.152 179.761 177.584 0.041 0.000 1.186 430 A CA 1.664 53.730 52.037 0.048 0.000 0.624 430 A CB -0.777 18.256 19.000 0.055 0.000 0.822 430 A HN 0.465 nan 8.150 nan 0.000 0.444 431 R N -0.295 120.231 120.500 0.043 0.000 2.073 431 R HA -0.184 4.156 4.340 0.001 0.000 0.234 431 R C 1.622 177.942 176.300 0.033 0.000 1.134 431 R CA 1.926 58.049 56.100 0.039 0.000 0.952 431 R CB -0.417 29.909 30.300 0.043 0.000 0.850 431 R HN 0.504 nan 8.270 nan 0.000 0.433 432 N N 0.990 119.709 118.700 0.033 0.000 2.289 432 N HA -0.139 4.601 4.740 0.001 0.000 0.184 432 N C 0.946 176.470 175.510 0.023 0.000 1.016 432 N CA 1.250 54.316 53.050 0.028 0.000 0.872 432 N CB -0.062 38.442 38.487 0.027 0.000 0.973 432 N HN 0.467 nan 8.380 nan 0.000 0.433 433 E N -0.773 119.441 120.200 0.025 0.000 2.502 433 E HA 0.135 4.486 4.350 0.001 0.000 0.194 433 E C 0.705 177.317 176.600 0.021 0.000 1.062 433 E CA 0.305 56.718 56.400 0.021 0.000 0.867 433 E CB 0.163 29.876 29.700 0.023 0.000 0.888 433 E HN 0.404 nan 8.360 nan 0.000 0.510 434 G N 2.014 110.828 108.800 0.023 0.000 2.159 434 G HA2 -0.259 3.701 3.960 0.001 0.000 0.227 434 G HA3 -0.259 3.701 3.960 0.001 0.000 0.227 434 G C 0.127 175.041 174.900 0.024 0.000 0.986 434 G CA -0.345 44.768 45.100 0.021 0.000 0.651 434 G HN 0.117 nan 8.290 nan 0.000 0.523 435 R N 0.363 120.880 120.500 0.028 0.000 2.490 435 R HA 0.445 4.786 4.340 0.001 0.000 0.278 435 R C -0.575 175.743 176.300 0.031 0.000 1.069 435 R CA -0.413 55.705 56.100 0.030 0.000 1.080 435 R CB 0.631 30.953 30.300 0.036 0.000 1.030 435 R HN 0.167 nan 8.270 nan 0.000 0.491 436 D N 2.390 122.808 120.400 0.030 0.000 2.365 436 D HA 0.032 4.673 4.640 0.001 0.000 0.237 436 D C 0.667 176.989 176.300 0.037 0.000 1.190 436 D CA -0.303 53.715 54.000 0.030 0.000 0.867 436 D CB 0.848 41.663 40.800 0.025 0.000 1.050 436 D HN 0.247 nan 8.370 nan 0.000 0.491 437 L N 4.000 125.247 121.223 0.040 0.000 2.079 437 L HA -0.074 4.266 4.340 0.001 0.000 0.210 437 L C 2.277 179.178 176.870 0.052 0.000 1.081 437 L CA 1.754 56.624 54.840 0.050 0.000 0.752 437 L CB -0.910 41.180 42.059 0.052 0.000 0.896 437 L HN 0.611 nan 8.230 nan 0.000 0.433 438 A N -1.224 121.620 122.820 0.040 0.000 1.930 438 A HA -0.188 4.133 4.320 0.001 0.000 0.217 438 A C 2.499 180.106 177.584 0.040 0.000 1.175 438 A CA 1.594 53.653 52.037 0.037 0.000 0.627 438 A CB -0.318 18.695 19.000 0.022 0.000 0.815 438 A HN 0.297 nan 8.150 nan 0.000 0.443 439 R N -0.273 120.249 120.500 0.036 0.000 2.112 439 R HA 0.094 4.434 4.340 0.001 0.000 0.216 439 R C 1.282 177.608 176.300 0.043 0.000 1.080 439 R CA 1.370 57.490 56.100 0.034 0.000 0.996 439 R CB -0.045 30.271 30.300 0.026 0.000 0.902 439 R HN 0.606 nan 8.270 nan 0.000 0.449 440 E N -1.120 119.109 120.200 0.048 0.000 2.476 440 E HA 0.150 4.501 4.350 0.001 0.000 0.196 440 E C 1.331 177.975 176.600 0.073 0.000 1.029 440 E CA 0.254 56.687 56.400 0.056 0.000 0.896 440 E CB 0.718 30.448 29.700 0.049 0.000 1.012 440 E HN 0.437 nan 8.360 nan 0.000 0.475 441 G N 2.564 111.414 108.800 0.083 0.000 2.553 441 G HA2 -0.338 3.623 3.960 0.001 0.000 0.218 441 G HA3 -0.338 3.623 3.960 0.001 0.000 0.218 441 G C 1.495 176.483 174.900 0.147 0.000 1.195 441 G CA 0.887 46.052 45.100 0.108 0.000 0.779 441 G HN 0.196 nan 8.290 nan 0.000 0.577 442 N N 0.236 119.040 118.700 0.174 0.000 2.166 442 N HA -0.087 4.653 4.740 0.001 0.000 0.186 442 N C 2.374 178.012 175.510 0.213 0.000 1.019 442 N CA 1.630 54.840 53.050 0.267 0.000 0.856 442 N CB -0.612 37.990 38.487 0.192 0.000 0.993 442 N HN 0.297 nan 8.380 nan 0.000 0.426 443 T N 1.846 116.477 114.554 0.129 0.000 2.737 443 T HA 0.022 4.373 4.350 0.001 0.000 0.265 443 T C 2.150 176.897 174.700 0.078 0.000 1.038 443 T CA 0.612 62.770 62.100 0.095 0.000 1.144 443 T CB -0.141 68.769 68.868 0.070 0.000 0.866 443 T HN 0.177 nan 8.240 nan 0.000 0.434 444 I N 0.852 121.465 120.570 0.072 0.000 2.208 444 I HA -0.157 4.013 4.170 0.001 0.000 0.245 444 I C 2.206 178.330 176.117 0.012 0.000 1.097 444 I CA 1.001 62.333 61.300 0.054 0.000 1.363 444 I CB -0.368 37.666 38.000 0.057 0.000 1.051 444 I HN 0.192 nan 8.210 nan 0.000 0.413 445 I N 0.589 121.152 120.570 -0.011 0.000 2.252 445 I HA -0.204 3.966 4.170 0.001 0.000 0.245 445 I C 2.640 178.649 176.117 -0.179 0.000 1.102 445 I CA 1.492 62.700 61.300 -0.154 0.000 1.385 445 I CB -1.134 36.695 38.000 -0.284 0.000 1.064 445 I HN 0.264 nan 8.210 nan 0.000 0.414 446 R N 0.672 121.151 120.500 -0.036 0.000 2.096 446 R HA -0.163 4.177 4.340 0.001 0.000 0.235 446 R C 2.075 178.347 176.300 -0.046 0.000 1.127 446 R CA 1.168 57.264 56.100 -0.008 0.000 0.968 446 R CB -0.227 30.132 30.300 0.098 0.000 0.861 446 R HN 0.502 nan 8.270 nan 0.000 0.440 447 E N 0.671 120.864 120.200 -0.010 0.000 2.085 447 E HA -0.181 4.169 4.350 0.001 0.000 0.194 447 E C 2.019 178.592 176.600 -0.045 0.000 0.994 447 E CA 1.267 57.683 56.400 0.027 0.000 0.801 447 E CB -0.126 29.627 29.700 0.088 0.000 0.743 447 E HN 0.351 nan 8.360 nan 0.000 0.453 448 A N 1.310 124.029 122.820 -0.169 0.000 1.969 448 A HA -0.163 4.158 4.320 0.001 0.000 0.218 448 A C 2.421 179.470 177.584 -0.892 0.000 1.169 448 A CA 1.833 53.531 52.037 -0.565 0.000 0.635 448 A CB -0.978 17.771 19.000 -0.417 0.000 0.810 448 A HN 0.401 nan 8.150 nan 0.000 0.445 449 T N -2.594 111.664 114.554 -0.493 0.000 2.929 449 T HA -0.108 4.242 4.350 0.001 0.000 0.271 449 T C 1.739 176.251 174.700 -0.313 0.000 1.085 449 T CA 1.638 63.497 62.100 -0.402 0.000 1.125 449 T CB -0.189 68.527 68.868 -0.252 0.000 0.874 449 T HN 0.274 nan 8.240 nan 0.000 0.494 450 K N 0.866 121.113 120.400 -0.255 0.000 2.097 450 K HA 0.014 4.335 4.320 0.001 0.000 0.206 450 K C 1.837 178.443 176.600 0.011 0.000 1.049 450 K CA 1.544 57.790 56.287 -0.069 0.000 0.933 450 K CB -0.277 32.255 32.500 0.053 0.000 0.717 450 K HN 0.857 nan 8.250 nan 0.000 0.442 451 W N -2.154 119.143 121.300 -0.005 0.000 3.008 451 W HA 0.438 5.099 4.660 0.000 0.000 0.355 451 W C -0.081 176.440 176.519 0.002 0.000 1.095 451 W CA -0.430 56.916 57.345 0.001 0.000 1.738 451 W CB -0.133 29.326 29.460 -0.002 0.000 1.091 451 W HN -0.115 nan 8.180 nan 0.000 0.574 452 S N 2.689 118.141 115.700 -0.412 0.000 2.577 452 S HA 0.386 4.856 4.470 0.001 0.000 0.294 452 S C -1.653 172.826 174.600 -0.202 0.000 1.161 452 S CA -1.260 56.743 58.200 -0.329 0.000 1.143 452 S CB 1.289 64.040 63.200 -0.749 0.000 0.991 452 S HN -0.302 nan 8.310 nan 0.000 0.475 453 P HA -0.052 nan 4.420 nan 0.000 0.218 453 P C 0.886 178.122 177.300 -0.107 0.000 1.149 453 P CA 0.918 64.050 63.100 0.052 0.000 0.817 453 P CB 0.259 32.127 31.700 0.279 0.000 0.785 454 E N -0.673 119.479 120.200 -0.079 0.000 2.077 454 E HA -0.150 4.201 4.350 0.001 0.000 0.193 454 E C 1.821 178.289 176.600 -0.221 0.000 0.989 454 E CA 0.818 57.092 56.400 -0.209 0.000 0.800 454 E CB -1.217 28.418 29.700 -0.109 0.000 0.746 454 E HN 0.127 nan 8.360 nan 0.000 0.452 455 L N 0.358 121.430 121.223 -0.252 0.000 2.056 455 L HA 0.019 4.359 4.340 0.001 0.000 0.207 455 L C 2.025 178.699 176.870 -0.327 0.000 1.078 455 L CA 1.894 56.556 54.840 -0.295 0.000 0.749 455 L CB -0.843 40.986 42.059 -0.385 0.000 0.901 455 L HN 0.102 nan 8.230 nan 0.000 0.433 456 A N -0.176 122.457 122.820 -0.312 0.000 1.883 456 A HA -0.177 4.143 4.320 0.001 0.000 0.217 456 A C 2.470 179.870 177.584 -0.306 0.000 1.186 456 A CA 2.068 53.946 52.037 -0.265 0.000 0.624 456 A CB -1.265 17.625 19.000 -0.184 0.000 0.822 456 A HN 0.588 nan 8.150 nan 0.000 0.444 457 A N -0.359 122.194 122.820 -0.445 0.000 1.933 457 A HA 0.167 4.487 4.320 0.001 0.000 0.218 457 A C 2.491 179.659 177.584 -0.694 0.000 1.175 457 A CA 2.108 53.763 52.037 -0.636 0.000 0.628 457 A CB -0.944 17.337 19.000 -1.197 0.000 0.814 457 A HN 1.065 nan 8.150 nan 0.000 0.444 458 A N -1.011 121.448 122.820 -0.603 0.000 1.898 458 A HA -0.141 4.180 4.320 0.001 0.000 0.216 458 A C 2.295 179.689 177.584 -0.318 0.000 1.181 458 A CA 1.586 53.319 52.037 -0.506 0.000 0.620 458 A CB -1.264 17.681 19.000 -0.092 0.000 0.819 458 A HN 0.590 nan 8.150 nan 0.000 0.442 459 C N -0.624 118.515 119.300 -0.268 0.000 2.413 459 C HA -0.106 4.355 4.460 0.001 0.000 0.276 459 C C 2.660 177.752 174.990 0.170 0.000 1.248 459 C CA 1.229 60.188 59.018 -0.099 0.000 1.742 459 C CB -1.117 26.455 27.740 -0.279 0.000 2.017 459 C HN 0.744 nan 8.230 nan 0.000 0.481 460 E N 0.686 120.841 120.200 -0.074 0.000 2.110 460 E HA -0.171 4.179 4.350 0.001 0.000 0.193 460 E C 2.022 178.505 176.600 -0.196 0.000 0.988 460 E CA 1.433 57.773 56.400 -0.099 0.000 0.804 460 E CB 0.085 29.687 29.700 -0.163 0.000 0.745 460 E HN 0.496 nan 8.360 nan 0.000 0.458 461 V N 0.032 119.700 119.914 -0.410 0.000 2.379 461 V HA -0.155 3.966 4.120 0.001 0.000 0.245 461 V C 1.467 177.241 176.094 -0.534 0.000 1.044 461 V CA 1.220 63.144 62.300 -0.628 0.000 1.036 461 V CB -0.343 30.770 31.823 -1.183 0.000 0.664 461 V HN 0.432 nan 8.190 nan 0.000 0.453 462 W N 0.953 122.171 121.300 -0.138 0.000 2.966 462 W HA 0.278 4.938 4.660 0.001 0.000 0.406 462 W C 1.866 178.232 176.519 -0.255 0.000 1.027 462 W CA -0.423 56.756 57.345 -0.276 0.000 1.930 462 W CB -0.275 28.823 29.460 -0.603 0.000 1.144 462 W HN 0.431 nan 8.180 nan 0.000 0.626 463 K N 0.500 120.918 120.400 0.030 0.000 2.209 463 K HA -0.140 4.180 4.320 0.001 0.000 0.204 463 K C 0.826 177.197 176.600 -0.381 0.000 1.048 463 K CA 1.349 57.413 56.287 -0.372 0.000 0.940 463 K CB -0.017 32.300 32.500 -0.305 0.000 0.729 463 K HN -0.074 nan 8.250 nan 0.000 0.451 464 E N 0.817 120.897 120.200 -0.199 0.000 2.474 464 E HA 0.104 4.454 4.350 0.001 0.000 0.195 464 E C 0.147 176.671 176.600 -0.126 0.000 1.039 464 E CA -0.040 56.259 56.400 -0.168 0.000 0.881 464 E CB 0.352 29.976 29.700 -0.127 0.000 0.970 464 E HN 0.277 nan 8.360 nan 0.000 0.486 465 I N 2.219 122.737 120.570 -0.087 0.000 2.379 465 I HA 0.186 4.356 4.170 0.001 0.000 0.290 465 I C 0.273 176.363 176.117 -0.045 0.000 1.063 465 I CA -0.197 61.057 61.300 -0.076 0.000 1.351 465 I CB 0.087 38.100 38.000 0.022 0.000 1.410 465 I HN -0.176 nan 8.210 nan 0.000 0.505 466 K N 5.749 125.997 120.400 -0.254 0.000 2.508 466 K HA 0.591 4.911 4.320 0.001 0.000 0.260 466 K C -1.748 174.597 176.600 -0.425 0.000 0.949 466 K CA -0.458 55.729 56.287 -0.167 0.000 0.834 466 K CB 1.583 34.044 32.500 -0.065 0.000 1.365 466 K HN 0.159 nan 8.250 nan 0.000 0.437 467 F N 2.293 122.309 119.950 0.110 0.000 2.434 467 F HA 0.395 4.922 4.527 0.000 0.000 0.367 467 F C -0.467 175.343 175.800 0.015 0.000 1.093 467 F CA -0.408 57.648 58.000 0.092 0.000 1.085 467 F CB 1.625 40.721 39.000 0.159 0.000 1.322 467 F HN 0.319 nan 8.300 nan 0.000 0.452 468 E N 3.959 124.110 120.200 -0.082 0.000 2.220 468 E HA 0.541 4.891 4.350 0.001 0.000 0.256 468 E C -1.332 175.027 176.600 -0.401 0.000 0.881 468 E CA -0.510 55.810 56.400 -0.132 0.000 0.766 468 E CB 1.926 31.546 29.700 -0.133 0.000 1.187 468 E HN 0.301 nan 8.360 nan 0.000 0.419 469 F N 1.069 121.066 119.950 0.078 0.000 2.626 469 F HA 0.408 4.935 4.527 0.001 0.000 0.311 469 F C -2.084 173.744 175.800 0.046 0.000 1.088 469 F CA -2.119 55.917 58.000 0.061 0.000 0.949 469 F CB 0.934 39.975 39.000 0.067 0.000 1.322 469 F HN 0.252 nan 8.300 nan 0.000 0.461 470 P HA 0.430 nan 4.420 nan 0.000 0.271 470 P C -1.191 176.186 177.300 0.129 0.000 1.216 470 P CA -0.325 62.862 63.100 0.145 0.000 0.776 470 P CB 0.655 32.426 31.700 0.118 0.000 0.881 471 A N 2.906 125.784 122.820 0.098 0.000 2.327 471 A HA 0.374 4.694 4.320 0.001 0.000 0.283 471 A C 1.029 178.655 177.584 0.070 0.000 1.127 471 A CA -0.437 51.650 52.037 0.084 0.000 0.810 471 A CB 0.355 19.404 19.000 0.082 0.000 1.066 471 A HN 0.480 nan 8.150 nan 0.000 0.492 472 M N 0.581 120.217 119.600 0.060 0.000 2.299 472 M HA 0.035 4.516 4.480 0.001 0.000 0.264 472 M C 0.392 176.736 176.300 0.072 0.000 1.095 472 M CA 0.922 56.254 55.300 0.054 0.000 1.165 472 M CB -1.240 31.381 32.600 0.035 0.000 1.349 472 M HN 0.834 nan 8.290 nan 0.000 0.446 473 D N 1.802 122.252 120.400 0.084 0.000 2.352 473 D HA 0.203 4.844 4.640 0.001 0.000 0.245 473 D C -0.784 175.602 176.300 0.144 0.000 1.224 473 D CA 0.402 54.477 54.000 0.125 0.000 0.879 473 D CB 0.750 41.624 40.800 0.123 0.000 1.057 473 D HN -0.010 nan 8.370 nan 0.000 0.491 474 T N 2.433 117.069 114.554 0.137 0.000 2.901 474 T HA 0.457 4.808 4.350 0.001 0.000 0.293 474 T C -0.519 174.248 174.700 0.112 0.000 1.084 474 T CA -0.629 61.540 62.100 0.114 0.000 1.008 474 T CB 1.285 70.201 68.868 0.079 0.000 1.170 474 T HN 0.093 nan 8.240 nan 0.000 0.509 475 V N 0.000 119.963 119.914 0.081 0.000 2.409 475 V HA 0.000 4.120 4.120 0.001 0.000 0.244 475 V CA 0.000 62.334 62.300 0.056 0.000 1.235 475 V CB 0.000 31.836 31.823 0.021 0.000 1.184 475 V HN 0.000 nan 8.190 nan 0.000 0.556