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 1upx_1_A DATA FIRST_RESID 1 DATA SEQUENCE SNAMFCYQCQ ETVGNKGCTQ VGVCGKKPET AALQDALIYV TKGLGQIATR DATA SEQUENCE LRAEGKAVDH RIDRLVTGNL FATITNANFD DDILAERVRM TCAAKKELAA DATA SEQUENCE SLTDKSGLSD AALWEASEKS AMLAKAGTVG VMATTDDDVR SLRWLITFGL DATA SEQUENCE KGMAAYAKHA DVLGKHENSL DAFMQEALAK TLDDSLSVAD LVALTLETGK DATA SEQUENCE FGVSAMALLD AANTGTYGHP EITKVNIGVG SNPGILISGH DLRDLEMLLK DATA SEQUENCE QTEGTGVDVY THSEMLPAHY YPAFKKYAHF KGNYGNAWWK QKEEFESFNG DATA SEQUENCE PVLLTTNCLV PPKDSYKDRV YTTGIVGFTG CKHIPGEIGE HKDFSAIIAH DATA SEQUENCE AKTCPAPTEI ESGEIIGGFA HNQVLALADK VIDAVKSGAI KKFVVMAGCD DATA SEQUENCE GRAKSRSYYT DFAEGLPKDT VILTAGCAKY RYNKLNLGDI GGIPRVLDAG DATA SEQUENCE QCNDSYSLAV IALKLKEVFG LEDVNDLPIV YNIAWYEQKA VIVLLALLSL DATA SEQUENCE GVKNIHLGPT LPAFLSPNVA KVLVEQFNIG GITSPQDDLK AFFG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.603 174.600 0.005 0.000 1.055 1 S CA 0.000 58.198 58.200 -0.003 0.000 1.107 1 S CB 0.000 63.195 63.200 -0.008 0.000 0.593 2 N N 1.554 120.260 118.700 0.011 0.000 2.514 2 N HA 0.424 5.045 4.740 -0.198 0.000 0.277 2 N C 1.028 176.547 175.510 0.016 0.000 1.126 2 N CA -0.181 52.886 53.050 0.027 0.000 0.978 2 N CB 1.406 39.933 38.487 0.066 0.000 1.106 2 N HN 0.740 nan 8.380 nan 0.000 0.461 3 A N 2.269 125.098 122.820 0.014 0.000 2.014 3 A HA 0.002 4.203 4.320 -0.198 0.000 0.218 3 A C 0.805 178.392 177.584 0.005 0.000 1.163 3 A CA 1.216 53.256 52.037 0.006 0.000 0.652 3 A CB -0.299 18.704 19.000 0.006 0.000 0.808 3 A HN 0.806 nan 8.150 nan 0.000 0.449 4 M N -5.211 114.398 119.600 0.015 0.000 2.773 4 M HA 0.751 5.112 4.480 -0.198 0.000 0.270 4 M C -1.623 174.714 176.300 0.062 0.000 1.238 4 M CA -0.765 54.542 55.300 0.012 0.000 0.832 4 M CB 1.806 34.395 32.600 -0.018 0.000 1.672 4 M HN 0.011 nan 8.290 nan 0.000 0.480 5 F N 1.413 121.291 119.950 -0.121 0.000 2.653 5 F HA 0.721 5.130 4.527 -0.197 0.000 0.327 5 F C -1.925 173.755 175.800 -0.200 0.000 1.195 5 F CA -0.537 57.363 58.000 -0.168 0.000 0.993 5 F CB 1.692 40.553 39.000 -0.232 0.000 1.259 5 F HN 1.029 nan 8.300 nan 0.000 0.478 6 C N 7.555 126.438 119.300 -0.696 0.000 2.608 6 C HA 0.564 4.905 4.460 -0.198 0.000 0.325 6 C C -0.606 174.135 174.990 -0.416 0.000 1.147 6 C CA -0.357 58.422 59.018 -0.399 0.000 1.359 6 C CB 0.679 28.302 27.740 -0.195 0.000 1.912 6 C HN 0.917 nan 8.230 nan 0.000 0.466 7 Y N 3.833 123.970 120.300 -0.272 0.000 2.742 7 Y HA 0.262 4.693 4.550 -0.197 0.000 0.248 7 Y C 1.234 177.191 175.900 0.096 0.000 1.132 7 Y CA -0.358 57.691 58.100 -0.085 0.000 1.142 7 Y CB -0.360 38.133 38.460 0.054 0.000 1.222 7 Y HN 0.768 nan 8.280 nan 0.000 0.575 8 Q N 1.140 120.935 119.800 -0.009 0.000 2.432 8 Q HA 0.126 4.347 4.340 -0.198 0.000 0.205 8 Q C 0.798 176.667 176.000 -0.218 0.000 0.945 8 Q CA 0.581 56.020 55.803 -0.607 0.000 0.924 8 Q CB 0.277 28.273 28.738 -1.238 0.000 1.016 8 Q HN 0.511 nan 8.270 nan 0.000 0.503 9 C N -1.817 117.403 119.300 -0.132 0.000 2.630 9 C HA 0.375 4.717 4.460 -0.198 0.000 0.346 9 C C 1.475 176.276 174.990 -0.316 0.000 1.245 9 C CA -0.749 58.077 59.018 -0.321 0.000 1.804 9 C CB 2.095 29.414 27.740 -0.702 0.000 2.279 9 C HN 0.406 nan 8.230 nan 0.000 0.498 10 Q N 0.459 119.748 119.800 -0.852 0.000 2.226 10 Q HA -0.105 4.116 4.340 -0.198 0.000 0.204 10 Q C 1.447 177.315 176.000 -0.220 0.000 0.975 10 Q CA 1.933 57.252 55.803 -0.807 0.000 0.866 10 Q CB -0.056 27.910 28.738 -1.286 0.000 0.915 10 Q HN 0.924 nan 8.270 nan 0.000 0.440 11 E N 0.445 120.598 120.200 -0.079 0.000 2.476 11 E HA 0.027 4.258 4.350 -0.198 0.000 0.191 11 E C 0.085 176.699 176.600 0.023 0.000 1.064 11 E CA -0.205 56.218 56.400 0.038 0.000 0.866 11 E CB 0.208 30.022 29.700 0.189 0.000 0.952 11 E HN 0.116 nan 8.360 nan 0.000 0.492 12 T N 0.871 115.424 114.554 -0.001 0.000 2.946 12 T HA -0.018 4.214 4.350 -0.198 0.000 0.311 12 T C 0.446 175.153 174.700 0.012 0.000 1.063 12 T CA -0.334 61.768 62.100 0.003 0.000 1.139 12 T CB 0.516 69.401 68.868 0.028 0.000 0.994 12 T HN -0.175 nan 8.240 nan 0.000 0.547 13 V N 5.670 125.580 119.914 -0.005 0.000 2.557 13 V HA 0.276 4.278 4.120 -0.198 0.000 0.301 13 V C 1.833 177.941 176.094 0.023 0.000 1.026 13 V CA 1.127 63.430 62.300 0.006 0.000 1.137 13 V CB 0.152 31.971 31.823 -0.005 0.000 0.917 13 V HN 1.314 nan 8.190 nan 0.000 0.484 14 G N 4.971 113.788 108.800 0.028 0.000 2.166 14 G HA2 -0.368 3.473 3.960 -0.198 0.000 0.260 14 G HA3 -0.368 3.473 3.960 -0.198 0.000 0.260 14 G C 0.612 175.542 174.900 0.051 0.000 0.986 14 G CA 0.647 45.770 45.100 0.038 0.000 0.683 14 G HN 1.296 nan 8.290 nan 0.000 0.527 15 N N -1.277 117.455 118.700 0.053 0.000 2.710 15 N HA -0.178 4.444 4.740 -0.198 0.000 0.249 15 N C 1.234 176.806 175.510 0.104 0.000 1.059 15 N CA 2.139 55.231 53.050 0.071 0.000 0.720 15 N CB -0.711 37.812 38.487 0.061 0.000 0.983 15 N HN 0.846 nan 8.380 nan 0.000 0.544 16 K N -1.840 118.633 120.400 0.121 0.000 2.585 16 K HA 0.389 4.590 4.320 -0.198 0.000 0.198 16 K C 0.620 177.356 176.600 0.227 0.000 1.403 16 K CA 0.546 56.948 56.287 0.190 0.000 1.021 16 K CB 1.131 33.721 32.500 0.150 0.000 1.558 16 K HN 0.220 nan 8.250 nan 0.000 0.524 17 G N 0.738 109.558 108.800 0.034 0.000 2.378 17 G HA2 0.108 3.949 3.960 -0.198 0.000 0.302 17 G HA3 0.108 3.949 3.960 -0.198 0.000 0.302 17 G C -1.247 173.476 174.900 -0.294 0.000 1.669 17 G CA -0.971 43.939 45.100 -0.316 0.000 0.920 17 G HN 0.107 nan 8.290 nan 0.000 0.697 18 C N 2.233 121.314 119.300 -0.364 0.000 2.464 18 C HA 0.574 4.915 4.460 -0.198 0.000 0.370 18 C C 1.859 176.706 174.990 -0.237 0.000 1.267 18 C CA 0.407 59.297 59.018 -0.214 0.000 1.781 18 C CB -0.267 27.384 27.740 -0.147 0.000 2.431 18 C HN 0.974 nan 8.230 nan 0.000 0.556 19 T N -0.498 113.995 114.554 -0.102 0.000 2.975 19 T HA 0.105 4.336 4.350 -0.198 0.000 0.257 19 T C 0.966 175.663 174.700 -0.005 0.000 1.003 19 T CA 0.224 62.308 62.100 -0.027 0.000 0.932 19 T CB 0.133 69.026 68.868 0.042 0.000 1.087 19 T HN 0.727 nan 8.240 nan 0.000 0.512 20 Q N 0.298 120.092 119.800 -0.010 0.000 2.644 20 Q HA 0.506 4.727 4.340 -0.198 0.000 0.220 20 Q C 0.149 176.153 176.000 0.006 0.000 0.866 20 Q CA 0.163 55.968 55.803 0.003 0.000 0.915 20 Q CB 1.327 30.071 28.738 0.009 0.000 1.191 20 Q HN 0.364 nan 8.270 nan 0.000 0.641 21 V N -0.330 119.589 119.914 0.008 0.000 2.971 21 V HA 0.786 4.787 4.120 -0.198 0.000 0.309 21 V C -0.845 175.263 176.094 0.025 0.000 1.130 21 V CA -0.674 61.641 62.300 0.025 0.000 0.964 21 V CB 1.700 33.546 31.823 0.039 0.000 1.029 21 V HN 0.302 nan 8.190 nan 0.000 0.427 22 G N 3.026 111.853 108.800 0.045 0.000 2.441 22 G HA2 0.381 4.222 3.960 -0.198 0.000 0.243 22 G HA3 0.381 4.222 3.960 -0.198 0.000 0.243 22 G C 0.836 175.786 174.900 0.084 0.000 1.281 22 G CA 0.269 45.400 45.100 0.052 0.000 0.854 22 G HN 1.195 nan 8.290 nan 0.000 0.560 23 V N 1.721 121.680 119.914 0.075 0.000 2.469 23 V HA -0.280 3.721 4.120 -0.198 0.000 0.251 23 V C 3.012 179.203 176.094 0.161 0.000 1.064 23 V CA 2.186 64.546 62.300 0.099 0.000 1.066 23 V CB -0.868 31.008 31.823 0.088 0.000 0.667 23 V HN 1.025 nan 8.190 nan 0.000 0.461 24 C N -0.308 119.116 119.300 0.207 0.000 2.472 24 C HA 0.477 4.818 4.460 -0.198 0.000 0.278 24 C C 2.067 177.257 174.990 0.334 0.000 1.447 24 C CA 0.010 59.213 59.018 0.310 0.000 1.773 24 C CB -0.859 27.081 27.740 0.333 0.000 1.793 24 C HN 0.861 nan 8.230 nan 0.000 0.544 25 G N 0.327 109.283 108.800 0.261 0.000 2.201 25 G HA2 -0.222 3.619 3.960 -0.198 0.000 0.212 25 G HA3 -0.222 3.619 3.960 -0.198 0.000 0.212 25 G C 0.076 175.168 174.900 0.320 0.000 0.994 25 G CA 0.163 45.398 45.100 0.224 0.000 0.644 25 G HN 0.779 nan 8.290 nan 0.000 0.508 26 K N 1.658 122.297 120.400 0.398 0.000 2.412 26 K HA 0.355 4.556 4.320 -0.198 0.000 0.284 26 K C 0.629 177.323 176.600 0.157 0.000 1.046 26 K CA 0.045 56.520 56.287 0.313 0.000 0.999 26 K CB 0.179 32.755 32.500 0.127 0.000 0.941 26 K HN 0.305 nan 8.250 nan 0.000 0.474 27 K N 5.212 125.693 120.400 0.135 0.000 2.126 27 K HA 0.103 4.305 4.320 -0.198 0.000 0.257 27 K C -1.621 175.001 176.600 0.037 0.000 1.007 27 K CA -1.859 54.470 56.287 0.069 0.000 0.928 27 K CB 0.727 33.258 32.500 0.052 0.000 1.013 27 K HN 0.429 nan 8.250 nan 0.000 0.473 28 P HA -0.194 nan 4.420 nan 0.000 0.216 28 P C 0.373 177.675 177.300 0.002 0.000 1.150 28 P CA 1.529 64.633 63.100 0.007 0.000 0.837 28 P CB 0.231 31.934 31.700 0.005 0.000 0.786 29 E N -0.694 119.509 120.200 0.005 0.000 2.152 29 E HA -0.081 4.150 4.350 -0.198 0.000 0.192 29 E C 1.964 178.564 176.600 0.000 0.000 0.983 29 E CA 1.264 57.664 56.400 0.001 0.000 0.818 29 E CB -0.567 29.133 29.700 0.001 0.000 0.758 29 E HN 0.272 nan 8.360 nan 0.000 0.467 30 T N 1.168 115.724 114.554 0.003 0.000 2.708 30 T HA -0.161 4.070 4.350 -0.198 0.000 0.266 30 T C 2.066 176.757 174.700 -0.015 0.000 1.037 30 T CA 1.274 63.371 62.100 -0.004 0.000 1.146 30 T CB -0.230 68.647 68.868 0.015 0.000 0.865 30 T HN 0.236 nan 8.240 nan 0.000 0.435 31 A N 1.481 124.294 122.820 -0.012 0.000 1.940 31 A HA 0.101 4.302 4.320 -0.198 0.000 0.219 31 A C 2.635 180.209 177.584 -0.015 0.000 1.176 31 A CA 1.920 53.944 52.037 -0.023 0.000 0.631 31 A CB -1.093 17.891 19.000 -0.027 0.000 0.814 31 A HN 0.519 nan 8.150 nan 0.000 0.446 32 A N -0.320 122.493 122.820 -0.012 0.000 1.898 32 A HA -0.006 4.195 4.320 -0.198 0.000 0.216 32 A C 2.160 179.745 177.584 0.002 0.000 1.181 32 A CA 1.437 53.466 52.037 -0.013 0.000 0.620 32 A CB -0.590 18.402 19.000 -0.013 0.000 0.819 32 A HN 0.467 nan 8.150 nan 0.000 0.442 33 L N -0.761 120.468 121.223 0.010 0.000 2.083 33 L HA -0.249 3.972 4.340 -0.198 0.000 0.209 33 L C 2.881 179.772 176.870 0.036 0.000 1.083 33 L CA 1.471 56.327 54.840 0.028 0.000 0.752 33 L CB -0.566 41.505 42.059 0.019 0.000 0.899 33 L HN 0.495 nan 8.230 nan 0.000 0.433 34 Q N -0.281 119.531 119.800 0.020 0.000 2.119 34 Q HA -0.202 4.019 4.340 -0.198 0.000 0.201 34 Q C 1.766 177.809 176.000 0.072 0.000 0.972 34 Q CA 1.421 57.245 55.803 0.034 0.000 0.847 34 Q CB -0.090 28.652 28.738 0.006 0.000 0.903 34 Q HN 0.476 nan 8.270 nan 0.000 0.433 35 D N 0.579 121.012 120.400 0.055 0.000 2.117 35 D HA -0.128 4.393 4.640 -0.198 0.000 0.197 35 D C 1.772 178.128 176.300 0.093 0.000 0.987 35 D CA 1.374 55.421 54.000 0.077 0.000 0.829 35 D CB -0.200 40.606 40.800 0.009 0.000 0.961 35 D HN 0.251 nan 8.370 nan 0.000 0.460 36 A N 0.584 123.438 122.820 0.057 0.000 1.902 36 A HA -0.130 4.072 4.320 -0.198 0.000 0.217 36 A C 2.139 179.833 177.584 0.183 0.000 1.181 36 A CA 0.943 53.032 52.037 0.088 0.000 0.623 36 A CB -0.682 18.373 19.000 0.092 0.000 0.818 36 A HN 0.235 nan 8.150 nan 0.000 0.443 37 L N -0.164 121.144 121.223 0.141 0.000 2.046 37 L HA -0.115 4.106 4.340 -0.198 0.000 0.208 37 L C 2.106 179.055 176.870 0.130 0.000 1.077 37 L CA 1.587 56.504 54.840 0.128 0.000 0.747 37 L CB -0.378 41.733 42.059 0.086 0.000 0.896 37 L HN 0.326 nan 8.230 nan 0.000 0.432 38 I N -1.302 119.357 120.570 0.150 0.000 2.226 38 I HA -0.305 3.746 4.170 -0.198 0.000 0.245 38 I C 2.452 178.657 176.117 0.147 0.000 1.100 38 I CA 1.374 62.763 61.300 0.148 0.000 1.374 38 I CB -1.300 36.835 38.000 0.226 0.000 1.057 38 I HN 0.348 nan 8.210 nan 0.000 0.413 39 Y N 2.274 122.605 120.300 0.051 0.000 2.097 39 Y HA -0.243 4.187 4.550 -0.200 0.000 0.282 39 Y C 2.602 178.521 175.900 0.032 0.000 1.152 39 Y CA 2.430 60.539 58.100 0.015 0.000 1.136 39 Y CB -0.500 37.943 38.460 -0.029 0.000 0.975 39 Y HN 0.067 nan 8.280 nan 0.000 0.498 40 V N -3.542 116.450 119.914 0.130 0.000 2.809 40 V HA -0.151 3.850 4.120 -0.198 0.000 0.256 40 V C 1.915 178.003 176.094 -0.011 0.000 1.080 40 V CA 2.118 64.455 62.300 0.062 0.000 1.102 40 V CB -1.391 30.557 31.823 0.209 0.000 0.705 40 V HN 0.409 nan 8.190 nan 0.000 0.475 41 T N 0.441 114.997 114.554 0.002 0.000 2.777 41 T HA -0.113 4.118 4.350 -0.198 0.000 0.266 41 T C 1.871 176.521 174.700 -0.083 0.000 1.040 41 T CA 2.011 64.094 62.100 -0.029 0.000 1.141 41 T CB -0.270 68.594 68.868 -0.007 0.000 0.868 41 T HN 0.564 nan 8.240 nan 0.000 0.444 42 K N 0.620 120.950 120.400 -0.116 0.000 2.097 42 K HA -0.023 4.178 4.320 -0.198 0.000 0.206 42 K C 2.608 179.095 176.600 -0.188 0.000 1.049 42 K CA 1.169 57.353 56.287 -0.171 0.000 0.933 42 K CB -0.438 31.940 32.500 -0.203 0.000 0.717 42 K HN 0.364 nan 8.250 nan 0.000 0.442 43 G N 1.666 110.336 108.800 -0.216 0.000 2.418 43 G HA2 -0.249 3.592 3.960 -0.198 0.000 0.217 43 G HA3 -0.249 3.592 3.960 -0.198 0.000 0.217 43 G C 1.432 176.264 174.900 -0.114 0.000 1.158 43 G CA 0.513 45.503 45.100 -0.184 0.000 0.771 43 G HN 0.158 nan 8.290 nan 0.000 0.545 44 L N 1.748 122.918 121.223 -0.089 0.000 2.042 44 L HA 0.103 4.324 4.340 -0.198 0.000 0.210 44 L C 2.760 179.582 176.870 -0.079 0.000 1.076 44 L CA 2.389 57.188 54.840 -0.068 0.000 0.749 44 L CB -1.046 40.982 42.059 -0.051 0.000 0.893 44 L HN 0.166 nan 8.230 nan 0.000 0.432 45 G N -1.385 107.355 108.800 -0.100 0.000 2.440 45 G HA2 -0.344 3.497 3.960 -0.198 0.000 0.218 45 G HA3 -0.344 3.497 3.960 -0.198 0.000 0.218 45 G C 1.501 176.332 174.900 -0.114 0.000 1.154 45 G CA 0.786 45.817 45.100 -0.115 0.000 0.767 45 G HN 0.569 nan 8.290 nan 0.000 0.552 46 Q N -0.170 119.561 119.800 -0.116 0.000 2.050 46 Q HA -0.061 4.161 4.340 -0.198 0.000 0.202 46 Q C 2.571 178.524 176.000 -0.078 0.000 0.980 46 Q CA 1.169 56.910 55.803 -0.103 0.000 0.840 46 Q CB -0.204 28.471 28.738 -0.105 0.000 0.898 46 Q HN 0.558 nan 8.270 nan 0.000 0.424 47 I N 0.686 121.215 120.570 -0.070 0.000 2.179 47 I HA -0.260 3.791 4.170 -0.198 0.000 0.242 47 I C 2.474 178.563 176.117 -0.046 0.000 1.088 47 I CA 1.031 62.300 61.300 -0.052 0.000 1.357 47 I CB -0.407 37.565 38.000 -0.046 0.000 1.051 47 I HN 0.269 nan 8.210 nan 0.000 0.409 48 A N 0.187 122.977 122.820 -0.050 0.000 1.902 48 A HA -0.204 3.998 4.320 -0.198 0.000 0.217 48 A C 2.382 179.940 177.584 -0.043 0.000 1.181 48 A CA 2.417 54.429 52.037 -0.041 0.000 0.623 48 A CB -1.092 17.883 19.000 -0.043 0.000 0.818 48 A HN 0.383 nan 8.150 nan 0.000 0.443 49 T N -0.407 114.111 114.554 -0.059 0.000 2.746 49 T HA -0.119 4.112 4.350 -0.198 0.000 0.267 49 T C 2.113 176.787 174.700 -0.044 0.000 1.039 49 T CA 1.298 63.362 62.100 -0.060 0.000 1.142 49 T CB -0.211 68.606 68.868 -0.085 0.000 0.866 49 T HN 0.354 nan 8.240 nan 0.000 0.444 50 R N 0.709 121.183 120.500 -0.043 0.000 2.092 50 R HA 0.109 4.330 4.340 -0.198 0.000 0.231 50 R C 2.472 178.757 176.300 -0.024 0.000 1.119 50 R CA 0.797 56.877 56.100 -0.033 0.000 0.970 50 R CB -0.936 29.343 30.300 -0.035 0.000 0.864 50 R HN 0.411 nan 8.270 nan 0.000 0.440 51 L N 0.221 121.430 121.223 -0.023 0.000 2.046 51 L HA -0.166 4.055 4.340 -0.198 0.000 0.208 51 L C 2.709 179.572 176.870 -0.011 0.000 1.077 51 L CA 1.434 56.265 54.840 -0.016 0.000 0.747 51 L CB -0.359 41.691 42.059 -0.014 0.000 0.896 51 L HN 0.130 nan 8.230 nan 0.000 0.432 52 R N -0.226 120.267 120.500 -0.012 0.000 2.091 52 R HA -0.154 4.067 4.340 -0.198 0.000 0.238 52 R C 2.354 178.651 176.300 -0.005 0.000 1.136 52 R CA 1.379 57.476 56.100 -0.005 0.000 0.959 52 R CB -0.500 29.796 30.300 -0.006 0.000 0.856 52 R HN 0.363 nan 8.270 nan 0.000 0.437 53 A N 1.104 123.918 122.820 -0.010 0.000 2.015 53 A HA -0.143 4.058 4.320 -0.198 0.000 0.219 53 A C 1.626 179.206 177.584 -0.006 0.000 1.163 53 A CA 1.128 53.160 52.037 -0.008 0.000 0.646 53 A CB -0.161 18.831 19.000 -0.014 0.000 0.806 53 A HN 0.307 nan 8.150 nan 0.000 0.448 54 E N -1.438 118.757 120.200 -0.007 0.000 2.481 54 E HA 0.209 4.440 4.350 -0.198 0.000 0.195 54 E C 1.029 177.628 176.600 -0.003 0.000 1.047 54 E CA 0.267 56.664 56.400 -0.006 0.000 0.867 54 E CB -0.107 29.588 29.700 -0.008 0.000 0.858 54 E HN 0.733 nan 8.360 nan 0.000 0.513 55 G N 2.147 110.947 108.800 -0.001 0.000 2.137 55 G HA2 -0.284 3.557 3.960 -0.198 0.000 0.237 55 G HA3 -0.284 3.557 3.960 -0.198 0.000 0.237 55 G C -0.083 174.818 174.900 0.003 0.000 1.002 55 G CA 0.085 45.187 45.100 0.002 0.000 0.702 55 G HN 0.127 nan 8.290 nan 0.000 0.515 56 K N 0.269 120.670 120.400 0.001 0.000 2.138 56 K HA 0.721 4.923 4.320 -0.198 0.000 0.263 56 K C 0.680 177.284 176.600 0.006 0.000 0.965 56 K CA -0.098 56.191 56.287 0.002 0.000 0.868 56 K CB 1.755 34.254 32.500 -0.001 0.000 1.083 56 K HN 0.484 nan 8.250 nan 0.000 0.443 57 A N 1.949 124.775 122.820 0.009 0.000 2.462 57 A HA 0.288 4.489 4.320 -0.198 0.000 0.243 57 A C -0.283 177.310 177.584 0.015 0.000 1.076 57 A CA -0.336 51.710 52.037 0.016 0.000 0.773 57 A CB 0.329 19.341 19.000 0.019 0.000 1.010 57 A HN 0.425 nan 8.150 nan 0.000 0.493 58 V N 3.397 123.325 119.914 0.023 0.000 2.407 58 V HA 0.189 4.191 4.120 -0.198 0.000 0.291 58 V C -0.132 175.988 176.094 0.043 0.000 1.018 58 V CA -0.587 61.727 62.300 0.023 0.000 0.842 58 V CB 1.320 33.153 31.823 0.017 0.000 0.996 58 V HN 1.061 nan 8.190 nan 0.000 0.426 59 D N 1.797 122.219 120.400 0.036 0.000 2.382 59 D HA 0.056 4.577 4.640 -0.198 0.000 0.240 59 D C 1.236 177.583 176.300 0.077 0.000 1.146 59 D CA 0.126 54.159 54.000 0.055 0.000 0.897 59 D CB 0.759 41.577 40.800 0.031 0.000 1.197 59 D HN 0.664 nan 8.370 nan 0.000 0.432 60 H N 2.708 121.766 119.070 -0.019 0.000 2.489 60 H HA -0.099 4.337 4.556 -0.200 0.000 0.293 60 H C 1.898 177.186 175.328 -0.067 0.000 1.066 60 H CA 1.909 57.920 56.048 -0.062 0.000 1.305 60 H CB 0.172 29.845 29.762 -0.148 0.000 1.386 60 H HN 0.472 nan 8.280 nan 0.000 0.551 61 R N -0.059 120.375 120.500 -0.110 0.000 2.127 61 R HA -0.111 4.110 4.340 -0.198 0.000 0.238 61 R C 1.480 177.701 176.300 -0.133 0.000 1.134 61 R CA 1.714 57.728 56.100 -0.144 0.000 0.975 61 R CB -0.445 29.815 30.300 -0.067 0.000 0.865 61 R HN 0.257 nan 8.270 nan 0.000 0.447 62 I N 2.565 123.084 120.570 -0.084 0.000 2.252 62 I HA -0.202 3.849 4.170 -0.198 0.000 0.245 62 I C 1.489 177.557 176.117 -0.082 0.000 1.102 62 I CA 1.410 62.671 61.300 -0.064 0.000 1.385 62 I CB -1.135 36.845 38.000 -0.033 0.000 1.064 62 I HN 0.184 nan 8.210 nan 0.000 0.414 63 D N 0.848 121.191 120.400 -0.096 0.000 2.123 63 D HA -0.189 4.332 4.640 -0.198 0.000 0.196 63 D C 2.328 178.539 176.300 -0.148 0.000 0.992 63 D CA 1.208 55.157 54.000 -0.085 0.000 0.833 63 D CB -0.295 40.508 40.800 0.004 0.000 0.954 63 D HN 0.356 nan 8.370 nan 0.000 0.455 64 R N -0.205 120.130 120.500 -0.275 0.000 2.090 64 R HA -0.035 4.186 4.340 -0.198 0.000 0.228 64 R C 2.257 178.495 176.300 -0.103 0.000 1.110 64 R CA 0.261 56.232 56.100 -0.215 0.000 0.973 64 R CB -0.319 29.813 30.300 -0.280 0.000 0.869 64 R HN 0.119 nan 8.270 nan 0.000 0.440 65 L N 0.686 121.854 121.223 -0.092 0.000 2.017 65 L HA -0.144 4.078 4.340 -0.198 0.000 0.208 65 L C 2.018 178.869 176.870 -0.032 0.000 1.073 65 L CA 1.624 56.433 54.840 -0.052 0.000 0.745 65 L CB -0.364 41.666 42.059 -0.048 0.000 0.894 65 L HN -0.099 nan 8.230 nan 0.000 0.432 66 V N -0.265 119.625 119.914 -0.039 0.000 2.295 66 V HA -0.301 3.700 4.120 -0.198 0.000 0.246 66 V C 2.697 178.786 176.094 -0.009 0.000 1.049 66 V CA 2.207 64.490 62.300 -0.028 0.000 1.024 66 V CB -1.336 30.462 31.823 -0.041 0.000 0.648 66 V HN 0.758 nan 8.190 nan 0.000 0.447 67 T N -1.468 113.082 114.554 -0.006 0.000 2.821 67 T HA -0.066 4.166 4.350 -0.198 0.000 0.267 67 T C 1.988 176.735 174.700 0.078 0.000 1.046 67 T CA 1.412 63.526 62.100 0.025 0.000 1.139 67 T CB -0.809 68.076 68.868 0.029 0.000 0.871 67 T HN 0.464 nan 8.240 nan 0.000 0.454 68 G N 1.834 110.665 108.800 0.053 0.000 2.422 68 G HA2 -0.218 3.623 3.960 -0.198 0.000 0.218 68 G HA3 -0.218 3.623 3.960 -0.198 0.000 0.218 68 G C 1.702 176.641 174.900 0.066 0.000 1.146 68 G CA 0.680 45.817 45.100 0.062 0.000 0.769 68 G HN 0.464 nan 8.290 nan 0.000 0.547 69 N N 0.539 119.265 118.700 0.042 0.000 2.084 69 N HA -0.031 4.590 4.740 -0.198 0.000 0.190 69 N C 2.285 177.835 175.510 0.067 0.000 1.030 69 N CA 0.703 53.778 53.050 0.042 0.000 0.849 69 N CB -0.465 38.039 38.487 0.028 0.000 1.012 69 N HN 0.294 nan 8.380 nan 0.000 0.423 70 L N -0.503 120.760 121.223 0.067 0.000 2.017 70 L HA -0.108 4.113 4.340 -0.198 0.000 0.208 70 L C 2.215 179.159 176.870 0.123 0.000 1.073 70 L CA 1.030 55.911 54.840 0.069 0.000 0.745 70 L CB -0.445 41.625 42.059 0.019 0.000 0.894 70 L HN 0.143 nan 8.230 nan 0.000 0.432 71 F N 0.348 120.276 119.950 -0.037 0.000 2.171 71 F HA -0.246 4.207 4.527 -0.123 0.000 0.300 71 F C 2.497 178.275 175.800 -0.037 0.000 1.090 71 F CA 0.635 58.605 58.000 -0.049 0.000 1.293 71 F CB 0.088 39.048 39.000 -0.066 0.000 1.013 71 F HN 0.072 nan 8.300 nan 0.000 0.486 72 A N -0.450 122.465 122.820 0.158 0.000 2.070 72 A HA -0.220 3.981 4.320 -0.198 0.000 0.220 72 A C 1.868 179.464 177.584 0.020 0.000 1.159 72 A CA 1.955 54.015 52.037 0.038 0.000 0.656 72 A CB -1.175 17.829 19.000 0.008 0.000 0.800 72 A HN 0.474 nan 8.150 nan 0.000 0.453 73 T N -2.848 111.737 114.554 0.053 0.000 3.086 73 T HA 0.411 4.642 4.350 -0.198 0.000 0.250 73 T C 0.531 175.232 174.700 0.001 0.000 1.074 73 T CA -0.347 61.764 62.100 0.017 0.000 0.988 73 T CB -0.496 68.408 68.868 0.060 0.000 0.988 73 T HN 0.257 nan 8.240 nan 0.000 0.530 74 I N 2.883 123.478 120.570 0.041 0.000 2.754 74 I HA 0.073 4.125 4.170 -0.198 0.000 0.285 74 I C 0.630 176.705 176.117 -0.070 0.000 1.166 74 I CA -0.338 60.962 61.300 0.000 0.000 1.417 74 I CB 0.630 38.681 38.000 0.084 0.000 1.382 74 I HN 0.122 nan 8.210 nan 0.000 0.588 75 T N 5.405 119.877 114.554 -0.136 0.000 2.905 75 T HA -0.044 4.187 4.350 -0.198 0.000 0.299 75 T C 0.609 175.258 174.700 -0.085 0.000 1.024 75 T CA 0.552 62.552 62.100 -0.167 0.000 1.151 75 T CB -0.346 68.341 68.868 -0.301 0.000 0.987 75 T HN 0.805 nan 8.240 nan 0.000 0.535 76 N N 0.023 118.678 118.700 -0.074 0.000 2.741 76 N HA -0.252 4.369 4.740 -0.198 0.000 0.250 76 N C 0.836 176.419 175.510 0.121 0.000 1.115 76 N CA 0.382 53.503 53.050 0.118 0.000 0.724 76 N CB -0.868 37.684 38.487 0.109 0.000 1.090 76 N HN 0.711 nan 8.380 nan 0.000 0.558 77 A N 0.033 122.828 122.820 -0.042 0.000 1.909 77 A HA 0.205 4.406 4.320 -0.198 0.000 0.210 77 A C 0.690 178.286 177.584 0.019 0.000 1.273 77 A CA 1.035 53.088 52.037 0.027 0.000 0.654 77 A CB 0.370 19.388 19.000 0.030 0.000 0.945 77 A HN 0.366 nan 8.150 nan 0.000 0.471 78 N N -1.639 116.964 118.700 -0.161 0.000 2.519 78 N HA 0.482 5.104 4.740 -0.198 0.000 0.291 78 N C -1.142 174.231 175.510 -0.228 0.000 1.107 78 N CA -0.411 52.599 53.050 -0.068 0.000 0.904 78 N CB 0.911 39.368 38.487 -0.049 0.000 1.500 78 N HN 0.057 nan 8.380 nan 0.000 0.510 79 F N 0.124 120.089 119.950 0.026 0.000 2.653 79 F HA 0.260 4.670 4.527 -0.196 0.000 0.304 79 F C 0.587 176.262 175.800 -0.208 0.000 1.092 79 F CA -0.447 57.505 58.000 -0.080 0.000 1.279 79 F CB 0.458 39.399 39.000 -0.099 0.000 1.044 79 F HN 0.376 nan 8.300 nan 0.000 0.564 80 D N 0.884 121.277 120.400 -0.011 0.000 2.428 80 D HA 0.049 4.570 4.640 -0.198 0.000 0.221 80 D C 0.638 176.902 176.300 -0.060 0.000 1.123 80 D CA 0.122 54.077 54.000 -0.074 0.000 0.869 80 D CB 0.789 41.555 40.800 -0.056 0.000 1.032 80 D HN 0.059 nan 8.370 nan 0.000 0.506 81 D N 2.539 122.901 120.400 -0.062 0.000 2.144 81 D HA -0.149 4.372 4.640 -0.198 0.000 0.199 81 D C 1.097 177.377 176.300 -0.033 0.000 0.984 81 D CA 0.878 54.855 54.000 -0.039 0.000 0.834 81 D CB 0.287 41.066 40.800 -0.034 0.000 0.955 81 D HN 0.478 nan 8.370 nan 0.000 0.465 82 D N 0.124 120.499 120.400 -0.041 0.000 2.117 82 D HA -0.103 4.418 4.640 -0.198 0.000 0.197 82 D C 2.127 178.403 176.300 -0.039 0.000 0.987 82 D CA 0.402 54.381 54.000 -0.035 0.000 0.829 82 D CB -0.091 40.686 40.800 -0.038 0.000 0.961 82 D HN 0.167 nan 8.370 nan 0.000 0.460 83 I N 0.430 120.967 120.570 -0.054 0.000 2.252 83 I HA -0.170 3.881 4.170 -0.198 0.000 0.245 83 I C 2.420 178.512 176.117 -0.041 0.000 1.102 83 I CA 0.726 61.987 61.300 -0.064 0.000 1.385 83 I CB -0.803 37.136 38.000 -0.101 0.000 1.064 83 I HN 0.073 nan 8.210 nan 0.000 0.414 84 L N 0.661 121.865 121.223 -0.032 0.000 2.056 84 L HA -0.151 4.071 4.340 -0.198 0.000 0.207 84 L C 2.827 179.700 176.870 0.005 0.000 1.078 84 L CA 1.339 56.171 54.840 -0.013 0.000 0.749 84 L CB -0.722 41.328 42.059 -0.014 0.000 0.901 84 L HN 0.161 nan 8.230 nan 0.000 0.433 85 A N -0.155 122.667 122.820 0.004 0.000 1.933 85 A HA -0.251 3.951 4.320 -0.198 0.000 0.218 85 A C 2.206 179.796 177.584 0.011 0.000 1.175 85 A CA 1.921 53.969 52.037 0.017 0.000 0.628 85 A CB -0.440 18.567 19.000 0.012 0.000 0.814 85 A HN 0.383 nan 8.150 nan 0.000 0.444 86 E N 0.240 120.437 120.200 -0.005 0.000 2.106 86 E HA -0.118 4.113 4.350 -0.198 0.000 0.192 86 E C 2.135 178.731 176.600 -0.006 0.000 0.984 86 E CA 1.216 57.610 56.400 -0.010 0.000 0.806 86 E CB -0.260 29.428 29.700 -0.021 0.000 0.750 86 E HN 0.588 nan 8.360 nan 0.000 0.458 87 R N -0.323 120.175 120.500 -0.003 0.000 2.096 87 R HA -0.067 4.154 4.340 -0.198 0.000 0.235 87 R C 2.339 178.652 176.300 0.021 0.000 1.127 87 R CA 1.276 57.378 56.100 0.003 0.000 0.968 87 R CB -0.372 29.930 30.300 0.004 0.000 0.861 87 R HN 0.132 nan 8.270 nan 0.000 0.440 88 V N 1.130 121.067 119.914 0.039 0.000 2.295 88 V HA -0.269 3.733 4.120 -0.198 0.000 0.246 88 V C 2.359 178.476 176.094 0.038 0.000 1.049 88 V CA 1.767 64.109 62.300 0.071 0.000 1.024 88 V CB -0.484 31.407 31.823 0.115 0.000 0.648 88 V HN 0.319 nan 8.190 nan 0.000 0.447 89 R N -0.588 119.918 120.500 0.010 0.000 2.081 89 R HA -0.115 4.107 4.340 -0.198 0.000 0.235 89 R C 2.355 178.641 176.300 -0.022 0.000 1.131 89 R CA 1.694 57.783 56.100 -0.020 0.000 0.960 89 R CB -0.393 29.892 30.300 -0.024 0.000 0.856 89 R HN 0.452 nan 8.270 nan 0.000 0.436 90 M N -0.220 119.371 119.600 -0.014 0.000 2.159 90 M HA -0.139 4.223 4.480 -0.198 0.000 0.263 90 M C 2.054 178.344 176.300 -0.016 0.000 1.063 90 M CA 1.696 56.986 55.300 -0.017 0.000 1.110 90 M CB -0.414 32.177 32.600 -0.015 0.000 1.374 90 M HN 0.135 nan 8.290 nan 0.000 0.411 91 T N -0.032 114.520 114.554 -0.004 0.000 2.812 91 T HA -0.107 4.125 4.350 -0.198 0.000 0.264 91 T C 1.932 176.628 174.700 -0.006 0.000 1.042 91 T CA 1.175 63.275 62.100 -0.000 0.000 1.140 91 T CB -0.436 68.445 68.868 0.022 0.000 0.870 91 T HN 0.448 nan 8.240 nan 0.000 0.445 92 C N 1.787 121.081 119.300 -0.011 0.000 2.429 92 C HA 0.049 4.391 4.460 -0.198 0.000 0.277 92 C C 3.229 178.188 174.990 -0.052 0.000 1.262 92 C CA 0.447 59.439 59.018 -0.043 0.000 1.733 92 C CB -1.411 26.269 27.740 -0.100 0.000 2.010 92 C HN 0.654 nan 8.230 nan 0.000 0.483 93 A N 0.478 123.270 122.820 -0.047 0.000 1.902 93 A HA 0.073 4.275 4.320 -0.198 0.000 0.217 93 A C 2.366 179.928 177.584 -0.036 0.000 1.181 93 A CA 2.089 54.099 52.037 -0.044 0.000 0.623 93 A CB -0.909 18.068 19.000 -0.038 0.000 0.818 93 A HN 0.572 nan 8.150 nan 0.000 0.443 94 A N 0.804 123.606 122.820 -0.031 0.000 1.898 94 A HA -0.160 4.041 4.320 -0.198 0.000 0.216 94 A C 2.119 179.686 177.584 -0.029 0.000 1.181 94 A CA 1.938 53.958 52.037 -0.028 0.000 0.620 94 A CB -0.470 18.513 19.000 -0.028 0.000 0.819 94 A HN 0.714 nan 8.150 nan 0.000 0.442 95 K N -0.200 120.182 120.400 -0.030 0.000 2.228 95 K HA -0.037 4.164 4.320 -0.198 0.000 0.202 95 K C 1.902 178.483 176.600 -0.032 0.000 1.051 95 K CA 1.435 57.703 56.287 -0.031 0.000 0.960 95 K CB -0.200 32.282 32.500 -0.030 0.000 0.743 95 K HN 0.330 nan 8.250 nan 0.000 0.458 96 K N 1.485 121.864 120.400 -0.036 0.000 2.057 96 K HA -0.143 4.058 4.320 -0.198 0.000 0.207 96 K C 1.800 178.381 176.600 -0.031 0.000 1.049 96 K CA 1.753 58.017 56.287 -0.037 0.000 0.931 96 K CB 0.079 32.550 32.500 -0.048 0.000 0.714 96 K HN 0.283 nan 8.250 nan 0.000 0.440 97 E N 0.473 120.656 120.200 -0.029 0.000 2.077 97 E HA -0.183 4.048 4.350 -0.198 0.000 0.193 97 E C 2.085 178.672 176.600 -0.021 0.000 0.989 97 E CA 1.159 57.544 56.400 -0.024 0.000 0.800 97 E CB -0.052 29.634 29.700 -0.023 0.000 0.746 97 E HN 0.303 nan 8.360 nan 0.000 0.452 98 L N 0.460 121.670 121.223 -0.023 0.000 2.056 98 L HA -0.143 4.078 4.340 -0.198 0.000 0.207 98 L C 2.554 179.411 176.870 -0.021 0.000 1.078 98 L CA 0.895 55.722 54.840 -0.021 0.000 0.749 98 L CB -0.432 41.612 42.059 -0.024 0.000 0.901 98 L HN 0.163 nan 8.230 nan 0.000 0.433 99 A N -0.084 122.722 122.820 -0.024 0.000 1.972 99 A HA -0.141 4.060 4.320 -0.198 0.000 0.219 99 A C 2.469 180.041 177.584 -0.019 0.000 1.169 99 A CA 1.498 53.522 52.037 -0.023 0.000 0.635 99 A CB -0.515 18.471 19.000 -0.024 0.000 0.810 99 A HN 0.419 nan 8.150 nan 0.000 0.446 100 A N -1.067 121.742 122.820 -0.019 0.000 2.019 100 A HA -0.035 4.167 4.320 -0.198 0.000 0.219 100 A C 2.289 179.865 177.584 -0.014 0.000 1.164 100 A CA 1.841 53.868 52.037 -0.017 0.000 0.644 100 A CB -0.559 18.431 19.000 -0.017 0.000 0.805 100 A HN 0.402 nan 8.150 nan 0.000 0.449 101 S N -0.855 114.836 115.700 -0.014 0.000 2.562 101 S HA 0.256 4.607 4.470 -0.198 0.000 0.221 101 S C 0.569 175.162 174.600 -0.011 0.000 0.975 101 S CA -0.271 57.922 58.200 -0.011 0.000 0.918 101 S CB -0.400 62.794 63.200 -0.010 0.000 0.772 101 S HN 0.462 nan 8.310 nan 0.000 0.531 102 L N 1.426 122.641 121.223 -0.013 0.000 2.416 102 L HA 0.105 4.326 4.340 -0.198 0.000 0.272 102 L C 1.600 178.464 176.870 -0.011 0.000 1.161 102 L CA -0.090 54.742 54.840 -0.013 0.000 0.845 102 L CB 0.840 42.890 42.059 -0.016 0.000 1.119 102 L HN 0.101 nan 8.230 nan 0.000 0.464 103 T N -0.020 114.528 114.554 -0.010 0.000 2.809 103 T HA -0.091 4.140 4.350 -0.198 0.000 0.260 103 T C 0.263 174.957 174.700 -0.009 0.000 1.039 103 T CA 0.874 62.969 62.100 -0.009 0.000 1.141 103 T CB -0.062 68.802 68.868 -0.007 0.000 0.869 103 T HN 0.535 nan 8.240 nan 0.000 0.437 104 D N 0.592 120.986 120.400 -0.010 0.000 2.349 104 D HA 0.328 4.849 4.640 -0.198 0.000 0.232 104 D C 0.072 176.364 176.300 -0.013 0.000 1.071 104 D CA -0.385 53.608 54.000 -0.010 0.000 0.832 104 D CB 1.257 42.051 40.800 -0.010 0.000 1.086 104 D HN -0.064 nan 8.370 nan 0.000 0.504 105 K N 0.939 121.332 120.400 -0.012 0.000 2.374 105 K HA 0.216 4.418 4.320 -0.198 0.000 0.196 105 K C 0.258 176.851 176.600 -0.012 0.000 1.023 105 K CA -0.203 56.076 56.287 -0.013 0.000 1.103 105 K CB 0.510 33.004 32.500 -0.011 0.000 0.848 105 K HN 0.217 nan 8.250 nan 0.000 0.528 106 S N 0.432 116.125 115.700 -0.011 0.000 2.560 106 S HA 0.246 4.597 4.470 -0.198 0.000 0.284 106 S C 1.309 175.901 174.600 -0.014 0.000 1.327 106 S CA 0.568 58.762 58.200 -0.010 0.000 1.055 106 S CB 0.808 64.003 63.200 -0.009 0.000 0.868 106 S HN 0.604 nan 8.310 nan 0.000 0.506 107 G N 1.453 110.246 108.800 -0.012 0.000 2.162 107 G HA2 -0.237 3.604 3.960 -0.198 0.000 0.260 107 G HA3 -0.237 3.605 3.960 -0.198 0.000 0.260 107 G C 0.027 174.914 174.900 -0.022 0.000 0.976 107 G CA -0.161 44.929 45.100 -0.016 0.000 0.655 107 G HN 0.593 nan 8.290 nan 0.000 0.533 108 L N 1.995 123.206 121.223 -0.020 0.000 2.453 108 L HA 0.377 4.598 4.340 -0.198 0.000 0.272 108 L C 1.608 178.465 176.870 -0.021 0.000 1.182 108 L CA 0.267 55.091 54.840 -0.026 0.000 0.858 108 L CB 0.830 42.877 42.059 -0.021 0.000 1.120 108 L HN 0.496 nan 8.230 nan 0.000 0.474 109 S N 0.438 116.114 115.700 -0.039 0.000 2.600 109 S HA -0.023 4.328 4.470 -0.198 0.000 0.265 109 S C 0.731 175.325 174.600 -0.010 0.000 1.325 109 S CA -0.389 57.788 58.200 -0.037 0.000 1.002 109 S CB 1.189 64.338 63.200 -0.085 0.000 0.921 109 S HN 0.747 nan 8.310 nan 0.000 0.554 110 D N 1.354 121.773 120.400 0.030 0.000 2.149 110 D HA -0.132 4.389 4.640 -0.198 0.000 0.198 110 D C 2.019 178.373 176.300 0.091 0.000 0.990 110 D CA 1.758 55.825 54.000 0.111 0.000 0.839 110 D CB -0.504 40.401 40.800 0.176 0.000 0.948 110 D HN 0.702 nan 8.370 nan 0.000 0.460 111 A N 0.331 123.032 122.820 -0.198 0.000 1.940 111 A HA -0.004 4.197 4.320 -0.198 0.000 0.219 111 A C 2.365 179.840 177.584 -0.181 0.000 1.176 111 A CA 2.101 53.788 52.037 -0.583 0.000 0.631 111 A CB -1.030 17.328 19.000 -1.069 0.000 0.814 111 A HN 0.344 nan 8.150 nan 0.000 0.446 112 A N -0.707 122.044 122.820 -0.116 0.000 1.969 112 A HA 0.083 4.285 4.320 -0.198 0.000 0.218 112 A C 2.082 179.667 177.584 0.002 0.000 1.169 112 A CA 1.442 53.444 52.037 -0.057 0.000 0.635 112 A CB -0.380 18.584 19.000 -0.059 0.000 0.810 112 A HN 0.471 nan 8.150 nan 0.000 0.445 113 L N -3.200 118.052 121.223 0.047 0.000 2.357 113 L HA 0.105 4.327 4.340 -0.198 0.000 0.211 113 L C 1.133 178.068 176.870 0.109 0.000 1.075 113 L CA -0.441 54.437 54.840 0.063 0.000 0.830 113 L CB -0.171 41.927 42.059 0.065 0.000 0.996 113 L HN 0.617 nan 8.230 nan 0.000 0.467 114 W N 3.383 124.694 121.300 0.019 0.000 2.190 114 W HA 0.228 4.768 4.660 -0.199 0.000 0.330 114 W C 0.335 176.881 176.519 0.044 0.000 1.299 114 W CA -0.160 57.219 57.345 0.057 0.000 1.215 114 W CB 0.464 30.011 29.460 0.144 0.000 1.147 114 W HN 0.061 nan 8.180 nan 0.000 0.563 115 E N 4.214 123.771 120.200 -1.072 0.000 2.408 115 E HA 0.836 5.067 4.350 -0.198 0.000 0.275 115 E C -1.759 173.993 176.600 -1.414 0.000 0.935 115 E CA -1.355 54.391 56.400 -1.091 0.000 0.775 115 E CB 1.687 31.108 29.700 -0.464 0.000 1.277 115 E HN 0.553 nan 8.360 nan 0.000 0.455 116 A N 0.666 122.894 122.820 -0.986 0.000 2.574 116 A HA 0.543 4.744 4.320 -0.198 0.000 0.297 116 A C -0.026 177.414 177.584 -0.240 0.000 1.062 116 A CA -0.179 51.555 52.037 -0.504 0.000 0.686 116 A CB 1.756 20.570 19.000 -0.311 0.000 1.285 116 A HN 0.784 nan 8.150 nan 0.000 0.403 117 S N 0.087 115.703 115.700 -0.141 0.000 2.497 117 S HA 0.165 4.516 4.470 -0.198 0.000 0.221 117 S C 0.196 174.775 174.600 -0.035 0.000 1.037 117 S CA 0.108 58.261 58.200 -0.078 0.000 0.920 117 S CB 0.005 63.162 63.200 -0.071 0.000 0.800 117 S HN 0.638 nan 8.310 nan 0.000 0.505 118 E N 2.022 122.209 120.200 -0.021 0.000 2.259 118 E HA 0.239 4.470 4.350 -0.198 0.000 0.281 118 E C 0.435 177.055 176.600 0.033 0.000 1.027 118 E CA -0.233 56.170 56.400 0.005 0.000 0.838 118 E CB 1.689 31.394 29.700 0.009 0.000 1.066 118 E HN 0.348 nan 8.360 nan 0.000 0.401 119 K N 2.140 122.558 120.400 0.030 0.000 2.074 119 K HA -0.214 3.987 4.320 -0.198 0.000 0.209 119 K C 1.824 178.457 176.600 0.054 0.000 1.048 119 K CA 1.979 58.291 56.287 0.042 0.000 0.926 119 K CB 0.026 32.540 32.500 0.024 0.000 0.713 119 K HN 0.455 nan 8.250 nan 0.000 0.444 120 S N 0.158 115.883 115.700 0.043 0.000 2.383 120 S HA -0.159 4.192 4.470 -0.198 0.000 0.229 120 S C 2.174 176.816 174.600 0.070 0.000 1.030 120 S CA 1.059 59.285 58.200 0.044 0.000 1.002 120 S CB -0.476 62.742 63.200 0.031 0.000 0.829 120 S HN 0.415 nan 8.310 nan 0.000 0.467 121 A N 1.738 124.616 122.820 0.097 0.000 1.968 121 A HA 0.199 4.400 4.320 -0.198 0.000 0.217 121 A C 2.312 180.059 177.584 0.272 0.000 1.169 121 A CA 1.332 53.469 52.037 0.168 0.000 0.638 121 A CB -0.691 18.404 19.000 0.158 0.000 0.812 121 A HN 0.585 nan 8.150 nan 0.000 0.446 122 M N -0.546 119.202 119.600 0.247 0.000 2.132 122 M HA -0.074 4.288 4.480 -0.198 0.000 0.263 122 M C 2.036 178.402 176.300 0.111 0.000 1.065 122 M CA 1.333 56.800 55.300 0.278 0.000 1.122 122 M CB -0.510 32.216 32.600 0.211 0.000 1.365 122 M HN 0.346 nan 8.290 nan 0.000 0.411 123 L N -0.174 121.091 121.223 0.070 0.000 2.056 123 L HA -0.147 4.074 4.340 -0.198 0.000 0.207 123 L C 2.888 179.753 176.870 -0.009 0.000 1.078 123 L CA 1.105 55.957 54.840 0.020 0.000 0.749 123 L CB -0.961 41.109 42.059 0.019 0.000 0.901 123 L HN 0.301 nan 8.230 nan 0.000 0.433 124 A N 0.278 123.105 122.820 0.011 0.000 1.902 124 A HA -0.261 3.941 4.320 -0.198 0.000 0.217 124 A C 2.317 179.851 177.584 -0.084 0.000 1.181 124 A CA 2.071 54.099 52.037 -0.015 0.000 0.623 124 A CB -0.412 18.602 19.000 0.022 0.000 0.818 124 A HN 0.228 nan 8.150 nan 0.000 0.443 125 K N 0.227 120.556 120.400 -0.117 0.000 2.057 125 K HA 0.025 4.226 4.320 -0.198 0.000 0.207 125 K C 1.983 178.350 176.600 -0.388 0.000 1.049 125 K CA 1.594 57.659 56.287 -0.371 0.000 0.931 125 K CB -0.643 31.394 32.500 -0.772 0.000 0.714 125 K HN 0.322 nan 8.250 nan 0.000 0.440 126 A N 0.230 122.899 122.820 -0.250 0.000 1.948 126 A HA -0.114 4.087 4.320 -0.198 0.000 0.220 126 A C 2.394 179.870 177.584 -0.180 0.000 1.177 126 A CA 2.041 53.958 52.037 -0.200 0.000 0.636 126 A CB -1.490 17.453 19.000 -0.094 0.000 0.815 126 A HN 0.496 nan 8.150 nan 0.000 0.449 127 G N -0.948 107.765 108.800 -0.145 0.000 2.479 127 G HA2 -0.151 3.690 3.960 -0.198 0.000 0.220 127 G HA3 -0.151 3.690 3.960 -0.198 0.000 0.220 127 G C 1.382 176.195 174.900 -0.145 0.000 1.115 127 G CA 1.865 46.895 45.100 -0.118 0.000 0.757 127 G HN 0.835 nan 8.290 nan 0.000 0.560 128 T N -2.424 112.007 114.554 -0.206 0.000 3.085 128 T HA 0.292 4.523 4.350 -0.198 0.000 0.264 128 T C 1.179 175.712 174.700 -0.279 0.000 1.019 128 T CA 0.584 62.556 62.100 -0.214 0.000 0.910 128 T CB 0.727 69.473 68.868 -0.203 0.000 1.059 128 T HN 0.557 nan 8.240 nan 0.000 0.542 129 V N -2.163 117.546 119.914 -0.341 0.000 3.166 129 V HA 0.713 4.714 4.120 -0.198 0.000 0.332 129 V C 0.858 176.874 176.094 -0.130 0.000 1.434 129 V CA -0.316 61.745 62.300 -0.399 0.000 1.121 129 V CB -0.253 30.953 31.823 -1.028 0.000 1.062 129 V HN 0.363 nan 8.190 nan 0.000 0.489 130 G N 0.455 109.195 108.800 -0.101 0.000 2.508 130 G HA2 0.369 4.210 3.960 -0.198 0.000 0.278 130 G HA3 0.369 4.210 3.960 -0.198 0.000 0.278 130 G C 0.893 175.761 174.900 -0.053 0.000 1.389 130 G CA 0.343 45.404 45.100 -0.065 0.000 1.050 130 G HN 0.101 nan 8.290 nan 0.000 0.522 131 V N 0.484 120.196 119.914 -0.337 0.000 2.324 131 V HA -0.190 3.812 4.120 -0.198 0.000 0.250 131 V C 2.863 178.783 176.094 -0.290 0.000 1.060 131 V CA 1.670 63.611 62.300 -0.598 0.000 1.042 131 V CB -0.437 30.828 31.823 -0.930 0.000 0.650 131 V HN 0.480 nan 8.190 nan 0.000 0.450 132 M N -0.471 118.902 119.600 -0.379 0.000 2.630 132 M HA 0.029 4.391 4.480 -0.198 0.000 0.254 132 M C 2.253 178.463 176.300 -0.149 0.000 1.092 132 M CA 1.308 56.412 55.300 -0.327 0.000 1.087 132 M CB -1.377 30.981 32.600 -0.402 0.000 1.453 132 M HN 0.423 nan 8.290 nan 0.000 0.509 133 A N 0.017 122.790 122.820 -0.080 0.000 2.019 133 A HA -0.065 4.136 4.320 -0.198 0.000 0.219 133 A C 1.209 178.793 177.584 0.002 0.000 1.164 133 A CA 1.166 53.180 52.037 -0.039 0.000 0.644 133 A CB -0.737 18.247 19.000 -0.026 0.000 0.805 133 A HN 0.402 nan 8.150 nan 0.000 0.449 134 T N 0.822 115.408 114.554 0.053 0.000 2.729 134 T HA 0.324 4.555 4.350 -0.198 0.000 0.296 134 T C 1.532 176.243 174.700 0.018 0.000 0.928 134 T CA 0.411 62.545 62.100 0.056 0.000 1.045 134 T CB 1.276 70.219 68.868 0.125 0.000 0.902 134 T HN 0.560 nan 8.240 nan 0.000 0.500 135 T N 0.492 115.047 114.554 0.002 0.000 2.894 135 T HA -0.020 4.211 4.350 -0.198 0.000 0.258 135 T C 0.700 175.402 174.700 0.003 0.000 1.043 135 T CA 0.177 62.270 62.100 -0.012 0.000 1.141 135 T CB -0.347 68.512 68.868 -0.015 0.000 0.873 135 T HN 0.543 nan 8.240 nan 0.000 0.449 136 D N 1.648 122.057 120.400 0.015 0.000 2.417 136 D HA 0.100 4.621 4.640 -0.198 0.000 0.250 136 D C 0.607 176.933 176.300 0.042 0.000 1.166 136 D CA -0.160 53.854 54.000 0.023 0.000 0.881 136 D CB 0.652 41.463 40.800 0.019 0.000 1.164 136 D HN 0.016 nan 8.370 nan 0.000 0.467 137 D N 2.913 123.339 120.400 0.044 0.000 2.104 137 D HA -0.160 4.362 4.640 -0.198 0.000 0.194 137 D C 1.046 177.398 176.300 0.087 0.000 0.994 137 D CA 1.130 55.171 54.000 0.068 0.000 0.830 137 D CB 0.061 40.895 40.800 0.058 0.000 0.959 137 D HN 0.536 nan 8.370 nan 0.000 0.452 138 D N -0.113 120.326 120.400 0.064 0.000 2.137 138 D HA -0.056 4.465 4.640 -0.198 0.000 0.202 138 D C 2.342 178.677 176.300 0.059 0.000 0.970 138 D CA 0.268 54.305 54.000 0.062 0.000 0.837 138 D CB -0.248 40.578 40.800 0.042 0.000 0.981 138 D HN 0.058 nan 8.370 nan 0.000 0.475 139 V N 1.111 121.052 119.914 0.045 0.000 2.343 139 V HA -0.217 3.784 4.120 -0.198 0.000 0.247 139 V C 2.570 178.693 176.094 0.049 0.000 1.051 139 V CA 1.535 63.851 62.300 0.026 0.000 1.036 139 V CB -0.418 31.412 31.823 0.011 0.000 0.654 139 V HN 0.114 nan 8.190 nan 0.000 0.451 140 R N 0.067 120.632 120.500 0.108 0.000 2.080 140 R HA -0.201 4.020 4.340 -0.198 0.000 0.236 140 R C 2.666 179.156 176.300 0.317 0.000 1.137 140 R CA 2.021 58.261 56.100 0.233 0.000 0.943 140 R CB -0.568 29.870 30.300 0.230 0.000 0.846 140 R HN 0.475 nan 8.270 nan 0.000 0.431 141 S N 0.189 116.038 115.700 0.248 0.000 2.359 141 S HA -0.132 4.219 4.470 -0.198 0.000 0.224 141 S C 1.977 176.676 174.600 0.166 0.000 1.035 141 S CA 1.480 59.835 58.200 0.257 0.000 1.018 141 S CB -0.225 63.085 63.200 0.183 0.000 0.876 141 S HN 0.384 nan 8.310 nan 0.000 0.448 142 L N 0.525 121.794 121.223 0.076 0.000 2.072 142 L HA 0.023 4.244 4.340 -0.198 0.000 0.205 142 L C 2.946 179.757 176.870 -0.098 0.000 1.079 142 L CA 1.136 55.978 54.840 0.004 0.000 0.752 142 L CB -0.437 41.620 42.059 -0.003 0.000 0.906 142 L HN 0.241 nan 8.230 nan 0.000 0.436 143 R N -0.765 119.641 120.500 -0.157 0.000 2.091 143 R HA -0.208 4.013 4.340 -0.198 0.000 0.238 143 R C 2.104 178.016 176.300 -0.647 0.000 1.136 143 R CA 2.174 58.033 56.100 -0.402 0.000 0.959 143 R CB -0.377 29.629 30.300 -0.490 0.000 0.856 143 R HN 0.366 nan 8.270 nan 0.000 0.437 144 W N 0.017 121.144 121.300 -0.289 0.000 2.476 144 W HA -0.018 4.516 4.660 -0.209 0.000 0.281 144 W C 1.925 177.849 176.519 -0.991 0.000 1.230 144 W CA -0.188 56.736 57.345 -0.702 0.000 1.287 144 W CB -0.343 28.852 29.460 -0.442 0.000 1.108 144 W HN 0.078 nan 8.180 nan 0.000 0.567 145 L N 0.699 121.749 121.223 -0.288 0.000 2.012 145 L HA -0.188 4.033 4.340 -0.198 0.000 0.210 145 L C 1.972 178.729 176.870 -0.189 0.000 1.073 145 L CA 1.968 56.713 54.840 -0.159 0.000 0.748 145 L CB -0.940 41.165 42.059 0.076 0.000 0.891 145 L HN 0.018 nan 8.230 nan 0.000 0.431 146 I N -1.123 119.322 120.570 -0.207 0.000 2.179 146 I HA -0.305 3.746 4.170 -0.198 0.000 0.242 146 I C 2.246 178.227 176.117 -0.226 0.000 1.088 146 I CA 1.736 62.932 61.300 -0.173 0.000 1.357 146 I CB -0.699 37.194 38.000 -0.178 0.000 1.051 146 I HN 0.275 nan 8.210 nan 0.000 0.409 147 T N 0.892 115.204 114.554 -0.402 0.000 2.684 147 T HA -0.178 4.053 4.350 -0.198 0.000 0.267 147 T C 1.687 176.312 174.700 -0.125 0.000 1.036 147 T CA 1.661 63.544 62.100 -0.361 0.000 1.148 147 T CB -0.500 68.007 68.868 -0.602 0.000 0.863 147 T HN 0.245 nan 8.240 nan 0.000 0.436 148 F N 1.159 121.048 119.950 -0.103 0.000 2.186 148 F HA 0.018 4.426 4.527 -0.198 0.000 0.299 148 F C 2.880 178.613 175.800 -0.112 0.000 1.090 148 F CA 0.365 58.285 58.000 -0.133 0.000 1.307 148 F CB -0.692 38.120 39.000 -0.314 0.000 1.019 148 F HN 0.245 nan 8.300 nan 0.000 0.489 149 G N 0.753 109.590 108.800 0.061 0.000 2.418 149 G HA2 -0.210 3.631 3.960 -0.198 0.000 0.217 149 G HA3 -0.210 3.631 3.960 -0.198 0.000 0.217 149 G C 1.639 176.547 174.900 0.012 0.000 1.158 149 G CA 0.669 45.789 45.100 0.033 0.000 0.771 149 G HN 0.269 nan 8.290 nan 0.000 0.545 150 L N -0.104 121.115 121.223 -0.006 0.000 2.131 150 L HA -0.043 4.178 4.340 -0.198 0.000 0.210 150 L C 2.952 179.794 176.870 -0.047 0.000 1.092 150 L CA 1.101 55.928 54.840 -0.022 0.000 0.759 150 L CB -0.254 41.760 42.059 -0.075 0.000 0.903 150 L HN 0.190 nan 8.230 nan 0.000 0.435 151 K N 0.011 120.392 120.400 -0.032 0.000 2.026 151 K HA -0.116 4.085 4.320 -0.198 0.000 0.208 151 K C 2.176 178.645 176.600 -0.218 0.000 1.048 151 K CA 1.380 57.622 56.287 -0.074 0.000 0.929 151 K CB -0.519 31.985 32.500 0.007 0.000 0.713 151 K HN 0.387 nan 8.250 nan 0.000 0.439 152 G N 1.577 110.251 108.800 -0.210 0.000 2.418 152 G HA2 -0.282 3.559 3.960 -0.198 0.000 0.217 152 G HA3 -0.282 3.559 3.960 -0.198 0.000 0.217 152 G C 1.458 176.065 174.900 -0.488 0.000 1.158 152 G CA 0.747 45.607 45.100 -0.399 0.000 0.771 152 G HN 0.195 nan 8.290 nan 0.000 0.545 153 M N 0.836 120.314 119.600 -0.203 0.000 2.117 153 M HA -0.002 4.359 4.480 -0.198 0.000 0.262 153 M C 2.772 179.023 176.300 -0.081 0.000 1.065 153 M CA 1.791 57.056 55.300 -0.059 0.000 1.114 153 M CB -0.129 32.512 32.600 0.067 0.000 1.361 153 M HN 0.284 nan 8.290 nan 0.000 0.408 154 A N 0.231 122.972 122.820 -0.132 0.000 1.933 154 A HA -0.052 4.149 4.320 -0.198 0.000 0.218 154 A C 2.295 179.736 177.584 -0.238 0.000 1.175 154 A CA 1.841 53.807 52.037 -0.119 0.000 0.628 154 A CB -1.109 17.834 19.000 -0.095 0.000 0.814 154 A HN 0.668 nan 8.150 nan 0.000 0.444 155 A N -1.023 121.453 122.820 -0.572 0.000 1.883 155 A HA -0.142 4.059 4.320 -0.198 0.000 0.217 155 A C 2.142 179.549 177.584 -0.295 0.000 1.186 155 A CA 1.551 52.986 52.037 -1.003 0.000 0.624 155 A CB -0.928 17.151 19.000 -1.535 0.000 0.822 155 A HN 0.680 nan 8.150 nan 0.000 0.444 156 Y N -0.521 119.703 120.300 -0.126 0.000 2.200 156 Y HA -0.114 4.389 4.550 -0.077 0.000 0.290 156 Y C 2.988 178.934 175.900 0.077 0.000 1.137 156 Y CA 0.313 58.445 58.100 0.054 0.000 1.163 156 Y CB -0.230 38.256 38.460 0.044 0.000 0.988 156 Y HN 0.384 nan 8.280 nan 0.000 0.518 157 A N 0.471 123.404 122.820 0.189 0.000 1.933 157 A HA -0.246 3.955 4.320 -0.198 0.000 0.218 157 A C 2.111 179.785 177.584 0.151 0.000 1.175 157 A CA 1.935 54.069 52.037 0.161 0.000 0.628 157 A CB -0.567 18.512 19.000 0.130 0.000 0.814 157 A HN 0.395 nan 8.150 nan 0.000 0.444 158 K N -1.253 119.203 120.400 0.094 0.000 2.057 158 K HA -0.168 4.033 4.320 -0.198 0.000 0.206 158 K C 1.847 178.515 176.600 0.114 0.000 1.050 158 K CA 1.570 57.908 56.287 0.085 0.000 0.935 158 K CB -0.278 32.278 32.500 0.093 0.000 0.715 158 K HN 0.729 nan 8.250 nan 0.000 0.439 159 H N -0.741 118.473 119.070 0.241 0.000 2.387 159 H HA -0.077 4.335 4.556 -0.239 0.000 0.299 159 H C 1.924 177.358 175.328 0.177 0.000 1.090 159 H CA 1.195 57.378 56.048 0.225 0.000 1.332 159 H CB 0.059 29.972 29.762 0.252 0.000 1.386 159 H HN 0.338 nan 8.280 nan 0.000 0.516 160 A N 0.671 123.657 122.820 0.277 0.000 1.902 160 A HA -0.238 3.964 4.320 -0.198 0.000 0.217 160 A C 1.998 179.694 177.584 0.186 0.000 1.181 160 A CA 1.975 54.130 52.037 0.195 0.000 0.623 160 A CB -0.434 18.662 19.000 0.160 0.000 0.818 160 A HN 0.443 nan 8.150 nan 0.000 0.443 161 D N -0.481 120.039 120.400 0.200 0.000 2.117 161 D HA -0.114 4.407 4.640 -0.198 0.000 0.197 161 D C 1.758 178.159 176.300 0.168 0.000 0.987 161 D CA 1.383 55.506 54.000 0.205 0.000 0.829 161 D CB -0.155 40.764 40.800 0.200 0.000 0.961 161 D HN 0.121 nan 8.370 nan 0.000 0.460 162 V N 0.341 120.354 119.914 0.165 0.000 2.453 162 V HA -0.201 3.800 4.120 -0.198 0.000 0.252 162 V C 2.190 178.370 176.094 0.145 0.000 1.068 162 V CA 1.254 63.648 62.300 0.155 0.000 1.070 162 V CB -0.370 31.573 31.823 0.200 0.000 0.664 162 V HN 0.335 nan 8.190 nan 0.000 0.461 163 L N -0.147 121.164 121.223 0.147 0.000 2.629 163 L HA 0.355 4.576 4.340 -0.198 0.000 0.230 163 L C 1.556 178.471 176.870 0.074 0.000 1.151 163 L CA 0.753 55.651 54.840 0.097 0.000 0.924 163 L CB -0.080 42.028 42.059 0.082 0.000 1.137 163 L HN 0.509 nan 8.230 nan 0.000 0.457 164 G N -0.298 108.568 108.800 0.110 0.000 2.141 164 G HA2 -0.202 3.639 3.960 -0.198 0.000 0.231 164 G HA3 -0.202 3.639 3.960 -0.198 0.000 0.231 164 G C -0.022 174.962 174.900 0.140 0.000 0.984 164 G CA -0.336 44.834 45.100 0.117 0.000 0.660 164 G HN 0.136 nan 8.290 nan 0.000 0.525 165 K N 1.478 121.966 120.400 0.147 0.000 2.274 165 K HA 0.639 4.841 4.320 -0.198 0.000 0.262 165 K C -0.113 176.604 176.600 0.194 0.000 0.961 165 K CA -0.578 55.774 56.287 0.109 0.000 0.833 165 K CB 1.552 34.088 32.500 0.060 0.000 1.102 165 K HN 0.755 nan 8.250 nan 0.000 0.436 166 H N -0.288 118.774 119.070 -0.014 0.000 3.012 166 H HA 0.495 4.931 4.556 -0.200 0.000 0.367 166 H C -1.275 174.033 175.328 -0.034 0.000 1.211 166 H CA -0.793 55.245 56.048 -0.017 0.000 1.139 166 H CB 1.818 31.517 29.762 -0.106 0.000 1.838 166 H HN 0.444 nan 8.280 nan 0.000 0.550 167 E N 1.391 121.606 120.200 0.025 0.000 2.218 167 E HA 0.183 4.414 4.350 -0.198 0.000 0.263 167 E C 0.357 176.998 176.600 0.068 0.000 0.879 167 E CA -0.721 55.672 56.400 -0.011 0.000 0.762 167 E CB 2.378 32.102 29.700 0.040 0.000 1.166 167 E HN 0.612 nan 8.360 nan 0.000 0.415 168 N N 1.177 119.900 118.700 0.038 0.000 2.149 168 N HA -0.182 4.439 4.740 -0.198 0.000 0.188 168 N C 1.733 177.303 175.510 0.100 0.000 1.019 168 N CA 1.761 54.859 53.050 0.080 0.000 0.857 168 N CB 0.136 38.653 38.487 0.049 0.000 0.997 168 N HN 0.402 nan 8.380 nan 0.000 0.426 169 S N 1.103 116.872 115.700 0.115 0.000 2.399 169 S HA -0.108 4.243 4.470 -0.198 0.000 0.231 169 S C 2.061 176.791 174.600 0.216 0.000 1.022 169 S CA 0.505 58.809 58.200 0.174 0.000 0.983 169 S CB -0.528 62.803 63.200 0.217 0.000 0.803 169 S HN 0.332 nan 8.310 nan 0.000 0.480 170 L N 1.549 122.907 121.223 0.225 0.000 2.023 170 L HA -0.091 4.130 4.340 -0.198 0.000 0.205 170 L C 2.059 179.013 176.870 0.139 0.000 1.073 170 L CA 1.976 56.959 54.840 0.239 0.000 0.745 170 L CB -0.521 41.679 42.059 0.234 0.000 0.900 170 L HN 0.221 nan 8.230 nan 0.000 0.435 171 D N 0.186 120.664 120.400 0.130 0.000 2.144 171 D HA -0.170 4.351 4.640 -0.198 0.000 0.199 171 D C 2.129 178.442 176.300 0.022 0.000 0.984 171 D CA 1.392 55.447 54.000 0.091 0.000 0.834 171 D CB 0.094 40.981 40.800 0.146 0.000 0.955 171 D HN 0.524 nan 8.370 nan 0.000 0.465 172 A N 0.977 123.814 122.820 0.028 0.000 1.902 172 A HA -0.183 4.018 4.320 -0.198 0.000 0.217 172 A C 2.049 179.573 177.584 -0.102 0.000 1.181 172 A CA 0.983 53.009 52.037 -0.019 0.000 0.623 172 A CB -0.962 18.048 19.000 0.017 0.000 0.818 172 A HN 0.238 nan 8.150 nan 0.000 0.443 173 F N -0.046 119.731 119.950 -0.288 0.000 2.102 173 F HA -0.188 4.216 4.527 -0.206 0.000 0.298 173 F C 2.302 177.891 175.800 -0.351 0.000 1.105 173 F CA 2.176 59.870 58.000 -0.510 0.000 1.239 173 F CB -0.329 37.889 39.000 -1.303 0.000 0.991 173 F HN 0.240 nan 8.300 nan 0.000 0.474 174 M N 0.040 119.440 119.600 -0.334 0.000 2.106 174 M HA -0.318 4.043 4.480 -0.198 0.000 0.259 174 M C 2.187 178.268 176.300 -0.364 0.000 1.068 174 M CA 2.131 57.238 55.300 -0.323 0.000 1.100 174 M CB -0.289 32.260 32.600 -0.085 0.000 1.351 174 M HN 0.328 nan 8.290 nan 0.000 0.404 175 Q N -0.776 118.866 119.800 -0.264 0.000 2.123 175 Q HA -0.192 4.029 4.340 -0.198 0.000 0.199 175 Q C 1.899 177.744 176.000 -0.259 0.000 0.966 175 Q CA 1.519 57.195 55.803 -0.211 0.000 0.845 175 Q CB -0.119 28.541 28.738 -0.130 0.000 0.907 175 Q HN 0.599 nan 8.270 nan 0.000 0.439 176 E N 0.519 120.528 120.200 -0.318 0.000 2.072 176 E HA -0.184 4.047 4.350 -0.198 0.000 0.191 176 E C 1.864 178.229 176.600 -0.392 0.000 0.985 176 E CA 0.939 57.156 56.400 -0.307 0.000 0.801 176 E CB -0.018 29.519 29.700 -0.272 0.000 0.750 176 E HN 0.332 nan 8.360 nan 0.000 0.452 177 A N 1.085 123.521 122.820 -0.640 0.000 1.898 177 A HA -0.125 4.076 4.320 -0.198 0.000 0.216 177 A C 2.202 179.551 177.584 -0.391 0.000 1.181 177 A CA 0.941 52.613 52.037 -0.609 0.000 0.620 177 A CB -0.630 17.785 19.000 -0.975 0.000 0.819 177 A HN 0.293 nan 8.150 nan 0.000 0.442 178 L N -0.688 120.320 121.223 -0.357 0.000 2.012 178 L HA -0.244 3.978 4.340 -0.198 0.000 0.210 178 L C 3.115 179.835 176.870 -0.249 0.000 1.073 178 L CA 1.228 55.902 54.840 -0.277 0.000 0.748 178 L CB -0.535 41.389 42.059 -0.226 0.000 0.891 178 L HN 0.447 nan 8.230 nan 0.000 0.431 179 A N -0.139 122.544 122.820 -0.229 0.000 1.933 179 A HA -0.224 3.977 4.320 -0.198 0.000 0.218 179 A C 2.297 179.772 177.584 -0.182 0.000 1.175 179 A CA 1.674 53.596 52.037 -0.190 0.000 0.628 179 A CB -0.367 18.535 19.000 -0.164 0.000 0.814 179 A HN 0.324 nan 8.150 nan 0.000 0.444 180 K N -0.443 119.839 120.400 -0.195 0.000 2.209 180 K HA -0.112 4.089 4.320 -0.198 0.000 0.204 180 K C 1.977 178.473 176.600 -0.175 0.000 1.048 180 K CA 1.634 57.821 56.287 -0.166 0.000 0.940 180 K CB -0.349 32.054 32.500 -0.161 0.000 0.729 180 K HN 0.742 nan 8.250 nan 0.000 0.451 181 T N -1.131 113.288 114.554 -0.225 0.000 3.113 181 T HA -0.001 4.230 4.350 -0.198 0.000 0.263 181 T C 1.445 176.008 174.700 -0.228 0.000 1.143 181 T CA 0.626 62.566 62.100 -0.266 0.000 1.090 181 T CB -0.051 68.582 68.868 -0.393 0.000 0.922 181 T HN 0.100 nan 8.240 nan 0.000 0.521 182 L N 0.299 121.415 121.223 -0.178 0.000 2.693 182 L HA 0.341 4.562 4.340 -0.198 0.000 0.235 182 L C 0.546 177.362 176.870 -0.090 0.000 1.127 182 L CA -0.250 54.515 54.840 -0.124 0.000 0.914 182 L CB 0.205 42.185 42.059 -0.132 0.000 1.193 182 L HN 0.165 nan 8.230 nan 0.000 0.502 183 D N 0.766 121.108 120.400 -0.097 0.000 2.352 183 D HA 0.006 4.527 4.640 -0.198 0.000 0.245 183 D C 0.573 176.839 176.300 -0.058 0.000 1.224 183 D CA 0.038 53.995 54.000 -0.072 0.000 0.879 183 D CB 1.057 41.812 40.800 -0.076 0.000 1.057 183 D HN 0.008 nan 8.370 nan 0.000 0.491 184 D N 1.452 121.827 120.400 -0.041 0.000 2.348 184 D HA -0.137 4.385 4.640 -0.198 0.000 0.216 184 D C 1.778 178.063 176.300 -0.026 0.000 0.970 184 D CA 0.574 54.556 54.000 -0.030 0.000 0.889 184 D CB 0.163 40.951 40.800 -0.019 0.000 0.912 184 D HN 0.462 nan 8.370 nan 0.000 0.524 185 S N -0.348 115.335 115.700 -0.028 0.000 2.489 185 S HA -0.001 4.350 4.470 -0.198 0.000 0.228 185 S C 1.061 175.647 174.600 -0.023 0.000 0.995 185 S CA -0.168 58.019 58.200 -0.022 0.000 0.934 185 S CB -0.204 62.983 63.200 -0.022 0.000 0.771 185 S HN 0.120 nan 8.310 nan 0.000 0.522 186 L N 3.533 124.738 121.223 -0.030 0.000 2.416 186 L HA 0.261 4.482 4.340 -0.198 0.000 0.272 186 L C 0.943 177.801 176.870 -0.021 0.000 1.161 186 L CA -0.514 54.309 54.840 -0.028 0.000 0.845 186 L CB 0.725 42.759 42.059 -0.041 0.000 1.119 186 L HN 0.398 nan 8.230 nan 0.000 0.464 187 S N 2.088 117.780 115.700 -0.013 0.000 2.634 187 S HA 0.193 4.544 4.470 -0.198 0.000 0.261 187 S C 1.160 175.757 174.600 -0.005 0.000 1.271 187 S CA -0.950 57.246 58.200 -0.007 0.000 0.985 187 S CB 1.534 64.732 63.200 -0.002 0.000 0.968 187 S HN 0.330 nan 8.310 nan 0.000 0.568 188 V N 1.465 121.380 119.914 0.001 0.000 2.332 188 V HA -0.178 3.823 4.120 -0.198 0.000 0.248 188 V C 2.982 179.082 176.094 0.010 0.000 1.055 188 V CA 2.366 64.670 62.300 0.007 0.000 1.038 188 V CB -1.808 30.023 31.823 0.013 0.000 0.651 188 V HN 1.005 nan 8.190 nan 0.000 0.450 189 A N -0.173 122.653 122.820 0.010 0.000 1.908 189 A HA -0.265 3.936 4.320 -0.198 0.000 0.218 189 A C 1.998 179.591 177.584 0.015 0.000 1.181 189 A CA 2.045 54.090 52.037 0.015 0.000 0.627 189 A CB -0.631 18.376 19.000 0.011 0.000 0.818 189 A HN 0.547 nan 8.150 nan 0.000 0.445 190 D N 0.016 120.421 120.400 0.008 0.000 2.123 190 D HA -0.120 4.401 4.640 -0.198 0.000 0.196 190 D C 1.902 178.205 176.300 0.006 0.000 0.992 190 D CA 1.140 55.144 54.000 0.006 0.000 0.833 190 D CB -0.300 40.496 40.800 -0.005 0.000 0.954 190 D HN 0.474 nan 8.370 nan 0.000 0.455 191 L N 0.177 121.398 121.223 -0.003 0.000 2.179 191 L HA -0.081 4.140 4.340 -0.198 0.000 0.208 191 L C 2.496 179.370 176.870 0.008 0.000 1.096 191 L CA 0.283 55.116 54.840 -0.011 0.000 0.779 191 L CB -0.124 41.919 42.059 -0.026 0.000 0.922 191 L HN -0.086 nan 8.230 nan 0.000 0.443 192 V N 0.212 120.140 119.914 0.022 0.000 2.343 192 V HA -0.293 3.709 4.120 -0.198 0.000 0.247 192 V C 2.778 178.902 176.094 0.050 0.000 1.051 192 V CA 1.817 64.141 62.300 0.040 0.000 1.036 192 V CB -0.879 30.975 31.823 0.051 0.000 0.654 192 V HN 0.476 nan 8.190 nan 0.000 0.451 193 A N -0.182 122.667 122.820 0.047 0.000 1.908 193 A HA -0.211 3.990 4.320 -0.198 0.000 0.218 193 A C 2.159 179.786 177.584 0.073 0.000 1.181 193 A CA 2.138 54.209 52.037 0.057 0.000 0.627 193 A CB -0.575 18.454 19.000 0.049 0.000 0.818 193 A HN 0.454 nan 8.150 nan 0.000 0.445 194 L N -0.350 120.912 121.223 0.065 0.000 2.141 194 L HA -0.059 4.163 4.340 -0.198 0.000 0.209 194 L C 2.388 179.322 176.870 0.106 0.000 1.094 194 L CA 2.541 57.439 54.840 0.097 0.000 0.763 194 L CB -0.967 41.115 42.059 0.039 0.000 0.908 194 L HN 0.364 nan 8.230 nan 0.000 0.437 195 T N -0.222 114.364 114.554 0.055 0.000 2.708 195 T HA -0.180 4.052 4.350 -0.198 0.000 0.266 195 T C 1.916 176.640 174.700 0.040 0.000 1.037 195 T CA 1.965 64.087 62.100 0.036 0.000 1.146 195 T CB -0.299 68.576 68.868 0.010 0.000 0.865 195 T HN 0.301 nan 8.240 nan 0.000 0.435 196 L N 0.489 121.737 121.223 0.043 0.000 2.156 196 L HA -0.011 4.210 4.340 -0.198 0.000 0.208 196 L C 2.738 179.631 176.870 0.038 0.000 1.095 196 L CA 1.164 56.021 54.840 0.028 0.000 0.770 196 L CB -0.411 41.684 42.059 0.059 0.000 0.914 196 L HN 0.317 nan 8.230 nan 0.000 0.439 197 E N -0.266 119.983 120.200 0.082 0.000 2.106 197 E HA -0.192 4.039 4.350 -0.198 0.000 0.192 197 E C 1.955 178.598 176.600 0.071 0.000 0.984 197 E CA 1.569 58.021 56.400 0.086 0.000 0.806 197 E CB 0.155 29.970 29.700 0.191 0.000 0.750 197 E HN 0.375 nan 8.360 nan 0.000 0.458 198 T N -0.267 114.410 114.554 0.204 0.000 2.746 198 T HA -0.133 4.098 4.350 -0.198 0.000 0.267 198 T C 1.686 176.457 174.700 0.119 0.000 1.039 198 T CA 1.174 63.428 62.100 0.257 0.000 1.142 198 T CB -0.577 68.435 68.868 0.240 0.000 0.866 198 T HN 0.403 nan 8.240 nan 0.000 0.444 199 G N 1.372 110.203 108.800 0.051 0.000 2.440 199 G HA2 -0.263 3.579 3.960 -0.198 0.000 0.218 199 G HA3 -0.263 3.579 3.960 -0.198 0.000 0.218 199 G C 1.487 176.379 174.900 -0.014 0.000 1.154 199 G CA 1.170 46.276 45.100 0.011 0.000 0.767 199 G HN 0.478 nan 8.290 nan 0.000 0.552 200 K N -0.481 119.879 120.400 -0.067 0.000 2.026 200 K HA -0.028 4.173 4.320 -0.198 0.000 0.208 200 K C 2.132 178.569 176.600 -0.272 0.000 1.048 200 K CA 1.089 57.268 56.287 -0.181 0.000 0.929 200 K CB -0.304 32.038 32.500 -0.264 0.000 0.713 200 K HN 0.324 nan 8.250 nan 0.000 0.439 201 F N 0.441 120.230 119.950 -0.268 0.000 2.407 201 F HA 0.024 4.428 4.527 -0.205 0.000 0.299 201 F C 2.258 178.020 175.800 -0.062 0.000 1.097 201 F CA 1.010 58.861 58.000 -0.249 0.000 1.422 201 F CB -0.373 38.297 39.000 -0.551 0.000 1.067 201 F HN 0.214 nan 8.300 nan 0.000 0.539 202 G N -0.046 108.827 108.800 0.123 0.000 2.421 202 G HA2 -0.206 3.635 3.960 -0.198 0.000 0.216 202 G HA3 -0.206 3.635 3.960 -0.198 0.000 0.216 202 G C 1.809 176.781 174.900 0.118 0.000 1.171 202 G CA 1.170 46.355 45.100 0.141 0.000 0.775 202 G HN 0.222 nan 8.290 nan 0.000 0.543 203 V N 1.230 121.181 119.914 0.062 0.000 2.332 203 V HA -0.208 3.793 4.120 -0.198 0.000 0.248 203 V C 3.133 179.231 176.094 0.006 0.000 1.055 203 V CA 2.272 64.618 62.300 0.077 0.000 1.038 203 V CB -0.685 31.171 31.823 0.055 0.000 0.651 203 V HN 0.369 nan 8.190 nan 0.000 0.450 204 S N 0.298 115.971 115.700 -0.046 0.000 2.370 204 S HA -0.194 4.157 4.470 -0.198 0.000 0.226 204 S C 2.221 176.811 174.600 -0.016 0.000 1.033 204 S CA 1.501 59.665 58.200 -0.061 0.000 1.011 204 S CB -0.542 62.601 63.200 -0.094 0.000 0.852 204 S HN 0.667 nan 8.310 nan 0.000 0.457 205 A N 1.360 124.219 122.820 0.066 0.000 1.898 205 A HA -0.004 4.197 4.320 -0.198 0.000 0.216 205 A C 2.161 179.759 177.584 0.023 0.000 1.181 205 A CA 1.362 53.463 52.037 0.107 0.000 0.620 205 A CB -0.577 18.544 19.000 0.203 0.000 0.819 205 A HN 0.455 nan 8.150 nan 0.000 0.442 206 M N -0.702 118.876 119.600 -0.038 0.000 2.175 206 M HA -0.127 4.235 4.480 -0.198 0.000 0.264 206 M C 2.495 178.451 176.300 -0.573 0.000 1.063 206 M CA 1.263 56.418 55.300 -0.241 0.000 1.119 206 M CB -0.337 32.189 32.600 -0.122 0.000 1.377 206 M HN 0.508 nan 8.290 nan 0.000 0.415 207 A N 0.167 122.561 122.820 -0.711 0.000 1.898 207 A HA -0.160 4.041 4.320 -0.198 0.000 0.216 207 A C 2.035 179.405 177.584 -0.357 0.000 1.181 207 A CA 1.279 52.787 52.037 -0.881 0.000 0.620 207 A CB -0.723 18.001 19.000 -0.459 0.000 0.819 207 A HN 0.431 nan 8.150 nan 0.000 0.442 208 L N -0.852 120.262 121.223 -0.182 0.000 2.056 208 L HA -0.091 4.131 4.340 -0.198 0.000 0.207 208 L C 2.245 179.097 176.870 -0.030 0.000 1.078 208 L CA 1.856 56.659 54.840 -0.061 0.000 0.749 208 L CB -0.495 41.567 42.059 0.005 0.000 0.901 208 L HN 0.368 nan 8.230 nan 0.000 0.433 209 L N -0.452 120.750 121.223 -0.035 0.000 2.056 209 L HA -0.205 4.016 4.340 -0.198 0.000 0.207 209 L C 2.242 179.121 176.870 0.015 0.000 1.078 209 L CA 2.070 56.922 54.840 0.020 0.000 0.749 209 L CB -1.106 40.967 42.059 0.023 0.000 0.901 209 L HN 0.512 nan 8.230 nan 0.000 0.433 210 D N -0.451 119.917 120.400 -0.053 0.000 2.104 210 D HA -0.244 4.277 4.640 -0.198 0.000 0.194 210 D C 1.901 178.262 176.300 0.102 0.000 0.994 210 D CA 1.503 55.542 54.000 0.065 0.000 0.830 210 D CB 0.308 41.142 40.800 0.055 0.000 0.959 210 D HN 0.477 nan 8.370 nan 0.000 0.452 211 A N 0.989 123.835 122.820 0.043 0.000 1.933 211 A HA 0.015 4.216 4.320 -0.198 0.000 0.218 211 A C 2.434 180.030 177.584 0.020 0.000 1.175 211 A CA 2.156 54.221 52.037 0.048 0.000 0.628 211 A CB -0.720 18.295 19.000 0.025 0.000 0.814 211 A HN 0.371 nan 8.150 nan 0.000 0.444 212 A N 0.285 123.120 122.820 0.025 0.000 1.873 212 A HA -0.182 4.019 4.320 -0.198 0.000 0.215 212 A C 1.991 179.573 177.584 -0.002 0.000 1.186 212 A CA 1.752 53.798 52.037 0.015 0.000 0.616 212 A CB -0.617 18.417 19.000 0.056 0.000 0.823 212 A HN 0.525 nan 8.150 nan 0.000 0.442 213 N N -0.075 118.666 118.700 0.069 0.000 2.058 213 N HA -0.137 4.484 4.740 -0.198 0.000 0.191 213 N C 2.041 177.629 175.510 0.131 0.000 1.037 213 N CA 2.421 55.543 53.050 0.120 0.000 0.848 213 N CB -0.849 37.770 38.487 0.220 0.000 1.021 213 N HN 0.700 nan 8.380 nan 0.000 0.422 214 T N -2.472 112.152 114.554 0.117 0.000 2.904 214 T HA 0.030 4.261 4.350 -0.198 0.000 0.267 214 T C 2.035 176.634 174.700 -0.169 0.000 1.059 214 T CA 1.185 63.258 62.100 -0.046 0.000 1.137 214 T CB -0.678 67.956 68.868 -0.390 0.000 0.879 214 T HN 0.173 nan 8.240 nan 0.000 0.467 215 G N 0.999 109.723 108.800 -0.127 0.000 2.422 215 G HA2 -0.089 3.753 3.960 -0.198 0.000 0.218 215 G HA3 -0.089 3.753 3.960 -0.198 0.000 0.218 215 G C 1.597 176.387 174.900 -0.183 0.000 1.140 215 G CA 1.253 46.279 45.100 -0.124 0.000 0.775 215 G HN 0.551 nan 8.290 nan 0.000 0.545 216 T N -0.720 113.652 114.554 -0.303 0.000 2.939 216 T HA 0.074 4.305 4.350 -0.198 0.000 0.254 216 T C 1.550 175.835 174.700 -0.691 0.000 1.041 216 T CA 0.660 62.403 62.100 -0.595 0.000 1.142 216 T CB -0.116 68.176 68.868 -0.960 0.000 0.874 216 T HN 0.427 nan 8.240 nan 0.000 0.452 217 Y N 0.777 120.997 120.300 -0.133 0.000 2.500 217 Y HA 0.483 4.912 4.550 -0.202 0.000 0.246 217 Y C 1.306 177.203 175.900 -0.006 0.000 1.146 217 Y CA -0.364 57.608 58.100 -0.213 0.000 1.230 217 Y CB 0.746 38.901 38.460 -0.507 0.000 1.214 217 Y HN 0.357 nan 8.280 nan 0.000 0.526 218 G N 0.361 109.217 108.800 0.092 0.000 2.699 218 G HA2 -0.227 3.614 3.960 -0.198 0.000 0.686 218 G HA3 -0.227 3.614 3.960 -0.198 0.000 0.686 218 G C -1.183 173.741 174.900 0.041 0.000 1.301 218 G CA -1.077 44.060 45.100 0.062 0.000 0.816 218 G HN 0.414 nan 8.290 nan 0.000 0.595 219 H N 1.482 120.578 119.070 0.044 0.000 2.803 219 H HA 0.421 4.858 4.556 -0.198 0.000 0.330 219 H C -1.680 173.553 175.328 -0.159 0.000 1.057 219 H CA -0.172 55.839 56.048 -0.062 0.000 1.458 219 H CB 0.731 30.439 29.762 -0.089 0.000 1.470 219 H HN 0.401 nan 8.280 nan 0.000 0.560 220 P HA -0.068 nan 4.420 nan 0.000 0.266 220 P C -0.603 176.596 177.300 -0.169 0.000 1.193 220 P CA 0.342 63.265 63.100 -0.295 0.000 0.770 220 P CB 0.546 32.037 31.700 -0.349 0.000 0.836 221 E N 1.614 121.718 120.200 -0.161 0.000 2.416 221 E HA 0.469 4.701 4.350 -0.198 0.000 0.273 221 E C -0.689 175.720 176.600 -0.318 0.000 0.935 221 E CA -1.081 55.196 56.400 -0.205 0.000 0.784 221 E CB 0.982 30.620 29.700 -0.103 0.000 1.301 221 E HN 0.151 nan 8.360 nan 0.000 0.454 222 I N 1.502 121.817 120.570 -0.425 0.000 2.826 222 I HA 0.008 4.059 4.170 -0.198 0.000 0.295 222 I C -0.332 175.643 176.117 -0.237 0.000 1.213 222 I CA 1.135 62.135 61.300 -0.502 0.000 1.436 222 I CB 0.155 37.894 38.000 -0.435 0.000 1.348 222 I HN 0.493 nan 8.210 nan 0.000 0.570 223 T N 5.971 120.404 114.554 -0.202 0.000 2.993 223 T HA 0.331 4.563 4.350 -0.198 0.000 0.312 223 T C -0.695 174.015 174.700 0.017 0.000 1.115 223 T CA -1.040 61.051 62.100 -0.016 0.000 1.027 223 T CB 1.625 70.590 68.868 0.162 0.000 1.116 223 T HN 0.380 nan 8.240 nan 0.000 0.464 224 K N 1.950 122.371 120.400 0.035 0.000 2.240 224 K HA 0.652 4.853 4.320 -0.198 0.000 0.271 224 K C -0.877 175.732 176.600 0.015 0.000 1.018 224 K CA -0.700 55.605 56.287 0.030 0.000 0.874 224 K CB 1.540 34.052 32.500 0.019 0.000 1.098 224 K HN 0.260 nan 8.250 nan 0.000 0.458 225 V N 3.230 123.135 119.914 -0.014 0.000 2.384 225 V HA 0.124 4.125 4.120 -0.198 0.000 0.287 225 V C -0.036 175.982 176.094 -0.127 0.000 1.020 225 V CA -1.103 61.106 62.300 -0.152 0.000 0.850 225 V CB 1.274 32.947 31.823 -0.251 0.000 0.987 225 V HN 0.700 nan 8.190 nan 0.000 0.436 226 N N 3.974 122.593 118.700 -0.135 0.000 2.483 226 N HA 0.154 4.775 4.740 -0.198 0.000 0.264 226 N C 0.669 176.152 175.510 -0.045 0.000 1.197 226 N CA -0.039 52.974 53.050 -0.062 0.000 0.927 226 N CB 0.861 39.327 38.487 -0.037 0.000 1.065 226 N HN 0.758 nan 8.380 nan 0.000 0.461 227 I N 0.006 120.577 120.570 0.003 0.000 4.018 227 I HA 0.473 4.524 4.170 -0.198 0.000 0.337 227 I C 0.936 177.097 176.117 0.073 0.000 1.327 227 I CA -0.603 60.716 61.300 0.031 0.000 1.100 227 I CB 0.140 38.142 38.000 0.003 0.000 1.025 227 I HN 0.298 nan 8.210 nan 0.000 0.396 228 G N 1.843 110.693 108.800 0.084 0.000 2.535 228 G HA2 0.530 4.371 3.960 -0.198 0.000 0.282 228 G HA3 0.530 4.371 3.960 -0.198 0.000 0.282 228 G C -0.321 174.712 174.900 0.222 0.000 1.350 228 G CA 0.196 45.366 45.100 0.116 0.000 1.039 228 G HN 0.280 nan 8.290 nan 0.000 0.509 229 V N -2.980 117.059 119.914 0.208 0.000 3.102 229 V HA 0.959 4.960 4.120 -0.198 0.000 0.312 229 V C 0.532 176.747 176.094 0.202 0.000 1.135 229 V CA -0.138 62.339 62.300 0.295 0.000 1.022 229 V CB 1.372 33.289 31.823 0.158 0.000 1.056 229 V HN 1.156 nan 8.190 nan 0.000 0.436 230 G N 0.687 109.643 108.800 0.259 0.000 2.583 230 G HA2 0.507 4.348 3.960 -0.198 0.000 0.280 230 G HA3 0.507 4.348 3.960 -0.198 0.000 0.280 230 G C 0.611 175.567 174.900 0.094 0.000 1.376 230 G CA 0.033 45.221 45.100 0.148 0.000 1.043 230 G HN 1.685 nan 8.290 nan 0.000 0.538 231 S N -1.067 114.669 115.700 0.060 0.000 2.539 231 S HA 0.211 4.562 4.470 -0.198 0.000 0.221 231 S C 0.363 174.970 174.600 0.012 0.000 0.987 231 S CA -0.553 57.660 58.200 0.021 0.000 0.929 231 S CB -0.068 63.142 63.200 0.017 0.000 0.832 231 S HN 0.355 nan 8.310 nan 0.000 0.492 232 N N 3.505 122.229 118.700 0.039 0.000 2.495 232 N HA 0.462 5.083 4.740 -0.198 0.000 0.280 232 N C -2.899 172.616 175.510 0.008 0.000 1.168 232 N CA -1.701 51.367 53.050 0.030 0.000 0.978 232 N CB 0.427 38.947 38.487 0.056 0.000 1.191 232 N HN 0.181 nan 8.380 nan 0.000 0.497 233 P HA 0.123 nan 4.420 nan 0.000 0.267 233 P C -0.215 177.092 177.300 0.013 0.000 1.200 233 P CA -0.049 63.020 63.100 -0.051 0.000 0.772 233 P CB 0.537 32.221 31.700 -0.027 0.000 0.855 234 G N 1.323 110.104 108.800 -0.031 0.000 2.642 234 G HA2 0.679 4.520 3.960 -0.198 0.000 0.293 234 G HA3 0.679 4.520 3.960 -0.198 0.000 0.293 234 G C -1.380 173.680 174.900 0.266 0.000 1.341 234 G CA -0.833 44.389 45.100 0.203 0.000 0.916 234 G HN 0.404 nan 8.290 nan 0.000 0.474 235 I N 0.295 121.047 120.570 0.304 0.000 2.474 235 I HA 0.350 4.401 4.170 -0.198 0.000 0.294 235 I C -0.959 175.148 176.117 -0.016 0.000 1.005 235 I CA -0.827 60.541 61.300 0.113 0.000 1.113 235 I CB 2.185 40.132 38.000 -0.088 0.000 1.289 235 I HN 0.237 nan 8.210 nan 0.000 0.436 236 L N 7.763 128.701 121.223 -0.475 0.000 2.265 236 L HA 0.544 4.766 4.340 -0.198 0.000 0.289 236 L C -0.714 175.882 176.870 -0.457 0.000 1.033 236 L CA -0.064 54.311 54.840 -0.774 0.000 0.814 236 L CB 1.080 42.145 42.059 -1.657 0.000 1.203 236 L HN 0.494 nan 8.230 nan 0.000 0.423 237 I N 4.108 124.519 120.570 -0.265 0.000 2.336 237 I HA 0.499 4.551 4.170 -0.198 0.000 0.292 237 I C -0.279 175.786 176.117 -0.087 0.000 0.991 237 I CA 0.164 61.337 61.300 -0.211 0.000 1.227 237 I CB 1.389 39.243 38.000 -0.243 0.000 1.366 237 I HN 0.718 nan 8.210 nan 0.000 0.466 238 S N 4.196 119.875 115.700 -0.035 0.000 2.715 238 S HA 0.970 5.321 4.470 -0.198 0.000 0.307 238 S C -0.035 174.630 174.600 0.108 0.000 1.119 238 S CA 0.368 58.649 58.200 0.136 0.000 0.937 238 S CB 1.480 64.865 63.200 0.307 0.000 1.150 238 S HN 1.266 nan 8.310 nan 0.000 0.521 239 G N 1.629 110.505 108.800 0.128 0.000 2.481 239 G HA2 -0.142 3.699 3.960 -0.198 0.000 0.230 239 G HA3 -0.142 3.699 3.960 -0.198 0.000 0.230 239 G C -0.230 174.625 174.900 -0.075 0.000 1.210 239 G CA 0.584 45.771 45.100 0.146 0.000 0.936 239 G HN 0.888 nan 8.290 nan 0.000 0.583 240 H N 0.121 119.266 119.070 0.124 0.000 3.622 240 H HA 0.319 4.846 4.556 -0.047 0.000 0.259 240 H C 0.328 175.558 175.328 -0.162 0.000 1.145 240 H CA 0.206 56.258 56.048 0.007 0.000 1.178 240 H CB 0.728 30.506 29.762 0.027 0.000 1.542 240 H HN 0.427 nan 8.280 nan 0.000 0.586 241 D N 1.893 122.321 120.400 0.048 0.000 2.338 241 D HA 0.022 4.543 4.640 -0.198 0.000 0.255 241 D C 1.004 177.274 176.300 -0.051 0.000 1.237 241 D CA 0.013 54.023 54.000 0.016 0.000 0.883 241 D CB 0.936 41.871 40.800 0.224 0.000 1.087 241 D HN 0.312 nan 8.370 nan 0.000 0.485 242 L N 3.565 124.744 121.223 -0.073 0.000 2.217 242 L HA -0.112 4.109 4.340 -0.198 0.000 0.211 242 L C 2.463 179.274 176.870 -0.100 0.000 1.107 242 L CA 0.425 55.151 54.840 -0.190 0.000 0.783 242 L CB -0.261 41.689 42.059 -0.181 0.000 0.919 242 L HN 0.296 nan 8.230 nan 0.000 0.442 243 R N 0.775 121.349 120.500 0.123 0.000 2.092 243 R HA -0.156 4.065 4.340 -0.198 0.000 0.231 243 R C 1.735 178.091 176.300 0.094 0.000 1.119 243 R CA 1.582 57.801 56.100 0.199 0.000 0.970 243 R CB -0.477 29.958 30.300 0.225 0.000 0.864 243 R HN 0.240 nan 8.270 nan 0.000 0.440 244 D N 0.164 120.598 120.400 0.057 0.000 2.117 244 D HA -0.166 4.355 4.640 -0.198 0.000 0.197 244 D C 1.807 178.037 176.300 -0.117 0.000 0.987 244 D CA 1.310 55.347 54.000 0.063 0.000 0.829 244 D CB -0.300 40.537 40.800 0.061 0.000 0.961 244 D HN 0.206 nan 8.370 nan 0.000 0.460 245 L N 1.397 122.443 121.223 -0.294 0.000 2.012 245 L HA -0.156 4.065 4.340 -0.198 0.000 0.210 245 L C 2.122 178.679 176.870 -0.522 0.000 1.073 245 L CA 1.855 56.362 54.840 -0.555 0.000 0.748 245 L CB -0.576 40.955 42.059 -0.879 0.000 0.891 245 L HN -0.004 nan 8.230 nan 0.000 0.431 246 E N -0.701 119.325 120.200 -0.289 0.000 2.070 246 E HA -0.291 3.940 4.350 -0.198 0.000 0.197 246 E C 2.157 178.717 176.600 -0.067 0.000 1.004 246 E CA 2.076 58.447 56.400 -0.049 0.000 0.805 246 E CB -0.219 29.620 29.700 0.232 0.000 0.744 246 E HN 0.593 nan 8.360 nan 0.000 0.451 247 M N 0.062 119.682 119.600 0.032 0.000 2.117 247 M HA -0.162 4.200 4.480 -0.198 0.000 0.262 247 M C 2.468 178.838 176.300 0.117 0.000 1.065 247 M CA 0.846 56.223 55.300 0.128 0.000 1.114 247 M CB -0.201 32.525 32.600 0.209 0.000 1.361 247 M HN 0.216 nan 8.290 nan 0.000 0.408 248 L N 0.646 121.823 121.223 -0.076 0.000 2.046 248 L HA -0.134 4.087 4.340 -0.198 0.000 0.208 248 L C 2.060 178.786 176.870 -0.240 0.000 1.077 248 L CA 1.745 56.388 54.840 -0.329 0.000 0.747 248 L CB -0.524 41.100 42.059 -0.725 0.000 0.896 248 L HN 0.230 nan 8.230 nan 0.000 0.432 249 L N -0.820 120.171 121.223 -0.387 0.000 2.046 249 L HA -0.228 3.993 4.340 -0.198 0.000 0.208 249 L C 2.586 179.360 176.870 -0.160 0.000 1.077 249 L CA 1.408 55.967 54.840 -0.469 0.000 0.747 249 L CB -0.515 40.831 42.059 -1.189 0.000 0.896 249 L HN 0.243 nan 8.230 nan 0.000 0.432 250 K N -0.297 120.033 120.400 -0.117 0.000 2.057 250 K HA -0.210 3.992 4.320 -0.198 0.000 0.207 250 K C 2.112 178.785 176.600 0.122 0.000 1.049 250 K CA 1.405 57.764 56.287 0.120 0.000 0.931 250 K CB -0.109 32.480 32.500 0.149 0.000 0.714 250 K HN 0.389 nan 8.250 nan 0.000 0.440 251 Q N -0.267 119.591 119.800 0.097 0.000 2.311 251 Q HA -0.068 4.153 4.340 -0.198 0.000 0.203 251 Q C 1.720 177.750 176.000 0.050 0.000 0.954 251 Q CA 1.529 57.391 55.803 0.099 0.000 0.885 251 Q CB 0.210 29.041 28.738 0.155 0.000 0.963 251 Q HN 0.435 nan 8.270 nan 0.000 0.471 252 T N -2.346 112.231 114.554 0.038 0.000 3.081 252 T HA 0.002 4.233 4.350 -0.198 0.000 0.255 252 T C 0.590 175.130 174.700 -0.267 0.000 1.113 252 T CA -0.125 61.956 62.100 -0.032 0.000 1.082 252 T CB 0.084 68.991 68.868 0.064 0.000 0.939 252 T HN -0.004 nan 8.240 nan 0.000 0.506 253 E N 1.750 121.828 120.200 -0.203 0.000 2.480 253 E HA 0.356 4.587 4.350 -0.198 0.000 0.258 253 E C 1.395 177.887 176.600 -0.179 0.000 0.984 253 E CA 0.985 57.212 56.400 -0.289 0.000 0.930 253 E CB -0.534 29.207 29.700 0.069 0.000 0.936 253 E HN 0.445 nan 8.360 nan 0.000 0.466 254 G N 3.077 111.756 108.800 -0.202 0.000 2.184 254 G HA2 -0.354 3.487 3.960 -0.198 0.000 0.264 254 G HA3 -0.354 3.487 3.960 -0.198 0.000 0.264 254 G C 0.945 175.796 174.900 -0.082 0.000 0.975 254 G CA 1.058 46.100 45.100 -0.097 0.000 0.642 254 G HN 0.820 nan 8.290 nan 0.000 0.536 255 T N -2.621 111.867 114.554 -0.111 0.000 3.057 255 T HA 0.428 4.660 4.350 -0.198 0.000 0.254 255 T C 2.462 177.136 174.700 -0.042 0.000 1.094 255 T CA 1.658 63.722 62.100 -0.060 0.000 1.088 255 T CB 0.303 69.141 68.868 -0.050 0.000 0.934 255 T HN 2.176 nan 8.240 nan 0.000 0.497 256 G N 0.720 109.489 108.800 -0.053 0.000 2.179 256 G HA2 -0.215 3.626 3.960 -0.198 0.000 0.260 256 G HA3 -0.215 3.626 3.960 -0.198 0.000 0.260 256 G C 0.020 174.924 174.900 0.006 0.000 0.977 256 G CA 0.022 45.112 45.100 -0.017 0.000 0.641 256 G HN 0.735 nan 8.290 nan 0.000 0.533 257 V N 1.642 121.557 119.914 0.002 0.000 2.394 257 V HA 0.485 4.486 4.120 -0.198 0.000 0.282 257 V C -0.016 176.141 176.094 0.104 0.000 1.031 257 V CA -0.940 61.386 62.300 0.043 0.000 0.881 257 V CB 1.641 33.479 31.823 0.025 0.000 0.982 257 V HN 0.230 nan 8.190 nan 0.000 0.451 258 D N 2.782 123.269 120.400 0.145 0.000 2.312 258 D HA 0.514 5.035 4.640 -0.198 0.000 0.248 258 D C -0.427 175.975 176.300 0.171 0.000 1.086 258 D CA -0.093 54.004 54.000 0.162 0.000 0.948 258 D CB 2.187 43.055 40.800 0.112 0.000 1.162 258 D HN 0.259 nan 8.370 nan 0.000 0.446 259 V N 1.930 121.885 119.914 0.068 0.000 2.540 259 V HA 0.334 4.335 4.120 -0.198 0.000 0.302 259 V C -0.942 175.164 176.094 0.020 0.000 1.035 259 V CA -0.679 61.670 62.300 0.081 0.000 0.873 259 V CB 0.954 32.756 31.823 -0.035 0.000 0.992 259 V HN 0.384 nan 8.190 nan 0.000 0.428 260 Y N 1.573 121.930 120.300 0.095 0.000 2.509 260 Y HA 0.665 5.094 4.550 -0.200 0.000 0.341 260 Y C 0.786 176.705 175.900 0.032 0.000 1.038 260 Y CA -0.772 57.380 58.100 0.088 0.000 1.089 260 Y CB 2.224 40.750 38.460 0.110 0.000 1.241 260 Y HN 0.718 nan 8.280 nan 0.000 0.468 261 T N -1.386 113.326 114.554 0.263 0.000 2.944 261 T HA 0.434 4.666 4.350 -0.198 0.000 0.284 261 T C -1.099 173.726 174.700 0.208 0.000 1.010 261 T CA -0.636 61.574 62.100 0.183 0.000 1.025 261 T CB 1.710 70.701 68.868 0.206 0.000 1.079 261 T HN 0.786 nan 8.240 nan 0.000 0.516 262 H N 0.255 119.349 119.070 0.040 0.000 2.865 262 H HA 0.415 4.852 4.556 -0.199 0.000 0.362 262 H C 0.543 175.896 175.328 0.041 0.000 1.114 262 H CA 0.382 56.454 56.048 0.040 0.000 1.208 262 H CB 2.047 31.841 29.762 0.053 0.000 1.727 262 H HN 0.947 nan 8.280 nan 0.000 0.534 263 S N 2.622 117.966 115.700 -0.594 0.000 4.155 263 S HA -0.275 4.077 4.470 -0.198 0.000 0.542 263 S C 1.201 175.814 174.600 0.023 0.000 1.863 263 S CA 1.804 59.766 58.200 -0.397 0.000 4.239 263 S CB -1.181 61.722 63.200 -0.495 0.000 0.331 263 S HN 0.867 nan 8.310 nan 0.000 0.461 264 E N 0.684 120.848 120.200 -0.062 0.000 2.476 264 E HA 0.109 4.340 4.350 -0.198 0.000 0.191 264 E C 1.342 177.859 176.600 -0.139 0.000 1.064 264 E CA 0.178 56.487 56.400 -0.152 0.000 0.866 264 E CB -0.068 29.269 29.700 -0.605 0.000 0.952 264 E HN 0.476 nan 8.360 nan 0.000 0.492 265 M N -0.049 119.513 119.600 -0.064 0.000 2.502 265 M HA 0.014 4.375 4.480 -0.198 0.000 0.243 265 M C 1.952 178.253 176.300 0.002 0.000 1.130 265 M CA 0.119 55.390 55.300 -0.048 0.000 1.055 265 M CB -0.635 31.937 32.600 -0.046 0.000 1.457 265 M HN 0.119 nan 8.290 nan 0.000 0.488 266 L N 2.492 123.742 121.223 0.044 0.000 2.034 266 L HA -0.129 4.092 4.340 -0.198 0.000 0.217 266 L C -0.969 175.798 176.870 -0.172 0.000 1.077 266 L CA 2.536 57.404 54.840 0.046 0.000 0.769 266 L CB -1.987 40.102 42.059 0.049 0.000 0.890 266 L HN 0.106 nan 8.230 nan 0.000 0.435 267 P HA -0.077 nan 4.420 nan 0.000 0.225 267 P C 1.512 178.733 177.300 -0.132 0.000 1.148 267 P CA 1.454 64.235 63.100 -0.532 0.000 0.779 267 P CB -0.280 31.418 31.700 -0.003 0.000 0.780 268 A N -0.443 122.383 122.820 0.009 0.000 1.986 268 A HA -0.278 3.923 4.320 -0.198 0.000 0.220 268 A C 1.808 179.564 177.584 0.287 0.000 1.171 268 A CA 1.801 53.897 52.037 0.098 0.000 0.640 268 A CB -1.830 16.981 19.000 -0.315 0.000 0.811 268 A HN 0.259 nan 8.150 nan 0.000 0.451 269 H N -2.060 117.076 119.070 0.110 0.000 2.489 269 H HA -0.140 4.295 4.556 -0.200 0.000 0.295 269 H C 1.461 176.970 175.328 0.302 0.000 1.082 269 H CA 2.019 58.156 56.048 0.148 0.000 1.295 269 H CB -0.297 29.398 29.762 -0.112 0.000 1.380 269 H HN 0.774 nan 8.280 nan 0.000 0.548 270 Y N -1.601 118.888 120.300 0.315 0.000 2.516 270 Y HA -0.049 4.382 4.550 -0.199 0.000 0.291 270 Y C 0.093 176.015 175.900 0.036 0.000 1.131 270 Y CA -0.581 57.577 58.100 0.098 0.000 1.281 270 Y CB 0.165 38.600 38.460 -0.042 0.000 1.013 270 Y HN 0.117 nan 8.280 nan 0.000 0.554 271 Y N 1.517 122.014 120.300 0.328 0.000 2.316 271 Y HA 0.146 4.573 4.550 -0.204 0.000 0.331 271 Y C -1.541 174.447 175.900 0.147 0.000 1.083 271 Y CA -2.963 55.266 58.100 0.215 0.000 1.206 271 Y CB 0.574 39.156 38.460 0.203 0.000 1.195 271 Y HN -0.118 nan 8.280 nan 0.000 0.497 272 P HA -0.240 nan 4.420 nan 0.000 0.218 272 P C 1.163 178.515 177.300 0.086 0.000 1.148 272 P CA 2.046 65.222 63.100 0.127 0.000 0.822 272 P CB 0.175 31.923 31.700 0.081 0.000 0.784 273 A N -1.111 121.712 122.820 0.005 0.000 1.933 273 A HA -0.145 4.056 4.320 -0.198 0.000 0.218 273 A C 1.941 179.492 177.584 -0.056 0.000 1.175 273 A CA 1.299 53.275 52.037 -0.102 0.000 0.628 273 A CB -1.771 17.115 19.000 -0.190 0.000 0.814 273 A HN 0.173 nan 8.150 nan 0.000 0.444 274 F N -0.153 119.912 119.950 0.193 0.000 2.661 274 F HA 0.025 4.432 4.527 -0.200 0.000 0.298 274 F C 2.034 178.020 175.800 0.310 0.000 1.137 274 F CA 0.670 58.777 58.000 0.179 0.000 1.454 274 F CB 0.080 39.036 39.000 -0.073 0.000 1.103 274 F HN 0.105 nan 8.300 nan 0.000 0.577 275 K N 0.646 121.266 120.400 0.367 0.000 2.439 275 K HA -0.081 4.120 4.320 -0.198 0.000 0.197 275 K C 1.303 178.002 176.600 0.166 0.000 1.041 275 K CA 0.695 57.147 56.287 0.275 0.000 0.970 275 K CB -0.109 32.506 32.500 0.192 0.000 0.773 275 K HN 0.284 nan 8.250 nan 0.000 0.479 276 K N 0.247 120.688 120.400 0.068 0.000 2.444 276 K HA 0.020 4.221 4.320 -0.198 0.000 0.193 276 K C -0.428 176.031 176.600 -0.236 0.000 1.024 276 K CA 0.289 56.505 56.287 -0.120 0.000 1.077 276 K CB 0.263 32.620 32.500 -0.238 0.000 0.833 276 K HN 0.098 nan 8.250 nan 0.000 0.517 277 Y N 0.100 120.449 120.300 0.082 0.000 2.385 277 Y HA 0.222 4.654 4.550 -0.197 0.000 0.341 277 Y C 1.136 177.068 175.900 0.054 0.000 0.965 277 Y CA -0.734 57.388 58.100 0.036 0.000 1.180 277 Y CB 1.360 39.719 38.460 -0.169 0.000 1.139 277 Y HN -0.042 nan 8.280 nan 0.000 0.502 278 A N 1.994 124.964 122.820 0.250 0.000 2.067 278 A HA -0.173 4.028 4.320 -0.198 0.000 0.219 278 A C 1.678 179.384 177.584 0.203 0.000 1.158 278 A CA 1.493 53.647 52.037 0.195 0.000 0.661 278 A CB -0.697 18.401 19.000 0.163 0.000 0.801 278 A HN 0.906 nan 8.150 nan 0.000 0.452 279 H N -3.193 115.965 119.070 0.146 0.000 2.533 279 H HA 0.148 4.586 4.556 -0.197 0.000 0.271 279 H C -0.243 175.151 175.328 0.112 0.000 1.000 279 H CA -0.672 55.431 56.048 0.092 0.000 1.149 279 H CB -0.566 29.238 29.762 0.070 0.000 1.375 279 H HN 0.282 nan 8.280 nan 0.000 0.582 280 F N 3.736 123.496 119.950 -0.316 0.000 2.434 280 F HA 0.247 4.653 4.527 -0.202 0.000 0.358 280 F C 0.213 175.911 175.800 -0.169 0.000 1.136 280 F CA -1.327 56.494 58.000 -0.297 0.000 1.157 280 F CB 0.503 39.349 39.000 -0.256 0.000 1.167 280 F HN -0.129 nan 8.300 nan 0.000 0.539 281 K N 3.553 123.751 120.400 -0.336 0.000 2.879 281 K HA 0.532 4.733 4.320 -0.198 0.000 0.287 281 K C 0.784 177.158 176.600 -0.377 0.000 0.988 281 K CA -0.078 55.945 56.287 -0.441 0.000 1.528 281 K CB -0.684 31.318 32.500 -0.830 0.000 2.046 281 K HN 0.612 nan 8.250 nan 0.000 0.785 282 G N 0.174 108.808 108.800 -0.277 0.000 2.606 282 G HA2 0.214 4.055 3.960 -0.198 0.000 0.262 282 G HA3 0.214 4.055 3.960 -0.198 0.000 0.262 282 G C -0.797 174.117 174.900 0.022 0.000 1.394 282 G CA -0.284 44.734 45.100 -0.137 0.000 1.044 282 G HN 0.413 nan 8.290 nan 0.000 0.553 283 N N -1.648 117.034 118.700 -0.030 0.000 2.408 283 N HA 0.405 5.026 4.740 -0.198 0.000 0.280 283 N C -1.771 173.872 175.510 0.222 0.000 1.002 283 N CA -0.579 52.543 53.050 0.120 0.000 0.907 283 N CB 1.260 39.748 38.487 0.003 0.000 1.161 283 N HN 0.393 nan 8.380 nan 0.000 0.488 284 Y N 4.198 124.582 120.300 0.138 0.000 2.331 284 Y HA 0.565 4.994 4.550 -0.201 0.000 0.338 284 Y C 0.811 176.740 175.900 0.048 0.000 0.976 284 Y CA 0.733 58.894 58.100 0.101 0.000 1.137 284 Y CB 0.606 39.122 38.460 0.094 0.000 1.172 284 Y HN 0.861 nan 8.280 nan 0.000 0.478 285 G N 4.914 113.455 108.800 -0.432 0.000 2.512 285 G HA2 -0.257 3.585 3.960 -0.198 0.000 0.240 285 G HA3 -0.257 3.585 3.960 -0.198 0.000 0.240 285 G C -0.620 174.036 174.900 -0.408 0.000 1.246 285 G CA 0.025 44.872 45.100 -0.422 0.000 0.919 285 G HN 0.724 nan 8.290 nan 0.000 0.577 286 N N -0.557 117.770 118.700 -0.620 0.000 3.567 286 N HA 0.665 5.286 4.740 -0.198 0.000 0.347 286 N C 0.605 175.230 175.510 -1.475 0.000 1.553 286 N CA 0.100 52.524 53.050 -1.045 0.000 0.636 286 N CB 0.467 38.574 38.487 -0.633 0.000 2.483 286 N HN 1.308 nan 8.380 nan 0.000 0.608 287 A N 0.686 122.792 122.820 -1.192 0.000 2.296 287 A HA 0.192 4.394 4.320 -0.198 0.000 0.264 287 A C 1.355 178.540 177.584 -0.664 0.000 1.097 287 A CA -0.494 51.087 52.037 -0.761 0.000 0.811 287 A CB -0.416 18.448 19.000 -0.227 0.000 1.072 287 A HN 0.830 nan 8.150 nan 0.000 0.495 288 W N 0.613 121.749 121.300 -0.274 0.000 2.308 288 W HA -0.249 4.318 4.660 -0.156 0.000 0.301 288 W C 1.596 178.014 176.519 -0.167 0.000 1.220 288 W CA 1.818 59.103 57.345 -0.099 0.000 1.240 288 W CB -1.117 28.377 29.460 0.057 0.000 1.142 288 W HN 0.880 nan 8.180 nan 0.000 0.521 289 W N 1.699 122.219 121.300 -1.299 0.000 2.699 289 W HA 0.126 4.660 4.660 -0.210 0.000 0.249 289 W C 1.045 177.194 176.519 -0.618 0.000 1.280 289 W CA 0.648 57.206 57.345 -1.311 0.000 1.345 289 W CB -1.203 27.145 29.460 -1.854 0.000 1.128 289 W HN -0.030 nan 8.180 nan 0.000 0.642 290 K N 1.522 121.201 120.400 -1.201 0.000 2.417 290 K HA -0.054 4.148 4.320 -0.198 0.000 0.196 290 K C 2.156 178.394 176.600 -0.602 0.000 1.023 290 K CA 0.455 56.167 56.287 -0.959 0.000 1.122 290 K CB 0.031 31.854 32.500 -1.127 0.000 0.850 290 K HN 0.355 nan 8.250 nan 0.000 0.521 291 Q N 0.710 120.150 119.800 -0.600 0.000 2.297 291 Q HA -0.101 4.120 4.340 -0.198 0.000 0.204 291 Q C 1.155 176.719 176.000 -0.725 0.000 0.962 291 Q CA 1.039 56.269 55.803 -0.955 0.000 0.879 291 Q CB -0.079 27.719 28.738 -1.566 0.000 0.947 291 Q HN 0.120 nan 8.270 nan 0.000 0.462 292 K N 0.492 120.700 120.400 -0.320 0.000 2.147 292 K HA -0.144 4.057 4.320 -0.198 0.000 0.205 292 K C 1.607 178.178 176.600 -0.049 0.000 1.049 292 K CA 1.597 57.866 56.287 -0.030 0.000 0.936 292 K CB 0.152 32.681 32.500 0.048 0.000 0.722 292 K HN 0.256 nan 8.250 nan 0.000 0.446 293 E N 0.775 120.880 120.200 -0.158 0.000 2.060 293 E HA -0.072 4.160 4.350 -0.198 0.000 0.189 293 E C 1.714 178.241 176.600 -0.122 0.000 0.974 293 E CA 0.965 57.293 56.400 -0.119 0.000 0.808 293 E CB 0.116 29.726 29.700 -0.150 0.000 0.768 293 E HN 0.269 nan 8.360 nan 0.000 0.453 294 E N -0.261 119.819 120.200 -0.199 0.000 2.158 294 E HA -0.068 4.163 4.350 -0.198 0.000 0.191 294 E C 1.535 178.211 176.600 0.126 0.000 0.982 294 E CA 0.424 56.801 56.400 -0.039 0.000 0.823 294 E CB -0.066 29.562 29.700 -0.120 0.000 0.766 294 E HN 0.166 nan 8.360 nan 0.000 0.468 295 F N 1.664 121.399 119.950 -0.358 0.000 2.171 295 F HA -0.113 4.291 4.527 -0.204 0.000 0.300 295 F C 2.328 177.851 175.800 -0.461 0.000 1.090 295 F CA 0.986 58.650 58.000 -0.560 0.000 1.293 295 F CB -0.849 37.507 39.000 -1.073 0.000 1.013 295 F HN 0.084 nan 8.300 nan 0.000 0.486 296 E N 0.583 120.662 120.200 -0.202 0.000 2.038 296 E HA -0.211 4.020 4.350 -0.198 0.000 0.195 296 E C 2.243 178.863 176.600 0.033 0.000 1.000 296 E CA 2.079 58.482 56.400 0.005 0.000 0.803 296 E CB -0.096 29.665 29.700 0.102 0.000 0.750 296 E HN 0.325 nan 8.360 nan 0.000 0.448 297 S N -0.363 115.374 115.700 0.062 0.000 2.481 297 S HA -0.126 4.225 4.470 -0.198 0.000 0.231 297 S C 1.787 176.413 174.600 0.043 0.000 0.996 297 S CA 0.458 58.705 58.200 0.078 0.000 0.942 297 S CB -0.440 62.831 63.200 0.119 0.000 0.768 297 S HN 0.407 nan 8.310 nan 0.000 0.520 298 F N 3.198 123.060 119.950 -0.146 0.000 2.234 298 F HA -0.054 4.358 4.527 -0.192 0.000 0.299 298 F C 1.257 176.833 175.800 -0.375 0.000 1.087 298 F CA 1.431 59.116 58.000 -0.526 0.000 1.340 298 F CB -0.282 38.345 39.000 -0.621 0.000 1.031 298 F HN 0.183 nan 8.300 nan 0.000 0.500 299 N N -1.277 117.278 118.700 -0.242 0.000 2.631 299 N HA -0.192 4.429 4.740 -0.198 0.000 0.218 299 N C 0.812 176.200 175.510 -0.203 0.000 0.972 299 N CA 1.359 54.274 53.050 -0.225 0.000 1.918 299 N CB -1.828 36.492 38.487 -0.278 0.000 0.895 299 N HN 0.485 nan 8.380 nan 0.000 0.540 300 G N 1.526 110.132 108.800 -0.323 0.000 2.557 300 G HA2 0.571 4.412 3.960 -0.198 0.000 0.292 300 G HA3 0.571 4.412 3.960 -0.198 0.000 0.292 300 G C -2.619 172.308 174.900 0.045 0.000 1.237 300 G CA -0.600 44.429 45.100 -0.119 0.000 0.978 300 G HN 0.058 nan 8.290 nan 0.000 0.498 301 P HA 0.293 nan 4.420 nan 0.000 0.272 301 P C -0.609 176.590 177.300 -0.169 0.000 1.223 301 P CA -0.301 62.720 63.100 -0.132 0.000 0.784 301 P CB 1.149 32.731 31.700 -0.197 0.000 0.923 302 V N 3.055 122.822 119.914 -0.244 0.000 2.540 302 V HA 0.380 4.382 4.120 -0.198 0.000 0.302 302 V C -0.326 175.604 176.094 -0.273 0.000 1.035 302 V CA -0.652 61.349 62.300 -0.499 0.000 0.873 302 V CB 1.710 32.918 31.823 -1.025 0.000 0.992 302 V HN 0.333 nan 8.190 nan 0.000 0.428 303 L N 5.866 126.920 121.223 -0.281 0.000 2.298 303 L HA 0.563 4.785 4.340 -0.198 0.000 0.284 303 L C -0.914 175.893 176.870 -0.105 0.000 1.013 303 L CA -0.125 54.631 54.840 -0.139 0.000 0.824 303 L CB 1.240 43.167 42.059 -0.220 0.000 1.221 303 L HN 0.445 nan 8.230 nan 0.000 0.418 304 L N 5.572 126.793 121.223 -0.002 0.000 2.255 304 L HA 0.308 4.529 4.340 -0.198 0.000 0.289 304 L C 1.364 178.288 176.870 0.090 0.000 1.046 304 L CA 0.099 54.984 54.840 0.074 0.000 0.816 304 L CB 1.089 43.235 42.059 0.145 0.000 1.197 304 L HN 0.888 nan 8.230 nan 0.000 0.427 305 T N -1.429 113.183 114.554 0.096 0.000 3.054 305 T HA 0.049 4.280 4.350 -0.198 0.000 0.259 305 T C 0.848 175.632 174.700 0.140 0.000 1.092 305 T CA 0.719 62.884 62.100 0.109 0.000 1.121 305 T CB 0.261 69.194 68.868 0.109 0.000 0.912 305 T HN 0.623 nan 8.240 nan 0.000 0.489 306 T N 0.033 114.705 114.554 0.197 0.000 2.645 306 T HA 0.421 4.653 4.350 -0.198 0.000 0.300 306 T C -0.938 173.908 174.700 0.244 0.000 1.210 306 T CA -1.014 61.203 62.100 0.195 0.000 1.034 306 T CB 0.835 70.000 68.868 0.496 0.000 1.537 306 T HN 0.361 nan 8.240 nan 0.000 0.492 307 N N -0.386 118.478 118.700 0.273 0.000 2.344 307 N HA 0.107 4.728 4.740 -0.198 0.000 0.236 307 N C -0.614 175.086 175.510 0.316 0.000 1.279 307 N CA -0.302 52.904 53.050 0.261 0.000 0.882 307 N CB -0.107 38.505 38.487 0.209 0.000 1.110 307 N HN 0.752 nan 8.380 nan 0.000 0.436 308 C N 1.470 120.902 119.300 0.220 0.000 2.273 308 C HA 0.430 4.771 4.460 -0.198 0.000 0.328 308 C C 0.246 175.402 174.990 0.277 0.000 1.275 308 C CA -0.845 58.237 59.018 0.107 0.000 1.704 308 C CB -0.527 27.006 27.740 -0.344 0.000 2.326 308 C HN 0.671 nan 8.230 nan 0.000 0.517 309 L N 6.537 127.948 121.223 0.313 0.000 2.296 309 L HA 0.753 4.975 4.340 -0.198 0.000 0.286 309 L C -0.006 177.079 176.870 0.359 0.000 1.023 309 L CA 0.088 55.142 54.840 0.356 0.000 0.812 309 L CB 1.260 43.538 42.059 0.365 0.000 1.223 309 L HN 0.628 nan 8.230 nan 0.000 0.421 310 V N 3.606 123.671 119.914 0.252 0.000 2.617 310 V HA 0.703 4.704 4.120 -0.198 0.000 0.298 310 V C -2.375 173.628 176.094 -0.152 0.000 1.048 310 V CA -2.273 60.113 62.300 0.143 0.000 0.964 310 V CB 0.781 32.730 31.823 0.210 0.000 1.004 310 V HN 0.783 nan 8.190 nan 0.000 0.466 311 P HA 0.160 nan 4.420 nan 0.000 0.256 311 P C -2.470 174.531 177.300 -0.498 0.000 1.173 311 P CA -0.130 62.565 63.100 -0.675 0.000 0.768 311 P CB -0.286 31.219 31.700 -0.325 0.000 0.758 312 P HA 0.142 nan 4.420 nan 0.000 0.274 312 P C -0.370 176.608 177.300 -0.537 0.000 1.231 312 P CA -0.243 62.565 63.100 -0.487 0.000 0.790 312 P CB 0.937 32.327 31.700 -0.517 0.000 0.951 313 K N 1.379 121.373 120.400 -0.677 0.000 2.355 313 K HA 0.030 4.231 4.320 -0.198 0.000 0.270 313 K C 0.915 177.189 176.600 -0.543 0.000 1.003 313 K CA -0.217 55.779 56.287 -0.485 0.000 0.957 313 K CB 0.179 32.505 32.500 -0.290 0.000 0.939 313 K HN 0.345 nan 8.250 nan 0.000 0.482 314 D N 0.795 121.028 120.400 -0.278 0.000 2.221 314 D HA -0.148 4.373 4.640 -0.198 0.000 0.204 314 D C 1.825 178.024 176.300 -0.169 0.000 0.982 314 D CA 1.418 55.301 54.000 -0.195 0.000 0.857 314 D CB -0.080 40.659 40.800 -0.101 0.000 0.934 314 D HN 0.578 nan 8.370 nan 0.000 0.475 315 S N -0.063 115.547 115.700 -0.150 0.000 2.399 315 S HA -0.217 4.134 4.470 -0.198 0.000 0.231 315 S C 1.783 176.406 174.600 0.038 0.000 1.022 315 S CA 1.163 59.346 58.200 -0.029 0.000 0.983 315 S CB -0.596 62.634 63.200 0.049 0.000 0.803 315 S HN 0.565 nan 8.310 nan 0.000 0.480 316 Y N -0.652 119.649 120.300 0.001 0.000 2.563 316 Y HA 0.558 4.988 4.550 -0.200 0.000 0.250 316 Y C 1.509 177.398 175.900 -0.019 0.000 1.126 316 Y CA -0.970 57.131 58.100 0.002 0.000 1.231 316 Y CB -0.084 38.393 38.460 0.027 0.000 1.288 316 Y HN 0.084 nan 8.280 nan 0.000 0.537 317 K N 1.418 121.647 120.400 -0.285 0.000 2.103 317 K HA -0.262 3.940 4.320 -0.198 0.000 0.207 317 K C 1.236 177.797 176.600 -0.065 0.000 1.048 317 K CA 2.218 58.382 56.287 -0.205 0.000 0.930 317 K CB -0.271 32.093 32.500 -0.227 0.000 0.716 317 K HN 0.419 nan 8.250 nan 0.000 0.444 318 D N 0.179 120.568 120.400 -0.019 0.000 2.350 318 D HA -0.114 4.407 4.640 -0.198 0.000 0.216 318 D C 1.134 177.487 176.300 0.087 0.000 0.968 318 D CA 0.738 54.751 54.000 0.022 0.000 0.894 318 D CB 0.209 41.044 40.800 0.058 0.000 0.909 318 D HN 0.374 nan 8.370 nan 0.000 0.520 319 R N -0.632 119.909 120.500 0.068 0.000 2.546 319 R HA 0.261 4.482 4.340 -0.198 0.000 0.320 319 R C -0.596 175.709 176.300 0.009 0.000 1.021 319 R CA -0.347 55.755 56.100 0.003 0.000 1.088 319 R CB 0.323 30.537 30.300 -0.143 0.000 1.278 319 R HN -0.070 nan 8.270 nan 0.000 0.557 320 V N 2.209 122.099 119.914 -0.040 0.000 2.432 320 V HA 0.265 4.267 4.120 -0.198 0.000 0.275 320 V C -0.902 175.109 176.094 -0.139 0.000 1.043 320 V CA -0.357 61.930 62.300 -0.023 0.000 0.925 320 V CB 0.413 32.256 31.823 0.033 0.000 0.985 320 V HN 0.137 nan 8.190 nan 0.000 0.466 321 Y N 2.461 122.751 120.300 -0.017 0.000 2.364 321 Y HA 0.566 4.995 4.550 -0.201 0.000 0.340 321 Y C 0.748 176.666 175.900 0.030 0.000 0.975 321 Y CA -0.783 57.332 58.100 0.026 0.000 1.089 321 Y CB 2.068 40.536 38.460 0.014 0.000 1.192 321 Y HN 0.724 nan 8.280 nan 0.000 0.454 322 T N -1.060 113.612 114.554 0.198 0.000 2.943 322 T HA 0.794 5.025 4.350 -0.198 0.000 0.284 322 T C -0.223 174.474 174.700 -0.006 0.000 1.015 322 T CA -0.603 61.607 62.100 0.183 0.000 1.042 322 T CB 2.143 71.209 68.868 0.330 0.000 1.055 322 T HN 0.631 nan 8.240 nan 0.000 0.500 323 T N -1.008 113.526 114.554 -0.034 0.000 2.762 323 T HA 0.635 4.866 4.350 -0.198 0.000 0.301 323 T C 0.635 175.331 174.700 -0.008 0.000 1.299 323 T CA 0.919 62.874 62.100 -0.242 0.000 1.005 323 T CB 0.829 69.645 68.868 -0.086 0.000 1.377 323 T HN 1.881 nan 8.240 nan 0.000 0.504 324 G N 1.514 110.310 108.800 -0.006 0.000 2.583 324 G HA2 -0.257 3.585 3.960 -0.198 0.000 0.292 324 G HA3 -0.257 3.585 3.960 -0.198 0.000 0.292 324 G C 0.632 175.580 174.900 0.081 0.000 1.203 324 G CA 0.992 46.107 45.100 0.024 0.000 0.987 324 G HN 1.647 nan 8.290 nan 0.000 0.554 325 I N -0.279 120.234 120.570 -0.094 0.000 3.812 325 I HA 0.504 4.555 4.170 -0.198 0.000 0.320 325 I C 0.976 177.061 176.117 -0.054 0.000 1.276 325 I CA -0.491 60.745 61.300 -0.108 0.000 1.164 325 I CB -0.297 37.560 38.000 -0.238 0.000 1.009 325 I HN 0.341 nan 8.210 nan 0.000 0.431 326 V N 1.999 121.937 119.914 0.040 0.000 2.686 326 V HA 0.760 4.761 4.120 -0.198 0.000 0.295 326 V C 0.846 177.057 176.094 0.194 0.000 1.055 326 V CA 0.112 62.481 62.300 0.115 0.000 1.050 326 V CB 0.580 32.494 31.823 0.150 0.000 0.984 326 V HN 0.546 nan 8.190 nan 0.000 0.482 327 G N 2.755 111.676 108.800 0.202 0.000 2.742 327 G HA2 0.655 4.496 3.960 -0.198 0.000 0.296 327 G HA3 0.655 4.496 3.960 -0.198 0.000 0.296 327 G C -1.975 173.135 174.900 0.349 0.000 1.436 327 G CA -0.424 44.793 45.100 0.196 0.000 0.928 327 G HN 0.515 nan 8.290 nan 0.000 0.520 328 F N 1.119 121.158 119.950 0.147 0.000 2.605 328 F HA 0.504 4.910 4.527 -0.203 0.000 0.320 328 F C 0.285 176.123 175.800 0.063 0.000 1.159 328 F CA -0.436 57.645 58.000 0.136 0.000 0.999 328 F CB 2.136 41.194 39.000 0.097 0.000 1.258 328 F HN 0.502 nan 8.300 nan 0.000 0.464 329 T N 4.246 118.618 114.554 -0.304 0.000 2.871 329 T HA 0.403 4.634 4.350 -0.198 0.000 0.296 329 T C 0.904 175.649 174.700 0.075 0.000 0.998 329 T CA 1.530 63.556 62.100 -0.123 0.000 1.162 329 T CB 0.368 69.104 68.868 -0.220 0.000 0.947 329 T HN 1.233 nan 8.240 nan 0.000 0.536 330 G N 2.039 110.887 108.800 0.080 0.000 2.175 330 G HA2 -0.245 3.596 3.960 -0.198 0.000 0.244 330 G HA3 -0.245 3.596 3.960 -0.198 0.000 0.244 330 G C 0.352 175.308 174.900 0.093 0.000 0.982 330 G CA -0.175 44.979 45.100 0.090 0.000 0.641 330 G HN 0.825 nan 8.290 nan 0.000 0.527 331 C N 1.926 121.310 119.300 0.140 0.000 2.319 331 C HA 0.600 4.941 4.460 -0.198 0.000 0.335 331 C C 0.947 175.964 174.990 0.045 0.000 1.274 331 C CA -1.041 58.020 59.018 0.072 0.000 1.806 331 C CB 0.895 28.717 27.740 0.135 0.000 2.329 331 C HN 0.465 nan 8.230 nan 0.000 0.524 332 K N 1.731 122.084 120.400 -0.078 0.000 2.485 332 K HA 0.115 4.316 4.320 -0.198 0.000 0.277 332 K C -0.313 176.353 176.600 0.111 0.000 0.990 332 K CA 0.617 56.877 56.287 -0.044 0.000 0.994 332 K CB 0.201 32.548 32.500 -0.255 0.000 0.906 332 K HN 0.734 nan 8.250 nan 0.000 0.488 333 H N 1.995 121.111 119.070 0.076 0.000 2.529 333 H HA 0.355 4.790 4.556 -0.201 0.000 0.348 333 H C -1.017 174.383 175.328 0.120 0.000 1.079 333 H CA -0.640 55.471 56.048 0.105 0.000 1.198 333 H CB 0.760 30.563 29.762 0.068 0.000 1.521 333 H HN 0.401 nan 8.280 nan 0.000 0.514 334 I N 7.792 128.171 120.570 -0.318 0.000 2.307 334 I HA 0.249 4.300 4.170 -0.198 0.000 0.289 334 I C -2.192 173.716 176.117 -0.348 0.000 1.021 334 I CA -2.089 59.084 61.300 -0.211 0.000 1.224 334 I CB 1.373 39.309 38.000 -0.106 0.000 1.376 334 I HN 0.448 nan 8.210 nan 0.000 0.470 335 P HA 0.212 nan 4.420 nan 0.000 0.268 335 P C -0.037 177.231 177.300 -0.052 0.000 1.205 335 P CA 0.318 63.422 63.100 0.006 0.000 0.771 335 P CB 1.029 32.763 31.700 0.056 0.000 0.858 336 G N 2.240 111.046 108.800 0.010 0.000 2.621 336 G HA2 0.124 3.965 3.960 -0.198 0.000 0.355 336 G HA3 0.124 3.965 3.960 -0.198 0.000 0.355 336 G C -0.232 174.676 174.900 0.013 0.000 1.509 336 G CA -0.377 44.719 45.100 -0.006 0.000 1.000 336 G HN 0.625 nan 8.290 nan 0.000 0.646 337 E N 1.017 121.228 120.200 0.019 0.000 2.714 337 E HA 0.278 4.509 4.350 -0.198 0.000 0.219 337 E C 1.227 177.841 176.600 0.022 0.000 0.979 337 E CA 0.204 56.613 56.400 0.014 0.000 1.092 337 E CB 0.133 29.833 29.700 0.001 0.000 1.049 337 E HN 0.994 nan 8.360 nan 0.000 0.487 338 I N -3.408 117.178 120.570 0.027 0.000 3.947 338 I HA 0.615 4.666 4.170 -0.198 0.000 0.327 338 I C 1.063 177.217 176.117 0.062 0.000 1.519 338 I CA -0.034 61.289 61.300 0.039 0.000 1.122 338 I CB 1.042 39.052 38.000 0.018 0.000 1.146 338 I HN 0.088 nan 8.210 nan 0.000 0.442 339 G N 1.575 110.415 108.800 0.068 0.000 2.184 339 G HA2 -0.290 3.551 3.960 -0.198 0.000 0.264 339 G HA3 -0.290 3.551 3.960 -0.198 0.000 0.264 339 G C 0.241 175.180 174.900 0.064 0.000 0.975 339 G CA 0.526 45.675 45.100 0.082 0.000 0.642 339 G HN 0.818 nan 8.290 nan 0.000 0.536 340 E N 0.630 120.856 120.200 0.044 0.000 2.428 340 E HA 0.168 4.400 4.350 -0.198 0.000 0.257 340 E C 0.325 176.945 176.600 0.032 0.000 1.197 340 E CA -0.268 56.160 56.400 0.047 0.000 0.974 340 E CB 0.361 30.082 29.700 0.035 0.000 0.976 340 E HN 0.528 nan 8.360 nan 0.000 0.463 341 H N 0.716 119.768 119.070 -0.029 0.000 3.034 341 H HA 0.094 4.533 4.556 -0.196 0.000 0.324 341 H C -0.676 174.571 175.328 -0.135 0.000 1.015 341 H CA 0.703 56.713 56.048 -0.063 0.000 1.429 341 H CB 0.391 30.123 29.762 -0.050 0.000 1.429 341 H HN 0.264 nan 8.280 nan 0.000 0.585 342 K N 3.901 123.806 120.400 -0.824 0.000 2.270 342 K HA 0.158 4.359 4.320 -0.198 0.000 0.255 342 K C -1.009 174.867 176.600 -1.207 0.000 0.936 342 K CA -1.071 54.687 56.287 -0.881 0.000 0.809 342 K CB 1.465 33.414 32.500 -0.918 0.000 1.131 342 K HN 0.607 nan 8.250 nan 0.000 0.427 343 D N 2.678 122.626 120.400 -0.753 0.000 2.380 343 D HA 0.125 4.646 4.640 -0.198 0.000 0.230 343 D C -0.451 175.585 176.300 -0.441 0.000 1.154 343 D CA -0.325 53.413 54.000 -0.437 0.000 0.859 343 D CB 0.211 40.930 40.800 -0.135 0.000 1.045 343 D HN 0.417 nan 8.370 nan 0.000 0.495 344 F N 1.539 121.413 119.950 -0.127 0.000 2.660 344 F HA 0.008 4.415 4.527 -0.201 0.000 0.302 344 F C 2.415 178.150 175.800 -0.107 0.000 1.103 344 F CA -0.320 57.596 58.000 -0.140 0.000 1.340 344 F CB 0.275 39.180 39.000 -0.159 0.000 1.048 344 F HN 0.339 nan 8.300 nan 0.000 0.551 345 S N 0.532 116.271 115.700 0.066 0.000 2.383 345 S HA -0.266 4.085 4.470 -0.198 0.000 0.229 345 S C 2.279 176.902 174.600 0.038 0.000 1.030 345 S CA 1.079 59.309 58.200 0.051 0.000 1.002 345 S CB -0.568 62.657 63.200 0.041 0.000 0.829 345 S HN 0.309 nan 8.310 nan 0.000 0.467 346 A N 1.945 124.788 122.820 0.038 0.000 1.930 346 A HA 0.181 4.382 4.320 -0.198 0.000 0.217 346 A C 2.248 179.843 177.584 0.019 0.000 1.175 346 A CA 1.277 53.352 52.037 0.062 0.000 0.627 346 A CB -0.742 18.333 19.000 0.126 0.000 0.815 346 A HN 0.608 nan 8.150 nan 0.000 0.443 347 I N -0.457 120.014 120.570 -0.166 0.000 2.315 347 I HA -0.216 3.835 4.170 -0.198 0.000 0.248 347 I C 2.205 178.241 176.117 -0.135 0.000 1.117 347 I CA 1.091 62.150 61.300 -0.401 0.000 1.404 347 I CB -0.406 37.212 38.000 -0.637 0.000 1.071 347 I HN 0.276 nan 8.210 nan 0.000 0.419 348 I N 1.152 121.686 120.570 -0.059 0.000 2.252 348 I HA -0.254 3.797 4.170 -0.198 0.000 0.245 348 I C 2.875 179.005 176.117 0.023 0.000 1.102 348 I CA 1.331 62.620 61.300 -0.018 0.000 1.385 348 I CB -0.441 37.560 38.000 0.002 0.000 1.064 348 I HN 0.162 nan 8.210 nan 0.000 0.414 349 A N -0.184 122.661 122.820 0.043 0.000 1.902 349 A HA -0.300 3.901 4.320 -0.198 0.000 0.217 349 A C 2.211 179.860 177.584 0.109 0.000 1.181 349 A CA 1.919 53.991 52.037 0.058 0.000 0.623 349 A CB -1.188 17.840 19.000 0.048 0.000 0.818 349 A HN 0.532 nan 8.150 nan 0.000 0.443 350 H N -0.691 118.391 119.070 0.020 0.000 2.352 350 H HA -0.068 4.369 4.556 -0.197 0.000 0.299 350 H C 2.325 177.668 175.328 0.026 0.000 1.097 350 H CA 1.084 57.163 56.048 0.051 0.000 1.311 350 H CB -0.003 29.831 29.762 0.120 0.000 1.377 350 H HN 0.486 nan 8.280 nan 0.000 0.504 351 A N 1.056 123.946 122.820 0.116 0.000 1.940 351 A HA -0.183 4.018 4.320 -0.198 0.000 0.219 351 A C 2.181 179.786 177.584 0.034 0.000 1.176 351 A CA 1.680 53.732 52.037 0.024 0.000 0.631 351 A CB -0.321 18.675 19.000 -0.006 0.000 0.814 351 A HN 0.443 nan 8.150 nan 0.000 0.446 352 K N -0.461 119.967 120.400 0.047 0.000 2.280 352 K HA -0.097 4.105 4.320 -0.198 0.000 0.202 352 K C 1.797 178.418 176.600 0.035 0.000 1.047 352 K CA 1.556 57.861 56.287 0.030 0.000 0.942 352 K CB -0.279 32.237 32.500 0.026 0.000 0.739 352 K HN 0.740 nan 8.250 nan 0.000 0.457 353 T N -2.199 112.397 114.554 0.069 0.000 3.129 353 T HA 0.086 4.317 4.350 -0.198 0.000 0.251 353 T C 0.839 175.574 174.700 0.058 0.000 1.117 353 T CA -0.310 61.829 62.100 0.065 0.000 1.034 353 T CB -0.361 68.556 68.868 0.083 0.000 0.968 353 T HN -0.006 nan 8.240 nan 0.000 0.526 354 C N 2.553 121.876 119.300 0.039 0.000 2.365 354 C HA 0.663 5.005 4.460 -0.198 0.000 0.349 354 C C -2.095 172.859 174.990 -0.060 0.000 1.191 354 C CA -1.655 57.357 59.018 -0.009 0.000 2.114 354 C CB 1.151 28.864 27.740 -0.046 0.000 2.367 354 C HN 0.356 nan 8.230 nan 0.000 0.530 355 P HA 0.285 nan 4.420 nan 0.000 0.270 355 P C -0.421 176.764 177.300 -0.193 0.000 1.223 355 P CA 0.057 63.091 63.100 -0.111 0.000 0.785 355 P CB 0.321 31.960 31.700 -0.101 0.000 0.923 356 A N 3.455 126.168 122.820 -0.177 0.000 2.429 356 A HA 0.342 4.543 4.320 -0.198 0.000 0.242 356 A C -2.088 175.267 177.584 -0.381 0.000 1.088 356 A CA -0.869 51.020 52.037 -0.246 0.000 0.784 356 A CB -1.513 17.406 19.000 -0.136 0.000 1.038 356 A HN 0.419 nan 8.150 nan 0.000 0.501 357 P HA 0.180 nan 4.420 nan 0.000 0.269 357 P C -0.399 176.717 177.300 -0.305 0.000 1.209 357 P CA 0.212 62.875 63.100 -0.728 0.000 0.776 357 P CB 0.369 31.404 31.700 -1.108 0.000 0.876 358 T N 2.208 116.654 114.554 -0.180 0.000 2.749 358 T HA 0.121 4.352 4.350 -0.198 0.000 0.295 358 T C 0.170 174.935 174.700 0.107 0.000 0.936 358 T CA -0.311 61.775 62.100 -0.025 0.000 1.060 358 T CB -0.005 68.858 68.868 -0.008 0.000 0.904 358 T HN 0.390 nan 8.240 nan 0.000 0.500 359 E N 2.713 122.957 120.200 0.073 0.000 2.376 359 E HA 0.102 4.333 4.350 -0.198 0.000 0.266 359 E C 0.976 177.595 176.600 0.033 0.000 1.009 359 E CA -0.143 56.314 56.400 0.094 0.000 0.902 359 E CB 0.353 30.084 29.700 0.053 0.000 0.972 359 E HN 0.716 nan 8.360 nan 0.000 0.439 360 I N 0.908 121.454 120.570 -0.041 0.000 4.187 360 I HA 0.281 4.332 4.170 -0.198 0.000 0.326 360 I C 0.270 176.325 176.117 -0.103 0.000 1.302 360 I CA -0.246 60.987 61.300 -0.112 0.000 1.196 360 I CB 0.067 37.932 38.000 -0.226 0.000 1.095 360 I HN 0.414 nan 8.210 nan 0.000 0.411 361 E N 1.682 121.831 120.200 -0.086 0.000 2.429 361 E HA 0.544 4.776 4.350 -0.198 0.000 0.280 361 E C -1.238 175.351 176.600 -0.019 0.000 1.068 361 E CA -0.803 55.565 56.400 -0.053 0.000 0.837 361 E CB 1.663 31.322 29.700 -0.068 0.000 1.357 361 E HN 0.152 nan 8.360 nan 0.000 0.455 362 S N -0.601 115.095 115.700 -0.007 0.000 2.740 362 S HA 0.940 5.291 4.470 -0.198 0.000 0.300 362 S C 0.593 175.197 174.600 0.007 0.000 1.147 362 S CA -0.031 58.175 58.200 0.009 0.000 0.871 362 S CB 1.498 64.707 63.200 0.014 0.000 1.173 362 S HN 1.694 nan 8.310 nan 0.000 0.510 363 G N 0.367 109.175 108.800 0.012 0.000 2.451 363 G HA2 0.145 3.986 3.960 -0.198 0.000 0.208 363 G HA3 0.145 3.986 3.960 -0.198 0.000 0.208 363 G C -1.392 173.512 174.900 0.007 0.000 1.248 363 G CA -0.239 44.867 45.100 0.010 0.000 0.989 363 G HN 1.000 nan 8.290 nan 0.000 0.559 364 E N -0.801 119.404 120.200 0.008 0.000 2.408 364 E HA 0.654 4.886 4.350 -0.198 0.000 0.275 364 E C -0.183 176.426 176.600 0.015 0.000 0.935 364 E CA -0.606 55.797 56.400 0.005 0.000 0.775 364 E CB 2.477 32.181 29.700 0.007 0.000 1.277 364 E HN 0.990 nan 8.360 nan 0.000 0.455 365 I N -1.628 118.953 120.570 0.018 0.000 2.892 365 I HA 0.639 4.690 4.170 -0.198 0.000 0.306 365 I C -0.925 175.229 176.117 0.062 0.000 1.078 365 I CA -1.181 60.144 61.300 0.041 0.000 1.032 365 I CB 1.564 39.589 38.000 0.041 0.000 1.229 365 I HN 0.429 nan 8.210 nan 0.000 0.435 366 I N 2.571 123.188 120.570 0.079 0.000 2.493 366 I HA 0.826 4.878 4.170 -0.198 0.000 0.298 366 I C 0.425 176.591 176.117 0.081 0.000 0.998 366 I CA -0.243 61.107 61.300 0.083 0.000 1.137 366 I CB 1.852 39.917 38.000 0.109 0.000 1.310 366 I HN 0.941 nan 8.210 nan 0.000 0.445 367 G N 1.896 110.626 108.800 -0.118 0.000 2.634 367 G HA2 0.553 4.394 3.960 -0.198 0.000 0.309 367 G HA3 0.553 4.394 3.960 -0.198 0.000 0.309 367 G C -0.074 174.132 174.900 -1.156 0.000 1.299 367 G CA -0.160 44.641 45.100 -0.497 0.000 0.798 367 G HN 1.005 nan 8.290 nan 0.000 0.490 368 G N -1.715 106.192 108.800 -1.488 0.000 2.141 368 G HA2 -0.131 3.711 3.960 -0.198 0.000 0.164 368 G HA3 -0.131 3.711 3.960 -0.198 0.000 0.164 368 G C 0.079 174.606 174.900 -0.621 0.000 1.009 368 G CA 0.162 44.653 45.100 -1.015 0.000 0.677 368 G HN 0.832 nan 8.290 nan 0.000 0.508 369 F N 2.038 121.840 119.950 -0.247 0.000 2.752 369 F HA 0.643 5.049 4.527 -0.202 0.000 0.332 369 F C 1.384 177.151 175.800 -0.056 0.000 1.188 369 F CA 0.123 58.054 58.000 -0.115 0.000 1.296 369 F CB 0.096 39.051 39.000 -0.075 0.000 1.526 369 F HN 0.405 nan 8.300 nan 0.000 0.576 370 A N -0.138 122.692 122.820 0.016 0.000 2.275 370 A HA 0.253 4.454 4.320 -0.198 0.000 0.282 370 A C 1.419 179.008 177.584 0.008 0.000 1.275 370 A CA 0.026 52.084 52.037 0.035 0.000 0.842 370 A CB 0.041 19.031 19.000 -0.017 0.000 1.280 370 A HN 0.699 nan 8.150 nan 0.000 0.508 371 H N -1.209 117.903 119.070 0.069 0.000 2.357 371 H HA -0.106 4.329 4.556 -0.202 0.000 0.301 371 H C 1.585 176.903 175.328 -0.017 0.000 1.082 371 H CA 1.921 57.981 56.048 0.020 0.000 1.342 371 H CB -0.419 29.345 29.762 0.003 0.000 1.389 371 H HN 0.669 nan 8.280 nan 0.000 0.511 372 N N -0.035 118.473 118.700 -0.320 0.000 2.120 372 N HA -0.236 4.385 4.740 -0.198 0.000 0.188 372 N C 2.099 177.523 175.510 -0.144 0.000 1.024 372 N CA 1.414 54.307 53.050 -0.262 0.000 0.852 372 N CB -0.129 37.985 38.487 -0.622 0.000 1.003 372 N HN 0.442 nan 8.380 nan 0.000 0.424 373 Q N -0.056 119.667 119.800 -0.128 0.000 2.079 373 Q HA -0.013 4.208 4.340 -0.198 0.000 0.200 373 Q C 1.788 177.787 176.000 -0.002 0.000 0.974 373 Q CA 1.482 57.228 55.803 -0.096 0.000 0.840 373 Q CB -0.363 28.266 28.738 -0.181 0.000 0.898 373 Q HN 0.275 nan 8.270 nan 0.000 0.430 374 V N 0.136 120.083 119.914 0.055 0.000 2.453 374 V HA -0.176 3.826 4.120 -0.198 0.000 0.247 374 V C 2.043 178.165 176.094 0.046 0.000 1.048 374 V CA 1.128 63.490 62.300 0.104 0.000 1.049 374 V CB -0.459 31.429 31.823 0.110 0.000 0.672 374 V HN 0.284 nan 8.190 nan 0.000 0.457 375 L N 0.569 121.806 121.223 0.023 0.000 2.131 375 L HA -0.062 4.159 4.340 -0.198 0.000 0.210 375 L C 2.540 179.405 176.870 -0.008 0.000 1.092 375 L CA 1.989 56.831 54.840 0.003 0.000 0.759 375 L CB -1.057 41.006 42.059 0.007 0.000 0.903 375 L HN 0.293 nan 8.230 nan 0.000 0.435 376 A N -1.058 121.754 122.820 -0.014 0.000 2.015 376 A HA -0.072 4.129 4.320 -0.198 0.000 0.219 376 A C 2.003 179.589 177.584 0.004 0.000 1.163 376 A CA 1.212 53.239 52.037 -0.016 0.000 0.646 376 A CB -0.535 18.446 19.000 -0.032 0.000 0.806 376 A HN 0.408 nan 8.150 nan 0.000 0.448 377 L N -1.115 120.125 121.223 0.027 0.000 2.667 377 L HA 0.201 4.423 4.340 -0.198 0.000 0.232 377 L C 2.436 179.329 176.870 0.037 0.000 1.138 377 L CA 0.292 55.160 54.840 0.047 0.000 0.921 377 L CB -0.095 42.023 42.059 0.097 0.000 1.180 377 L HN 0.354 nan 8.230 nan 0.000 0.487 378 A N 0.440 123.268 122.820 0.014 0.000 1.908 378 A HA -0.228 3.974 4.320 -0.198 0.000 0.218 378 A C 1.875 179.452 177.584 -0.012 0.000 1.181 378 A CA 1.971 54.006 52.037 -0.004 0.000 0.627 378 A CB -0.301 18.680 19.000 -0.031 0.000 0.818 378 A HN 0.325 nan 8.150 nan 0.000 0.445 379 D N -0.105 120.285 120.400 -0.016 0.000 2.123 379 D HA -0.128 4.394 4.640 -0.198 0.000 0.196 379 D C 1.861 178.164 176.300 0.006 0.000 0.992 379 D CA 1.223 55.211 54.000 -0.020 0.000 0.833 379 D CB -0.137 40.653 40.800 -0.017 0.000 0.954 379 D HN 0.255 nan 8.370 nan 0.000 0.455 380 K N 0.444 120.858 120.400 0.023 0.000 2.103 380 K HA 0.007 4.208 4.320 -0.198 0.000 0.204 380 K C 2.284 178.921 176.600 0.062 0.000 1.052 380 K CA 0.174 56.484 56.287 0.038 0.000 0.945 380 K CB -0.714 31.810 32.500 0.040 0.000 0.722 380 K HN 0.116 nan 8.250 nan 0.000 0.443 381 V N 1.810 121.772 119.914 0.080 0.000 2.295 381 V HA -0.210 3.791 4.120 -0.198 0.000 0.246 381 V C 2.351 178.548 176.094 0.173 0.000 1.049 381 V CA 1.468 63.854 62.300 0.143 0.000 1.024 381 V CB -0.416 31.503 31.823 0.159 0.000 0.648 381 V HN 0.145 nan 8.190 nan 0.000 0.447 382 I N 0.153 120.786 120.570 0.105 0.000 2.226 382 I HA -0.240 3.811 4.170 -0.198 0.000 0.245 382 I C 2.257 178.459 176.117 0.142 0.000 1.100 382 I CA 1.618 62.977 61.300 0.098 0.000 1.374 382 I CB -0.495 37.425 38.000 -0.135 0.000 1.057 382 I HN 0.305 nan 8.210 nan 0.000 0.413 383 D N 0.956 121.404 120.400 0.079 0.000 2.144 383 D HA -0.145 4.377 4.640 -0.198 0.000 0.199 383 D C 2.258 178.605 176.300 0.078 0.000 0.984 383 D CA 1.555 55.597 54.000 0.070 0.000 0.834 383 D CB -0.187 40.637 40.800 0.040 0.000 0.955 383 D HN 0.364 nan 8.370 nan 0.000 0.465 384 A N 0.412 123.278 122.820 0.078 0.000 1.930 384 A HA -0.096 4.105 4.320 -0.198 0.000 0.217 384 A C 2.482 180.097 177.584 0.052 0.000 1.175 384 A CA 0.947 53.013 52.037 0.049 0.000 0.627 384 A CB -0.536 18.485 19.000 0.034 0.000 0.815 384 A HN 0.143 nan 8.150 nan 0.000 0.443 385 V N 0.103 120.092 119.914 0.125 0.000 2.358 385 V HA -0.240 3.761 4.120 -0.198 0.000 0.246 385 V C 2.395 178.551 176.094 0.103 0.000 1.047 385 V CA 2.261 64.636 62.300 0.125 0.000 1.035 385 V CB -0.637 31.366 31.823 0.299 0.000 0.658 385 V HN 0.528 nan 8.190 nan 0.000 0.452 386 K N 0.872 121.373 120.400 0.168 0.000 2.097 386 K HA -0.136 4.066 4.320 -0.198 0.000 0.206 386 K C 2.262 178.899 176.600 0.061 0.000 1.049 386 K CA 1.710 58.075 56.287 0.131 0.000 0.933 386 K CB -0.291 32.307 32.500 0.163 0.000 0.717 386 K HN 0.617 nan 8.250 nan 0.000 0.442 387 S N -0.794 114.934 115.700 0.046 0.000 2.527 387 S HA 0.068 4.419 4.470 -0.198 0.000 0.222 387 S C 1.462 176.062 174.600 -0.000 0.000 0.985 387 S CA 0.583 58.795 58.200 0.020 0.000 0.921 387 S CB 0.277 63.486 63.200 0.016 0.000 0.772 387 S HN 0.445 nan 8.310 nan 0.000 0.529 388 G N 0.597 109.392 108.800 -0.008 0.000 2.176 388 G HA2 -0.258 3.583 3.960 -0.198 0.000 0.253 388 G HA3 -0.258 3.583 3.960 -0.198 0.000 0.253 388 G C 1.038 175.907 174.900 -0.052 0.000 0.979 388 G CA 0.292 45.372 45.100 -0.033 0.000 0.641 388 G HN 1.185 nan 8.290 nan 0.000 0.530 389 A N -0.404 122.390 122.820 -0.044 0.000 1.902 389 A HA 0.364 4.566 4.320 -0.198 0.000 0.217 389 A C 1.288 178.813 177.584 -0.099 0.000 1.181 389 A CA 1.477 53.479 52.037 -0.058 0.000 0.623 389 A CB -0.095 18.882 19.000 -0.039 0.000 0.818 389 A HN 0.889 nan 8.150 nan 0.000 0.443 390 I N -0.027 120.469 120.570 -0.123 0.000 2.307 390 I HA 0.176 4.227 4.170 -0.198 0.000 0.289 390 I C 0.654 176.639 176.117 -0.221 0.000 1.021 390 I CA -0.564 60.596 61.300 -0.234 0.000 1.224 390 I CB 1.642 39.424 38.000 -0.363 0.000 1.376 390 I HN 0.054 nan 8.210 nan 0.000 0.470 391 K N 3.845 124.124 120.400 -0.203 0.000 2.211 391 K HA 0.173 4.374 4.320 -0.198 0.000 0.201 391 K C 0.338 176.861 176.600 -0.128 0.000 1.052 391 K CA 0.672 56.876 56.287 -0.139 0.000 0.973 391 K CB 0.156 32.588 32.500 -0.113 0.000 0.766 391 K HN 0.352 nan 8.250 nan 0.000 0.466 392 K N -0.579 119.699 120.400 -0.203 0.000 2.562 392 K HA 0.330 4.531 4.320 -0.198 0.000 0.267 392 K C -1.671 174.762 176.600 -0.278 0.000 0.938 392 K CA -0.378 55.849 56.287 -0.100 0.000 0.840 392 K CB 1.022 33.632 32.500 0.184 0.000 1.390 392 K HN -0.232 nan 8.250 nan 0.000 0.428 393 F N 1.666 121.640 119.950 0.040 0.000 2.422 393 F HA 0.576 4.984 4.527 -0.197 0.000 0.333 393 F C -0.168 175.637 175.800 0.009 0.000 1.095 393 F CA -0.831 57.172 58.000 0.005 0.000 1.038 393 F CB 1.661 40.638 39.000 -0.038 0.000 1.156 393 F HN -0.023 nan 8.300 nan 0.000 0.483 394 V N 3.572 123.609 119.914 0.204 0.000 2.376 394 V HA 0.278 4.280 4.120 -0.198 0.000 0.287 394 V C -0.469 175.670 176.094 0.076 0.000 1.015 394 V CA -0.916 61.473 62.300 0.150 0.000 0.834 394 V CB 1.416 33.419 31.823 0.301 0.000 1.001 394 V HN 0.501 nan 8.190 nan 0.000 0.428 395 V N 6.874 126.765 119.914 -0.038 0.000 2.415 395 V HA 0.241 4.242 4.120 -0.198 0.000 0.267 395 V C 0.755 176.917 176.094 0.114 0.000 1.042 395 V CA 0.379 62.692 62.300 0.022 0.000 1.000 395 V CB 0.894 32.704 31.823 -0.021 0.000 1.015 395 V HN 0.900 nan 8.190 nan 0.000 0.478 396 M N 4.004 123.686 119.600 0.137 0.000 2.589 396 M HA 0.348 4.710 4.480 -0.198 0.000 0.344 396 M C 0.788 177.243 176.300 0.260 0.000 1.168 396 M CA -0.185 55.222 55.300 0.178 0.000 0.956 396 M CB 0.766 33.388 32.600 0.037 0.000 1.370 396 M HN 0.687 nan 8.290 nan 0.000 0.518 397 A N 0.703 123.660 122.820 0.228 0.000 2.409 397 A HA 0.701 4.902 4.320 -0.198 0.000 0.246 397 A C 0.897 178.606 177.584 0.207 0.000 1.099 397 A CA 0.886 53.058 52.037 0.227 0.000 0.789 397 A CB -0.093 19.035 19.000 0.213 0.000 1.053 397 A HN 0.636 nan 8.150 nan 0.000 0.503 398 G N -2.036 106.895 108.800 0.217 0.000 2.265 398 G HA2 0.264 4.105 3.960 -0.198 0.000 0.246 398 G HA3 0.264 4.105 3.960 -0.198 0.000 0.246 398 G C -0.730 174.319 174.900 0.247 0.000 1.299 398 G CA -0.258 44.983 45.100 0.234 0.000 1.117 398 G HN 1.571 nan 8.290 nan 0.000 0.485 399 C N 0.320 119.778 119.300 0.264 0.000 2.455 399 C HA 0.756 5.097 4.460 -0.198 0.000 0.320 399 C C 0.214 175.364 174.990 0.266 0.000 1.226 399 C CA -0.515 58.692 59.018 0.314 0.000 1.569 399 C CB 1.144 29.112 27.740 0.380 0.000 2.200 399 C HN 0.860 nan 8.230 nan 0.000 0.491 400 D N 0.156 120.743 120.400 0.311 0.000 2.433 400 D HA 0.697 5.218 4.640 -0.198 0.000 0.255 400 D C 0.369 176.760 176.300 0.152 0.000 1.226 400 D CA 0.602 54.721 54.000 0.197 0.000 1.015 400 D CB 1.329 42.278 40.800 0.249 0.000 1.091 400 D HN 0.891 nan 8.370 nan 0.000 0.527 401 G N -0.848 107.787 108.800 -0.274 0.000 2.548 401 G HA2 0.227 4.069 3.960 -0.198 0.000 0.301 401 G HA3 0.227 4.069 3.960 -0.198 0.000 0.301 401 G C 0.121 174.145 174.900 -1.461 0.000 1.349 401 G CA -0.576 44.129 45.100 -0.657 0.000 0.792 401 G HN 0.384 nan 8.290 nan 0.000 0.481 402 R N -0.168 119.639 120.500 -1.155 0.000 2.115 402 R HA 0.242 4.463 4.340 -0.198 0.000 0.226 402 R C 1.582 177.374 176.300 -0.847 0.000 1.100 402 R CA 0.805 56.172 56.100 -1.222 0.000 0.980 402 R CB -0.226 29.767 30.300 -0.511 0.000 0.875 402 R HN 0.595 nan 8.270 nan 0.000 0.445 403 A N 2.122 124.641 122.820 -0.501 0.000 2.566 403 A HA -0.106 4.095 4.320 -0.198 0.000 0.245 403 A C 1.169 178.602 177.584 -0.251 0.000 1.056 403 A CA 0.238 52.110 52.037 -0.275 0.000 0.757 403 A CB 0.188 19.093 19.000 -0.158 0.000 0.979 403 A HN 0.307 nan 8.150 nan 0.000 0.508 404 K N 2.222 122.522 120.400 -0.166 0.000 2.113 404 K HA -0.203 3.998 4.320 -0.198 0.000 0.208 404 K C 2.011 178.585 176.600 -0.044 0.000 1.047 404 K CA 2.037 58.265 56.287 -0.098 0.000 0.928 404 K CB -0.180 32.286 32.500 -0.056 0.000 0.716 404 K HN 0.913 nan 8.250 nan 0.000 0.446 405 S N 0.352 116.031 115.700 -0.035 0.000 2.440 405 S HA -0.127 4.224 4.470 -0.198 0.000 0.238 405 S C 1.634 176.267 174.600 0.054 0.000 1.010 405 S CA 0.813 59.014 58.200 0.003 0.000 0.972 405 S CB -0.326 62.864 63.200 -0.016 0.000 0.774 405 S HN 0.373 nan 8.310 nan 0.000 0.501 406 R N 1.708 122.248 120.500 0.066 0.000 2.316 406 R HA 0.030 4.251 4.340 -0.198 0.000 0.202 406 R C 2.468 178.921 176.300 0.255 0.000 1.029 406 R CA 0.871 57.111 56.100 0.233 0.000 1.018 406 R CB -0.504 29.889 30.300 0.154 0.000 0.888 406 R HN 0.750 nan 8.270 nan 0.000 0.471 407 S N 0.256 116.042 115.700 0.143 0.000 2.420 407 S HA -0.300 4.051 4.470 -0.198 0.000 0.237 407 S C 1.784 176.472 174.600 0.148 0.000 1.023 407 S CA 1.137 59.420 58.200 0.138 0.000 0.991 407 S CB -0.595 62.655 63.200 0.083 0.000 0.792 407 S HN 0.542 nan 8.310 nan 0.000 0.488 408 Y N 1.792 122.075 120.300 -0.028 0.000 2.096 408 Y HA -0.344 4.086 4.550 -0.199 0.000 0.278 408 Y C 2.010 177.851 175.900 -0.099 0.000 1.192 408 Y CA 2.052 60.070 58.100 -0.137 0.000 1.143 408 Y CB -0.749 37.499 38.460 -0.352 0.000 0.963 408 Y HN 0.303 nan 8.280 nan 0.000 0.505 409 Y N -0.526 119.969 120.300 0.325 0.000 2.242 409 Y HA -0.195 4.243 4.550 -0.186 0.000 0.291 409 Y C 2.633 178.699 175.900 0.278 0.000 1.137 409 Y CA 1.628 59.908 58.100 0.301 0.000 1.181 409 Y CB -0.769 37.935 38.460 0.407 0.000 0.989 409 Y HN 0.072 nan 8.280 nan 0.000 0.527 410 T N -0.348 114.421 114.554 0.359 0.000 2.708 410 T HA -0.169 4.063 4.350 -0.198 0.000 0.266 410 T C 1.208 175.995 174.700 0.144 0.000 1.037 410 T CA 1.734 63.994 62.100 0.267 0.000 1.146 410 T CB -0.356 68.631 68.868 0.197 0.000 0.865 410 T HN 0.289 nan 8.240 nan 0.000 0.435 411 D N 0.307 120.742 120.400 0.059 0.000 2.144 411 D HA 0.013 4.534 4.640 -0.198 0.000 0.200 411 D C 1.670 177.923 176.300 -0.078 0.000 0.978 411 D CA 0.505 54.491 54.000 -0.024 0.000 0.833 411 D CB -0.460 40.307 40.800 -0.055 0.000 0.961 411 D HN 0.328 nan 8.370 nan 0.000 0.470 412 F N 1.754 121.524 119.950 -0.301 0.000 2.102 412 F HA -0.169 4.242 4.527 -0.194 0.000 0.298 412 F C 2.257 177.968 175.800 -0.148 0.000 1.105 412 F CA 1.650 59.457 58.000 -0.323 0.000 1.239 412 F CB -0.142 38.541 39.000 -0.528 0.000 0.991 412 F HN -0.055 nan 8.300 nan 0.000 0.474 413 A N 0.044 122.952 122.820 0.147 0.000 1.883 413 A HA -0.234 3.967 4.320 -0.198 0.000 0.217 413 A C 2.124 179.681 177.584 -0.046 0.000 1.186 413 A CA 1.996 54.057 52.037 0.040 0.000 0.624 413 A CB -0.977 18.071 19.000 0.080 0.000 0.822 413 A HN 0.559 nan 8.150 nan 0.000 0.444 414 E N -1.083 119.104 120.200 -0.021 0.000 2.153 414 E HA -0.118 4.113 4.350 -0.198 0.000 0.194 414 E C 1.929 178.460 176.600 -0.115 0.000 0.988 414 E CA 0.798 57.170 56.400 -0.046 0.000 0.811 414 E CB -0.260 29.428 29.700 -0.019 0.000 0.746 414 E HN 0.627 nan 8.360 nan 0.000 0.466 415 G N 0.530 109.221 108.800 -0.183 0.000 2.880 415 G HA2 0.036 3.877 3.960 -0.198 0.000 0.209 415 G HA3 0.036 3.877 3.960 -0.198 0.000 0.209 415 G C 0.659 175.364 174.900 -0.324 0.000 1.157 415 G CA -0.309 44.647 45.100 -0.240 0.000 0.779 415 G HN 0.010 nan 8.290 nan 0.000 0.539 416 L N 1.612 122.617 121.223 -0.364 0.000 2.514 416 L HA 0.167 4.388 4.340 -0.198 0.000 0.280 416 L C -1.719 174.969 176.870 -0.303 0.000 1.223 416 L CA -1.462 53.137 54.840 -0.401 0.000 0.864 416 L CB 0.655 42.530 42.059 -0.307 0.000 1.118 416 L HN -0.002 nan 8.230 nan 0.000 0.494 417 P HA 0.019 nan 4.420 nan 0.000 0.269 417 P C -0.339 176.838 177.300 -0.204 0.000 1.215 417 P CA -0.117 62.829 63.100 -0.257 0.000 0.780 417 P CB 0.425 31.951 31.700 -0.290 0.000 0.898 418 K N 1.008 121.314 120.400 -0.157 0.000 2.551 418 K HA -0.042 4.160 4.320 -0.198 0.000 0.192 418 K C 0.195 176.718 176.600 -0.127 0.000 1.027 418 K CA 0.684 56.895 56.287 -0.126 0.000 1.059 418 K CB -0.255 32.186 32.500 -0.098 0.000 0.831 418 K HN 0.539 nan 8.250 nan 0.000 0.508 419 D N 0.039 120.349 120.400 -0.150 0.000 2.388 419 D HA -0.046 4.475 4.640 -0.198 0.000 0.221 419 D C 0.159 176.346 176.300 -0.188 0.000 1.133 419 D CA -0.212 53.697 54.000 -0.152 0.000 0.831 419 D CB 0.069 40.786 40.800 -0.139 0.000 0.962 419 D HN -0.046 nan 8.370 nan 0.000 0.502 420 T N -2.691 111.750 114.554 -0.187 0.000 2.912 420 T HA 0.681 4.912 4.350 -0.198 0.000 0.288 420 T C -0.352 174.251 174.700 -0.161 0.000 1.030 420 T CA -0.874 61.113 62.100 -0.187 0.000 1.020 420 T CB 2.127 70.905 68.868 -0.149 0.000 1.056 420 T HN -0.125 nan 8.240 nan 0.000 0.480 421 V N 2.715 122.527 119.914 -0.169 0.000 2.540 421 V HA 0.454 4.455 4.120 -0.198 0.000 0.302 421 V C -0.124 175.992 176.094 0.037 0.000 1.035 421 V CA -0.983 61.270 62.300 -0.078 0.000 0.873 421 V CB 1.543 33.318 31.823 -0.079 0.000 0.992 421 V HN 0.879 nan 8.190 nan 0.000 0.428 422 I N 5.514 126.094 120.570 0.017 0.000 2.395 422 I HA 0.346 4.398 4.170 -0.198 0.000 0.289 422 I C -0.411 175.744 176.117 0.063 0.000 1.023 422 I CA -0.160 61.155 61.300 0.024 0.000 1.350 422 I CB 0.996 38.941 38.000 -0.091 0.000 1.409 422 I HN 0.342 nan 8.210 nan 0.000 0.507 423 L N 6.058 127.337 121.223 0.093 0.000 2.282 423 L HA 0.567 4.789 4.340 -0.198 0.000 0.288 423 L C 0.043 176.991 176.870 0.131 0.000 1.033 423 L CA -0.192 54.703 54.840 0.091 0.000 0.807 423 L CB 1.658 43.753 42.059 0.061 0.000 1.209 423 L HN 0.559 nan 8.230 nan 0.000 0.423 424 T N 1.923 116.576 114.554 0.165 0.000 2.883 424 T HA 0.902 5.133 4.350 -0.198 0.000 0.296 424 T C -1.612 173.207 174.700 0.199 0.000 1.117 424 T CA -0.333 61.900 62.100 0.222 0.000 1.006 424 T CB 2.029 71.102 68.868 0.341 0.000 1.191 424 T HN 0.793 nan 8.240 nan 0.000 0.508 425 A N 0.762 123.705 122.820 0.204 0.000 2.594 425 A HA 0.789 4.990 4.320 -0.198 0.000 0.296 425 A C 0.130 177.839 177.584 0.207 0.000 1.056 425 A CA 0.172 52.332 52.037 0.204 0.000 0.693 425 A CB 0.677 19.802 19.000 0.207 0.000 1.278 425 A HN 2.258 nan 8.150 nan 0.000 0.408 426 G N -1.068 107.861 108.800 0.214 0.000 2.781 426 G HA2 0.120 3.961 3.960 -0.198 0.000 0.683 426 G HA3 0.120 3.961 3.960 -0.198 0.000 0.683 426 G C 0.987 176.007 174.900 0.201 0.000 1.390 426 G CA -0.004 45.243 45.100 0.246 0.000 0.850 426 G HN 2.562 nan 8.290 nan 0.000 0.557 427 C N -0.167 119.299 119.300 0.277 0.000 2.491 427 C HA 0.515 4.856 4.460 -0.198 0.000 0.277 427 C C 3.062 178.214 174.990 0.270 0.000 1.455 427 C CA 0.989 60.214 59.018 0.345 0.000 1.758 427 C CB -1.594 26.422 27.740 0.460 0.000 1.745 427 C HN 2.173 nan 8.230 nan 0.000 0.558 428 A N 2.962 125.889 122.820 0.180 0.000 2.032 428 A HA -0.240 3.961 4.320 -0.198 0.000 0.221 428 A C 2.348 179.854 177.584 -0.129 0.000 1.165 428 A CA 2.167 54.248 52.037 0.075 0.000 0.645 428 A CB -0.698 18.355 19.000 0.088 0.000 0.807 428 A HN 0.906 nan 8.150 nan 0.000 0.453 429 K N -1.550 118.722 120.400 -0.213 0.000 2.218 429 K HA -0.211 3.990 4.320 -0.198 0.000 0.205 429 K C 1.474 177.601 176.600 -0.788 0.000 1.046 429 K CA 1.859 57.788 56.287 -0.597 0.000 0.933 429 K CB -0.635 31.644 32.500 -0.368 0.000 0.728 429 K HN 0.529 nan 8.250 nan 0.000 0.454 430 Y N 1.081 121.197 120.300 -0.307 0.000 2.571 430 Y HA 0.061 4.486 4.550 -0.209 0.000 0.294 430 Y C 2.143 177.921 175.900 -0.202 0.000 1.141 430 Y CA 0.221 58.190 58.100 -0.219 0.000 1.308 430 Y CB 0.124 38.498 38.460 -0.142 0.000 1.002 430 Y HN -0.001 nan 8.280 nan 0.000 0.551 431 R N -0.262 120.149 120.500 -0.148 0.000 2.280 431 R HA -0.092 4.129 4.340 -0.198 0.000 0.207 431 R C 0.194 176.529 176.300 0.058 0.000 1.043 431 R CA 1.051 57.167 56.100 0.027 0.000 1.006 431 R CB -0.309 30.120 30.300 0.215 0.000 0.885 431 R HN 0.646 nan 8.270 nan 0.000 0.467 432 Y N -2.494 117.885 120.300 0.131 0.000 2.858 432 Y HA 0.262 4.692 4.550 -0.200 0.000 0.270 432 Y C 0.655 176.592 175.900 0.061 0.000 1.063 432 Y CA -1.022 57.139 58.100 0.102 0.000 1.263 432 Y CB -0.749 37.785 38.460 0.124 0.000 1.378 432 Y HN -0.126 nan 8.280 nan 0.000 0.578 433 N N 0.816 119.477 118.700 -0.066 0.000 2.398 433 N HA -0.004 4.617 4.740 -0.198 0.000 0.188 433 N C 0.509 176.036 175.510 0.028 0.000 1.122 433 N CA 0.244 53.295 53.050 0.002 0.000 0.866 433 N CB 0.035 38.441 38.487 -0.135 0.000 0.970 433 N HN 0.263 nan 8.380 nan 0.000 0.462 434 K N 0.421 120.846 120.400 0.042 0.000 2.414 434 K HA 0.304 4.505 4.320 -0.198 0.000 0.204 434 K C 0.192 176.822 176.600 0.050 0.000 1.026 434 K CA -0.177 56.135 56.287 0.042 0.000 1.108 434 K CB 0.967 33.488 32.500 0.035 0.000 0.855 434 K HN 0.221 nan 8.250 nan 0.000 0.517 435 L N 0.804 122.070 121.223 0.073 0.000 2.431 435 L HA 0.272 4.493 4.340 -0.198 0.000 0.260 435 L C 0.571 177.471 176.870 0.050 0.000 1.098 435 L CA -0.838 54.042 54.840 0.066 0.000 0.800 435 L CB 0.430 42.545 42.059 0.094 0.000 1.210 435 L HN -0.066 nan 8.230 nan 0.000 0.465 436 N N 1.018 119.738 118.700 0.033 0.000 3.091 436 N HA 0.249 4.870 4.740 -0.198 0.000 0.255 436 N C 0.106 175.623 175.510 0.012 0.000 1.204 436 N CA -0.037 53.025 53.050 0.020 0.000 0.990 436 N CB 0.217 38.711 38.487 0.011 0.000 1.260 436 N HN 0.560 nan 8.380 nan 0.000 0.502 437 L N 0.766 121.999 121.223 0.016 0.000 2.529 437 L HA 0.348 4.570 4.340 -0.198 0.000 0.223 437 L C 1.423 178.284 176.870 -0.015 0.000 1.113 437 L CA 0.307 55.147 54.840 -0.000 0.000 0.861 437 L CB -0.678 41.387 42.059 0.010 0.000 1.012 437 L HN 0.635 nan 8.230 nan 0.000 0.461 438 G N 1.418 110.214 108.800 -0.008 0.000 2.525 438 G HA2 -0.233 3.608 3.960 -0.198 0.000 0.248 438 G HA3 -0.233 3.608 3.960 -0.198 0.000 0.248 438 G C -0.866 174.022 174.900 -0.021 0.000 1.238 438 G CA 0.023 45.114 45.100 -0.014 0.000 0.926 438 G HN 0.414 nan 8.290 nan 0.000 0.574 439 D N -1.228 119.155 120.400 -0.028 0.000 2.599 439 D HA 0.564 5.085 4.640 -0.198 0.000 0.252 439 D C -1.052 175.222 176.300 -0.042 0.000 1.232 439 D CA -0.786 53.194 54.000 -0.033 0.000 0.819 439 D CB 1.870 42.661 40.800 -0.016 0.000 1.401 439 D HN 0.734 nan 8.370 nan 0.000 0.429 440 I N 0.480 121.021 120.570 -0.048 0.000 2.411 440 I HA 0.373 4.424 4.170 -0.198 0.000 0.284 440 I C 1.052 177.150 176.117 -0.032 0.000 1.012 440 I CA -0.478 60.791 61.300 -0.051 0.000 1.119 440 I CB 1.611 39.565 38.000 -0.077 0.000 1.261 440 I HN 0.855 nan 8.210 nan 0.000 0.448 441 G N 4.320 113.106 108.800 -0.023 0.000 2.283 441 G HA2 -0.175 3.666 3.960 -0.198 0.000 0.280 441 G HA3 -0.175 3.666 3.960 -0.198 0.000 0.280 441 G C 1.031 175.932 174.900 0.001 0.000 1.029 441 G CA 0.698 45.792 45.100 -0.009 0.000 0.840 441 G HN 1.437 nan 8.290 nan 0.000 0.505 442 G N -1.547 107.253 108.800 0.000 0.000 2.225 442 G HA2 -0.278 3.564 3.960 -0.198 0.000 0.254 442 G HA3 -0.278 3.564 3.960 -0.198 0.000 0.254 442 G C 0.489 175.401 174.900 0.020 0.000 0.988 442 G CA 0.357 45.466 45.100 0.014 0.000 0.625 442 G HN 1.350 nan 8.290 nan 0.000 0.527 443 I N 3.170 123.740 120.570 0.001 0.000 2.452 443 I HA 0.269 4.320 4.170 -0.198 0.000 0.287 443 I C -1.770 174.306 176.117 -0.069 0.000 1.079 443 I CA -2.028 59.256 61.300 -0.027 0.000 1.387 443 I CB 1.009 38.989 38.000 -0.034 0.000 1.404 443 I HN -0.102 nan 8.210 nan 0.000 0.522 444 P HA 0.054 nan 4.420 nan 0.000 0.267 444 P C 0.165 177.390 177.300 -0.125 0.000 1.200 444 P CA -0.061 62.983 63.100 -0.093 0.000 0.772 444 P CB 0.490 32.140 31.700 -0.083 0.000 0.855 445 R N 0.873 121.329 120.500 -0.073 0.000 2.307 445 R HA 0.095 4.316 4.340 -0.198 0.000 0.199 445 R C -0.175 176.097 176.300 -0.047 0.000 1.000 445 R CA 0.442 56.502 56.100 -0.067 0.000 1.023 445 R CB 0.068 30.334 30.300 -0.057 0.000 0.908 445 R HN 0.307 nan 8.270 nan 0.000 0.473 446 V N 2.202 122.095 119.914 -0.035 0.000 2.407 446 V HA 0.296 4.297 4.120 -0.198 0.000 0.291 446 V C -0.408 175.643 176.094 -0.070 0.000 1.018 446 V CA -0.605 61.700 62.300 0.009 0.000 0.842 446 V CB 1.987 33.880 31.823 0.116 0.000 0.996 446 V HN 0.100 nan 8.190 nan 0.000 0.426 447 L N 4.120 125.279 121.223 -0.107 0.000 2.295 447 L HA 0.510 4.731 4.340 -0.198 0.000 0.281 447 L C -0.492 176.413 176.870 0.059 0.000 1.018 447 L CA -0.383 54.314 54.840 -0.238 0.000 0.841 447 L CB 1.450 43.257 42.059 -0.421 0.000 1.218 447 L HN 0.560 nan 8.230 nan 0.000 0.424 448 D N 2.548 123.058 120.400 0.183 0.000 2.347 448 D HA 0.322 4.844 4.640 -0.198 0.000 0.235 448 D C 0.713 177.139 176.300 0.211 0.000 1.149 448 D CA -0.206 53.913 54.000 0.198 0.000 0.850 448 D CB 2.066 42.986 40.800 0.199 0.000 1.061 448 D HN 0.559 nan 8.370 nan 0.000 0.487 449 A N 2.868 125.816 122.820 0.213 0.000 2.123 449 A HA 0.516 4.717 4.320 -0.198 0.000 0.214 449 A C 1.315 179.052 177.584 0.253 0.000 1.152 449 A CA 1.124 53.283 52.037 0.202 0.000 0.728 449 A CB -0.163 18.946 19.000 0.181 0.000 0.814 449 A HN 0.821 nan 8.150 nan 0.000 0.464 450 G N -1.421 107.565 108.800 0.310 0.000 2.217 450 G HA2 0.050 3.891 3.960 -0.198 0.000 0.126 450 G HA3 0.050 3.891 3.960 -0.198 0.000 0.126 450 G C -0.697 174.357 174.900 0.256 0.000 1.293 450 G CA -0.278 45.029 45.100 0.344 0.000 1.219 450 G HN 0.372 nan 8.290 nan 0.000 0.477 451 Q N -0.295 119.653 119.800 0.248 0.000 2.407 451 Q HA 0.360 4.581 4.340 -0.198 0.000 0.214 451 Q C 2.135 178.297 176.000 0.270 0.000 1.043 451 Q CA -0.034 55.924 55.803 0.260 0.000 0.983 451 Q CB 0.991 29.912 28.738 0.304 0.000 1.211 451 Q HN 1.027 nan 8.270 nan 0.000 0.564 452 C N -0.430 119.073 119.300 0.339 0.000 2.413 452 C HA -0.155 4.187 4.460 -0.198 0.000 0.277 452 C C 1.804 176.935 174.990 0.235 0.000 1.265 452 C CA 0.849 60.061 59.018 0.325 0.000 1.752 452 C CB -1.444 26.541 27.740 0.408 0.000 1.998 452 C HN 0.878 nan 8.230 nan 0.000 0.489 453 N N 1.778 120.526 118.700 0.081 0.000 2.289 453 N HA -0.157 4.464 4.740 -0.198 0.000 0.184 453 N C 0.744 176.236 175.510 -0.031 0.000 1.016 453 N CA 1.656 54.496 53.050 -0.351 0.000 0.872 453 N CB -0.793 37.262 38.487 -0.720 0.000 0.973 453 N HN 0.580 nan 8.380 nan 0.000 0.433 454 D N 0.688 121.163 120.400 0.125 0.000 2.363 454 D HA 0.055 4.576 4.640 -0.198 0.000 0.226 454 D C 1.052 177.478 176.300 0.209 0.000 1.020 454 D CA 0.130 54.255 54.000 0.208 0.000 0.892 454 D CB 0.052 40.989 40.800 0.228 0.000 0.900 454 D HN 0.205 nan 8.370 nan 0.000 0.531 455 S N 0.437 116.251 115.700 0.191 0.000 2.420 455 S HA -0.230 4.122 4.470 -0.198 0.000 0.237 455 S C 1.672 176.376 174.600 0.174 0.000 1.023 455 S CA 0.566 58.875 58.200 0.182 0.000 0.991 455 S CB -0.353 62.961 63.200 0.191 0.000 0.792 455 S HN 0.420 nan 8.310 nan 0.000 0.488 456 Y N 2.596 122.938 120.300 0.070 0.000 2.114 456 Y HA -0.257 4.171 4.550 -0.202 0.000 0.282 456 Y C 2.563 178.512 175.900 0.081 0.000 1.165 456 Y CA 1.621 59.754 58.100 0.056 0.000 1.148 456 Y CB -0.828 37.655 38.460 0.038 0.000 0.972 456 Y HN 0.179 nan 8.280 nan 0.000 0.504 457 S N 0.343 116.119 115.700 0.126 0.000 2.370 457 S HA -0.200 4.151 4.470 -0.198 0.000 0.226 457 S C 2.061 176.661 174.600 0.001 0.000 1.033 457 S CA 1.592 59.851 58.200 0.099 0.000 1.011 457 S CB -0.579 62.766 63.200 0.241 0.000 0.852 457 S HN 0.480 nan 8.310 nan 0.000 0.457 458 L N 0.894 122.139 121.223 0.037 0.000 2.046 458 L HA -0.132 4.089 4.340 -0.198 0.000 0.208 458 L C 2.784 179.640 176.870 -0.023 0.000 1.077 458 L CA 1.224 56.077 54.840 0.023 0.000 0.747 458 L CB -0.772 41.335 42.059 0.080 0.000 0.896 458 L HN 0.318 nan 8.230 nan 0.000 0.432 459 A N -0.166 122.620 122.820 -0.056 0.000 1.902 459 A HA -0.130 4.071 4.320 -0.198 0.000 0.217 459 A C 2.354 179.830 177.584 -0.179 0.000 1.181 459 A CA 1.623 53.604 52.037 -0.093 0.000 0.623 459 A CB -0.780 18.157 19.000 -0.105 0.000 0.818 459 A HN 0.182 nan 8.150 nan 0.000 0.443 460 V N 0.143 119.864 119.914 -0.321 0.000 2.343 460 V HA -0.274 3.727 4.120 -0.198 0.000 0.247 460 V C 2.412 178.409 176.094 -0.162 0.000 1.051 460 V CA 2.078 64.185 62.300 -0.322 0.000 1.036 460 V CB -0.663 30.860 31.823 -0.500 0.000 0.654 460 V HN 0.572 nan 8.190 nan 0.000 0.451 461 I N 0.294 120.797 120.570 -0.111 0.000 2.202 461 I HA -0.221 3.830 4.170 -0.198 0.000 0.242 461 I C 2.657 178.715 176.117 -0.097 0.000 1.091 461 I CA 1.473 62.721 61.300 -0.086 0.000 1.368 461 I CB -0.577 37.373 38.000 -0.084 0.000 1.058 461 I HN 0.274 nan 8.210 nan 0.000 0.410 462 A N 0.838 123.607 122.820 -0.085 0.000 1.902 462 A HA -0.167 4.034 4.320 -0.198 0.000 0.217 462 A C 2.285 179.858 177.584 -0.018 0.000 1.181 462 A CA 1.481 53.491 52.037 -0.045 0.000 0.623 462 A CB -0.892 18.120 19.000 0.020 0.000 0.818 462 A HN 0.393 nan 8.150 nan 0.000 0.443 463 L N -0.974 120.224 121.223 -0.041 0.000 2.141 463 L HA -0.164 4.057 4.340 -0.198 0.000 0.209 463 L C 2.557 179.408 176.870 -0.031 0.000 1.094 463 L CA 1.637 56.456 54.840 -0.034 0.000 0.763 463 L CB -0.346 41.676 42.059 -0.062 0.000 0.908 463 L HN 0.360 nan 8.230 nan 0.000 0.437 464 K N 1.016 121.385 120.400 -0.050 0.000 2.026 464 K HA -0.139 4.062 4.320 -0.198 0.000 0.208 464 K C 1.955 178.533 176.600 -0.038 0.000 1.048 464 K CA 1.572 57.829 56.287 -0.050 0.000 0.929 464 K CB -0.394 32.070 32.500 -0.059 0.000 0.713 464 K HN 0.150 nan 8.250 nan 0.000 0.439 465 L N 0.786 122.002 121.223 -0.013 0.000 2.046 465 L HA -0.157 4.064 4.340 -0.198 0.000 0.208 465 L C 2.653 179.626 176.870 0.172 0.000 1.077 465 L CA 1.597 56.475 54.840 0.064 0.000 0.747 465 L CB -0.540 41.598 42.059 0.132 0.000 0.896 465 L HN 0.290 nan 8.230 nan 0.000 0.432 466 K N 0.516 120.989 120.400 0.121 0.000 2.063 466 K HA -0.274 3.927 4.320 -0.198 0.000 0.208 466 K C 2.054 178.710 176.600 0.094 0.000 1.048 466 K CA 1.908 58.269 56.287 0.124 0.000 0.928 466 K CB -0.043 32.497 32.500 0.066 0.000 0.713 466 K HN 0.311 nan 8.250 nan 0.000 0.442 467 E N 0.008 120.228 120.200 0.034 0.000 2.047 467 E HA -0.143 4.088 4.350 -0.198 0.000 0.191 467 E C 1.915 178.504 176.600 -0.017 0.000 0.987 467 E CA 1.238 57.642 56.400 0.005 0.000 0.799 467 E CB 0.170 29.858 29.700 -0.019 0.000 0.752 467 E HN 0.162 nan 8.360 nan 0.000 0.449 468 V N 0.375 120.240 119.914 -0.082 0.000 2.427 468 V HA -0.206 3.796 4.120 -0.198 0.000 0.248 468 V C 1.828 177.796 176.094 -0.210 0.000 1.051 468 V CA 1.531 63.714 62.300 -0.195 0.000 1.048 468 V CB -0.493 31.125 31.823 -0.341 0.000 0.666 468 V HN 0.289 nan 8.190 nan 0.000 0.456 469 F N 0.475 120.432 119.950 0.012 0.000 2.811 469 F HA 0.325 4.732 4.527 -0.199 0.000 0.301 469 F C 1.863 177.671 175.800 0.014 0.000 1.151 469 F CA 0.594 58.604 58.000 0.018 0.000 1.412 469 F CB -0.162 38.854 39.000 0.027 0.000 1.113 469 F HN 0.312 nan 8.300 nan 0.000 0.579 470 G N 1.676 110.563 108.800 0.145 0.000 2.221 470 G HA2 -0.307 3.534 3.960 -0.198 0.000 0.265 470 G HA3 -0.307 3.534 3.960 -0.198 0.000 0.265 470 G C 0.021 174.975 174.900 0.090 0.000 1.041 470 G CA -0.224 44.930 45.100 0.090 0.000 0.807 470 G HN 0.277 nan 8.290 nan 0.000 0.502 471 L N -0.329 120.958 121.223 0.107 0.000 2.350 471 L HA 0.372 4.593 4.340 -0.198 0.000 0.275 471 L C 1.524 178.424 176.870 0.050 0.000 1.099 471 L CA -0.918 53.968 54.840 0.077 0.000 0.808 471 L CB 0.808 42.918 42.059 0.086 0.000 1.149 471 L HN 0.041 nan 8.230 nan 0.000 0.442 472 E N 0.481 120.701 120.200 0.034 0.000 2.230 472 E HA -0.028 4.203 4.350 -0.198 0.000 0.192 472 E C -0.193 176.419 176.600 0.019 0.000 0.987 472 E CA 0.729 57.142 56.400 0.022 0.000 0.841 472 E CB 0.278 29.987 29.700 0.014 0.000 0.783 472 E HN 0.483 nan 8.360 nan 0.000 0.481 473 D N 0.158 120.571 120.400 0.023 0.000 2.757 473 D HA 0.052 4.573 4.640 -0.198 0.000 0.249 473 D C 0.669 176.989 176.300 0.033 0.000 1.168 473 D CA -0.403 53.609 54.000 0.020 0.000 0.870 473 D CB 2.533 43.341 40.800 0.012 0.000 1.411 473 D HN -0.252 nan 8.370 nan 0.000 0.525 474 V N 4.674 124.608 119.914 0.034 0.000 2.568 474 V HA -0.186 3.815 4.120 -0.198 0.000 0.253 474 V C 1.493 177.630 176.094 0.072 0.000 1.072 474 V CA 1.623 63.954 62.300 0.052 0.000 1.084 474 V CB -0.325 31.522 31.823 0.041 0.000 0.676 474 V HN 0.529 nan 8.190 nan 0.000 0.469 475 N N 0.266 118.999 118.700 0.055 0.000 2.550 475 N HA -0.078 4.543 4.740 -0.198 0.000 0.186 475 N C 0.914 176.460 175.510 0.061 0.000 1.110 475 N CA 1.081 54.173 53.050 0.070 0.000 0.912 475 N CB -0.147 38.361 38.487 0.035 0.000 0.968 475 N HN 0.574 nan 8.380 nan 0.000 0.448 476 D N 0.567 120.993 120.400 0.043 0.000 2.340 476 D HA 0.098 4.619 4.640 -0.198 0.000 0.220 476 D C 0.724 177.030 176.300 0.010 0.000 1.039 476 D CA 0.042 54.056 54.000 0.023 0.000 0.866 476 D CB 0.527 41.334 40.800 0.012 0.000 0.913 476 D HN 0.216 nan 8.370 nan 0.000 0.523 477 L N 1.962 123.209 121.223 0.040 0.000 2.452 477 L HA 0.145 4.366 4.340 -0.198 0.000 0.267 477 L C -1.624 175.281 176.870 0.058 0.000 1.188 477 L CA -1.357 53.506 54.840 0.038 0.000 0.821 477 L CB 0.197 42.309 42.059 0.087 0.000 1.102 477 L HN -0.192 nan 8.230 nan 0.000 0.470 478 P HA 0.238 nan 4.420 nan 0.000 0.225 478 P C -0.772 176.636 177.300 0.180 0.000 1.813 478 P CA 0.360 63.521 63.100 0.101 0.000 1.013 478 P CB -0.308 31.429 31.700 0.062 0.000 1.961 479 I N 0.901 121.534 120.570 0.104 0.000 2.499 479 I HA 0.331 4.383 4.170 -0.198 0.000 0.288 479 I C -0.167 175.872 176.117 -0.129 0.000 1.048 479 I CA -1.223 60.069 61.300 -0.014 0.000 1.062 479 I CB 2.851 40.759 38.000 -0.154 0.000 1.238 479 I HN -0.189 nan 8.210 nan 0.000 0.426 480 V N 6.143 125.956 119.914 -0.169 0.000 2.547 480 V HA 0.375 4.377 4.120 -0.198 0.000 0.299 480 V C -1.094 174.852 176.094 -0.247 0.000 1.040 480 V CA -0.594 61.622 62.300 -0.140 0.000 0.913 480 V CB 1.756 33.468 31.823 -0.185 0.000 0.992 480 V HN 0.414 nan 8.190 nan 0.000 0.449 481 Y N 2.962 123.284 120.300 0.037 0.000 2.356 481 Y HA 0.466 4.895 4.550 -0.202 0.000 0.334 481 Y C 0.424 176.382 175.900 0.097 0.000 0.958 481 Y CA -0.582 57.545 58.100 0.045 0.000 1.196 481 Y CB 1.133 39.575 38.460 -0.031 0.000 1.137 481 Y HN 0.547 nan 8.280 nan 0.000 0.485 482 N N 4.506 123.346 118.700 0.233 0.000 2.841 482 N HA 0.348 4.970 4.740 -0.198 0.000 0.257 482 N C -1.368 174.316 175.510 0.290 0.000 1.396 482 N CA -0.151 53.052 53.050 0.255 0.000 0.823 482 N CB 0.197 38.745 38.487 0.102 0.000 1.162 482 N HN 0.610 nan 8.380 nan 0.000 0.503 483 I N 1.133 121.864 120.570 0.269 0.000 2.385 483 I HA 0.482 4.534 4.170 -0.198 0.000 0.294 483 I C 0.466 176.708 176.117 0.208 0.000 0.988 483 I CA -0.774 60.657 61.300 0.218 0.000 1.265 483 I CB 1.595 39.717 38.000 0.203 0.000 1.388 483 I HN 0.300 nan 8.210 nan 0.000 0.480 484 A N 7.732 130.587 122.820 0.059 0.000 2.312 484 A HA 0.700 4.901 4.320 -0.198 0.000 0.326 484 A C -1.047 176.686 177.584 0.249 0.000 1.172 484 A CA -0.471 51.570 52.037 0.007 0.000 0.821 484 A CB 0.807 19.524 19.000 -0.471 0.000 1.166 484 A HN 0.819 nan 8.150 nan 0.000 0.493 485 W N 1.780 123.140 121.300 0.099 0.000 2.962 485 W HA 0.634 5.153 4.660 -0.235 0.000 0.341 485 W C -1.306 175.357 176.519 0.240 0.000 1.155 485 W CA -0.879 56.557 57.345 0.151 0.000 1.165 485 W CB 1.143 30.670 29.460 0.111 0.000 1.435 485 W HN 0.736 nan 8.180 nan 0.000 0.546 486 Y N 0.957 121.189 120.300 -0.114 0.000 3.087 486 Y HA 0.150 4.569 4.550 -0.219 0.000 0.227 486 Y C 0.417 176.190 175.900 -0.212 0.000 1.015 486 Y CA 1.467 59.344 58.100 -0.373 0.000 1.399 486 Y CB 0.314 38.748 38.460 -0.043 0.000 1.483 486 Y HN 0.468 nan 8.280 nan 0.000 0.420 487 E N -0.313 119.829 120.200 -0.097 0.000 2.604 487 E HA 0.349 4.580 4.350 -0.198 0.000 0.201 487 E C 0.449 177.108 176.600 0.099 0.000 0.728 487 E CA -0.308 55.989 56.400 -0.172 0.000 1.030 487 E CB 0.336 29.847 29.700 -0.315 0.000 1.759 487 E HN 0.008 nan 8.360 nan 0.000 0.377 488 Q N -0.262 119.526 119.800 -0.020 0.000 2.354 488 Q HA 0.198 4.419 4.340 -0.198 0.000 0.203 488 Q C 1.541 177.527 176.000 -0.023 0.000 0.933 488 Q CA 0.879 56.681 55.803 -0.002 0.000 0.901 488 Q CB 0.042 28.741 28.738 -0.064 0.000 1.007 488 Q HN 0.367 nan 8.270 nan 0.000 0.495 489 K N 0.414 120.770 120.400 -0.074 0.000 2.097 489 K HA -0.070 4.131 4.320 -0.198 0.000 0.206 489 K C 1.979 178.636 176.600 0.096 0.000 1.049 489 K CA 1.183 57.396 56.287 -0.123 0.000 0.933 489 K CB -0.175 32.225 32.500 -0.167 0.000 0.717 489 K HN 0.213 nan 8.250 nan 0.000 0.442 490 A N 0.856 123.791 122.820 0.192 0.000 1.972 490 A HA -0.116 4.085 4.320 -0.198 0.000 0.219 490 A C 2.295 179.993 177.584 0.189 0.000 1.169 490 A CA 1.306 53.499 52.037 0.261 0.000 0.635 490 A CB -0.539 18.702 19.000 0.401 0.000 0.810 490 A HN 0.071 nan 8.150 nan 0.000 0.446 491 V N -0.330 119.681 119.914 0.163 0.000 2.295 491 V HA -0.244 3.757 4.120 -0.198 0.000 0.246 491 V C 2.359 178.492 176.094 0.064 0.000 1.049 491 V CA 2.005 64.361 62.300 0.094 0.000 1.024 491 V CB -0.665 31.238 31.823 0.134 0.000 0.648 491 V HN 0.589 nan 8.190 nan 0.000 0.447 492 I N -0.275 120.332 120.570 0.063 0.000 2.394 492 I HA -0.133 3.919 4.170 -0.198 0.000 0.251 492 I C 2.183 178.369 176.117 0.115 0.000 1.136 492 I CA 1.316 62.658 61.300 0.071 0.000 1.425 492 I CB -0.179 37.846 38.000 0.040 0.000 1.079 492 I HN 0.062 nan 8.210 nan 0.000 0.425 493 V N 0.331 120.342 119.914 0.161 0.000 2.343 493 V HA -0.256 3.745 4.120 -0.198 0.000 0.247 493 V C 2.433 178.575 176.094 0.080 0.000 1.051 493 V CA 1.866 64.267 62.300 0.168 0.000 1.036 493 V CB -0.852 31.101 31.823 0.217 0.000 0.654 493 V HN 0.499 nan 8.190 nan 0.000 0.451 494 L N -0.187 121.062 121.223 0.043 0.000 2.017 494 L HA -0.150 4.071 4.340 -0.198 0.000 0.208 494 L C 2.207 179.023 176.870 -0.090 0.000 1.073 494 L CA 1.946 56.762 54.840 -0.040 0.000 0.745 494 L CB -0.572 41.439 42.059 -0.081 0.000 0.894 494 L HN 0.202 nan 8.230 nan 0.000 0.432 495 L N -0.595 120.591 121.223 -0.062 0.000 2.083 495 L HA -0.179 4.042 4.340 -0.198 0.000 0.209 495 L C 2.702 179.530 176.870 -0.071 0.000 1.083 495 L CA 1.097 55.885 54.840 -0.088 0.000 0.752 495 L CB -1.041 40.998 42.059 -0.033 0.000 0.899 495 L HN 0.420 nan 8.230 nan 0.000 0.433 496 A N 0.430 123.244 122.820 -0.010 0.000 1.883 496 A HA -0.184 4.017 4.320 -0.198 0.000 0.217 496 A C 2.257 179.823 177.584 -0.030 0.000 1.186 496 A CA 1.516 53.558 52.037 0.008 0.000 0.624 496 A CB -0.734 18.312 19.000 0.076 0.000 0.822 496 A HN 0.352 nan 8.150 nan 0.000 0.444 497 L N -0.612 120.581 121.223 -0.050 0.000 2.046 497 L HA -0.183 4.039 4.340 -0.198 0.000 0.208 497 L C 2.561 179.343 176.870 -0.146 0.000 1.077 497 L CA 1.046 55.827 54.840 -0.098 0.000 0.747 497 L CB -0.550 41.430 42.059 -0.131 0.000 0.896 497 L HN 0.384 nan 8.230 nan 0.000 0.432 498 L N -0.458 120.636 121.223 -0.214 0.000 2.083 498 L HA -0.184 4.038 4.340 -0.198 0.000 0.209 498 L C 2.873 179.653 176.870 -0.151 0.000 1.083 498 L CA 1.520 56.158 54.840 -0.338 0.000 0.752 498 L CB -0.685 40.949 42.059 -0.708 0.000 0.899 498 L HN 0.408 nan 8.230 nan 0.000 0.433 499 S N 0.003 115.639 115.700 -0.107 0.000 2.423 499 S HA -0.109 4.242 4.470 -0.198 0.000 0.231 499 S C 1.773 176.365 174.600 -0.013 0.000 1.014 499 S CA 0.762 58.941 58.200 -0.036 0.000 0.965 499 S CB -0.464 62.708 63.200 -0.047 0.000 0.785 499 S HN 0.423 nan 8.310 nan 0.000 0.495 500 L N 0.943 122.150 121.223 -0.027 0.000 2.599 500 L HA 0.308 4.530 4.340 -0.198 0.000 0.230 500 L C 1.800 178.667 176.870 -0.005 0.000 1.141 500 L CA 0.384 55.212 54.840 -0.020 0.000 0.877 500 L CB -0.512 41.528 42.059 -0.032 0.000 1.009 500 L HN 0.625 nan 8.230 nan 0.000 0.447 501 G N -0.037 108.780 108.800 0.029 0.000 2.141 501 G HA2 -0.235 3.606 3.960 -0.198 0.000 0.242 501 G HA3 -0.235 3.606 3.960 -0.198 0.000 0.242 501 G C 0.183 175.098 174.900 0.026 0.000 0.982 501 G CA -0.071 45.068 45.100 0.065 0.000 0.662 501 G HN 0.079 nan 8.290 nan 0.000 0.527 502 V N 1.218 121.102 119.914 -0.051 0.000 2.479 502 V HA 0.382 4.384 4.120 -0.198 0.000 0.281 502 V C 0.820 176.836 176.094 -0.130 0.000 1.031 502 V CA 0.405 62.596 62.300 -0.181 0.000 1.038 502 V CB 1.090 32.667 31.823 -0.409 0.000 0.981 502 V HN 0.382 nan 8.190 nan 0.000 0.478 503 K N 3.471 123.803 120.400 -0.113 0.000 2.258 503 K HA 0.523 4.724 4.320 -0.198 0.000 0.236 503 K C 0.365 176.876 176.600 -0.147 0.000 1.008 503 K CA -0.877 55.374 56.287 -0.060 0.000 0.869 503 K CB 0.844 33.327 32.500 -0.027 0.000 1.171 503 K HN 0.642 nan 8.250 nan 0.000 0.447 504 N N 0.006 118.614 118.700 -0.155 0.000 2.829 504 N HA -0.191 4.431 4.740 -0.198 0.000 0.250 504 N C -0.641 174.565 175.510 -0.507 0.000 1.090 504 N CA 0.669 53.551 53.050 -0.279 0.000 0.781 504 N CB -1.647 36.736 38.487 -0.173 0.000 1.124 504 N HN 0.513 nan 8.380 nan 0.000 0.559 505 I N 2.439 122.786 120.570 -0.371 0.000 2.598 505 I HA -0.053 3.998 4.170 -0.198 0.000 0.284 505 I C 0.883 176.755 176.117 -0.410 0.000 1.140 505 I CA 0.343 61.450 61.300 -0.322 0.000 1.420 505 I CB 0.295 38.164 38.000 -0.218 0.000 1.387 505 I HN -0.012 nan 8.210 nan 0.000 0.553 506 H N 7.041 126.042 119.070 -0.115 0.000 2.552 506 H HA 0.374 4.811 4.556 -0.199 0.000 0.311 506 H C -0.623 174.722 175.328 0.027 0.000 1.071 506 H CA -0.738 55.234 56.048 -0.128 0.000 1.307 506 H CB 1.611 31.155 29.762 -0.364 0.000 1.416 506 H HN 0.315 nan 8.280 nan 0.000 0.464 507 L N 2.789 124.091 121.223 0.131 0.000 2.341 507 L HA 0.673 4.894 4.340 -0.198 0.000 0.278 507 L C 0.056 177.065 176.870 0.232 0.000 1.005 507 L CA -0.008 54.924 54.840 0.154 0.000 0.818 507 L CB 1.796 43.859 42.059 0.006 0.000 1.259 507 L HN 0.828 nan 8.230 nan 0.000 0.418 508 G N 3.555 112.581 108.800 0.377 0.000 2.619 508 G HA2 0.428 4.269 3.960 -0.198 0.000 0.305 508 G HA3 0.428 4.269 3.960 -0.198 0.000 0.305 508 G C -2.746 172.406 174.900 0.420 0.000 1.330 508 G CA -0.288 45.030 45.100 0.363 0.000 0.789 508 G HN 0.352 nan 8.290 nan 0.000 0.487 509 P HA 0.097 nan 4.420 nan 0.000 0.229 509 P C 0.735 178.091 177.300 0.094 0.000 1.160 509 P CA 1.117 64.305 63.100 0.146 0.000 0.777 509 P CB 0.221 31.984 31.700 0.105 0.000 0.814 510 T N -2.950 111.712 114.554 0.179 0.000 2.907 510 T HA 0.604 4.835 4.350 -0.198 0.000 0.290 510 T C -0.212 174.674 174.700 0.310 0.000 1.066 510 T CA -0.991 61.215 62.100 0.176 0.000 1.012 510 T CB 1.245 70.190 68.868 0.129 0.000 1.184 510 T HN -0.192 nan 8.240 nan 0.000 0.522 511 L N 1.434 122.752 121.223 0.158 0.000 2.357 511 L HA 0.463 4.684 4.340 -0.198 0.000 0.273 511 L C -2.269 174.596 176.870 -0.008 0.000 1.080 511 L CA -2.472 52.391 54.840 0.039 0.000 0.803 511 L CB 0.759 42.789 42.059 -0.047 0.000 1.174 511 L HN 0.457 nan 8.230 nan 0.000 0.443 512 P HA -0.055 nan 4.420 nan 0.000 0.264 512 P C 0.054 177.050 177.300 -0.507 0.000 1.183 512 P CA 0.118 62.861 63.100 -0.595 0.000 0.763 512 P CB 0.769 31.419 31.700 -1.750 0.000 0.807 513 A N 3.465 126.094 122.820 -0.319 0.000 2.067 513 A HA -0.148 4.054 4.320 -0.198 0.000 0.219 513 A C 1.387 178.844 177.584 -0.211 0.000 1.158 513 A CA 1.189 53.153 52.037 -0.121 0.000 0.661 513 A CB -1.368 17.692 19.000 0.100 0.000 0.801 513 A HN 0.673 nan 8.150 nan 0.000 0.452 514 F N -1.273 118.445 119.950 -0.387 0.000 2.811 514 F HA 0.437 4.841 4.527 -0.205 0.000 0.301 514 F C 0.131 175.869 175.800 -0.103 0.000 1.151 514 F CA -0.545 57.152 58.000 -0.505 0.000 1.412 514 F CB -0.625 37.999 39.000 -0.628 0.000 1.113 514 F HN -0.102 nan 8.300 nan 0.000 0.579 515 L N 2.432 123.560 121.223 -0.157 0.000 2.261 515 L HA 0.312 4.533 4.340 -0.198 0.000 0.289 515 L C 0.692 177.573 176.870 0.018 0.000 1.059 515 L CA -0.855 53.958 54.840 -0.046 0.000 0.816 515 L CB 0.812 42.784 42.059 -0.144 0.000 1.191 515 L HN 0.269 nan 8.230 nan 0.000 0.431 516 S N 2.948 118.692 115.700 0.073 0.000 2.593 516 S HA 0.257 4.609 4.470 -0.198 0.000 0.269 516 S C -1.751 172.877 174.600 0.045 0.000 1.334 516 S CA -1.076 57.170 58.200 0.076 0.000 1.015 516 S CB 0.975 64.229 63.200 0.090 0.000 0.912 516 S HN 0.376 nan 8.310 nan 0.000 0.541 517 P HA -0.140 nan 4.420 nan 0.000 0.216 517 P C 0.805 178.122 177.300 0.029 0.000 1.157 517 P CA 1.749 64.867 63.100 0.031 0.000 0.880 517 P CB -0.253 31.466 31.700 0.033 0.000 0.791 518 N N -1.275 117.445 118.700 0.033 0.000 2.270 518 N HA -0.076 4.545 4.740 -0.198 0.000 0.181 518 N C 1.532 177.062 175.510 0.033 0.000 1.016 518 N CA 0.485 53.553 53.050 0.031 0.000 0.870 518 N CB -0.396 38.110 38.487 0.031 0.000 0.979 518 N HN -0.063 nan 8.380 nan 0.000 0.431 519 V N 1.279 121.216 119.914 0.038 0.000 2.379 519 V HA -0.152 3.849 4.120 -0.198 0.000 0.245 519 V C 2.367 178.479 176.094 0.030 0.000 1.044 519 V CA 1.748 64.072 62.300 0.040 0.000 1.036 519 V CB -0.789 31.064 31.823 0.049 0.000 0.664 519 V HN 0.322 nan 8.190 nan 0.000 0.453 520 A N -0.105 122.725 122.820 0.016 0.000 1.940 520 A HA -0.301 3.901 4.320 -0.198 0.000 0.219 520 A C 2.309 179.904 177.584 0.018 0.000 1.176 520 A CA 2.348 54.386 52.037 0.002 0.000 0.631 520 A CB -0.499 18.496 19.000 -0.008 0.000 0.814 520 A HN 0.534 nan 8.150 nan 0.000 0.446 521 K N -0.445 119.968 120.400 0.022 0.000 2.057 521 K HA -0.080 4.121 4.320 -0.198 0.000 0.207 521 K C 1.761 178.379 176.600 0.029 0.000 1.049 521 K CA 1.488 57.788 56.287 0.022 0.000 0.931 521 K CB -0.244 32.267 32.500 0.019 0.000 0.714 521 K HN 0.225 nan 8.250 nan 0.000 0.440 522 V N 1.581 121.520 119.914 0.042 0.000 2.343 522 V HA -0.248 3.753 4.120 -0.198 0.000 0.247 522 V C 2.215 178.378 176.094 0.115 0.000 1.051 522 V CA 1.596 63.932 62.300 0.060 0.000 1.036 522 V CB -0.343 31.524 31.823 0.074 0.000 0.654 522 V HN 0.335 nan 8.190 nan 0.000 0.451 523 L N -0.687 120.614 121.223 0.130 0.000 2.093 523 L HA -0.123 4.098 4.340 -0.198 0.000 0.208 523 L C 2.426 179.386 176.870 0.150 0.000 1.085 523 L CA 0.951 55.912 54.840 0.201 0.000 0.755 523 L CB -0.608 41.488 42.059 0.062 0.000 0.904 523 L HN 0.206 nan 8.230 nan 0.000 0.435 524 V N -0.180 119.772 119.914 0.064 0.000 2.323 524 V HA -0.232 3.769 4.120 -0.198 0.000 0.244 524 V C 2.340 178.439 176.094 0.009 0.000 1.041 524 V CA 1.692 64.010 62.300 0.030 0.000 1.025 524 V CB -0.374 31.459 31.823 0.017 0.000 0.656 524 V HN 0.426 nan 8.190 nan 0.000 0.451 525 E N -0.424 119.775 120.200 -0.002 0.000 2.072 525 E HA -0.209 4.023 4.350 -0.198 0.000 0.191 525 E C 2.325 178.863 176.600 -0.103 0.000 0.985 525 E CA 1.139 57.516 56.400 -0.039 0.000 0.801 525 E CB -0.050 29.631 29.700 -0.032 0.000 0.750 525 E HN 0.506 nan 8.360 nan 0.000 0.452 526 Q N -1.100 118.604 119.800 -0.159 0.000 2.339 526 Q HA 0.062 4.283 4.340 -0.198 0.000 0.205 526 Q C 1.130 176.727 176.000 -0.672 0.000 0.925 526 Q CA 0.794 56.329 55.803 -0.447 0.000 0.898 526 Q CB 0.401 28.766 28.738 -0.622 0.000 1.013 526 Q HN 0.307 nan 8.270 nan 0.000 0.504 527 F N -0.051 119.860 119.950 -0.063 0.000 2.746 527 F HA 0.274 4.687 4.527 -0.189 0.000 0.320 527 F C 0.529 176.264 175.800 -0.109 0.000 1.097 527 F CA -0.469 57.478 58.000 -0.089 0.000 1.195 527 F CB 0.272 39.214 39.000 -0.096 0.000 1.056 527 F HN 0.047 nan 8.300 nan 0.000 0.562 528 N N 2.188 120.906 118.700 0.030 0.000 2.716 528 N HA -0.228 4.393 4.740 -0.198 0.000 0.250 528 N C -0.186 175.290 175.510 -0.058 0.000 1.033 528 N CA -0.205 52.833 53.050 -0.021 0.000 0.727 528 N CB -0.652 37.806 38.487 -0.049 0.000 0.950 528 N HN 0.267 nan 8.380 nan 0.000 0.541 529 I N 0.472 121.029 120.570 -0.022 0.000 2.692 529 I HA 0.186 4.237 4.170 -0.198 0.000 0.284 529 I C 1.448 177.531 176.117 -0.057 0.000 1.159 529 I CA 0.457 61.711 61.300 -0.076 0.000 1.423 529 I CB 1.091 39.053 38.000 -0.063 0.000 1.380 529 I HN 0.253 nan 8.210 nan 0.000 0.580 530 G N 3.348 112.110 108.800 -0.064 0.000 2.766 530 G HA2 0.697 4.538 3.960 -0.198 0.000 0.288 530 G HA3 0.697 4.538 3.960 -0.198 0.000 0.288 530 G C -0.699 174.251 174.900 0.084 0.000 1.408 530 G CA -0.440 44.682 45.100 0.036 0.000 0.852 530 G HN 0.771 nan 8.290 nan 0.000 0.487 531 G N -1.361 107.517 108.800 0.129 0.000 2.938 531 G HA2 0.697 4.538 3.960 -0.198 0.000 0.258 531 G HA3 0.697 4.538 3.960 -0.198 0.000 0.258 531 G C -0.319 174.691 174.900 0.183 0.000 1.356 531 G CA -0.552 44.623 45.100 0.125 0.000 1.052 531 G HN 1.175 nan 8.290 nan 0.000 0.550 532 I N -2.170 118.428 120.570 0.048 0.000 2.750 532 I HA 0.833 4.884 4.170 -0.198 0.000 0.308 532 I C 0.560 176.622 176.117 -0.092 0.000 1.016 532 I CA -0.650 60.602 61.300 -0.079 0.000 1.098 532 I CB 2.374 39.970 38.000 -0.673 0.000 1.279 532 I HN 0.703 nan 8.210 nan 0.000 0.454 533 T N 0.255 114.771 114.554 -0.063 0.000 2.061 533 T HA 0.385 4.616 4.350 -0.198 0.000 0.190 533 T C 0.482 175.218 174.700 0.061 0.000 0.781 533 T CA 0.230 62.323 62.100 -0.011 0.000 1.192 533 T CB -0.093 68.788 68.868 0.022 0.000 2.891 533 T HN 0.868 nan 8.240 nan 0.000 0.450 534 S N 2.058 117.816 115.700 0.095 0.000 2.610 534 S HA 0.439 4.790 4.470 -0.198 0.000 0.273 534 S C -1.698 173.008 174.600 0.177 0.000 1.274 534 S CA -1.187 57.097 58.200 0.141 0.000 1.023 534 S CB 1.056 64.286 63.200 0.051 0.000 0.962 534 S HN 0.542 nan 8.310 nan 0.000 0.523 535 P HA -0.203 nan 4.420 nan 0.000 0.216 535 P C 1.682 178.917 177.300 -0.109 0.000 1.153 535 P CA 1.365 64.359 63.100 -0.176 0.000 0.848 535 P CB -0.125 31.402 31.700 -0.289 0.000 0.787 536 Q N 0.101 119.849 119.800 -0.088 0.000 2.119 536 Q HA -0.171 4.050 4.340 -0.198 0.000 0.201 536 Q C 1.322 177.272 176.000 -0.083 0.000 0.972 536 Q CA 1.656 57.399 55.803 -0.099 0.000 0.847 536 Q CB -1.334 27.360 28.738 -0.074 0.000 0.903 536 Q HN 0.173 nan 8.270 nan 0.000 0.433 537 D N 1.663 122.029 120.400 -0.057 0.000 2.117 537 D HA -0.109 4.412 4.640 -0.198 0.000 0.198 537 D C 1.386 177.615 176.300 -0.118 0.000 0.982 537 D CA 1.367 55.334 54.000 -0.057 0.000 0.828 537 D CB -0.197 40.586 40.800 -0.029 0.000 0.967 537 D HN 0.286 nan 8.370 nan 0.000 0.464 538 D N -0.131 120.142 120.400 -0.212 0.000 2.183 538 D HA -0.033 4.488 4.640 -0.198 0.000 0.203 538 D C 2.205 178.333 176.300 -0.285 0.000 0.969 538 D CA 0.171 53.800 54.000 -0.619 0.000 0.842 538 D CB -0.182 40.048 40.800 -0.951 0.000 0.957 538 D HN 0.209 nan 8.370 nan 0.000 0.484 539 L N 0.473 121.636 121.223 -0.100 0.000 2.191 539 L HA -0.159 4.062 4.340 -0.198 0.000 0.212 539 L C 2.384 179.290 176.870 0.061 0.000 1.103 539 L CA 1.080 55.865 54.840 -0.091 0.000 0.769 539 L CB -0.134 41.722 42.059 -0.338 0.000 0.908 539 L HN -0.006 nan 8.230 nan 0.000 0.438 540 K N 0.042 120.452 120.400 0.017 0.000 2.044 540 K HA -0.072 4.129 4.320 -0.198 0.000 0.204 540 K C 2.166 178.860 176.600 0.157 0.000 1.045 540 K CA 1.035 57.361 56.287 0.066 0.000 0.951 540 K CB -0.050 32.456 32.500 0.011 0.000 0.738 540 K HN 0.190 nan 8.250 nan 0.000 0.443 541 A N 0.680 123.560 122.820 0.100 0.000 1.930 541 A HA -0.057 4.144 4.320 -0.198 0.000 0.217 541 A C 1.901 179.682 177.584 0.327 0.000 1.175 541 A CA 1.014 53.153 52.037 0.170 0.000 0.627 541 A CB -0.738 18.342 19.000 0.133 0.000 0.815 541 A HN 0.417 nan 8.150 nan 0.000 0.443 542 F N -2.203 117.771 119.950 0.041 0.000 2.661 542 F HA 0.002 4.410 4.527 -0.199 0.000 0.298 542 F C 0.969 176.576 175.800 -0.321 0.000 1.137 542 F CA 0.123 58.015 58.000 -0.180 0.000 1.454 542 F CB 0.050 38.840 39.000 -0.350 0.000 1.103 542 F HN 0.219 nan 8.300 nan 0.000 0.577 543 F N -0.036 120.063 119.950 0.249 0.000 2.661 543 F HA 0.407 4.815 4.527 -0.198 0.000 0.306 543 F C 0.850 176.710 175.800 0.100 0.000 1.094 543 F CA -0.054 58.034 58.000 0.146 0.000 1.254 543 F CB 0.520 39.570 39.000 0.083 0.000 1.040 543 F HN -0.156 nan 8.300 nan 0.000 0.562 544 G N 0.000 108.936 108.800 0.227 0.000 5.446 544 G HA2 0.000 3.841 3.960 -0.198 0.000 0.244 544 G HA3 0.000 3.841 3.960 -0.198 0.000 0.244 544 G CA 0.000 nan 45.100 nan 0.000 0.502 544 G HN 0.000 nan 8.290 nan 0.000 0.925