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 2q1f_1_A DATA FIRST_RESID 14 DATA SEQUENCE AQIVTDERXF SFEEPQLPAC ITGVQSQLGI SGAHYKDGKH SLEWTFEPNG DATA SEQUENCE RLELRKDLKF EKKDPTGKDL YLSAFIVWIY NEQPQDAAIE FEFLKDGRKC DATA SEQUENCE ASFPFGINFK GWRAAWVCYE RDXQGTPEEG XNELRIVAPD AKGRLFIDHL DATA SEQUENCE ITATKVDARQ QTADLQVPFV NAGTTNHWLV LYKHSLLKPD IELTPVSDKQ DATA SEQUENCE RQEXKLLEKR FRDXIYTKGK VTEKEAETIR KKYDLYQITY KDGQVSGVPV DATA SEQUENCE FXVRASEAYE RXIPDWDKDX LTKXGIEXRA YFDLXKRIAV AYNNSEAGSP DATA SEQUENCE IRKEXRRKFL AXYDHITDQG VAYGSCWGNI HHYGYSVRGL YPAYFLXKDV DATA SEQUENCE LREEGKLLEA ERTLRWYAIT NEVYPKPEGN GIDXDSFNTQ TTGRIASILX DATA SEQUENCE XEDTPEKLQY LKSFSRWIDY GCRPAPGLAG SFKVDGGAFH HRNNYPAYAV DATA SEQUENCE GGLDGATNXI YLFSRTSLAV SELAHRTVKD VLLAXRFYCN KLNFPLSXSG DATA SEQUENCE RHPDGKGKLV PXHYAIXAIA GTPDGKGDFD KEXASAYLRL VSSDXXXXXX DATA SEQUENCE XXXXXPKVSN AQERKIAKRL VENGFRAEPD PQGNLSLGYG CVSVQRRENW DATA SEQUENCE SAVARGHSRY LWAAEHYLGH NLYGRYLAHG SLQILTAPPG QTVTPTTSGW DATA SEQUENCE QQEGFDWNRI PGVTSIHLPL DLLKANVLNV DTFSGXEEXL YSDEAFAGGL DATA SEQUENCE SQGKXNGNFG XKLHEHDKYN GTHRARKSFH FIDGXIVCLG SDIENTNXDY DATA SEQUENCE PTETTIFQLA VTDKAAHDYW KNNAGEGKVW XDHLGTGYYV PVAARFEKNF DATA SEQUENCE PQYSRXQDTG KETKGDWVSL IIDHGKAPKA GSYEYAILPG TDRKTXTAFA DATA SEQUENCE KKPAYSVLQQ DRNAHILESP SDRITSYVLF ETPQSLLPGG LLQRTDTSCL DATA SEQUENCE VXVRKESADK VLLTVAQPDL ALYRGPSDEA FDKDGKRXER SIYSRPWIDN DATA SEQUENCE ESGEIPVTVT LKGRWKVVET PYCKVVSEDK KQTVLRFLCK DGASYEVELE DATA SEQUENCE K 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 14 A HA 0.000 nan 4.320 nan 0.000 0.244 14 A C 0.000 177.566 177.584 -0.030 0.000 1.274 14 A CA 0.000 52.017 52.037 -0.033 0.000 0.836 14 A CB 0.000 18.978 19.000 -0.037 0.000 0.831 15 Q N 1.550 121.332 119.800 -0.030 0.000 2.286 15 Q HA 0.615 4.957 4.340 0.002 0.000 0.257 15 Q C -0.062 175.889 176.000 -0.083 0.000 0.941 15 Q CA -0.454 55.328 55.803 -0.035 0.000 0.912 15 Q CB 0.653 29.372 28.738 -0.031 0.000 1.192 15 Q HN 0.972 nan 8.270 nan 0.000 0.410 16 I N -0.374 120.129 120.570 -0.111 0.000 2.416 16 I HA 0.407 4.579 4.170 0.002 0.000 0.288 16 I C -0.657 175.275 176.117 -0.307 0.000 1.051 16 I CA -1.088 60.089 61.300 -0.205 0.000 1.375 16 I CB 0.754 38.605 38.000 -0.249 0.000 1.407 16 I HN 0.558 nan 8.210 nan 0.000 0.516 17 V N 3.137 122.884 119.914 -0.278 0.000 3.411 17 V HA -0.183 3.938 4.120 0.002 0.000 0.484 17 V C 0.115 176.101 176.094 -0.180 0.000 0.682 17 V CA 0.676 62.822 62.300 -0.258 0.000 2.023 17 V CB -1.464 30.113 31.823 -0.409 0.000 2.468 17 V HN 1.045 nan 8.190 nan 0.000 0.502 18 T N 6.100 120.574 114.554 -0.133 0.000 2.772 18 T HA 0.599 4.951 4.350 0.002 0.000 0.288 18 T C -0.442 174.191 174.700 -0.112 0.000 0.994 18 T CA -0.275 61.750 62.100 -0.124 0.000 0.951 18 T CB 1.508 70.314 68.868 -0.103 0.000 0.933 18 T HN 0.860 nan 8.240 nan 0.000 0.447 19 D N 1.555 121.875 120.400 -0.134 0.000 2.753 19 D HA 0.146 4.787 4.640 0.002 0.000 0.224 19 D C 0.619 176.823 176.300 -0.161 0.000 1.213 19 D CA -0.456 53.475 54.000 -0.115 0.000 0.833 19 D CB 2.330 43.081 40.800 -0.082 0.000 1.607 19 D HN 0.506 nan 8.370 nan 0.000 0.463 20 E N 1.259 121.383 120.200 -0.127 0.000 2.209 20 E HA -0.117 4.234 4.350 0.002 0.000 0.196 20 E C 0.308 176.818 176.600 -0.150 0.000 0.993 20 E CA 0.969 57.281 56.400 -0.146 0.000 0.819 20 E CB 0.461 30.117 29.700 -0.073 0.000 0.745 20 E HN 0.279 nan 8.360 nan 0.000 0.477 24 S N 2.251 117.655 115.700 -0.493 0.000 2.687 24 S HA 0.269 4.740 4.470 0.002 0.000 0.247 24 S C 0.354 174.955 174.600 0.001 0.000 1.050 24 S CA -0.040 58.040 58.200 -0.200 0.000 1.063 24 S CB -0.070 63.092 63.200 -0.063 0.000 1.039 24 S HN 0.593 nan 8.310 nan 0.000 0.580 25 F N 1.623 121.689 119.950 0.192 0.000 3.074 25 F HA -0.116 4.412 4.527 0.002 0.000 0.287 25 F C 0.715 176.593 175.800 0.131 0.000 0.932 25 F CA 0.529 58.637 58.000 0.181 0.000 0.995 25 F CB -2.097 37.046 39.000 0.238 0.000 0.966 25 F HN 0.254 nan 8.300 nan 0.000 0.721 26 E N -0.164 120.141 120.200 0.176 0.000 2.479 26 E HA 0.056 4.407 4.350 0.002 0.000 0.193 26 E C 0.889 177.512 176.600 0.038 0.000 1.049 26 E CA 0.323 56.811 56.400 0.145 0.000 0.870 26 E CB 0.164 29.934 29.700 0.117 0.000 0.944 26 E HN 0.411 nan 8.360 nan 0.000 0.492 27 E N 0.951 121.171 120.200 0.033 0.000 2.277 27 E HA 0.135 4.486 4.350 0.002 0.000 0.274 27 E C -1.419 175.161 176.600 -0.033 0.000 1.022 27 E CA -2.173 54.228 56.400 0.002 0.000 0.853 27 E CB 0.861 30.575 29.700 0.023 0.000 1.086 27 E HN -0.125 nan 8.360 nan 0.000 0.397 28 P HA -0.148 nan 4.420 nan 0.000 0.215 28 P C 0.088 177.380 177.300 -0.014 0.000 1.153 28 P CA 1.240 64.309 63.100 -0.052 0.000 0.853 28 P CB 0.522 32.206 31.700 -0.028 0.000 0.788 29 Q N -0.688 119.121 119.800 0.015 0.000 2.227 29 Q HA 0.386 4.727 4.340 0.002 0.000 0.245 29 Q C 0.016 176.061 176.000 0.076 0.000 0.926 29 Q CA -0.558 55.268 55.803 0.038 0.000 0.895 29 Q CB 0.676 29.435 28.738 0.036 0.000 1.230 29 Q HN 0.066 nan 8.270 nan 0.000 0.450 30 L N 3.446 124.723 121.223 0.089 0.000 2.483 30 L HA 0.185 4.526 4.340 0.002 0.000 0.276 30 L C -1.826 175.135 176.870 0.152 0.000 1.213 30 L CA -1.603 53.320 54.840 0.138 0.000 0.843 30 L CB 0.342 42.463 42.059 0.103 0.000 1.107 30 L HN 0.505 nan 8.230 nan 0.000 0.487 31 P HA 0.025 nan 4.420 nan 0.000 0.267 31 P C 0.026 177.423 177.300 0.162 0.000 1.205 31 P CA -0.088 63.143 63.100 0.219 0.000 0.765 31 P CB 0.983 32.913 31.700 0.383 0.000 0.828 32 A N 2.861 125.752 122.820 0.119 0.000 2.019 32 A HA -0.205 4.116 4.320 0.002 0.000 0.219 32 A C 1.979 179.613 177.584 0.083 0.000 1.164 32 A CA 1.712 53.800 52.037 0.085 0.000 0.644 32 A CB -1.478 17.561 19.000 0.065 0.000 0.805 32 A HN 0.773 nan 8.150 nan 0.000 0.449 33 C N -1.527 117.842 119.300 0.114 0.000 2.522 33 C HA 0.449 4.910 4.460 0.002 0.000 0.271 33 C C 0.888 175.910 174.990 0.053 0.000 1.425 33 C CA -0.842 58.233 59.018 0.095 0.000 1.751 33 C CB -1.733 26.095 27.740 0.147 0.000 1.775 33 C HN 0.397 nan 8.230 nan 0.000 0.557 34 I N 3.037 123.645 120.570 0.063 0.000 2.312 34 I HA 0.373 4.545 4.170 0.002 0.000 0.290 34 I C 0.178 176.295 176.117 -0.000 0.000 1.008 34 I CA 0.267 61.571 61.300 0.006 0.000 1.226 34 I CB 1.402 39.422 38.000 0.033 0.000 1.371 34 I HN 0.357 nan 8.210 nan 0.000 0.468 35 T N 1.807 116.341 114.554 -0.034 0.000 2.907 35 T HA 0.763 5.115 4.350 0.002 0.000 0.292 35 T C -0.201 174.476 174.700 -0.038 0.000 1.043 35 T CA -0.911 61.177 62.100 -0.020 0.000 1.003 35 T CB 2.057 70.918 68.868 -0.011 0.000 1.084 35 T HN 0.645 nan 8.240 nan 0.000 0.483 36 G N 0.499 109.303 108.800 0.007 0.000 2.470 36 G HA2 0.585 4.547 3.960 0.002 0.000 0.320 36 G HA3 0.585 4.547 3.960 0.002 0.000 0.320 36 G C -1.147 173.792 174.900 0.065 0.000 1.245 36 G CA -0.755 44.377 45.100 0.052 0.000 0.935 36 G HN 0.819 nan 8.290 nan 0.000 0.476 37 V N 2.295 122.257 119.914 0.080 0.000 2.398 37 V HA 0.335 4.456 4.120 0.002 0.000 0.286 37 V C 0.706 176.856 176.094 0.093 0.000 1.026 37 V CA -0.388 61.950 62.300 0.062 0.000 0.868 37 V CB 1.163 33.003 31.823 0.027 0.000 0.982 37 V HN 1.059 nan 8.190 nan 0.000 0.443 38 Q N 3.108 122.946 119.800 0.064 0.000 2.434 38 Q HA -0.220 4.122 4.340 0.002 0.000 0.299 38 Q C 0.014 176.061 176.000 0.079 0.000 1.286 38 Q CA 0.904 56.740 55.803 0.056 0.000 0.872 38 Q CB -0.661 28.102 28.738 0.041 0.000 1.193 38 Q HN 1.109 nan 8.270 nan 0.000 0.466 39 S N -1.307 114.453 115.700 0.100 0.000 2.587 39 S HA 0.586 5.057 4.470 0.002 0.000 0.269 39 S C -1.166 173.499 174.600 0.109 0.000 1.154 39 S CA -0.833 57.436 58.200 0.115 0.000 0.824 39 S CB 1.699 65.073 63.200 0.289 0.000 1.118 39 S HN 0.387 nan 8.310 nan 0.000 0.462 40 Q N 0.890 120.734 119.800 0.073 0.000 2.342 40 Q HA 0.795 5.136 4.340 0.002 0.000 0.267 40 Q C -1.384 174.678 176.000 0.103 0.000 1.038 40 Q CA -1.039 54.803 55.803 0.065 0.000 0.832 40 Q CB 1.611 30.354 28.738 0.010 0.000 1.323 40 Q HN 0.680 nan 8.270 nan 0.000 0.448 41 L N 0.970 122.249 121.223 0.093 0.000 2.330 41 L HA 0.959 5.300 4.340 0.002 0.000 0.271 41 L C 0.068 176.964 176.870 0.043 0.000 1.013 41 L CA -0.845 54.046 54.840 0.085 0.000 0.816 41 L CB 2.235 44.334 42.059 0.067 0.000 1.287 41 L HN 0.942 nan 8.230 nan 0.000 0.435 42 G N 1.444 110.262 108.800 0.030 0.000 2.667 42 G HA2 0.485 4.446 3.960 0.002 0.000 0.294 42 G HA3 0.485 4.446 3.960 0.002 0.000 0.294 42 G C -1.518 173.412 174.900 0.050 0.000 1.467 42 G CA -0.612 44.511 45.100 0.038 0.000 0.852 42 G HN 0.217 nan 8.290 nan 0.000 0.521 43 I N 1.761 122.370 120.570 0.064 0.000 2.396 43 I HA 0.409 4.581 4.170 0.002 0.000 0.289 43 I C 0.603 176.818 176.117 0.163 0.000 1.056 43 I CA -0.188 61.170 61.300 0.097 0.000 1.365 43 I CB 0.828 38.849 38.000 0.035 0.000 1.407 43 I HN 0.368 nan 8.210 nan 0.000 0.509 44 S N 3.937 119.797 115.700 0.268 0.000 2.503 44 S HA 0.702 5.173 4.470 0.002 0.000 0.301 44 S C 0.655 175.449 174.600 0.323 0.000 1.087 44 S CA -0.394 57.987 58.200 0.302 0.000 1.042 44 S CB 1.705 65.174 63.200 0.448 0.000 1.043 44 S HN 0.808 nan 8.310 nan 0.000 0.489 45 G N 1.912 110.841 108.800 0.216 0.000 3.233 45 G HA2 0.422 4.383 3.960 0.002 0.000 0.234 45 G HA3 0.422 4.383 3.960 0.002 0.000 0.234 45 G C 1.009 175.905 174.900 -0.008 0.000 1.137 45 G CA 0.354 45.508 45.100 0.090 0.000 0.763 45 G HN 0.885 nan 8.290 nan 0.000 0.549 46 A N 0.215 122.946 122.820 -0.148 0.000 1.970 46 A HA 0.228 4.549 4.320 0.002 0.000 0.216 46 A C 0.880 177.921 177.584 -0.904 0.000 1.170 46 A CA 0.601 52.327 52.037 -0.519 0.000 0.645 46 A CB -0.057 18.540 19.000 -0.672 0.000 0.816 46 A HN 0.353 nan 8.150 nan 0.000 0.447 47 H N -2.117 116.769 119.070 -0.305 0.000 2.894 47 H HA 0.535 5.092 4.556 0.002 0.000 0.367 47 H C -1.703 173.806 175.328 0.301 0.000 1.144 47 H CA -0.498 55.349 56.048 -0.335 0.000 1.180 47 H CB 1.306 30.341 29.762 -1.212 0.000 1.758 47 H HN 0.381 nan 8.280 nan 0.000 0.541 48 Y N -0.814 119.812 120.300 0.544 0.000 2.474 48 Y HA 0.329 4.881 4.550 0.003 0.000 0.326 48 Y C -0.033 175.835 175.900 -0.054 0.000 1.160 48 Y CA -1.101 57.213 58.100 0.357 0.000 1.056 48 Y CB 1.008 39.549 38.460 0.134 0.000 1.330 48 Y HN 0.398 nan 8.280 nan 0.000 0.447 49 K N 1.080 121.269 120.400 -0.352 0.000 2.348 49 K HA 0.178 4.500 4.320 0.002 0.000 0.194 49 K C -0.771 175.716 176.600 -0.189 0.000 1.052 49 K CA 1.032 56.834 56.287 -0.808 0.000 1.004 49 K CB 0.541 32.175 32.500 -1.443 0.000 0.873 49 K HN 0.905 nan 8.250 nan 0.000 0.523 50 D N -1.716 118.751 120.400 0.111 0.000 2.655 50 D HA 0.397 5.038 4.640 0.002 0.000 0.229 50 D C 0.508 176.916 176.300 0.180 0.000 1.229 50 D CA 0.003 54.123 54.000 0.200 0.000 0.807 50 D CB 1.042 41.992 40.800 0.249 0.000 1.514 50 D HN 0.136 nan 8.370 nan 0.000 0.444 51 G N 2.051 110.910 108.800 0.098 0.000 2.531 51 G HA2 -0.297 3.665 3.960 0.002 0.000 0.274 51 G HA3 -0.297 3.665 3.960 0.002 0.000 0.274 51 G C 0.294 175.079 174.900 -0.191 0.000 1.159 51 G CA 0.869 45.971 45.100 0.004 0.000 0.969 51 G HN 0.819 nan 8.290 nan 0.000 0.554 52 K N 0.207 120.404 120.400 -0.339 0.000 2.582 52 K HA 0.302 4.624 4.320 0.002 0.000 0.204 52 K C 0.091 176.156 176.600 -0.892 0.000 1.221 52 K CA 0.166 55.876 56.287 -0.961 0.000 1.048 52 K CB 0.321 32.350 32.500 -0.785 0.000 1.011 52 K HN 0.701 nan 8.250 nan 0.000 0.597 53 H N -1.416 117.658 119.070 0.007 0.000 2.946 53 H HA 0.588 5.146 4.556 0.002 0.000 0.365 53 H C -0.677 174.882 175.328 0.385 0.000 1.197 53 H CA -0.623 55.539 56.048 0.189 0.000 1.131 53 H CB 2.130 31.990 29.762 0.164 0.000 1.849 53 H HN 0.129 nan 8.280 nan 0.000 0.555 54 S N 0.645 116.676 115.700 0.552 0.000 2.671 54 S HA 0.410 4.881 4.470 0.002 0.000 0.277 54 S C -1.366 173.422 174.600 0.315 0.000 1.165 54 S CA -0.962 57.584 58.200 0.576 0.000 0.822 54 S CB 2.032 65.663 63.200 0.717 0.000 1.150 54 S HN 0.329 nan 8.310 nan 0.000 0.479 55 L N 1.827 123.042 121.223 -0.013 0.000 2.261 55 L HA 0.515 4.856 4.340 0.002 0.000 0.289 55 L C 0.141 177.030 176.870 0.030 0.000 1.059 55 L CA -0.027 54.629 54.840 -0.307 0.000 0.816 55 L CB 0.377 41.798 42.059 -1.064 0.000 1.191 55 L HN 0.914 nan 8.230 nan 0.000 0.431 56 E N 4.692 124.921 120.200 0.049 0.000 2.129 56 E HA 0.059 4.411 4.350 0.002 0.000 0.283 56 E C -1.571 175.000 176.600 -0.048 0.000 1.080 56 E CA -0.395 55.910 56.400 -0.158 0.000 0.867 56 E CB 0.426 30.058 29.700 -0.113 0.000 1.056 56 E HN 0.644 nan 8.360 nan 0.000 0.404 57 W N 5.783 126.926 121.300 -0.263 0.000 2.322 57 W HA 0.299 4.961 4.660 0.002 0.000 0.321 57 W C -1.161 175.300 176.519 -0.097 0.000 0.991 57 W CA -0.873 56.404 57.345 -0.113 0.000 1.448 57 W CB 0.790 30.235 29.460 -0.025 0.000 1.239 57 W HN 0.265 nan 8.180 nan 0.000 0.399 58 T N 7.696 122.093 114.554 -0.261 0.000 2.738 58 T HA 0.427 4.778 4.350 0.002 0.000 0.298 58 T C -0.594 173.817 174.700 -0.482 0.000 0.962 58 T CA -0.146 61.678 62.100 -0.460 0.000 0.972 58 T CB -0.262 68.427 68.868 -0.298 0.000 0.928 58 T HN 0.241 nan 8.240 nan 0.000 0.474 59 F N 0.295 119.861 119.950 -0.640 0.000 2.492 59 F HA 0.791 5.320 4.527 0.002 0.000 0.327 59 F C 0.153 175.760 175.800 -0.322 0.000 1.079 59 F CA -1.432 56.228 58.000 -0.567 0.000 0.967 59 F CB 1.076 39.509 39.000 -0.946 0.000 1.169 59 F HN 0.298 nan 8.300 nan 0.000 0.472 60 E N 1.676 121.886 120.200 0.016 0.000 2.280 60 E HA 0.340 4.691 4.350 0.002 0.000 0.261 60 E C -2.543 174.123 176.600 0.111 0.000 1.088 60 E CA -2.146 54.263 56.400 0.015 0.000 0.915 60 E CB 0.531 30.229 29.700 -0.002 0.000 1.141 60 E HN 0.373 nan 8.360 nan 0.000 0.433 61 P HA -0.049 nan 4.420 nan 0.000 0.261 61 P C -1.006 176.308 177.300 0.024 0.000 1.183 61 P CA 0.787 63.920 63.100 0.055 0.000 0.761 61 P CB 0.061 31.773 31.700 0.020 0.000 0.785 62 N N -0.396 118.297 118.700 -0.011 0.000 2.782 62 N HA -0.158 4.584 4.740 0.002 0.000 0.251 62 N C 0.564 176.067 175.510 -0.010 0.000 1.101 62 N CA 0.598 53.629 53.050 -0.033 0.000 0.764 62 N CB -1.630 36.845 38.487 -0.021 0.000 1.122 62 N HN 0.614 nan 8.380 nan 0.000 0.561 63 G N 0.066 108.875 108.800 0.014 0.000 2.527 63 G HA2 0.480 4.441 3.960 0.002 0.000 0.248 63 G HA3 0.480 4.441 3.960 0.002 0.000 0.248 63 G C -0.014 174.998 174.900 0.187 0.000 1.231 63 G CA -0.359 44.801 45.100 0.100 0.000 0.838 63 G HN 0.180 nan 8.290 nan 0.000 0.570 64 R N 0.099 120.706 120.500 0.178 0.000 2.664 64 R HA 0.538 4.879 4.340 0.002 0.000 0.286 64 R C -0.905 175.400 176.300 0.010 0.000 0.967 64 R CA -0.840 55.302 56.100 0.070 0.000 0.933 64 R CB 2.329 32.602 30.300 -0.045 0.000 1.146 64 R HN 0.425 nan 8.270 nan 0.000 0.468 65 L N 1.792 122.778 121.223 -0.394 0.000 2.305 65 L HA 0.384 4.725 4.340 0.002 0.000 0.284 65 L C -0.841 175.773 176.870 -0.426 0.000 1.013 65 L CA -0.285 54.193 54.840 -0.602 0.000 0.819 65 L CB 1.189 42.441 42.059 -1.346 0.000 1.227 65 L HN 0.601 nan 8.230 nan 0.000 0.417 66 E N 6.434 126.472 120.200 -0.270 0.000 2.165 66 E HA 0.304 4.656 4.350 0.002 0.000 0.266 66 E C -1.202 175.293 176.600 -0.175 0.000 0.889 66 E CA -0.622 55.653 56.400 -0.208 0.000 0.756 66 E CB 2.927 32.547 29.700 -0.133 0.000 1.131 66 E HN 0.526 nan 8.360 nan 0.000 0.411 67 L N 3.782 124.893 121.223 -0.186 0.000 2.295 67 L HA 0.368 4.709 4.340 0.002 0.000 0.281 67 L C -0.451 176.367 176.870 -0.088 0.000 1.018 67 L CA -0.522 54.223 54.840 -0.158 0.000 0.841 67 L CB 0.394 42.304 42.059 -0.247 0.000 1.218 67 L HN 0.358 nan 8.230 nan 0.000 0.424 68 R N 5.416 125.896 120.500 -0.034 0.000 2.522 68 R HA 0.375 4.717 4.340 0.002 0.000 0.290 68 R C -0.893 175.436 176.300 0.049 0.000 1.216 68 R CA -0.274 55.828 56.100 0.003 0.000 1.250 68 R CB 0.710 31.011 30.300 0.002 0.000 1.143 68 R HN 0.439 nan 8.270 nan 0.000 0.553 69 K N 0.889 121.331 120.400 0.070 0.000 2.551 69 K HA 0.088 4.409 4.320 0.002 0.000 0.269 69 K C -1.352 175.316 176.600 0.114 0.000 0.949 69 K CA -0.800 55.556 56.287 0.116 0.000 0.849 69 K CB 1.794 34.419 32.500 0.208 0.000 1.411 69 K HN 0.205 nan 8.250 nan 0.000 0.432 70 D N 3.834 124.296 120.400 0.104 0.000 2.479 70 D HA -0.020 4.621 4.640 0.002 0.000 0.257 70 D C 1.053 177.434 176.300 0.134 0.000 1.230 70 D CA 0.439 54.498 54.000 0.099 0.000 0.912 70 D CB 0.694 41.538 40.800 0.073 0.000 1.130 70 D HN 0.478 nan 8.370 nan 0.000 0.515 71 L N 3.880 125.193 121.223 0.151 0.000 2.376 71 L HA -0.095 4.246 4.340 0.002 0.000 0.219 71 L C 1.366 178.342 176.870 0.177 0.000 1.133 71 L CA 0.382 55.346 54.840 0.208 0.000 0.816 71 L CB -0.304 41.907 42.059 0.253 0.000 0.933 71 L HN 0.484 nan 8.230 nan 0.000 0.449 72 K N 0.152 120.623 120.400 0.118 0.000 3.096 72 K HA -0.251 4.070 4.320 0.002 0.000 0.266 72 K C 0.017 176.644 176.600 0.046 0.000 1.043 72 K CA 0.479 56.806 56.287 0.065 0.000 0.758 72 K CB -2.264 30.269 32.500 0.055 0.000 1.260 72 K HN 0.270 nan 8.250 nan 0.000 0.481 73 F N 1.816 121.689 119.950 -0.130 0.000 2.484 73 F HA 0.121 4.649 4.527 0.002 0.000 0.360 73 F C 0.423 176.125 175.800 -0.164 0.000 1.101 73 F CA 0.061 57.905 58.000 -0.261 0.000 1.251 73 F CB 0.647 39.314 39.000 -0.554 0.000 1.132 73 F HN 0.034 nan 8.300 nan 0.000 0.570 74 E N 5.575 125.201 120.200 -0.957 0.000 2.210 74 E HA 0.221 4.573 4.350 0.002 0.000 0.266 74 E C -0.902 175.025 176.600 -1.120 0.000 0.883 74 E CA -1.144 54.718 56.400 -0.898 0.000 0.761 74 E CB 1.830 31.296 29.700 -0.389 0.000 1.156 74 E HN 0.589 nan 8.360 nan 0.000 0.412 75 K N 2.484 122.357 120.400 -0.878 0.000 2.414 75 K HA 0.003 4.324 4.320 0.002 0.000 0.272 75 K C 0.296 176.774 176.600 -0.202 0.000 0.993 75 K CA 0.171 56.207 56.287 -0.418 0.000 0.964 75 K CB 0.414 32.798 32.500 -0.193 0.000 0.925 75 K HN 0.453 nan 8.250 nan 0.000 0.487 76 K N 1.415 121.779 120.400 -0.060 0.000 2.440 76 K HA -0.064 4.258 4.320 0.002 0.000 0.270 76 K C -0.136 176.444 176.600 -0.034 0.000 0.980 76 K CA -0.415 55.861 56.287 -0.019 0.000 0.953 76 K CB 0.366 32.884 32.500 0.031 0.000 0.925 76 K HN 0.400 nan 8.250 nan 0.000 0.497 77 D N 3.071 123.455 120.400 -0.027 0.000 2.451 77 D HA -0.007 4.634 4.640 0.002 0.000 0.254 77 D C -1.227 175.060 176.300 -0.021 0.000 1.204 77 D CA -1.899 52.082 54.000 -0.032 0.000 0.896 77 D CB 0.906 41.688 40.800 -0.030 0.000 1.136 77 D HN 0.396 nan 8.370 nan 0.000 0.499 78 P HA -0.129 nan 4.420 nan 0.000 0.222 78 P C 1.100 178.392 177.300 -0.013 0.000 1.147 78 P CA 1.041 64.131 63.100 -0.016 0.000 0.790 78 P CB -0.074 31.614 31.700 -0.019 0.000 0.780 79 T N -4.674 109.870 114.554 -0.017 0.000 2.985 79 T HA 0.202 4.553 4.350 0.002 0.000 0.266 79 T C 1.745 176.439 174.700 -0.011 0.000 1.076 79 T CA 1.127 63.218 62.100 -0.015 0.000 1.135 79 T CB -0.972 67.884 68.868 -0.019 0.000 0.890 79 T HN 0.246 nan 8.240 nan 0.000 0.480 80 G N 1.324 110.119 108.800 -0.009 0.000 2.195 80 G HA2 -0.312 3.650 3.960 0.002 0.000 0.246 80 G HA3 -0.312 3.650 3.960 0.002 0.000 0.246 80 G C 0.898 175.795 174.900 -0.006 0.000 0.984 80 G CA 0.529 45.627 45.100 -0.004 0.000 0.633 80 G HN 0.550 nan 8.290 nan 0.000 0.525 81 K N 0.069 120.460 120.400 -0.014 0.000 2.032 81 K HA -0.064 4.257 4.320 0.002 0.000 0.209 81 K C 0.889 177.476 176.600 -0.022 0.000 1.048 81 K CA 1.427 57.702 56.287 -0.020 0.000 0.927 81 K CB -0.052 32.430 32.500 -0.030 0.000 0.712 81 K HN 0.427 nan 8.250 nan 0.000 0.441 82 D N -0.191 120.193 120.400 -0.027 0.000 2.280 82 D HA 0.120 4.761 4.640 0.002 0.000 0.236 82 D C 0.229 176.549 176.300 0.034 0.000 1.082 82 D CA -0.099 53.883 54.000 -0.030 0.000 0.834 82 D CB 1.143 41.896 40.800 -0.078 0.000 1.100 82 D HN -0.055 nan 8.370 nan 0.000 0.486 83 L N 3.042 124.328 121.223 0.106 0.000 2.585 83 L HA 0.160 4.502 4.340 0.002 0.000 0.226 83 L C 0.162 177.150 176.870 0.197 0.000 1.113 83 L CA -0.253 54.664 54.840 0.128 0.000 0.876 83 L CB -0.108 42.011 42.059 0.101 0.000 1.072 83 L HN 0.424 nan 8.230 nan 0.000 0.468 84 Y N 0.915 121.196 120.300 -0.031 0.000 2.610 84 Y HA 0.143 4.695 4.550 0.003 0.000 0.332 84 Y C 0.207 176.099 175.900 -0.014 0.000 1.201 84 Y CA -0.434 57.648 58.100 -0.030 0.000 1.465 84 Y CB 0.258 38.686 38.460 -0.053 0.000 1.283 84 Y HN -0.139 nan 8.280 nan 0.000 0.563 85 L N 2.080 123.358 121.223 0.092 0.000 2.334 85 L HA 0.338 4.679 4.340 0.002 0.000 0.276 85 L C 0.144 177.082 176.870 0.113 0.000 1.014 85 L CA -0.650 54.246 54.840 0.093 0.000 0.815 85 L CB 1.837 43.938 42.059 0.071 0.000 1.268 85 L HN 0.592 nan 8.230 nan 0.000 0.428 86 S N 2.046 117.849 115.700 0.171 0.000 2.516 86 S HA 0.699 5.171 4.470 0.002 0.000 0.282 86 S C -0.222 174.583 174.600 0.342 0.000 1.286 86 S CA -0.191 58.151 58.200 0.237 0.000 1.066 86 S CB 0.104 63.475 63.200 0.284 0.000 0.884 86 S HN 0.777 nan 8.310 nan 0.000 0.491 87 A N 4.512 127.478 122.820 0.244 0.000 2.401 87 A HA 0.741 5.062 4.320 0.002 0.000 0.310 87 A C -1.035 176.646 177.584 0.162 0.000 1.075 87 A CA -0.736 51.386 52.037 0.143 0.000 0.746 87 A CB 0.913 19.910 19.000 -0.005 0.000 1.277 87 A HN 0.873 nan 8.150 nan 0.000 0.425 88 F N 1.832 121.681 119.950 -0.169 0.000 2.404 88 F HA 0.755 5.284 4.527 0.002 0.000 0.339 88 F C -0.640 175.068 175.800 -0.154 0.000 1.105 88 F CA -0.759 57.176 58.000 -0.109 0.000 1.087 88 F CB 0.733 39.593 39.000 -0.235 0.000 1.143 88 F HN 0.387 nan 8.300 nan 0.000 0.491 89 I N 7.275 127.318 120.570 -0.878 0.000 2.499 89 I HA 0.506 4.678 4.170 0.002 0.000 0.288 89 I C -1.198 174.521 176.117 -0.663 0.000 1.048 89 I CA -0.946 59.934 61.300 -0.700 0.000 1.062 89 I CB 1.931 39.518 38.000 -0.688 0.000 1.238 89 I HN 0.530 nan 8.210 nan 0.000 0.426 90 V N 1.325 121.008 119.914 -0.386 0.000 3.114 90 V HA 0.611 4.733 4.120 0.002 0.000 0.308 90 V C -1.838 174.274 176.094 0.030 0.000 1.168 90 V CA -0.895 61.367 62.300 -0.063 0.000 1.015 90 V CB 2.046 33.876 31.823 0.011 0.000 1.050 90 V HN 0.697 nan 8.190 nan 0.000 0.433 91 W N 2.122 123.610 121.300 0.315 0.000 2.532 91 W HA 0.821 5.482 4.660 0.001 0.000 0.321 91 W C -0.647 176.290 176.519 0.695 0.000 1.037 91 W CA -0.533 57.066 57.345 0.424 0.000 1.220 91 W CB 1.870 31.445 29.460 0.191 0.000 1.361 91 W HN 0.409 nan 8.180 nan 0.000 0.468 92 I N 3.756 124.867 120.570 0.902 0.000 2.441 92 I HA 0.273 4.444 4.170 0.002 0.000 0.295 92 I C -0.937 175.683 176.117 0.839 0.000 0.994 92 I CA -1.397 60.409 61.300 0.843 0.000 1.144 92 I CB 1.259 39.655 38.000 0.661 0.000 1.314 92 I HN 0.349 nan 8.210 nan 0.000 0.445 93 Y N 5.717 126.196 120.300 0.298 0.000 2.377 93 Y HA 0.412 4.964 4.550 0.002 0.000 0.339 93 Y C -0.322 175.642 175.900 0.106 0.000 1.011 93 Y CA -0.504 57.480 58.100 -0.194 0.000 1.093 93 Y CB 1.601 39.307 38.460 -1.256 0.000 1.201 93 Y HN 0.632 nan 8.280 nan 0.000 0.455 94 N N 4.102 122.699 118.700 -0.172 0.000 2.346 94 N HA 0.188 4.929 4.740 0.002 0.000 0.289 94 N C -0.088 175.314 175.510 -0.181 0.000 1.027 94 N CA -0.365 52.610 53.050 -0.125 0.000 0.864 94 N CB 1.368 39.561 38.487 -0.490 0.000 1.370 94 N HN 0.840 nan 8.380 nan 0.000 0.481 95 E N 1.178 121.440 120.200 0.103 0.000 2.170 95 E HA 0.001 4.352 4.350 0.002 0.000 0.191 95 E C -0.195 176.417 176.600 0.020 0.000 0.981 95 E CA 0.800 57.278 56.400 0.129 0.000 0.830 95 E CB 0.428 30.283 29.700 0.259 0.000 0.775 95 E HN 0.538 nan 8.360 nan 0.000 0.470 96 Q N 1.172 120.955 119.800 -0.028 0.000 2.363 96 Q HA 0.268 4.609 4.340 0.002 0.000 0.265 96 Q C -2.592 173.343 176.000 -0.108 0.000 1.032 96 Q CA -2.200 53.570 55.803 -0.054 0.000 0.746 96 Q CB 1.993 30.701 28.738 -0.050 0.000 1.237 96 Q HN -0.036 nan 8.270 nan 0.000 0.475 97 P HA -0.027 nan 4.420 nan 0.000 0.268 97 P C -0.987 176.251 177.300 -0.103 0.000 1.204 97 P CA 0.289 63.300 63.100 -0.147 0.000 0.768 97 P CB 0.612 32.259 31.700 -0.088 0.000 0.842 98 Q N 1.206 120.938 119.800 -0.113 0.000 2.337 98 Q HA 0.189 4.530 4.340 0.002 0.000 0.270 98 Q C -0.665 175.309 176.000 -0.043 0.000 1.043 98 Q CA -0.689 55.078 55.803 -0.060 0.000 0.794 98 Q CB 1.764 30.479 28.738 -0.038 0.000 1.281 98 Q HN 0.320 nan 8.270 nan 0.000 0.446 99 D N 1.995 122.382 120.400 -0.021 0.000 2.745 99 D HA 0.294 4.935 4.640 0.002 0.000 0.229 99 D C -1.050 175.251 176.300 0.002 0.000 1.088 99 D CA 0.325 54.321 54.000 -0.006 0.000 1.054 99 D CB -0.297 40.502 40.800 -0.001 0.000 1.132 99 D HN 0.584 nan 8.370 nan 0.000 0.464 100 A N 0.102 122.923 122.820 0.002 0.000 2.529 100 A HA 0.888 5.210 4.320 0.002 0.000 0.296 100 A C -1.508 176.093 177.584 0.029 0.000 1.205 100 A CA -0.328 51.717 52.037 0.013 0.000 0.671 100 A CB 1.296 20.303 19.000 0.010 0.000 1.301 100 A HN 0.330 nan 8.150 nan 0.000 0.450 101 A N 0.093 122.937 122.820 0.041 0.000 2.455 101 A HA 0.661 4.982 4.320 0.002 0.000 0.300 101 A C -0.901 176.727 177.584 0.073 0.000 1.040 101 A CA -0.412 51.676 52.037 0.085 0.000 0.697 101 A CB 0.742 19.802 19.000 0.100 0.000 1.265 101 A HN 0.715 nan 8.150 nan 0.000 0.407 102 I N 1.144 121.802 120.570 0.148 0.000 2.638 102 I HA 0.315 4.487 4.170 0.002 0.000 0.286 102 I C 0.385 176.519 176.117 0.029 0.000 1.088 102 I CA 0.094 61.429 61.300 0.059 0.000 1.397 102 I CB 1.429 39.508 38.000 0.132 0.000 1.414 102 I HN 0.838 nan 8.210 nan 0.000 0.566 103 E N 4.384 124.500 120.200 -0.140 0.000 2.158 103 E HA 0.396 4.748 4.350 0.002 0.000 0.271 103 E C -1.511 174.844 176.600 -0.408 0.000 0.911 103 E CA -0.359 55.939 56.400 -0.169 0.000 0.767 103 E CB 0.888 30.512 29.700 -0.127 0.000 1.120 103 E HN 0.194 nan 8.360 nan 0.000 0.405 104 F N 2.869 122.523 119.950 -0.494 0.000 2.405 104 F HA 0.342 4.870 4.527 0.002 0.000 0.355 104 F C 0.390 175.870 175.800 -0.533 0.000 1.121 104 F CA -0.253 57.317 58.000 -0.717 0.000 1.112 104 F CB 1.220 39.438 39.000 -1.304 0.000 1.126 104 F HN 0.359 nan 8.300 nan 0.000 0.481 105 E N 3.792 123.725 120.200 -0.444 0.000 2.222 105 E HA 0.454 4.805 4.350 0.002 0.000 0.267 105 E C -1.515 174.808 176.600 -0.462 0.000 0.884 105 E CA -0.813 55.428 56.400 -0.266 0.000 0.764 105 E CB 2.173 31.752 29.700 -0.202 0.000 1.169 105 E HN 0.293 nan 8.360 nan 0.000 0.413 106 F N 2.755 122.650 119.950 -0.092 0.000 2.477 106 F HA 0.430 4.958 4.527 0.002 0.000 0.335 106 F C -0.387 175.391 175.800 -0.037 0.000 1.130 106 F CA -0.777 57.194 58.000 -0.049 0.000 0.948 106 F CB 0.944 39.954 39.000 0.016 0.000 1.154 106 F HN 0.145 nan 8.300 nan 0.000 0.439 107 L N 2.223 123.499 121.223 0.087 0.000 2.370 107 L HA 0.620 4.961 4.340 0.002 0.000 0.266 107 L C -0.664 176.234 176.870 0.048 0.000 1.002 107 L CA -1.124 53.743 54.840 0.044 0.000 0.818 107 L CB 2.369 44.424 42.059 -0.005 0.000 1.325 107 L HN 0.477 nan 8.230 nan 0.000 0.418 108 K N 2.025 122.448 120.400 0.038 0.000 2.293 108 K HA 0.227 4.549 4.320 0.002 0.000 0.267 108 K C -0.402 176.211 176.600 0.022 0.000 1.010 108 K CA -0.242 56.066 56.287 0.035 0.000 0.875 108 K CB 0.812 33.334 32.500 0.037 0.000 1.106 108 K HN 0.758 nan 8.250 nan 0.000 0.450 109 D N 2.473 122.884 120.400 0.019 0.000 4.565 109 D HA -0.289 4.352 4.640 0.002 0.000 0.225 109 D C 0.939 177.241 176.300 0.003 0.000 0.678 109 D CA 2.478 56.485 54.000 0.011 0.000 1.701 109 D CB -0.980 39.827 40.800 0.012 0.000 1.028 109 D HN 0.718 nan 8.370 nan 0.000 0.400 110 G N 0.773 109.575 108.800 0.002 0.000 2.853 110 G HA2 0.167 4.128 3.960 0.002 0.000 0.202 110 G HA3 0.167 4.128 3.960 0.002 0.000 0.202 110 G C 0.324 175.220 174.900 -0.006 0.000 1.118 110 G CA 0.398 45.496 45.100 -0.004 0.000 0.831 110 G HN 0.460 nan 8.290 nan 0.000 0.613 111 R N 1.273 121.773 120.500 -0.001 0.000 2.441 111 R HA 0.491 4.833 4.340 0.002 0.000 0.284 111 R C -0.019 176.283 176.300 0.004 0.000 1.070 111 R CA -0.693 55.406 56.100 -0.001 0.000 1.047 111 R CB 0.720 31.021 30.300 0.002 0.000 1.016 111 R HN 0.298 nan 8.270 nan 0.000 0.477 112 K N 1.310 121.710 120.400 0.000 0.000 2.270 112 K HA 0.160 4.482 4.320 0.002 0.000 0.276 112 K C -0.487 176.126 176.600 0.021 0.000 1.023 112 K CA -0.714 55.580 56.287 0.011 0.000 0.955 112 K CB 1.136 33.635 32.500 -0.002 0.000 0.975 112 K HN 0.737 nan 8.250 nan 0.000 0.471 113 C N 1.941 121.265 119.300 0.041 0.000 2.478 113 C HA 0.439 4.900 4.460 0.002 0.000 0.397 113 C C 0.649 175.653 174.990 0.023 0.000 1.360 113 C CA 0.083 59.116 59.018 0.024 0.000 2.191 113 C CB -0.084 27.664 27.740 0.013 0.000 2.654 113 C HN 0.913 nan 8.230 nan 0.000 0.548 114 A N 0.971 123.830 122.820 0.065 0.000 2.435 114 A HA 0.795 5.116 4.320 0.002 0.000 0.304 114 A C -0.507 177.177 177.584 0.168 0.000 1.064 114 A CA 0.049 52.119 52.037 0.055 0.000 0.727 114 A CB 1.151 20.128 19.000 -0.039 0.000 1.284 114 A HN 0.639 nan 8.150 nan 0.000 0.415 115 S N 0.031 115.800 115.700 0.116 0.000 2.579 115 S HA 0.889 5.360 4.470 0.002 0.000 0.272 115 S C -0.905 173.785 174.600 0.149 0.000 1.141 115 S CA -0.640 57.643 58.200 0.138 0.000 0.843 115 S CB 1.393 64.612 63.200 0.033 0.000 1.122 115 S HN 1.917 nan 8.310 nan 0.000 0.468 116 F N -1.018 118.979 119.950 0.078 0.000 2.615 116 F HA 0.849 5.377 4.527 0.002 0.000 0.312 116 F C -3.367 172.534 175.800 0.169 0.000 1.119 116 F CA -2.270 55.711 58.000 -0.032 0.000 0.979 116 F CB 1.440 40.432 39.000 -0.013 0.000 1.266 116 F HN 0.454 nan 8.300 nan 0.000 0.444 117 P HA 0.318 nan 4.420 nan 0.000 0.277 117 P C -1.497 176.229 177.300 0.711 0.000 1.240 117 P CA 0.015 63.317 63.100 0.337 0.000 0.798 117 P CB 1.640 33.465 31.700 0.207 0.000 0.979 118 F N 1.267 121.461 119.950 0.407 0.000 2.745 118 F HA 0.498 5.027 4.527 0.003 0.000 0.343 118 F C 0.164 176.159 175.800 0.326 0.000 1.196 118 F CA -0.312 57.973 58.000 0.475 0.000 1.021 118 F CB 1.180 40.573 39.000 0.655 0.000 1.297 118 F HN 0.402 nan 8.300 nan 0.000 0.486 119 G N 5.260 113.996 108.800 -0.106 0.000 2.432 119 G HA2 0.361 4.322 3.960 0.002 0.000 0.239 119 G HA3 0.361 4.322 3.960 0.002 0.000 0.239 119 G C 0.201 175.095 174.900 -0.010 0.000 1.291 119 G CA -0.327 44.742 45.100 -0.052 0.000 0.863 119 G HN 0.920 nan 8.290 nan 0.000 0.560 120 I N -0.680 119.906 120.570 0.026 0.000 3.491 120 I HA 0.309 4.480 4.170 0.002 0.000 0.332 120 I C 0.306 176.215 176.117 -0.347 0.000 1.565 120 I CA -0.748 60.436 61.300 -0.192 0.000 1.050 120 I CB 0.682 38.631 38.000 -0.086 0.000 1.348 120 I HN 0.243 nan 8.210 nan 0.000 0.506 121 N N 3.226 121.862 118.700 -0.107 0.000 3.331 121 N HA 0.245 4.986 4.740 0.002 0.000 0.303 121 N C -1.076 174.452 175.510 0.031 0.000 1.326 121 N CA -0.094 52.918 53.050 -0.065 0.000 1.207 121 N CB 0.006 38.493 38.487 0.001 0.000 1.477 121 N HN 0.563 nan 8.380 nan 0.000 0.541 122 F N -1.329 118.595 119.950 -0.043 0.000 2.686 122 F HA 0.565 5.093 4.527 0.001 0.000 0.311 122 F C -0.838 174.903 175.800 -0.098 0.000 1.128 122 F CA -1.357 56.603 58.000 -0.068 0.000 0.946 122 F CB 1.168 40.122 39.000 -0.077 0.000 1.336 122 F HN -0.228 nan 8.300 nan 0.000 0.457 123 K N 1.777 122.278 120.400 0.169 0.000 2.450 123 K HA 0.669 4.990 4.320 0.002 0.000 0.257 123 K C -0.096 176.455 176.600 -0.082 0.000 0.953 123 K CA 0.077 56.355 56.287 -0.015 0.000 0.844 123 K CB 1.245 33.737 32.500 -0.014 0.000 1.103 123 K HN 1.499 nan 8.250 nan 0.000 0.429 124 G N 3.329 111.825 108.800 -0.506 0.000 2.384 124 G HA2 -0.178 3.784 3.960 0.002 0.000 0.204 124 G HA3 -0.178 3.784 3.960 0.002 0.000 0.204 124 G C -1.717 172.721 174.900 -0.769 0.000 1.237 124 G CA -0.868 43.731 45.100 -0.834 0.000 1.060 124 G HN 0.560 nan 8.290 nan 0.000 0.514 125 W N 1.324 122.526 121.300 -0.163 0.000 2.315 125 W HA 0.768 5.429 4.660 0.002 0.000 0.316 125 W C 0.716 177.291 176.519 0.093 0.000 1.211 125 W CA -0.451 56.990 57.345 0.161 0.000 1.201 125 W CB 1.192 30.796 29.460 0.240 0.000 1.184 125 W HN 0.391 nan 8.180 nan 0.000 0.544 126 R N 1.974 122.690 120.500 0.360 0.000 2.725 126 R HA 0.746 5.087 4.340 0.002 0.000 0.277 126 R C -0.574 175.769 176.300 0.072 0.000 0.987 126 R CA -1.159 54.945 56.100 0.006 0.000 0.901 126 R CB 1.515 31.369 30.300 -0.744 0.000 1.207 126 R HN 0.557 nan 8.270 nan 0.000 0.463 127 A N 0.803 123.361 122.820 -0.437 0.000 2.288 127 A HA 0.911 5.233 4.320 0.002 0.000 0.328 127 A C -0.981 176.513 177.584 -0.150 0.000 1.123 127 A CA -0.398 51.164 52.037 -0.792 0.000 0.861 127 A CB 1.460 19.473 19.000 -1.644 0.000 1.272 127 A HN 0.712 nan 8.150 nan 0.000 0.490 128 A N -0.108 122.672 122.820 -0.066 0.000 2.466 128 A HA 0.556 4.877 4.320 0.002 0.000 0.284 128 A C -2.016 175.646 177.584 0.129 0.000 1.049 128 A CA -0.282 51.801 52.037 0.078 0.000 0.760 128 A CB 0.482 19.640 19.000 0.263 0.000 1.274 128 A HN 0.726 nan 8.150 nan 0.000 0.412 129 W N 2.377 123.528 121.300 -0.248 0.000 2.294 129 W HA 0.580 5.241 4.660 0.003 0.000 0.314 129 W C -0.631 175.732 176.519 -0.260 0.000 1.044 129 W CA -0.943 56.270 57.345 -0.221 0.000 1.284 129 W CB 1.698 31.057 29.460 -0.168 0.000 1.231 129 W HN 0.403 nan 8.180 nan 0.000 0.419 130 V N 4.097 123.945 119.914 -0.111 0.000 2.483 130 V HA 0.275 4.396 4.120 0.002 0.000 0.297 130 V C -0.132 175.830 176.094 -0.221 0.000 1.027 130 V CA -1.026 61.108 62.300 -0.275 0.000 0.855 130 V CB 1.432 32.819 31.823 -0.727 0.000 0.995 130 V HN 0.474 nan 8.190 nan 0.000 0.424 131 C N 4.600 123.823 119.300 -0.128 0.000 2.499 131 C HA 0.252 4.714 4.460 0.002 0.000 0.386 131 C C 1.630 176.564 174.990 -0.094 0.000 1.293 131 C CA -0.308 58.681 59.018 -0.049 0.000 1.884 131 C CB -0.600 27.149 27.740 0.014 0.000 2.509 131 C HN 0.927 nan 8.230 nan 0.000 0.566 132 Y N 1.192 121.431 120.300 -0.102 0.000 2.151 132 Y HA -0.214 4.337 4.550 0.003 0.000 0.284 132 Y C 2.231 178.029 175.900 -0.169 0.000 1.166 132 Y CA 2.141 60.093 58.100 -0.246 0.000 1.163 132 Y CB -0.074 38.124 38.460 -0.435 0.000 0.974 132 Y HN 0.727 nan 8.280 nan 0.000 0.511 133 E N -0.964 119.304 120.200 0.113 0.000 2.122 133 E HA -0.089 4.263 4.350 0.002 0.000 0.190 133 E C 2.235 178.859 176.600 0.040 0.000 0.977 133 E CA 0.564 57.014 56.400 0.082 0.000 0.820 133 E CB 0.013 29.796 29.700 0.138 0.000 0.770 133 E HN 0.289 nan 8.360 nan 0.000 0.462 134 R N 0.604 121.125 120.500 0.034 0.000 2.087 134 R HA -0.008 4.333 4.340 0.002 0.000 0.216 134 R C 0.155 176.469 176.300 0.023 0.000 1.114 134 R CA 0.663 56.777 56.100 0.024 0.000 1.002 134 R CB 0.364 30.676 30.300 0.020 0.000 0.903 134 R HN 0.037 nan 8.270 nan 0.000 0.445 138 G N 1.013 109.798 108.800 -0.026 0.000 2.499 138 G HA2 -0.099 3.863 3.960 0.002 0.000 0.232 138 G HA3 -0.099 3.863 3.960 0.002 0.000 0.232 138 G C -1.093 173.796 174.900 -0.018 0.000 1.251 138 G CA -0.233 44.857 45.100 -0.016 0.000 0.917 138 G HN 1.029 nan 8.290 nan 0.000 0.580 139 T N 3.055 117.598 114.554 -0.017 0.000 2.937 139 T HA 0.655 5.006 4.350 0.002 0.000 0.297 139 T C -2.720 171.950 174.700 -0.049 0.000 0.991 139 T CA -0.429 61.659 62.100 -0.020 0.000 0.990 139 T CB 2.687 71.555 68.868 0.001 0.000 0.991 139 T HN 0.676 nan 8.240 nan 0.000 0.440 140 P HA 0.409 nan 4.420 nan 0.000 0.275 140 P C -0.748 176.465 177.300 -0.144 0.000 1.228 140 P CA -0.428 62.496 63.100 -0.293 0.000 0.786 140 P CB 1.165 32.444 31.700 -0.702 0.000 0.927 141 E N 0.430 120.570 120.200 -0.101 0.000 2.248 141 E HA 0.233 4.584 4.350 0.002 0.000 0.267 141 E C -0.812 175.957 176.600 0.282 0.000 0.877 141 E CA -0.795 55.678 56.400 0.121 0.000 0.759 141 E CB 1.889 31.625 29.700 0.061 0.000 1.182 141 E HN 0.425 nan 8.360 nan 0.000 0.418 142 E N 1.507 121.895 120.200 0.313 0.000 2.328 142 E HA 0.332 4.683 4.350 0.002 0.000 0.265 142 E C 0.076 176.744 176.600 0.114 0.000 1.057 142 E CA 0.682 57.201 56.400 0.199 0.000 0.916 142 E CB 0.324 30.025 29.700 0.001 0.000 0.993 142 E HN 0.722 nan 8.360 nan 0.000 0.446 146 E N 1.251 121.474 120.200 0.038 0.000 2.335 146 E HA 0.379 4.731 4.350 0.002 0.000 0.280 146 E C -2.145 174.402 176.600 -0.087 0.000 0.918 146 E CA -0.802 55.584 56.400 -0.023 0.000 0.765 146 E CB 2.487 32.164 29.700 -0.038 0.000 1.218 146 E HN 0.187 nan 8.360 nan 0.000 0.425 147 L N 4.029 125.147 121.223 -0.174 0.000 2.319 147 L HA 0.542 4.883 4.340 0.002 0.000 0.281 147 L C -1.211 175.435 176.870 -0.374 0.000 1.005 147 L CA -0.237 54.381 54.840 -0.370 0.000 0.828 147 L CB 1.257 43.118 42.059 -0.329 0.000 1.227 147 L HN 0.482 nan 8.230 nan 0.000 0.415 148 R N 5.258 125.494 120.500 -0.440 0.000 2.393 148 R HA 0.640 4.981 4.340 0.002 0.000 0.310 148 R C -1.019 174.956 176.300 -0.541 0.000 0.968 148 R CA -0.566 55.294 56.100 -0.400 0.000 0.867 148 R CB 1.439 31.565 30.300 -0.291 0.000 1.124 148 R HN 0.666 nan 8.270 nan 0.000 0.450 149 I N 4.166 124.374 120.570 -0.604 0.000 2.428 149 I HA 0.198 4.370 4.170 0.002 0.000 0.279 149 I C -0.467 175.355 176.117 -0.491 0.000 1.040 149 I CA -0.781 60.047 61.300 -0.785 0.000 1.171 149 I CB 1.640 38.992 38.000 -1.080 0.000 1.312 149 I HN 0.210 nan 8.210 nan 0.000 0.470 150 V N 5.607 125.312 119.914 -0.348 0.000 2.432 150 V HA 0.383 4.505 4.120 0.002 0.000 0.271 150 V C 0.971 176.978 176.094 -0.144 0.000 1.046 150 V CA -0.448 61.745 62.300 -0.178 0.000 0.945 150 V CB 1.048 32.775 31.823 -0.159 0.000 0.992 150 V HN 0.789 nan 8.190 nan 0.000 0.471 151 A N 9.020 131.761 122.820 -0.132 0.000 2.366 151 A HA 0.630 4.951 4.320 0.002 0.000 0.249 151 A C -1.742 175.689 177.584 -0.256 0.000 1.084 151 A CA -1.022 50.762 52.037 -0.422 0.000 0.794 151 A CB -0.088 18.333 19.000 -0.964 0.000 1.034 151 A HN 0.691 nan 8.150 nan 0.000 0.491 152 P HA 0.083 nan 4.420 nan 0.000 0.286 152 P C -0.394 176.873 177.300 -0.055 0.000 1.293 152 P CA -0.291 62.753 63.100 -0.094 0.000 0.770 152 P CB 0.453 32.123 31.700 -0.049 0.000 1.206 153 D N -0.793 119.593 120.400 -0.023 0.000 2.841 153 D HA 0.351 4.992 4.640 0.002 0.000 0.244 153 D C -0.368 175.938 176.300 0.009 0.000 1.228 153 D CA 0.202 54.197 54.000 -0.008 0.000 0.872 153 D CB -1.018 39.777 40.800 -0.009 0.000 1.082 153 D HN 0.365 nan 8.370 nan 0.000 0.457 154 A N 0.519 123.360 122.820 0.036 0.000 2.606 154 A HA 0.488 4.809 4.320 0.002 0.000 0.293 154 A C -0.410 177.249 177.584 0.126 0.000 1.082 154 A CA -0.995 51.073 52.037 0.051 0.000 0.685 154 A CB 1.304 20.326 19.000 0.036 0.000 1.284 154 A HN 0.154 nan 8.150 nan 0.000 0.408 155 K N 0.439 120.855 120.400 0.027 0.000 2.107 155 K HA 0.770 5.091 4.320 0.002 0.000 0.251 155 K C 0.290 176.713 176.600 -0.295 0.000 1.012 155 K CA 0.228 56.455 56.287 -0.100 0.000 0.920 155 K CB 1.141 33.547 32.500 -0.157 0.000 1.033 155 K HN 1.942 nan 8.250 nan 0.000 0.478 156 G N -0.040 108.210 108.800 -0.915 0.000 2.324 156 G HA2 0.207 4.168 3.960 0.002 0.000 0.293 156 G HA3 0.207 4.168 3.960 0.002 0.000 0.293 156 G C -1.861 172.095 174.900 -1.574 0.000 1.297 156 G CA -1.000 43.519 45.100 -0.969 0.000 0.853 156 G HN 0.629 nan 8.290 nan 0.000 0.535 157 R N -0.583 119.416 120.500 -0.836 0.000 2.673 157 R HA 0.775 5.117 4.340 0.002 0.000 0.281 157 R C -1.499 174.664 176.300 -0.229 0.000 0.991 157 R CA -0.762 54.968 56.100 -0.617 0.000 0.896 157 R CB 1.619 31.662 30.300 -0.429 0.000 1.201 157 R HN 0.524 nan 8.270 nan 0.000 0.457 158 L N 3.542 124.692 121.223 -0.122 0.000 2.409 158 L HA 0.560 4.901 4.340 0.002 0.000 0.262 158 L C -1.216 175.660 176.870 0.009 0.000 0.992 158 L CA -0.855 54.060 54.840 0.126 0.000 0.817 158 L CB 2.317 44.607 42.059 0.385 0.000 1.350 158 L HN 0.527 nan 8.230 nan 0.000 0.411 159 F N 2.401 122.515 119.950 0.274 0.000 2.436 159 F HA 0.578 5.106 4.527 0.002 0.000 0.340 159 F C 0.065 176.114 175.800 0.416 0.000 1.113 159 F CA -0.477 57.690 58.000 0.277 0.000 1.022 159 F CB 1.537 40.631 39.000 0.157 0.000 1.128 159 F HN 0.111 nan 8.300 nan 0.000 0.466 160 I N 2.839 123.748 120.570 0.565 0.000 2.378 160 I HA 0.407 4.578 4.170 0.002 0.000 0.291 160 I C -0.947 175.628 176.117 0.763 0.000 0.992 160 I CA -0.386 61.283 61.300 0.615 0.000 1.154 160 I CB 1.777 40.011 38.000 0.390 0.000 1.315 160 I HN 0.526 nan 8.210 nan 0.000 0.448 161 D N 2.745 123.680 120.400 0.892 0.000 2.583 161 D HA 0.280 4.921 4.640 0.002 0.000 0.248 161 D C -0.453 176.249 176.300 0.671 0.000 1.209 161 D CA -0.433 54.051 54.000 0.808 0.000 0.848 161 D CB 1.123 42.311 40.800 0.646 0.000 1.431 161 D HN 0.578 nan 8.370 nan 0.000 0.436 162 H N -0.092 119.205 119.070 0.378 0.000 2.750 162 H HA -0.193 4.364 4.556 0.003 0.000 0.327 162 H C -1.145 174.347 175.328 0.273 0.000 1.199 162 H CA 0.494 56.730 56.048 0.313 0.000 1.149 162 H CB -0.980 29.031 29.762 0.415 0.000 1.543 162 H HN 0.275 nan 8.280 nan 0.000 0.427 163 L N 3.232 124.583 121.223 0.213 0.000 2.262 163 L HA 0.469 4.810 4.340 0.002 0.000 0.288 163 L C -0.325 176.575 176.870 0.050 0.000 1.035 163 L CA -0.712 54.203 54.840 0.126 0.000 0.820 163 L CB 0.344 42.550 42.059 0.245 0.000 1.204 163 L HN 0.342 nan 8.230 nan 0.000 0.424 164 I N 4.449 124.958 120.570 -0.102 0.000 2.339 164 I HA 0.198 4.369 4.170 0.002 0.000 0.290 164 I C 1.412 177.550 176.117 0.035 0.000 0.994 164 I CA -0.350 60.926 61.300 -0.039 0.000 1.191 164 I CB 1.904 39.832 38.000 -0.121 0.000 1.343 164 I HN 0.697 nan 8.210 nan 0.000 0.458 165 T N 2.968 117.684 114.554 0.270 0.000 2.614 165 T HA 0.013 4.364 4.350 0.002 0.000 0.263 165 T C 0.724 175.767 174.700 0.573 0.000 1.055 165 T CA 0.820 63.224 62.100 0.508 0.000 1.162 165 T CB 0.027 69.154 68.868 0.432 0.000 0.863 165 T HN 0.673 nan 8.240 nan 0.000 0.414 166 A N -0.317 122.714 122.820 0.353 0.000 2.488 166 A HA 0.675 4.997 4.320 0.002 0.000 0.295 166 A C -0.487 177.191 177.584 0.156 0.000 1.045 166 A CA -0.432 51.809 52.037 0.339 0.000 0.703 166 A CB 1.926 21.098 19.000 0.287 0.000 1.271 166 A HN 0.447 nan 8.150 nan 0.000 0.400 167 T N 1.341 115.963 114.554 0.112 0.000 2.942 167 T HA 0.437 4.789 4.350 0.002 0.000 0.327 167 T C -1.360 173.354 174.700 0.023 0.000 1.360 167 T CA -0.651 61.464 62.100 0.026 0.000 1.055 167 T CB 0.958 69.805 68.868 -0.034 0.000 1.261 167 T HN 0.544 nan 8.240 nan 0.000 0.485 168 K N 2.530 122.942 120.400 0.019 0.000 2.412 168 K HA 0.537 4.859 4.320 0.002 0.000 0.281 168 K C -0.610 176.042 176.600 0.086 0.000 1.027 168 K CA -0.225 56.105 56.287 0.071 0.000 0.989 168 K CB 1.199 33.747 32.500 0.079 0.000 0.935 168 K HN 0.410 nan 8.250 nan 0.000 0.475 169 V N 1.933 121.874 119.914 0.045 0.000 2.971 169 V HA 0.011 4.133 4.120 0.002 0.000 0.309 169 V C -0.697 175.070 176.094 -0.545 0.000 1.130 169 V CA -1.123 61.088 62.300 -0.148 0.000 0.964 169 V CB 2.371 34.129 31.823 -0.109 0.000 1.029 169 V HN 0.726 nan 8.190 nan 0.000 0.427 170 D N 3.229 123.047 120.400 -0.970 0.000 2.455 170 D HA 0.071 4.712 4.640 0.002 0.000 0.265 170 D C 1.014 177.053 176.300 -0.434 0.000 1.284 170 D CA 0.778 54.151 54.000 -1.044 0.000 0.944 170 D CB 1.549 41.952 40.800 -0.661 0.000 1.121 170 D HN 0.704 nan 8.370 nan 0.000 0.525 171 A N 5.093 127.714 122.820 -0.332 0.000 2.168 171 A HA -0.111 4.210 4.320 0.002 0.000 0.215 171 A C 2.081 179.593 177.584 -0.121 0.000 1.152 171 A CA 0.658 52.606 52.037 -0.148 0.000 0.716 171 A CB -0.053 18.900 19.000 -0.078 0.000 0.794 171 A HN 0.634 nan 8.150 nan 0.000 0.465 172 R N -0.668 119.738 120.500 -0.156 0.000 2.189 172 R HA -0.034 4.308 4.340 0.002 0.000 0.218 172 R C 1.473 177.690 176.300 -0.139 0.000 1.074 172 R CA 1.120 57.141 56.100 -0.132 0.000 0.991 172 R CB 0.024 30.240 30.300 -0.141 0.000 0.883 172 R HN 0.522 nan 8.270 nan 0.000 0.457 173 Q N 0.359 120.063 119.800 -0.161 0.000 2.378 173 Q HA 0.036 4.377 4.340 0.002 0.000 0.216 173 Q C 0.028 175.955 176.000 -0.121 0.000 0.892 173 Q CA 0.260 55.966 55.803 -0.162 0.000 0.931 173 Q CB 0.427 29.026 28.738 -0.232 0.000 1.086 173 Q HN 0.337 nan 8.270 nan 0.000 0.528 174 Q N 1.605 121.349 119.800 -0.095 0.000 2.311 174 Q HA 0.167 4.509 4.340 0.002 0.000 0.272 174 Q C -0.016 175.882 176.000 -0.170 0.000 1.012 174 Q CA 0.380 56.109 55.803 -0.123 0.000 0.891 174 Q CB 0.517 29.240 28.738 -0.025 0.000 1.201 174 Q HN -0.127 nan 8.270 nan 0.000 0.391 175 T N -0.045 114.365 114.554 -0.239 0.000 2.856 175 T HA 0.660 5.012 4.350 0.002 0.000 0.283 175 T C -0.751 173.780 174.700 -0.282 0.000 1.008 175 T CA -0.341 61.614 62.100 -0.242 0.000 0.997 175 T CB 1.226 69.937 68.868 -0.262 0.000 0.992 175 T HN 0.677 nan 8.240 nan 0.000 0.454 176 A N 3.528 126.191 122.820 -0.262 0.000 2.302 176 A HA 0.730 5.051 4.320 0.002 0.000 0.285 176 A C -0.060 177.345 177.584 -0.297 0.000 1.105 176 A CA -0.386 51.453 52.037 -0.331 0.000 0.816 176 A CB 0.294 19.123 19.000 -0.285 0.000 1.067 176 A HN 1.018 nan 8.150 nan 0.000 0.489 177 D N -0.225 119.917 120.400 -0.429 0.000 3.009 177 D HA 0.301 4.943 4.640 0.002 0.000 0.318 177 D C 0.235 176.166 176.300 -0.616 0.000 1.273 177 D CA -0.649 53.145 54.000 -0.342 0.000 1.001 177 D CB -0.091 40.556 40.800 -0.255 0.000 1.411 177 D HN 0.115 nan 8.370 nan 0.000 0.577 178 L N -0.708 120.255 121.223 -0.433 0.000 2.191 178 L HA -0.026 4.315 4.340 0.002 0.000 0.212 178 L C 2.056 178.739 176.870 -0.312 0.000 1.103 178 L CA 1.893 56.533 54.840 -0.334 0.000 0.769 178 L CB -0.909 41.026 42.059 -0.208 0.000 0.908 178 L HN 0.387 nan 8.230 nan 0.000 0.438 179 Q N -1.287 118.284 119.800 -0.383 0.000 2.163 179 Q HA 0.110 4.452 4.340 0.002 0.000 0.198 179 Q C 0.449 176.228 176.000 -0.368 0.000 0.954 179 Q CA 0.786 56.315 55.803 -0.457 0.000 0.851 179 Q CB 0.243 28.521 28.738 -0.766 0.000 0.928 179 Q HN 0.365 nan 8.270 nan 0.000 0.459 180 V N -2.347 117.312 119.914 -0.425 0.000 2.384 180 V HA 0.363 4.484 4.120 0.002 0.000 0.257 180 V C -2.338 173.273 176.094 -0.805 0.000 0.969 180 V CA -1.418 60.518 62.300 -0.607 0.000 0.910 180 V CB 1.098 32.538 31.823 -0.638 0.000 1.150 180 V HN -0.006 nan 8.190 nan 0.000 0.481 181 P HA -0.074 nan 4.420 nan 0.000 0.226 181 P C 1.369 178.513 177.300 -0.259 0.000 1.153 181 P CA 1.006 63.758 63.100 -0.581 0.000 0.777 181 P CB 0.032 31.492 31.700 -0.401 0.000 0.794 182 F N -1.013 118.881 119.950 -0.092 0.000 2.615 182 F HA 0.156 4.685 4.527 0.002 0.000 0.297 182 F C 0.812 176.574 175.800 -0.063 0.000 1.124 182 F CA -0.543 57.432 58.000 -0.041 0.000 1.451 182 F CB -1.724 37.268 39.000 -0.013 0.000 1.103 182 F HN -0.402 nan 8.300 nan 0.000 0.569 183 V N 2.785 122.385 119.914 -0.524 0.000 2.673 183 V HA -0.074 4.048 4.120 0.002 0.000 0.303 183 V C 0.826 176.829 176.094 -0.150 0.000 1.046 183 V CA 0.072 62.180 62.300 -0.320 0.000 1.126 183 V CB -0.111 31.433 31.823 -0.465 0.000 0.934 183 V HN 0.635 nan 8.190 nan 0.000 0.487 184 N N 2.794 121.447 118.700 -0.078 0.000 2.705 184 N HA -0.247 4.495 4.740 0.002 0.000 0.255 184 N C 1.089 176.573 175.510 -0.043 0.000 1.008 184 N CA 0.814 53.828 53.050 -0.060 0.000 0.742 184 N CB -0.568 37.867 38.487 -0.087 0.000 0.906 184 N HN 0.921 nan 8.380 nan 0.000 0.541 185 A N -0.251 122.565 122.820 -0.007 0.000 2.019 185 A HA 0.009 4.331 4.320 0.002 0.000 0.219 185 A C 2.222 179.801 177.584 -0.009 0.000 1.164 185 A CA 1.960 54.001 52.037 0.006 0.000 0.644 185 A CB -0.543 18.482 19.000 0.041 0.000 0.805 185 A HN 0.597 nan 8.150 nan 0.000 0.449 186 G N -1.401 107.391 108.800 -0.014 0.000 2.448 186 G HA2 0.077 4.039 3.960 0.002 0.000 0.218 186 G HA3 0.077 4.039 3.960 0.002 0.000 0.218 186 G C 0.983 175.864 174.900 -0.032 0.000 1.135 186 G CA 1.033 46.123 45.100 -0.018 0.000 0.784 186 G HN 0.466 nan 8.290 nan 0.000 0.543 187 T N 0.681 115.208 114.554 -0.044 0.000 2.940 187 T HA 0.308 4.659 4.350 0.002 0.000 0.309 187 T C 1.493 176.155 174.700 -0.063 0.000 1.056 187 T CA 1.062 63.130 62.100 -0.055 0.000 1.137 187 T CB 0.722 69.551 68.868 -0.066 0.000 0.976 187 T HN 0.238 nan 8.240 nan 0.000 0.547 188 T N 1.061 115.584 114.554 -0.053 0.000 3.145 188 T HA 0.227 4.579 4.350 0.002 0.000 0.281 188 T C 0.501 175.177 174.700 -0.040 0.000 1.003 188 T CA -0.658 61.413 62.100 -0.048 0.000 0.901 188 T CB -0.143 68.712 68.868 -0.021 0.000 1.112 188 T HN 0.498 nan 8.240 nan 0.000 0.535 189 N N 3.224 121.892 118.700 -0.053 0.000 2.411 189 N HA -0.052 4.690 4.740 0.002 0.000 0.265 189 N C 1.159 176.599 175.510 -0.116 0.000 1.266 189 N CA 0.255 53.264 53.050 -0.068 0.000 0.889 189 N CB 0.602 39.057 38.487 -0.053 0.000 1.069 189 N HN 0.714 nan 8.380 nan 0.000 0.476 190 H N 1.651 120.638 119.070 -0.139 0.000 2.489 190 H HA -0.058 4.500 4.556 0.002 0.000 0.295 190 H C 1.198 176.397 175.328 -0.214 0.000 1.082 190 H CA 1.333 57.246 56.048 -0.224 0.000 1.295 190 H CB -0.376 29.178 29.762 -0.346 0.000 1.380 190 H HN 0.663 nan 8.280 nan 0.000 0.548 191 W N 0.535 121.567 121.300 -0.446 0.000 2.476 191 W HA 0.170 4.831 4.660 0.002 0.000 0.281 191 W C 1.283 177.742 176.519 -0.100 0.000 1.230 191 W CA 0.220 57.440 57.345 -0.208 0.000 1.287 191 W CB 0.319 29.622 29.460 -0.261 0.000 1.108 191 W HN 0.179 nan 8.180 nan 0.000 0.567 192 L N 0.334 121.580 121.223 0.039 0.000 2.640 192 L HA 0.097 4.438 4.340 0.002 0.000 0.230 192 L C 1.320 178.084 176.870 -0.177 0.000 1.123 192 L CA -0.002 54.794 54.840 -0.073 0.000 0.900 192 L CB -0.285 41.731 42.059 -0.071 0.000 1.146 192 L HN -0.156 nan 8.230 nan 0.000 0.484 193 V N -3.271 116.516 119.914 -0.212 0.000 3.337 193 V HA 0.108 4.230 4.120 0.002 0.000 0.343 193 V C 1.789 177.633 176.094 -0.416 0.000 1.302 193 V CA -0.046 62.044 62.300 -0.350 0.000 1.268 193 V CB -0.739 30.770 31.823 -0.523 0.000 1.185 193 V HN 0.285 nan 8.190 nan 0.000 0.447 194 L N -0.788 120.158 121.223 -0.462 0.000 2.012 194 L HA -0.158 4.184 4.340 0.002 0.000 0.210 194 L C 2.505 178.837 176.870 -0.897 0.000 1.073 194 L CA 2.527 56.881 54.840 -0.810 0.000 0.748 194 L CB -0.953 40.365 42.059 -1.235 0.000 0.891 194 L HN 0.542 nan 8.230 nan 0.000 0.431 195 Y N 1.310 121.214 120.300 -0.661 0.000 2.133 195 Y HA -0.241 4.311 4.550 0.002 0.000 0.287 195 Y C 2.698 178.479 175.900 -0.198 0.000 1.134 195 Y CA 1.691 59.615 58.100 -0.292 0.000 1.133 195 Y CB -0.189 38.236 38.460 -0.058 0.000 0.987 195 Y HN -0.089 nan 8.280 nan 0.000 0.502 196 K N -0.485 119.697 120.400 -0.362 0.000 2.032 196 K HA -0.195 4.126 4.320 0.002 0.000 0.209 196 K C 1.896 178.329 176.600 -0.278 0.000 1.048 196 K CA 2.075 58.128 56.287 -0.390 0.000 0.927 196 K CB -0.436 31.851 32.500 -0.355 0.000 0.712 196 K HN 0.411 nan 8.250 nan 0.000 0.441 197 H N -0.982 117.926 119.070 -0.270 0.000 2.548 197 H HA 0.093 4.651 4.556 0.002 0.000 0.268 197 H C 1.848 177.052 175.328 -0.205 0.000 0.975 197 H CA 1.121 57.036 56.048 -0.221 0.000 1.195 197 H CB -0.175 29.455 29.762 -0.219 0.000 1.397 197 H HN 0.282 nan 8.280 nan 0.000 0.572 198 S N 0.173 115.781 115.700 -0.153 0.000 2.481 198 S HA -0.028 4.444 4.470 0.002 0.000 0.231 198 S C 1.886 176.505 174.600 0.032 0.000 0.996 198 S CA 0.351 58.519 58.200 -0.053 0.000 0.942 198 S CB -0.456 62.722 63.200 -0.035 0.000 0.768 198 S HN 0.302 nan 8.310 nan 0.000 0.520 199 L N 0.616 121.793 121.223 -0.076 0.000 2.492 199 L HA 0.299 4.641 4.340 0.002 0.000 0.223 199 L C 0.669 177.543 176.870 0.007 0.000 1.132 199 L CA -0.031 54.776 54.840 -0.055 0.000 0.850 199 L CB -0.475 41.483 42.059 -0.168 0.000 0.966 199 L HN 0.254 nan 8.230 nan 0.000 0.454 200 L N 0.892 122.138 121.223 0.039 0.000 2.485 200 L HA 0.023 4.365 4.340 0.002 0.000 0.275 200 L C 0.192 177.127 176.870 0.109 0.000 1.207 200 L CA 0.631 55.508 54.840 0.063 0.000 0.855 200 L CB 0.211 42.306 42.059 0.059 0.000 1.114 200 L HN 0.113 nan 8.230 nan 0.000 0.485 201 K N 3.695 124.067 120.400 -0.047 0.000 2.267 201 K HA 0.509 4.830 4.320 0.002 0.000 0.246 201 K C -2.383 173.878 176.600 -0.566 0.000 0.954 201 K CA -1.792 54.330 56.287 -0.275 0.000 0.824 201 K CB 1.475 33.860 32.500 -0.193 0.000 1.167 201 K HN 0.327 nan 8.250 nan 0.000 0.431 202 P HA -0.003 nan 4.420 nan 0.000 0.272 202 P C -0.648 176.410 177.300 -0.404 0.000 1.230 202 P CA 0.080 62.607 63.100 -0.954 0.000 0.788 202 P CB 0.743 31.826 31.700 -1.027 0.000 0.949 203 D N 0.188 120.439 120.400 -0.248 0.000 2.457 203 D HA 0.038 4.679 4.640 0.002 0.000 0.254 203 D C 0.701 176.935 176.300 -0.109 0.000 1.097 203 D CA 0.063 53.973 54.000 -0.151 0.000 0.870 203 D CB -0.372 40.362 40.800 -0.109 0.000 1.253 203 D HN 0.261 nan 8.370 nan 0.000 0.500 204 I N 2.321 122.836 120.570 -0.093 0.000 2.668 204 I HA -0.052 4.119 4.170 0.002 0.000 0.285 204 I C 0.660 176.737 176.117 -0.067 0.000 1.168 204 I CA 0.332 61.601 61.300 -0.051 0.000 1.424 204 I CB 0.420 38.415 38.000 -0.008 0.000 1.377 204 I HN -0.105 nan 8.210 nan 0.000 0.560 205 E N 5.970 126.143 120.200 -0.045 0.000 2.392 205 E HA 0.163 4.515 4.350 0.002 0.000 0.264 205 E C -0.439 176.141 176.600 -0.034 0.000 1.024 205 E CA -0.461 55.912 56.400 -0.045 0.000 0.903 205 E CB 0.814 30.495 29.700 -0.030 0.000 0.963 205 E HN 0.441 nan 8.360 nan 0.000 0.432 206 L N 3.046 124.244 121.223 -0.041 0.000 2.462 206 L HA 0.071 4.413 4.340 0.002 0.000 0.272 206 L C 0.424 177.289 176.870 -0.008 0.000 1.166 206 L CA 0.361 55.187 54.840 -0.025 0.000 0.880 206 L CB 0.191 42.231 42.059 -0.031 0.000 1.142 206 L HN 0.652 nan 8.230 nan 0.000 0.473 207 T N 1.814 116.372 114.554 0.006 0.000 2.907 207 T HA 0.649 5.001 4.350 0.002 0.000 0.292 207 T C -2.567 172.144 174.700 0.017 0.000 1.043 207 T CA -1.832 60.275 62.100 0.012 0.000 1.003 207 T CB 1.951 70.829 68.868 0.017 0.000 1.084 207 T HN 0.273 nan 8.240 nan 0.000 0.483 208 P HA 0.332 nan 4.420 nan 0.000 0.273 208 P C -0.672 176.642 177.300 0.023 0.000 1.250 208 P CA -0.505 62.606 63.100 0.018 0.000 0.793 208 P CB 0.479 32.187 31.700 0.014 0.000 1.011 209 V N 1.238 121.167 119.914 0.024 0.000 2.383 209 V HA 0.183 4.304 4.120 0.002 0.000 0.275 209 V C 1.047 177.154 176.094 0.021 0.000 1.036 209 V CA -0.166 62.150 62.300 0.027 0.000 0.889 209 V CB 0.705 32.545 31.823 0.029 0.000 0.985 209 V HN 0.762 nan 8.190 nan 0.000 0.459 210 S N 2.778 118.491 115.700 0.021 0.000 2.652 210 S HA 0.237 4.708 4.470 0.002 0.000 0.270 210 S C 0.735 175.345 174.600 0.016 0.000 1.243 210 S CA -0.646 57.565 58.200 0.018 0.000 0.999 210 S CB 1.118 64.329 63.200 0.018 0.000 0.973 210 S HN 0.653 nan 8.310 nan 0.000 0.544 211 D N 0.890 121.298 120.400 0.013 0.000 2.123 211 D HA -0.137 4.504 4.640 0.002 0.000 0.196 211 D C 1.676 177.982 176.300 0.011 0.000 0.992 211 D CA 1.478 55.485 54.000 0.011 0.000 0.833 211 D CB -0.259 40.547 40.800 0.010 0.000 0.954 211 D HN 0.728 nan 8.370 nan 0.000 0.455 212 K N 0.514 120.921 120.400 0.012 0.000 2.057 212 K HA -0.150 4.171 4.320 0.002 0.000 0.207 212 K C 2.091 178.698 176.600 0.011 0.000 1.049 212 K CA 1.074 57.368 56.287 0.011 0.000 0.931 212 K CB 0.065 32.572 32.500 0.013 0.000 0.714 212 K HN 0.102 nan 8.250 nan 0.000 0.440 213 Q N -0.199 119.610 119.800 0.016 0.000 2.167 213 Q HA -0.130 4.211 4.340 0.002 0.000 0.202 213 Q C 2.169 178.177 176.000 0.014 0.000 0.970 213 Q CA 1.201 57.015 55.803 0.019 0.000 0.855 213 Q CB 0.016 28.772 28.738 0.029 0.000 0.911 213 Q HN 0.242 nan 8.270 nan 0.000 0.438 214 R N 0.513 121.021 120.500 0.013 0.000 2.090 214 R HA -0.123 4.218 4.340 0.002 0.000 0.228 214 R C 2.046 178.349 176.300 0.005 0.000 1.110 214 R CA 1.214 57.320 56.100 0.011 0.000 0.973 214 R CB 0.143 30.450 30.300 0.012 0.000 0.869 214 R HN 0.288 nan 8.270 nan 0.000 0.440 215 Q N -0.060 119.742 119.800 0.003 0.000 2.167 215 Q HA -0.091 4.250 4.340 0.002 0.000 0.202 215 Q C 0.192 176.186 176.000 -0.010 0.000 0.970 215 Q CA 0.948 56.751 55.803 -0.000 0.000 0.855 215 Q CB 0.167 28.906 28.738 0.001 0.000 0.911 215 Q HN 0.420 nan 8.270 nan 0.000 0.438 219 L N 1.684 122.896 121.223 -0.019 0.000 2.072 219 L HA 0.143 4.484 4.340 0.002 0.000 0.205 219 L C 1.483 178.319 176.870 -0.057 0.000 1.079 219 L CA 1.604 56.425 54.840 -0.032 0.000 0.752 219 L CB -0.219 41.807 42.059 -0.054 0.000 0.906 219 L HN 0.261 nan 8.230 nan 0.000 0.436 220 L N -0.858 120.300 121.223 -0.109 0.000 2.083 220 L HA -0.195 4.146 4.340 0.002 0.000 0.209 220 L C 2.468 179.321 176.870 -0.027 0.000 1.083 220 L CA 1.474 56.213 54.840 -0.168 0.000 0.752 220 L CB -0.815 41.049 42.059 -0.325 0.000 0.899 220 L HN 0.391 nan 8.230 nan 0.000 0.433 221 E N 0.340 120.575 120.200 0.058 0.000 2.077 221 E HA -0.248 4.103 4.350 0.002 0.000 0.193 221 E C 2.194 178.974 176.600 0.301 0.000 0.989 221 E CA 1.096 57.650 56.400 0.257 0.000 0.800 221 E CB 0.020 29.876 29.700 0.259 0.000 0.746 221 E HN 0.339 nan 8.360 nan 0.000 0.452 222 K N 1.047 121.549 120.400 0.169 0.000 2.026 222 K HA -0.155 4.166 4.320 0.002 0.000 0.208 222 K C 2.204 178.900 176.600 0.160 0.000 1.048 222 K CA 1.139 57.519 56.287 0.155 0.000 0.929 222 K CB 0.061 32.618 32.500 0.095 0.000 0.713 222 K HN -0.052 nan 8.250 nan 0.000 0.439 223 R N -0.584 119.984 120.500 0.113 0.000 2.091 223 R HA -0.162 4.180 4.340 0.002 0.000 0.238 223 R C 2.278 178.687 176.300 0.181 0.000 1.136 223 R CA 1.770 57.943 56.100 0.122 0.000 0.959 223 R CB -0.387 29.885 30.300 -0.046 0.000 0.856 223 R HN 0.236 nan 8.270 nan 0.000 0.437 224 F N 1.386 121.337 119.950 0.003 0.000 2.163 224 F HA -0.093 4.434 4.527 0.000 0.000 0.297 224 F C 2.542 178.359 175.800 0.029 0.000 1.094 224 F CA 1.302 59.264 58.000 -0.064 0.000 1.290 224 F CB -0.130 38.691 39.000 -0.299 0.000 1.017 224 F HN -0.195 nan 8.300 nan 0.000 0.483 225 R N 0.527 121.144 120.500 0.195 0.000 2.073 225 R HA -0.125 4.216 4.340 0.002 0.000 0.234 225 R C 0.562 176.965 176.300 0.171 0.000 1.134 225 R CA 1.404 57.669 56.100 0.275 0.000 0.952 225 R CB -0.594 29.957 30.300 0.418 0.000 0.850 225 R HN 0.201 nan 8.270 nan 0.000 0.433 229 Y N 2.068 122.344 120.300 -0.041 0.000 2.482 229 Y HA 0.751 5.303 4.550 0.003 0.000 0.334 229 Y C -1.621 174.289 175.900 0.017 0.000 1.091 229 Y CA -0.277 57.831 58.100 0.012 0.000 1.027 229 Y CB 2.243 40.731 38.460 0.046 0.000 1.306 229 Y HN 0.053 nan 8.280 nan 0.000 0.446 230 T N 5.996 120.098 114.554 -0.755 0.000 2.881 230 T HA 0.285 4.636 4.350 0.002 0.000 0.290 230 T C -1.127 173.043 174.700 -0.883 0.000 1.000 230 T CA -1.024 60.694 62.100 -0.635 0.000 0.978 230 T CB 1.550 70.256 68.868 -0.270 0.000 0.997 230 T HN 0.570 nan 8.240 nan 0.000 0.443 231 K N 1.855 121.897 120.400 -0.597 0.000 2.484 231 K HA 0.370 4.691 4.320 0.002 0.000 0.280 231 K C 0.399 176.887 176.600 -0.187 0.000 1.013 231 K CA 0.209 56.311 56.287 -0.308 0.000 1.029 231 K CB 0.164 32.630 32.500 -0.057 0.000 0.902 231 K HN 0.859 nan 8.250 nan 0.000 0.481 232 G N 2.738 111.473 108.800 -0.107 0.000 3.021 232 G HA2 0.377 4.338 3.960 0.002 0.000 0.290 232 G HA3 0.377 4.338 3.960 0.002 0.000 0.290 232 G C -1.531 173.365 174.900 -0.006 0.000 1.291 232 G CA -0.492 44.576 45.100 -0.054 0.000 0.834 232 G HN 0.432 nan 8.290 nan 0.000 0.564 233 K N -0.551 119.849 120.400 0.001 0.000 2.207 233 K HA 0.586 4.907 4.320 0.002 0.000 0.255 233 K C -0.875 175.738 176.600 0.022 0.000 0.941 233 K CA -0.615 55.678 56.287 0.010 0.000 0.825 233 K CB 1.838 34.341 32.500 0.004 0.000 1.119 233 K HN 0.432 nan 8.250 nan 0.000 0.430 234 V N 5.466 125.395 119.914 0.024 0.000 2.334 234 V HA 0.341 4.462 4.120 0.002 0.000 0.267 234 V C -0.506 175.602 176.094 0.023 0.000 1.040 234 V CA -0.190 62.129 62.300 0.031 0.000 0.866 234 V CB 0.370 32.214 31.823 0.036 0.000 1.019 234 V HN 0.964 nan 8.190 nan 0.000 0.468 235 T N 2.297 116.866 114.554 0.025 0.000 2.860 235 T HA 0.287 4.639 4.350 0.002 0.000 0.299 235 T C 0.999 175.712 174.700 0.022 0.000 1.045 235 T CA -0.074 62.038 62.100 0.020 0.000 1.071 235 T CB 1.057 69.937 68.868 0.020 0.000 0.985 235 T HN 0.743 nan 8.240 nan 0.000 0.537 236 E N 0.900 121.110 120.200 0.018 0.000 2.160 236 E HA -0.173 4.178 4.350 0.002 0.000 0.195 236 E C 2.069 178.682 176.600 0.021 0.000 0.991 236 E CA 1.225 57.636 56.400 0.018 0.000 0.810 236 E CB -0.101 29.608 29.700 0.015 0.000 0.742 236 E HN 0.681 nan 8.360 nan 0.000 0.466 237 K N 0.748 121.161 120.400 0.021 0.000 2.025 237 K HA -0.186 4.135 4.320 0.002 0.000 0.207 237 K C 2.206 178.824 176.600 0.029 0.000 1.049 237 K CA 1.379 57.681 56.287 0.023 0.000 0.933 237 K CB -0.054 32.459 32.500 0.021 0.000 0.714 237 K HN -0.041 nan 8.250 nan 0.000 0.438 238 E N 1.361 121.580 120.200 0.032 0.000 2.085 238 E HA -0.185 4.166 4.350 0.002 0.000 0.194 238 E C 1.775 178.401 176.600 0.043 0.000 0.994 238 E CA 1.638 58.062 56.400 0.041 0.000 0.801 238 E CB -0.185 29.541 29.700 0.044 0.000 0.743 238 E HN 0.289 nan 8.360 nan 0.000 0.453 239 A N 0.686 123.528 122.820 0.037 0.000 1.930 239 A HA -0.142 4.179 4.320 0.002 0.000 0.217 239 A C 2.129 179.735 177.584 0.037 0.000 1.175 239 A CA 1.503 53.562 52.037 0.036 0.000 0.627 239 A CB -0.507 18.510 19.000 0.029 0.000 0.815 239 A HN 0.221 nan 8.150 nan 0.000 0.443 240 E N -0.285 119.936 120.200 0.034 0.000 2.072 240 E HA -0.110 4.241 4.350 0.002 0.000 0.191 240 E C 2.153 178.777 176.600 0.040 0.000 0.985 240 E CA 1.655 58.075 56.400 0.034 0.000 0.801 240 E CB -0.635 29.081 29.700 0.027 0.000 0.750 240 E HN 0.604 nan 8.360 nan 0.000 0.452 241 T N 1.749 116.327 114.554 0.040 0.000 2.746 241 T HA -0.110 4.241 4.350 0.002 0.000 0.267 241 T C 2.130 176.865 174.700 0.059 0.000 1.039 241 T CA 0.906 63.033 62.100 0.044 0.000 1.142 241 T CB -0.211 68.683 68.868 0.044 0.000 0.866 241 T HN 0.110 nan 8.240 nan 0.000 0.444 242 I N 0.696 121.304 120.570 0.064 0.000 2.163 242 I HA -0.222 3.949 4.170 0.002 0.000 0.243 242 I C 2.801 178.983 176.117 0.107 0.000 1.085 242 I CA 1.466 62.814 61.300 0.080 0.000 1.347 242 I CB -0.254 37.782 38.000 0.061 0.000 1.044 242 I HN 0.151 nan 8.210 nan 0.000 0.408 243 R N 0.362 120.916 120.500 0.089 0.000 2.092 243 R HA -0.179 4.162 4.340 0.002 0.000 0.231 243 R C 2.331 178.711 176.300 0.134 0.000 1.119 243 R CA 1.226 57.400 56.100 0.123 0.000 0.970 243 R CB -0.266 30.084 30.300 0.083 0.000 0.864 243 R HN 0.271 nan 8.270 nan 0.000 0.440 244 K N 1.079 121.526 120.400 0.079 0.000 2.026 244 K HA -0.132 4.190 4.320 0.002 0.000 0.208 244 K C 1.848 178.462 176.600 0.023 0.000 1.048 244 K CA 1.406 57.718 56.287 0.042 0.000 0.929 244 K CB 0.144 32.658 32.500 0.023 0.000 0.713 244 K HN 0.033 nan 8.250 nan 0.000 0.439 245 K N -0.624 119.802 120.400 0.044 0.000 2.097 245 K HA -0.184 4.137 4.320 0.002 0.000 0.205 245 K C 2.119 178.742 176.600 0.038 0.000 1.050 245 K CA 1.394 57.688 56.287 0.012 0.000 0.938 245 K CB -0.215 32.321 32.500 0.061 0.000 0.718 245 K HN 0.243 nan 8.250 nan 0.000 0.442 246 Y N 2.315 122.635 120.300 0.032 0.000 2.263 246 Y HA -0.166 4.386 4.550 0.003 0.000 0.292 246 Y C 1.420 177.365 175.900 0.076 0.000 1.130 246 Y CA 1.425 59.587 58.100 0.103 0.000 1.179 246 Y CB -0.032 38.467 38.460 0.065 0.000 0.998 246 Y HN 0.033 nan 8.280 nan 0.000 0.532 247 D N 0.375 120.752 120.400 -0.039 0.000 2.219 247 D HA -0.145 4.496 4.640 0.002 0.000 0.205 247 D C 2.044 178.231 176.300 -0.187 0.000 0.970 247 D CA 1.283 55.203 54.000 -0.134 0.000 0.851 247 D CB -0.290 40.506 40.800 -0.006 0.000 0.943 247 D HN 0.424 nan 8.370 nan 0.000 0.488 248 L N -0.608 120.483 121.223 -0.220 0.000 2.362 248 L HA -0.109 4.232 4.340 0.002 0.000 0.219 248 L C 1.640 178.327 176.870 -0.305 0.000 1.134 248 L CA 0.652 55.331 54.840 -0.269 0.000 0.807 248 L CB -0.318 41.545 42.059 -0.327 0.000 0.927 248 L HN 0.124 nan 8.230 nan 0.000 0.447 249 Y N -0.303 119.884 120.300 -0.188 0.000 2.519 249 Y HA -0.062 4.490 4.550 0.003 0.000 0.287 249 Y C 1.032 176.787 175.900 -0.242 0.000 1.128 249 Y CA -0.163 57.833 58.100 -0.174 0.000 1.282 249 Y CB 0.061 38.413 38.460 -0.182 0.000 1.027 249 Y HN 0.171 nan 8.280 nan 0.000 0.551 250 Q N 0.288 119.995 119.800 -0.155 0.000 2.453 250 Q HA -0.232 4.109 4.340 0.002 0.000 0.294 250 Q C -0.664 175.209 176.000 -0.211 0.000 1.295 250 Q CA 0.266 55.974 55.803 -0.158 0.000 0.853 250 Q CB -1.935 26.751 28.738 -0.087 0.000 1.193 250 Q HN 0.493 nan 8.270 nan 0.000 0.461 251 I N 0.484 120.870 120.570 -0.307 0.000 2.587 251 I HA 0.068 4.239 4.170 0.002 0.000 0.284 251 I C 0.800 176.798 176.117 -0.199 0.000 1.134 251 I CA 0.825 61.920 61.300 -0.340 0.000 1.410 251 I CB 0.895 38.718 38.000 -0.295 0.000 1.392 251 I HN 0.057 nan 8.210 nan 0.000 0.545 252 T N 5.187 119.593 114.554 -0.245 0.000 2.864 252 T HA 0.561 4.912 4.350 0.002 0.000 0.299 252 T C -1.363 173.180 174.700 -0.261 0.000 1.166 252 T CA -0.467 61.561 62.100 -0.120 0.000 1.007 252 T CB 0.939 69.781 68.868 -0.044 0.000 1.219 252 T HN 0.240 nan 8.240 nan 0.000 0.506 253 Y N 1.609 121.911 120.300 0.004 0.000 2.364 253 Y HA 0.641 5.192 4.550 0.002 0.000 0.340 253 Y C 0.390 176.289 175.900 -0.001 0.000 0.975 253 Y CA -0.870 57.236 58.100 0.009 0.000 1.089 253 Y CB 1.752 40.227 38.460 0.025 0.000 1.192 253 Y HN 0.189 nan 8.280 nan 0.000 0.454 254 K N 2.962 123.431 120.400 0.115 0.000 2.545 254 K HA 0.181 4.502 4.320 0.002 0.000 0.252 254 K C -1.047 175.584 176.600 0.052 0.000 0.948 254 K CA -0.480 55.839 56.287 0.054 0.000 0.827 254 K CB 1.612 34.104 32.500 -0.013 0.000 1.128 254 K HN 0.775 nan 8.250 nan 0.000 0.429 255 D N 2.194 122.629 120.400 0.059 0.000 2.751 255 D HA -0.214 4.427 4.640 0.002 0.000 0.233 255 D C 0.840 177.186 176.300 0.077 0.000 1.149 255 D CA 1.841 55.872 54.000 0.053 0.000 0.682 255 D CB -0.777 40.042 40.800 0.032 0.000 1.068 255 D HN 1.080 nan 8.370 nan 0.000 0.429 256 G N -1.165 107.706 108.800 0.117 0.000 2.253 256 G HA2 -0.329 3.632 3.960 0.002 0.000 0.251 256 G HA3 -0.329 3.632 3.960 0.002 0.000 0.251 256 G C 0.230 175.266 174.900 0.228 0.000 0.998 256 G CA 0.289 45.480 45.100 0.151 0.000 0.621 256 G HN 0.381 nan 8.290 nan 0.000 0.524 257 Q N 0.593 120.493 119.800 0.167 0.000 2.293 257 Q HA 0.547 4.888 4.340 0.002 0.000 0.251 257 Q C 0.388 176.421 176.000 0.055 0.000 0.930 257 Q CA -0.222 55.659 55.803 0.130 0.000 0.893 257 Q CB 1.998 30.741 28.738 0.009 0.000 1.215 257 Q HN 0.431 nan 8.270 nan 0.000 0.425 258 V N 1.517 121.428 119.914 -0.006 0.000 2.481 258 V HA 0.634 4.755 4.120 0.002 0.000 0.286 258 V C 0.332 176.331 176.094 -0.158 0.000 1.042 258 V CA -0.525 61.606 62.300 -0.283 0.000 0.928 258 V CB 1.206 32.902 31.823 -0.211 0.000 0.986 258 V HN 0.910 nan 8.190 nan 0.000 0.462 259 S N 2.458 117.999 115.700 -0.265 0.000 2.651 259 S HA 1.029 5.500 4.470 0.002 0.000 0.279 259 S C -0.376 173.993 174.600 -0.384 0.000 1.148 259 S CA -0.022 58.041 58.200 -0.227 0.000 0.837 259 S CB 2.273 65.374 63.200 -0.165 0.000 1.138 259 S HN 1.769 nan 8.310 nan 0.000 0.478 260 G N -0.298 108.268 108.800 -0.389 0.000 2.321 260 G HA2 0.425 4.386 3.960 0.002 0.000 0.296 260 G HA3 0.425 4.386 3.960 0.002 0.000 0.296 260 G C -1.468 173.384 174.900 -0.080 0.000 1.287 260 G CA -0.246 44.605 45.100 -0.415 0.000 0.846 260 G HN 1.259 nan 8.290 nan 0.000 0.508 261 V N 2.566 122.497 119.914 0.028 0.000 2.493 261 V HA 0.217 4.338 4.120 0.002 0.000 0.292 261 V C -1.659 174.551 176.094 0.193 0.000 1.016 261 V CA -0.182 62.222 62.300 0.173 0.000 1.097 261 V CB 0.849 32.778 31.823 0.178 0.000 0.947 261 V HN 0.488 nan 8.190 nan 0.000 0.479 262 P HA 0.150 nan 4.420 nan 0.000 0.268 262 P C -0.734 176.419 177.300 -0.245 0.000 1.204 262 P CA 0.109 63.069 63.100 -0.232 0.000 0.768 262 P CB 0.554 32.090 31.700 -0.273 0.000 0.842 263 V N 4.802 124.379 119.914 -0.561 0.000 2.448 263 V HA 0.453 4.574 4.120 0.002 0.000 0.295 263 V C -0.110 175.555 176.094 -0.714 0.000 1.025 263 V CA -0.222 61.799 62.300 -0.464 0.000 0.859 263 V CB 0.740 32.196 31.823 -0.611 0.000 0.988 263 V HN 0.383 nan 8.190 nan 0.000 0.431 267 R N 1.533 122.077 120.500 0.074 0.000 2.316 267 R HA 0.269 4.611 4.340 0.002 0.000 0.202 267 R C 1.938 178.368 176.300 0.216 0.000 1.029 267 R CA 1.105 57.272 56.100 0.110 0.000 1.018 267 R CB -1.097 29.164 30.300 -0.066 0.000 0.888 267 R HN 0.675 nan 8.270 nan 0.000 0.471 268 A N 1.263 124.215 122.820 0.221 0.000 2.178 268 A HA -0.149 4.172 4.320 0.002 0.000 0.218 268 A C 2.154 179.889 177.584 0.252 0.000 1.157 268 A CA 1.577 53.815 52.037 0.335 0.000 0.689 268 A CB -0.420 18.814 19.000 0.390 0.000 0.787 268 A HN 0.412 nan 8.150 nan 0.000 0.465 269 S N -0.229 115.621 115.700 0.250 0.000 2.481 269 S HA -0.119 4.352 4.470 0.002 0.000 0.231 269 S C 1.319 176.191 174.600 0.453 0.000 0.996 269 S CA 1.091 59.498 58.200 0.345 0.000 0.942 269 S CB -0.370 63.054 63.200 0.372 0.000 0.768 269 S HN 0.681 nan 8.310 nan 0.000 0.520 270 E N 1.337 121.790 120.200 0.423 0.000 2.409 270 E HA 0.055 4.407 4.350 0.002 0.000 0.198 270 E C 2.143 178.715 176.600 -0.047 0.000 1.024 270 E CA 0.647 57.209 56.400 0.270 0.000 0.861 270 E CB -0.320 29.584 29.700 0.340 0.000 0.788 270 E HN 0.769 nan 8.360 nan 0.000 0.521 271 A N 0.482 123.154 122.820 -0.247 0.000 1.930 271 A HA -0.160 4.161 4.320 0.002 0.000 0.217 271 A C 1.404 178.707 177.584 -0.468 0.000 1.175 271 A CA 1.032 52.672 52.037 -0.662 0.000 0.627 271 A CB -0.548 17.882 19.000 -0.950 0.000 0.815 271 A HN 0.363 nan 8.150 nan 0.000 0.443 272 Y N -0.640 119.654 120.300 -0.010 0.000 2.461 272 Y HA 0.216 4.767 4.550 0.002 0.000 0.277 272 Y C 1.912 177.646 175.900 -0.277 0.000 1.182 272 Y CA 0.214 58.297 58.100 -0.028 0.000 1.276 272 Y CB -0.183 38.366 38.460 0.147 0.000 1.087 272 Y HN 0.433 nan 8.280 nan 0.000 0.519 273 E N 1.140 120.968 120.200 -0.620 0.000 2.058 273 E HA -0.158 4.194 4.350 0.002 0.000 0.194 273 E C 0.993 177.227 176.600 -0.611 0.000 0.997 273 E CA 0.851 56.418 56.400 -1.388 0.000 0.801 273 E CB 0.295 29.246 29.700 -1.248 0.000 0.746 273 E HN 0.262 nan 8.360 nan 0.000 0.450 277 P HA -0.082 nan 4.420 nan 0.000 0.220 277 P C 0.301 177.659 177.300 0.097 0.000 1.148 277 P CA 1.280 64.420 63.100 0.066 0.000 0.803 277 P CB 0.008 31.728 31.700 0.033 0.000 0.782 278 D N -2.109 118.356 120.400 0.110 0.000 2.895 278 D HA 0.007 4.648 4.640 0.002 0.000 0.258 278 D C -0.471 175.914 176.300 0.142 0.000 1.311 278 D CA -0.811 53.247 54.000 0.097 0.000 0.843 278 D CB -0.763 40.064 40.800 0.045 0.000 1.055 278 D HN 0.115 nan 8.370 nan 0.000 0.486 279 W N 2.046 123.359 121.300 0.022 0.000 2.223 279 W HA 0.246 4.907 4.660 0.002 0.000 0.334 279 W C -0.449 176.095 176.519 0.043 0.000 1.334 279 W CA 0.174 57.545 57.345 0.044 0.000 1.246 279 W CB 0.717 30.216 29.460 0.064 0.000 1.184 279 W HN -0.102 nan 8.180 nan 0.000 0.563 280 D N 5.073 125.032 120.400 -0.735 0.000 2.492 280 D HA 0.086 4.727 4.640 0.002 0.000 0.248 280 D C 1.010 176.571 176.300 -1.233 0.000 1.101 280 D CA -0.469 53.089 54.000 -0.736 0.000 0.840 280 D CB 1.515 42.099 40.800 -0.359 0.000 1.209 280 D HN 0.595 nan 8.370 nan 0.000 0.524 281 K N 2.038 121.718 120.400 -1.201 0.000 2.281 281 K HA -0.065 4.257 4.320 0.002 0.000 0.203 281 K C 0.007 176.382 176.600 -0.374 0.000 1.046 281 K CA 0.768 56.518 56.287 -0.894 0.000 0.938 281 K CB 0.283 32.558 32.500 -0.375 0.000 0.737 281 K HN 0.286 nan 8.250 nan 0.000 0.458 285 T N 0.737 115.300 114.554 0.015 0.000 2.821 285 T HA -0.018 4.334 4.350 0.002 0.000 0.267 285 T C 0.983 175.687 174.700 0.007 0.000 1.046 285 T CA 0.935 63.048 62.100 0.023 0.000 1.139 285 T CB -0.045 68.832 68.868 0.014 0.000 0.871 285 T HN 0.164 nan 8.240 nan 0.000 0.454 289 I N 0.526 121.155 120.570 0.098 0.000 4.082 289 I HA 0.308 4.480 4.170 0.002 0.000 0.337 289 I C 1.057 177.271 176.117 0.161 0.000 1.352 289 I CA -0.082 61.312 61.300 0.157 0.000 1.097 289 I CB 0.658 38.746 38.000 0.146 0.000 1.048 289 I HN 0.147 nan 8.210 nan 0.000 0.393 293 A N 0.427 123.369 122.820 0.202 0.000 1.948 293 A HA -0.187 4.134 4.320 0.002 0.000 0.220 293 A C 1.792 179.505 177.584 0.215 0.000 1.177 293 A CA 1.755 53.911 52.037 0.198 0.000 0.636 293 A CB -0.867 18.248 19.000 0.191 0.000 0.815 293 A HN 0.525 nan 8.150 nan 0.000 0.449 294 Y N -0.996 119.324 120.300 0.034 0.000 2.133 294 Y HA -0.186 4.364 4.550 0.002 0.000 0.287 294 Y C 2.017 177.778 175.900 -0.232 0.000 1.134 294 Y CA 2.236 60.205 58.100 -0.219 0.000 1.133 294 Y CB -0.324 37.788 38.460 -0.580 0.000 0.987 294 Y HN 0.306 nan 8.280 nan 0.000 0.502 295 F N 0.040 120.127 119.950 0.229 0.000 2.293 295 F HA -0.169 4.359 4.527 0.002 0.000 0.300 295 F C 1.947 177.830 175.800 0.138 0.000 1.086 295 F CA 1.001 59.096 58.000 0.158 0.000 1.375 295 F CB -0.288 38.763 39.000 0.084 0.000 1.045 295 F HN 0.079 nan 8.300 nan 0.000 0.516 296 D N 0.418 120.986 120.400 0.281 0.000 2.117 296 D HA -0.083 4.558 4.640 0.002 0.000 0.198 296 D C 1.454 177.858 176.300 0.174 0.000 0.982 296 D CA 0.621 54.750 54.000 0.215 0.000 0.828 296 D CB -0.195 40.714 40.800 0.183 0.000 0.967 296 D HN 0.106 nan 8.370 nan 0.000 0.464 300 R N 1.691 122.310 120.500 0.199 0.000 2.096 300 R HA 0.037 4.378 4.340 0.002 0.000 0.240 300 R C 2.040 178.437 176.300 0.162 0.000 1.139 300 R CA 2.298 58.496 56.100 0.163 0.000 0.952 300 R CB -0.369 30.012 30.300 0.136 0.000 0.854 300 R HN 0.385 nan 8.270 nan 0.000 0.436 301 I N -0.122 120.555 120.570 0.177 0.000 2.252 301 I HA -0.190 3.981 4.170 0.002 0.000 0.245 301 I C 2.347 178.574 176.117 0.182 0.000 1.102 301 I CA 1.140 62.544 61.300 0.172 0.000 1.385 301 I CB -0.344 37.762 38.000 0.177 0.000 1.064 301 I HN 0.330 nan 8.210 nan 0.000 0.414 302 A N 0.330 123.271 122.820 0.202 0.000 1.940 302 A HA -0.162 4.160 4.320 0.002 0.000 0.219 302 A C 2.414 180.047 177.584 0.081 0.000 1.176 302 A CA 1.744 53.805 52.037 0.040 0.000 0.631 302 A CB -0.931 18.086 19.000 0.028 0.000 0.814 302 A HN 0.249 nan 8.150 nan 0.000 0.446 303 V N -0.287 119.717 119.914 0.149 0.000 2.358 303 V HA -0.226 3.895 4.120 0.002 0.000 0.246 303 V C 3.041 179.258 176.094 0.206 0.000 1.047 303 V CA 1.876 64.304 62.300 0.213 0.000 1.035 303 V CB -1.145 30.833 31.823 0.259 0.000 0.658 303 V HN 0.618 nan 8.190 nan 0.000 0.452 304 A N -0.897 122.022 122.820 0.164 0.000 1.933 304 A HA -0.267 4.054 4.320 0.002 0.000 0.218 304 A C 2.153 179.807 177.584 0.118 0.000 1.175 304 A CA 2.031 54.146 52.037 0.129 0.000 0.628 304 A CB -0.754 18.311 19.000 0.108 0.000 0.814 304 A HN 0.684 nan 8.150 nan 0.000 0.444 305 Y N 1.227 121.525 120.300 -0.004 0.000 2.181 305 Y HA -0.185 4.364 4.550 -0.001 0.000 0.288 305 Y C 2.112 177.983 175.900 -0.049 0.000 1.146 305 Y CA 2.091 60.164 58.100 -0.045 0.000 1.164 305 Y CB -0.222 38.175 38.460 -0.105 0.000 0.982 305 Y HN 0.327 nan 8.280 nan 0.000 0.515 306 N N 0.538 119.241 118.700 0.006 0.000 2.459 306 N HA -0.129 4.613 4.740 0.002 0.000 0.181 306 N C 0.359 175.890 175.510 0.034 0.000 1.046 306 N CA 1.139 54.133 53.050 -0.094 0.000 0.904 306 N CB -0.392 37.938 38.487 -0.261 0.000 0.964 306 N HN 0.617 nan 8.380 nan 0.000 0.444 307 N N -0.277 118.473 118.700 0.084 0.000 2.268 307 N HA 0.090 4.831 4.740 0.002 0.000 0.204 307 N C -0.634 174.874 175.510 -0.003 0.000 1.124 307 N CA -0.155 52.945 53.050 0.083 0.000 0.838 307 N CB 0.523 39.077 38.487 0.112 0.000 0.994 307 N HN -0.080 nan 8.380 nan 0.000 0.489 308 S N 0.404 116.056 115.700 -0.081 0.000 2.532 308 S HA 0.205 4.676 4.470 0.002 0.000 0.301 308 S C -0.323 174.195 174.600 -0.137 0.000 1.083 308 S CA -0.750 57.390 58.200 -0.100 0.000 1.025 308 S CB 2.394 65.529 63.200 -0.108 0.000 1.056 308 S HN 0.160 nan 8.310 nan 0.000 0.494 309 E N 1.957 122.103 120.200 -0.090 0.000 2.384 309 E HA 0.397 4.749 4.350 0.002 0.000 0.266 309 E C -0.041 176.497 176.600 -0.103 0.000 1.012 309 E CA -0.241 56.109 56.400 -0.082 0.000 0.901 309 E CB 0.533 30.204 29.700 -0.049 0.000 0.967 309 E HN 0.684 nan 8.360 nan 0.000 0.435 310 A N 3.829 126.587 122.820 -0.104 0.000 2.545 310 A HA 0.417 4.738 4.320 0.002 0.000 0.253 310 A C 1.266 178.814 177.584 -0.060 0.000 1.074 310 A CA 0.619 52.598 52.037 -0.098 0.000 0.760 310 A CB -0.737 18.216 19.000 -0.078 0.000 1.005 310 A HN 1.176 nan 8.150 nan 0.000 0.506 311 G N 1.781 110.550 108.800 -0.051 0.000 2.175 311 G HA2 -0.164 3.797 3.960 0.002 0.000 0.244 311 G HA3 -0.164 3.797 3.960 0.002 0.000 0.244 311 G C 0.513 175.399 174.900 -0.024 0.000 0.982 311 G CA 0.627 45.710 45.100 -0.028 0.000 0.641 311 G HN 2.077 nan 8.290 nan 0.000 0.527 312 S N 0.145 115.825 115.700 -0.034 0.000 2.601 312 S HA 0.639 5.111 4.470 0.002 0.000 0.271 312 S C -0.834 173.758 174.600 -0.014 0.000 1.305 312 S CA -0.578 57.607 58.200 -0.024 0.000 1.022 312 S CB 2.200 65.381 63.200 -0.032 0.000 0.940 312 S HN -0.009 nan 8.310 nan 0.000 0.525 313 P HA -0.009 nan 4.420 nan 0.000 0.218 313 P C 1.377 178.681 177.300 0.007 0.000 1.149 313 P CA 0.547 63.648 63.100 0.003 0.000 0.817 313 P CB 0.021 31.724 31.700 0.004 0.000 0.785 314 I N -0.795 119.776 120.570 0.002 0.000 2.353 314 I HA -0.200 3.972 4.170 0.002 0.000 0.248 314 I C 2.546 178.673 176.117 0.018 0.000 1.119 314 I CA 1.129 62.434 61.300 0.008 0.000 1.417 314 I CB 0.005 38.008 38.000 0.004 0.000 1.078 314 I HN -0.227 nan 8.210 nan 0.000 0.421 315 R N 1.092 121.588 120.500 -0.007 0.000 2.073 315 R HA -0.195 4.146 4.340 0.002 0.000 0.234 315 R C 2.272 178.634 176.300 0.104 0.000 1.134 315 R CA 1.687 57.779 56.100 -0.013 0.000 0.952 315 R CB -0.158 30.056 30.300 -0.143 0.000 0.850 315 R HN 0.227 nan 8.270 nan 0.000 0.433 316 K N 0.389 120.825 120.400 0.061 0.000 2.097 316 K HA -0.126 4.195 4.320 0.002 0.000 0.206 316 K C 0.914 177.549 176.600 0.059 0.000 1.049 316 K CA 0.879 57.208 56.287 0.070 0.000 0.933 316 K CB -0.091 32.430 32.500 0.035 0.000 0.717 316 K HN 0.348 nan 8.250 nan 0.000 0.442 320 R N 1.601 122.117 120.500 0.027 0.000 2.073 320 R HA 0.005 4.347 4.340 0.002 0.000 0.234 320 R C 1.705 178.012 176.300 0.012 0.000 1.134 320 R CA 1.967 58.081 56.100 0.023 0.000 0.952 320 R CB 0.044 30.352 30.300 0.013 0.000 0.850 320 R HN 0.094 nan 8.270 nan 0.000 0.433 321 K N -0.501 119.844 120.400 -0.092 0.000 2.057 321 K HA -0.178 4.144 4.320 0.002 0.000 0.207 321 K C 1.965 178.533 176.600 -0.054 0.000 1.049 321 K CA 1.529 57.643 56.287 -0.287 0.000 0.931 321 K CB -0.305 31.853 32.500 -0.570 0.000 0.714 321 K HN 0.155 nan 8.250 nan 0.000 0.440 322 F N 2.048 121.940 119.950 -0.098 0.000 2.069 322 F HA -0.205 4.324 4.527 0.004 0.000 0.298 322 F C 1.914 177.734 175.800 0.032 0.000 1.113 322 F CA 1.371 59.346 58.000 -0.042 0.000 1.214 322 F CB -0.230 38.702 39.000 -0.113 0.000 0.978 322 F HN -0.112 nan 8.300 nan 0.000 0.474 323 L N 0.027 121.369 121.223 0.197 0.000 2.046 323 L HA -0.098 4.243 4.340 0.002 0.000 0.208 323 L C 1.978 178.960 176.870 0.187 0.000 1.077 323 L CA 0.501 55.437 54.840 0.160 0.000 0.747 323 L CB -1.294 40.843 42.059 0.130 0.000 0.896 323 L HN 0.232 nan 8.230 nan 0.000 0.432 327 D N 0.495 121.003 120.400 0.179 0.000 2.123 327 D HA -0.186 4.455 4.640 0.002 0.000 0.196 327 D C 1.913 178.229 176.300 0.028 0.000 0.992 327 D CA 2.110 56.196 54.000 0.142 0.000 0.833 327 D CB -0.536 40.436 40.800 0.286 0.000 0.954 327 D HN 0.656 nan 8.370 nan 0.000 0.455 328 H N -0.066 118.964 119.070 -0.068 0.000 2.326 328 H HA -0.076 4.481 4.556 0.002 0.000 0.301 328 H C 2.040 177.240 175.328 -0.213 0.000 1.081 328 H CA 0.627 56.599 56.048 -0.127 0.000 1.334 328 H CB 0.070 29.767 29.762 -0.109 0.000 1.385 328 H HN -0.012 nan 8.280 nan 0.000 0.504 329 I N 1.265 121.592 120.570 -0.405 0.000 2.394 329 I HA -0.180 3.992 4.170 0.002 0.000 0.251 329 I C 2.144 178.035 176.117 -0.377 0.000 1.136 329 I CA 1.136 62.075 61.300 -0.601 0.000 1.425 329 I CB -1.031 36.585 38.000 -0.640 0.000 1.079 329 I HN 0.306 nan 8.210 nan 0.000 0.425 330 T N -0.279 114.082 114.554 -0.322 0.000 2.777 330 T HA -0.182 4.169 4.350 0.002 0.000 0.266 330 T C 1.604 176.236 174.700 -0.114 0.000 1.040 330 T CA 1.594 63.557 62.100 -0.228 0.000 1.141 330 T CB -0.254 68.386 68.868 -0.380 0.000 0.868 330 T HN 0.273 nan 8.240 nan 0.000 0.444 331 D N 0.583 120.921 120.400 -0.104 0.000 2.144 331 D HA -0.083 4.559 4.640 0.002 0.000 0.199 331 D C 2.298 178.638 176.300 0.066 0.000 0.984 331 D CA 0.736 54.740 54.000 0.008 0.000 0.834 331 D CB 0.012 40.865 40.800 0.089 0.000 0.955 331 D HN 0.139 nan 8.370 nan 0.000 0.465 332 Q N -0.957 118.754 119.800 -0.149 0.000 2.369 332 Q HA 0.082 4.423 4.340 0.002 0.000 0.206 332 Q C 1.416 177.361 176.000 -0.091 0.000 0.963 332 Q CA 1.281 56.943 55.803 -0.236 0.000 0.894 332 Q CB 0.812 29.135 28.738 -0.692 0.000 0.965 332 Q HN 0.452 nan 8.270 nan 0.000 0.475 333 G N -0.666 108.139 108.800 0.008 0.000 2.273 333 G HA2 -0.177 3.784 3.960 0.002 0.000 0.162 333 G HA3 -0.177 3.784 3.960 0.002 0.000 0.162 333 G C -0.051 175.077 174.900 0.381 0.000 1.006 333 G CA -0.099 45.131 45.100 0.216 0.000 0.704 333 G HN 0.133 nan 8.290 nan 0.000 0.487 334 V N 1.656 121.685 119.914 0.193 0.000 2.287 334 V HA 0.652 4.773 4.120 0.002 0.000 0.246 334 V C 0.710 177.005 176.094 0.336 0.000 1.165 334 V CA 0.919 63.422 62.300 0.337 0.000 1.088 334 V CB -0.099 31.791 31.823 0.112 0.000 1.242 334 V HN 1.330 nan 8.190 nan 0.000 0.497 335 A N 3.945 127.029 122.820 0.440 0.000 2.599 335 A HA 0.639 4.960 4.320 0.002 0.000 0.290 335 A C -1.195 176.352 177.584 -0.063 0.000 1.101 335 A CA -0.755 51.417 52.037 0.225 0.000 0.674 335 A CB 0.724 19.782 19.000 0.097 0.000 1.277 335 A HN 0.511 nan 8.150 nan 0.000 0.419 336 Y N 1.001 121.144 120.300 -0.262 0.000 2.712 336 Y HA 0.333 4.885 4.550 0.003 0.000 0.333 336 Y C 1.440 176.682 175.900 -1.097 0.000 1.225 336 Y CA 2.019 59.711 58.100 -0.681 0.000 1.499 336 Y CB 0.446 38.736 38.460 -0.283 0.000 1.288 336 Y HN 2.132 nan 8.280 nan 0.000 0.575 337 G N 3.386 110.496 108.800 -2.818 0.000 2.147 337 G HA2 -0.255 3.707 3.960 0.002 0.000 0.244 337 G HA3 -0.255 3.707 3.960 0.002 0.000 0.244 337 G C -0.187 174.045 174.900 -1.113 0.000 1.005 337 G CA 0.313 44.189 45.100 -2.039 0.000 0.713 337 G HN 0.934 nan 8.290 nan 0.000 0.515 338 S N -1.600 113.475 115.700 -1.043 0.000 2.594 338 S HA 0.583 5.055 4.470 0.002 0.000 0.296 338 S C 0.513 174.848 174.600 -0.442 0.000 1.124 338 S CA 0.097 58.018 58.200 -0.466 0.000 1.011 338 S CB 1.278 64.370 63.200 -0.181 0.000 1.016 338 S HN 0.696 nan 8.310 nan 0.000 0.485 339 C N 4.501 123.483 119.300 -0.529 0.000 3.525 339 C HA 0.365 4.826 4.460 0.002 0.000 0.289 339 C C 0.065 174.605 174.990 -0.750 0.000 1.496 339 C CA -0.684 57.851 59.018 -0.804 0.000 1.804 339 C CB -1.287 26.174 27.740 -0.465 0.000 2.708 339 C HN 1.021 nan 8.230 nan 0.000 0.642 340 W N 0.380 121.566 121.300 -0.188 0.000 3.834 340 W HA -0.236 4.425 4.660 0.001 0.000 0.320 340 W C 1.131 177.327 176.519 -0.539 0.000 1.201 340 W CA 1.159 58.338 57.345 -0.277 0.000 0.701 340 W CB -2.233 27.234 29.460 0.012 0.000 2.264 340 W HN 0.726 nan 8.180 nan 0.000 1.413 341 G N 0.407 108.932 108.800 -0.459 0.000 2.347 341 G HA2 -0.384 3.577 3.960 0.002 0.000 0.247 341 G HA3 -0.384 3.577 3.960 0.002 0.000 0.247 341 G C 0.068 174.388 174.900 -0.966 0.000 1.037 341 G CA 1.030 45.691 45.100 -0.732 0.000 0.622 341 G HN 0.695 nan 8.290 nan 0.000 0.521 342 N N -1.010 117.149 118.700 -0.901 0.000 2.542 342 N HA 0.558 5.300 4.740 0.002 0.000 0.288 342 N C -0.175 175.175 175.510 -0.267 0.000 1.115 342 N CA -0.547 52.094 53.050 -0.682 0.000 0.924 342 N CB 1.008 38.783 38.487 -1.188 0.000 1.526 342 N HN 0.133 nan 8.380 nan 0.000 0.515 343 I N 2.736 123.206 120.570 -0.168 0.000 4.225 343 I HA 0.107 4.279 4.170 0.002 0.000 0.327 343 I C -0.024 176.101 176.117 0.013 0.000 1.422 343 I CA -0.422 60.812 61.300 -0.111 0.000 1.150 343 I CB -0.088 37.651 38.000 -0.435 0.000 1.192 343 I HN 0.665 nan 8.210 nan 0.000 0.440 344 H N -0.482 118.541 119.070 -0.078 0.000 2.964 344 H HA 0.100 4.657 4.556 0.002 0.000 0.328 344 H C 0.151 175.254 175.328 -0.375 0.000 1.030 344 H CA 0.556 56.492 56.048 -0.187 0.000 1.445 344 H CB 0.019 29.749 29.762 -0.054 0.000 1.449 344 H HN 0.344 nan 8.280 nan 0.000 0.581 345 H N 0.926 119.055 119.070 -1.568 0.000 2.903 345 H HA -0.260 4.297 4.556 0.002 0.000 0.285 345 H C 0.112 174.932 175.328 -0.846 0.000 1.231 345 H CA 1.097 56.158 56.048 -1.646 0.000 1.135 345 H CB -2.345 27.008 29.762 -0.682 0.000 1.328 345 H HN 0.866 nan 8.280 nan 0.000 0.388 346 Y N -2.416 117.502 120.300 -0.638 0.000 2.439 346 Y HA 0.135 4.686 4.550 0.002 0.000 0.292 346 Y C 2.162 178.022 175.900 -0.066 0.000 1.130 346 Y CA 0.704 58.722 58.100 -0.136 0.000 1.254 346 Y CB -0.578 37.926 38.460 0.073 0.000 1.000 346 Y HN 0.188 nan 8.280 nan 0.000 0.554 347 G N 0.997 109.342 108.800 -0.758 0.000 2.574 347 G HA2 -0.376 3.585 3.960 0.002 0.000 0.220 347 G HA3 -0.376 3.585 3.960 0.002 0.000 0.220 347 G C 1.186 175.917 174.900 -0.281 0.000 1.173 347 G CA 1.687 46.492 45.100 -0.490 0.000 0.772 347 G HN 0.618 nan 8.290 nan 0.000 0.585 348 Y N 1.110 121.422 120.300 0.021 0.000 2.293 348 Y HA 0.004 4.556 4.550 0.003 0.000 0.291 348 Y C 3.205 179.153 175.900 0.079 0.000 1.137 348 Y CA 1.115 59.258 58.100 0.071 0.000 1.202 348 Y CB -0.256 38.245 38.460 0.068 0.000 0.990 348 Y HN 0.139 nan 8.280 nan 0.000 0.537 349 S N -0.974 114.850 115.700 0.207 0.000 2.461 349 S HA -0.058 4.413 4.470 0.002 0.000 0.228 349 S C 1.626 176.318 174.600 0.154 0.000 1.005 349 S CA 0.854 59.172 58.200 0.197 0.000 0.942 349 S CB -0.076 63.237 63.200 0.189 0.000 0.776 349 S HN 0.258 nan 8.310 nan 0.000 0.514 350 V N 1.098 121.030 119.914 0.030 0.000 3.483 350 V HA 0.263 4.384 4.120 0.002 0.000 0.301 350 V C 1.801 177.794 176.094 -0.169 0.000 1.389 350 V CA 0.004 62.155 62.300 -0.248 0.000 1.101 350 V CB -0.043 31.682 31.823 -0.162 0.000 0.971 350 V HN 0.186 nan 8.190 nan 0.000 0.434 351 R N 0.845 121.374 120.500 0.049 0.000 2.091 351 R HA -0.107 4.234 4.340 0.002 0.000 0.238 351 R C 2.127 178.522 176.300 0.158 0.000 1.136 351 R CA 2.071 58.265 56.100 0.156 0.000 0.959 351 R CB -0.661 29.744 30.300 0.174 0.000 0.856 351 R HN 0.509 nan 8.270 nan 0.000 0.437 352 G N 0.263 109.140 108.800 0.128 0.000 2.448 352 G HA2 -0.195 3.766 3.960 0.002 0.000 0.218 352 G HA3 -0.195 3.766 3.960 0.002 0.000 0.218 352 G C 1.376 176.344 174.900 0.113 0.000 1.135 352 G CA 0.359 45.574 45.100 0.192 0.000 0.784 352 G HN 0.287 nan 8.290 nan 0.000 0.543 353 L N -0.481 120.582 121.223 -0.267 0.000 1.978 353 L HA -0.250 4.091 4.340 0.002 0.000 0.218 353 L C 2.747 179.396 176.870 -0.368 0.000 1.075 353 L CA 2.062 56.523 54.840 -0.631 0.000 0.767 353 L CB -0.371 40.854 42.059 -1.390 0.000 0.890 353 L HN 0.397 nan 8.230 nan 0.000 0.434 354 Y N -0.027 120.260 120.300 -0.021 0.000 2.163 354 Y HA -0.115 4.436 4.550 0.001 0.000 0.288 354 Y C -0.200 175.876 175.900 0.294 0.000 1.136 354 Y CA 1.005 59.177 58.100 0.119 0.000 1.147 354 Y CB -2.218 36.309 38.460 0.113 0.000 0.987 354 Y HN 0.329 nan 8.280 nan 0.000 0.509 355 P HA -0.116 nan 4.420 nan 0.000 0.219 355 P C 1.254 178.803 177.300 0.415 0.000 1.150 355 P CA 2.005 65.346 63.100 0.402 0.000 0.814 355 P CB -0.052 31.816 31.700 0.280 0.000 0.787 356 A N -0.741 122.336 122.820 0.429 0.000 1.902 356 A HA -0.194 4.127 4.320 0.002 0.000 0.217 356 A C 2.185 180.169 177.584 0.667 0.000 1.181 356 A CA 1.283 53.643 52.037 0.538 0.000 0.623 356 A CB -1.709 17.674 19.000 0.638 0.000 0.818 356 A HN 0.061 nan 8.150 nan 0.000 0.443 357 Y N -1.833 118.717 120.300 0.415 0.000 2.286 357 Y HA -0.024 4.527 4.550 0.002 0.000 0.293 357 Y C 2.068 178.117 175.900 0.248 0.000 1.124 357 Y CA 0.318 58.651 58.100 0.389 0.000 1.178 357 Y CB -0.967 37.717 38.460 0.374 0.000 1.010 357 Y HN 0.440 nan 8.280 nan 0.000 0.536 358 F N 0.022 120.179 119.950 0.345 0.000 2.113 358 F HA -0.045 4.483 4.527 0.003 0.000 0.297 358 F C 1.110 176.974 175.800 0.106 0.000 1.103 358 F CA 0.625 58.768 58.000 0.238 0.000 1.248 358 F CB -0.472 38.743 39.000 0.360 0.000 0.999 358 F HN -0.196 nan 8.300 nan 0.000 0.475 362 D N 1.552 121.828 120.400 -0.206 0.000 2.144 362 D HA -0.134 4.507 4.640 0.002 0.000 0.199 362 D C 1.712 177.926 176.300 -0.143 0.000 0.984 362 D CA 1.573 55.487 54.000 -0.142 0.000 0.834 362 D CB -0.018 40.719 40.800 -0.106 0.000 0.955 362 D HN 0.178 nan 8.370 nan 0.000 0.465 363 V N 0.224 120.015 119.914 -0.205 0.000 2.453 363 V HA -0.155 3.967 4.120 0.002 0.000 0.247 363 V C 2.057 178.025 176.094 -0.208 0.000 1.048 363 V CA 1.055 63.223 62.300 -0.220 0.000 1.049 363 V CB -0.226 31.375 31.823 -0.369 0.000 0.672 363 V HN 0.013 nan 8.190 nan 0.000 0.457 364 L N 0.564 121.642 121.223 -0.241 0.000 2.141 364 L HA -0.036 4.306 4.340 0.002 0.000 0.209 364 L C 2.684 179.461 176.870 -0.155 0.000 1.094 364 L CA 2.228 56.927 54.840 -0.235 0.000 0.763 364 L CB -1.276 40.620 42.059 -0.271 0.000 0.908 364 L HN 0.388 nan 8.230 nan 0.000 0.437 365 R N -0.252 120.175 120.500 -0.121 0.000 2.075 365 R HA -0.145 4.196 4.340 0.002 0.000 0.232 365 R C 2.073 178.334 176.300 -0.065 0.000 1.126 365 R CA 1.351 57.405 56.100 -0.077 0.000 0.963 365 R CB -0.045 30.216 30.300 -0.065 0.000 0.858 365 R HN 0.416 nan 8.270 nan 0.000 0.435 366 E N -0.071 120.085 120.200 -0.073 0.000 2.160 366 E HA -0.214 4.137 4.350 0.002 0.000 0.195 366 E C 1.433 178.002 176.600 -0.051 0.000 0.991 366 E CA 1.186 57.553 56.400 -0.056 0.000 0.810 366 E CB 0.069 29.736 29.700 -0.056 0.000 0.742 366 E HN 0.249 nan 8.360 nan 0.000 0.466 367 E N -0.762 119.397 120.200 -0.070 0.000 2.489 367 E HA 0.042 4.393 4.350 0.002 0.000 0.193 367 E C 0.679 177.255 176.600 -0.041 0.000 1.057 367 E CA 0.542 56.907 56.400 -0.058 0.000 0.866 367 E CB 0.432 30.082 29.700 -0.082 0.000 0.916 367 E HN 0.316 nan 8.360 nan 0.000 0.500 368 G N 1.103 109.878 108.800 -0.042 0.000 2.176 368 G HA2 -0.361 3.600 3.960 0.002 0.000 0.252 368 G HA3 -0.361 3.600 3.960 0.002 0.000 0.252 368 G C 0.741 175.634 174.900 -0.012 0.000 1.024 368 G CA 0.721 45.809 45.100 -0.020 0.000 0.755 368 G HN 0.341 nan 8.290 nan 0.000 0.507 369 K N -1.111 119.262 120.400 -0.046 0.000 2.402 369 K HA 0.392 4.713 4.320 0.002 0.000 0.204 369 K C 2.045 178.623 176.600 -0.037 0.000 1.056 369 K CA -0.064 56.201 56.287 -0.037 0.000 1.069 369 K CB 0.355 32.775 32.500 -0.135 0.000 0.888 369 K HN 0.242 nan 8.250 nan 0.000 0.546 370 L N 1.347 122.546 121.223 -0.040 0.000 2.017 370 L HA -0.098 4.243 4.340 0.002 0.000 0.208 370 L C 1.733 178.634 176.870 0.051 0.000 1.073 370 L CA 1.615 56.447 54.840 -0.012 0.000 0.745 370 L CB -0.285 41.759 42.059 -0.026 0.000 0.894 370 L HN 0.232 nan 8.230 nan 0.000 0.432 371 L N -0.569 120.681 121.223 0.045 0.000 2.042 371 L HA -0.269 4.072 4.340 0.002 0.000 0.210 371 L C 2.577 179.499 176.870 0.087 0.000 1.076 371 L CA 1.996 56.869 54.840 0.055 0.000 0.749 371 L CB -0.328 41.751 42.059 0.033 0.000 0.893 371 L HN 0.530 nan 8.230 nan 0.000 0.432 372 E N -0.249 120.017 120.200 0.110 0.000 2.023 372 E HA -0.290 4.062 4.350 0.002 0.000 0.196 372 E C 2.085 178.842 176.600 0.261 0.000 1.003 372 E CA 1.482 57.984 56.400 0.169 0.000 0.809 372 E CB -0.101 29.723 29.700 0.207 0.000 0.755 372 E HN 0.567 nan 8.360 nan 0.000 0.449 373 A N 1.401 124.404 122.820 0.306 0.000 1.892 373 A HA -0.296 4.025 4.320 0.002 0.000 0.218 373 A C 2.123 179.942 177.584 0.392 0.000 1.188 373 A CA 1.963 54.262 52.037 0.436 0.000 0.631 373 A CB -0.824 18.348 19.000 0.287 0.000 0.822 373 A HN 0.540 nan 8.150 nan 0.000 0.447 374 E N -0.187 120.164 120.200 0.252 0.000 2.070 374 E HA -0.274 4.077 4.350 0.002 0.000 0.197 374 E C 2.262 178.985 176.600 0.206 0.000 1.004 374 E CA 1.582 58.100 56.400 0.196 0.000 0.805 374 E CB -0.177 29.590 29.700 0.112 0.000 0.744 374 E HN 0.643 nan 8.360 nan 0.000 0.451 375 R N -0.294 120.322 120.500 0.194 0.000 2.092 375 R HA -0.098 4.244 4.340 0.002 0.000 0.231 375 R C 2.790 179.337 176.300 0.413 0.000 1.119 375 R CA 1.757 57.989 56.100 0.219 0.000 0.970 375 R CB -0.554 29.762 30.300 0.027 0.000 0.864 375 R HN 0.376 nan 8.270 nan 0.000 0.440 376 T N -0.268 114.522 114.554 0.394 0.000 2.821 376 T HA -0.041 4.310 4.350 0.002 0.000 0.267 376 T C 2.003 177.002 174.700 0.499 0.000 1.046 376 T CA 0.791 63.164 62.100 0.454 0.000 1.139 376 T CB -0.184 68.968 68.868 0.472 0.000 0.871 376 T HN 0.105 nan 8.240 nan 0.000 0.454 377 L N 0.115 121.584 121.223 0.410 0.000 2.017 377 L HA -0.005 4.336 4.340 0.002 0.000 0.208 377 L C 3.395 180.488 176.870 0.371 0.000 1.073 377 L CA 1.507 56.590 54.840 0.405 0.000 0.745 377 L CB -0.567 41.715 42.059 0.373 0.000 0.894 377 L HN 0.228 nan 8.230 nan 0.000 0.432 378 R N -0.601 120.054 120.500 0.259 0.000 2.105 378 R HA -0.230 4.112 4.340 0.002 0.000 0.239 378 R C 2.166 178.575 176.300 0.181 0.000 1.135 378 R CA 1.827 58.017 56.100 0.149 0.000 0.967 378 R CB -0.457 29.908 30.300 0.108 0.000 0.861 378 R HN 0.569 nan 8.270 nan 0.000 0.442 379 W N 0.723 122.048 121.300 0.041 0.000 2.354 379 W HA -0.234 4.426 4.660 0.001 0.000 0.315 379 W C 1.181 177.529 176.519 -0.285 0.000 1.206 379 W CA 1.415 58.605 57.345 -0.259 0.000 1.290 379 W CB -0.467 28.654 29.460 -0.565 0.000 1.152 379 W HN 0.099 nan 8.180 nan 0.000 0.489 380 Y N 0.423 120.818 120.300 0.157 0.000 2.516 380 Y HA 0.062 4.613 4.550 0.001 0.000 0.291 380 Y C 2.538 178.618 175.900 0.299 0.000 1.131 380 Y CA 1.170 59.355 58.100 0.141 0.000 1.281 380 Y CB -0.649 37.960 38.460 0.248 0.000 1.013 380 Y HN -0.017 nan 8.280 nan 0.000 0.554 381 A N 0.038 123.052 122.820 0.323 0.000 2.238 381 A HA 0.186 4.507 4.320 0.002 0.000 0.210 381 A C 0.980 178.530 177.584 -0.057 0.000 1.179 381 A CA -0.007 52.084 52.037 0.090 0.000 0.827 381 A CB -0.907 18.049 19.000 -0.072 0.000 0.856 381 A HN 0.479 nan 8.150 nan 0.000 0.488 382 I N 0.148 120.654 120.570 -0.107 0.000 6.822 382 I HA -0.296 3.875 4.170 0.002 0.000 0.126 382 I C 1.031 177.018 176.117 -0.216 0.000 1.756 382 I CA 0.459 61.638 61.300 -0.202 0.000 2.250 382 I CB -2.664 35.227 38.000 -0.182 0.000 3.407 382 I HN 0.210 nan 8.210 nan 0.000 0.229 383 T N -0.481 113.964 114.554 -0.182 0.000 2.833 383 T HA -0.129 4.223 4.350 0.002 0.000 0.269 383 T C 1.495 176.035 174.700 -0.266 0.000 1.054 383 T CA 1.858 63.825 62.100 -0.223 0.000 1.135 383 T CB -0.222 68.508 68.868 -0.229 0.000 0.869 383 T HN 0.529 nan 8.240 nan 0.000 0.466 384 N N 1.312 119.879 118.700 -0.222 0.000 2.443 384 N HA -0.046 4.695 4.740 0.002 0.000 0.184 384 N C 1.585 176.891 175.510 -0.341 0.000 1.037 384 N CA 0.500 53.347 53.050 -0.340 0.000 0.896 384 N CB -0.239 38.203 38.487 -0.075 0.000 0.959 384 N HN 0.536 nan 8.380 nan 0.000 0.442 385 E N -0.361 119.621 120.200 -0.363 0.000 2.401 385 E HA -0.081 4.270 4.350 0.002 0.000 0.199 385 E C 1.166 177.442 176.600 -0.540 0.000 1.023 385 E CA 0.237 56.369 56.400 -0.448 0.000 0.859 385 E CB 0.124 29.550 29.700 -0.458 0.000 0.780 385 E HN 0.115 nan 8.360 nan 0.000 0.523 386 V N -0.078 119.496 119.914 -0.566 0.000 3.406 386 V HA -0.124 3.998 4.120 0.002 0.000 0.263 386 V C 1.268 177.238 176.094 -0.207 0.000 1.172 386 V CA 0.801 62.766 62.300 -0.558 0.000 1.140 386 V CB -0.281 31.281 31.823 -0.435 0.000 0.784 386 V HN 0.362 nan 8.190 nan 0.000 0.467 387 Y N 0.921 121.110 120.300 -0.185 0.000 2.133 387 Y HA -0.031 4.520 4.550 0.001 0.000 0.287 387 Y C -0.739 175.075 175.900 -0.143 0.000 1.134 387 Y CA 0.001 58.009 58.100 -0.153 0.000 1.133 387 Y CB -1.181 37.182 38.460 -0.161 0.000 0.987 387 Y HN 0.331 nan 8.280 nan 0.000 0.502 388 P HA -0.081 nan 4.420 nan 0.000 0.267 388 P C -0.533 176.726 177.300 -0.069 0.000 1.200 388 P CA 0.373 63.439 63.100 -0.056 0.000 0.772 388 P CB 0.416 32.053 31.700 -0.103 0.000 0.855 389 K N 4.090 124.435 120.400 -0.092 0.000 2.383 389 K HA 0.161 4.483 4.320 0.002 0.000 0.286 389 K C -2.088 174.406 176.600 -0.176 0.000 1.051 389 K CA -1.514 54.688 56.287 -0.143 0.000 0.974 389 K CB -0.344 32.072 32.500 -0.140 0.000 0.968 389 K HN 0.309 nan 8.250 nan 0.000 0.475 390 P HA -0.034 nan 4.420 nan 0.000 0.262 390 P C -0.155 177.009 177.300 -0.226 0.000 1.182 390 P CA 0.235 63.199 63.100 -0.227 0.000 0.761 390 P CB 0.590 32.096 31.700 -0.324 0.000 0.795 391 E N 1.063 121.190 120.200 -0.122 0.000 2.285 391 E HA 0.068 4.419 4.350 0.002 0.000 0.194 391 E C 1.053 177.622 176.600 -0.051 0.000 0.997 391 E CA 0.544 56.893 56.400 -0.084 0.000 0.845 391 E CB 0.222 29.889 29.700 -0.054 0.000 0.782 391 E HN 0.653 nan 8.360 nan 0.000 0.491 392 G N 0.139 108.921 108.800 -0.030 0.000 2.706 392 G HA2 0.248 4.209 3.960 0.002 0.000 0.307 392 G HA3 0.248 4.209 3.960 0.002 0.000 0.307 392 G C -1.306 173.650 174.900 0.093 0.000 1.307 392 G CA -0.895 44.224 45.100 0.032 0.000 0.790 392 G HN -0.037 nan 8.290 nan 0.000 0.503 393 N N -0.057 118.695 118.700 0.087 0.000 2.529 393 N HA 0.474 5.215 4.740 0.002 0.000 0.278 393 N C 0.317 175.832 175.510 0.008 0.000 1.146 393 N CA 0.741 53.835 53.050 0.074 0.000 0.980 393 N CB 1.142 39.639 38.487 0.016 0.000 1.124 393 N HN 1.298 nan 8.380 nan 0.000 0.458 394 G N 0.755 109.557 108.800 0.002 0.000 2.721 394 G HA2 -0.112 3.849 3.960 0.002 0.000 0.686 394 G HA3 -0.112 3.849 3.960 0.002 0.000 0.686 394 G C -0.667 174.179 174.900 -0.090 0.000 1.236 394 G CA -0.559 44.515 45.100 -0.044 0.000 0.786 394 G HN 0.681 nan 8.290 nan 0.000 0.616 395 I N -1.931 118.549 120.570 -0.151 0.000 3.145 395 I HA 0.765 4.936 4.170 0.002 0.000 0.313 395 I C 0.170 176.176 176.117 -0.186 0.000 1.122 395 I CA -1.414 59.756 61.300 -0.217 0.000 0.987 395 I CB 1.939 39.689 38.000 -0.418 0.000 1.236 395 I HN 0.572 nan 8.210 nan 0.000 0.453 399 S N -0.313 115.296 115.700 -0.152 0.000 2.348 399 S HA -0.040 4.432 4.470 0.002 0.000 0.221 399 S C 1.658 176.178 174.600 -0.133 0.000 1.033 399 S CA 0.992 59.093 58.200 -0.166 0.000 1.010 399 S CB -0.428 62.628 63.200 -0.239 0.000 0.891 399 S HN 0.305 nan 8.310 nan 0.000 0.442 400 F N 2.140 122.021 119.950 -0.115 0.000 2.202 400 F HA -0.147 4.380 4.527 0.001 0.000 0.301 400 F C 2.469 178.256 175.800 -0.022 0.000 1.082 400 F CA 0.949 58.888 58.000 -0.101 0.000 1.313 400 F CB -0.318 38.615 39.000 -0.112 0.000 1.024 400 F HN 0.200 nan 8.300 nan 0.000 0.495 401 N N -0.304 118.482 118.700 0.145 0.000 2.331 401 N HA -0.118 4.624 4.740 0.002 0.000 0.180 401 N C 1.525 177.090 175.510 0.092 0.000 1.019 401 N CA 1.904 55.019 53.050 0.109 0.000 0.881 401 N CB -0.077 38.449 38.487 0.065 0.000 0.972 401 N HN 0.356 nan 8.380 nan 0.000 0.435 402 T N -4.830 109.755 114.554 0.053 0.000 3.010 402 T HA 0.189 4.540 4.350 0.002 0.000 0.253 402 T C 1.333 176.031 174.700 -0.003 0.000 0.939 402 T CA -0.257 61.856 62.100 0.021 0.000 0.910 402 T CB -0.048 68.802 68.868 -0.030 0.000 1.226 402 T HN 0.012 nan 8.240 nan 0.000 0.508 403 Q N 1.532 121.345 119.800 0.022 0.000 2.356 403 Q HA 0.116 4.457 4.340 0.002 0.000 0.205 403 Q C 2.247 178.329 176.000 0.138 0.000 0.901 403 Q CA 1.142 56.961 55.803 0.026 0.000 0.938 403 Q CB 0.218 28.977 28.738 0.035 0.000 1.081 403 Q HN 0.779 nan 8.270 nan 0.000 0.517 404 T N -2.232 112.454 114.554 0.221 0.000 2.809 404 T HA -0.083 4.268 4.350 0.002 0.000 0.260 404 T C 2.037 176.880 174.700 0.240 0.000 1.039 404 T CA 1.544 63.865 62.100 0.368 0.000 1.141 404 T CB -0.581 68.505 68.868 0.364 0.000 0.869 404 T HN -0.007 nan 8.240 nan 0.000 0.437 405 T N 1.616 116.255 114.554 0.142 0.000 2.652 405 T HA 0.027 4.378 4.350 0.002 0.000 0.267 405 T C 2.272 176.915 174.700 -0.096 0.000 1.039 405 T CA 1.564 63.740 62.100 0.127 0.000 1.153 405 T CB -1.180 67.790 68.868 0.170 0.000 0.863 405 T HN 0.616 nan 8.240 nan 0.000 0.428 406 G N 1.192 109.754 108.800 -0.396 0.000 2.421 406 G HA2 -0.207 3.754 3.960 0.002 0.000 0.216 406 G HA3 -0.207 3.754 3.960 0.002 0.000 0.216 406 G C 1.735 176.313 174.900 -0.537 0.000 1.171 406 G CA 0.424 44.893 45.100 -1.053 0.000 0.775 406 G HN 0.410 nan 8.290 nan 0.000 0.543 407 R N -0.638 119.681 120.500 -0.301 0.000 2.075 407 R HA 0.017 4.358 4.340 0.002 0.000 0.232 407 R C 2.444 178.519 176.300 -0.374 0.000 1.126 407 R CA 1.117 57.095 56.100 -0.203 0.000 0.963 407 R CB -0.395 29.918 30.300 0.022 0.000 0.858 407 R HN 0.399 nan 8.270 nan 0.000 0.435 408 I N 0.783 121.057 120.570 -0.493 0.000 2.353 408 I HA -0.133 4.038 4.170 0.002 0.000 0.248 408 I C 2.086 177.731 176.117 -0.786 0.000 1.119 408 I CA 1.077 61.880 61.300 -0.828 0.000 1.417 408 I CB -0.248 37.291 38.000 -0.769 0.000 1.078 408 I HN 0.103 nan 8.210 nan 0.000 0.421 409 A N -0.135 122.262 122.820 -0.704 0.000 1.902 409 A HA -0.232 4.090 4.320 0.002 0.000 0.217 409 A C 2.519 180.010 177.584 -0.154 0.000 1.181 409 A CA 2.240 53.964 52.037 -0.522 0.000 0.623 409 A CB -1.323 17.640 19.000 -0.062 0.000 0.818 409 A HN 0.593 nan 8.150 nan 0.000 0.443 410 S N 0.059 115.690 115.700 -0.115 0.000 2.399 410 S HA -0.111 4.361 4.470 0.002 0.000 0.231 410 S C 1.828 176.335 174.600 -0.155 0.000 1.022 410 S CA 1.490 59.667 58.200 -0.037 0.000 0.983 410 S CB -0.710 62.469 63.200 -0.035 0.000 0.803 410 S HN 0.498 nan 8.310 nan 0.000 0.480 411 I N 1.171 121.566 120.570 -0.292 0.000 2.406 411 I HA 0.063 4.234 4.170 0.002 0.000 0.249 411 I C 1.247 177.263 176.117 -0.168 0.000 1.122 411 I CA 0.412 61.529 61.300 -0.305 0.000 1.431 411 I CB -0.323 37.466 38.000 -0.351 0.000 1.087 411 I HN 0.235 nan 8.210 nan 0.000 0.424 416 D N 1.885 122.301 120.400 0.028 0.000 2.662 416 D HA 0.092 4.734 4.640 0.002 0.000 0.228 416 D C -0.234 176.087 176.300 0.036 0.000 1.093 416 D CA 0.424 54.442 54.000 0.030 0.000 1.075 416 D CB -0.601 40.212 40.800 0.022 0.000 1.122 416 D HN 0.370 nan 8.370 nan 0.000 0.475 417 T N -2.711 111.872 114.554 0.049 0.000 2.945 417 T HA 0.370 4.722 4.350 0.002 0.000 0.286 417 T C -1.640 173.097 174.700 0.063 0.000 1.025 417 T CA -1.815 60.316 62.100 0.052 0.000 1.039 417 T CB 2.480 71.382 68.868 0.057 0.000 1.068 417 T HN -0.191 nan 8.240 nan 0.000 0.497 418 P HA -0.108 nan 4.420 nan 0.000 0.218 418 P C 0.893 178.235 177.300 0.070 0.000 1.146 418 P CA 1.146 64.276 63.100 0.052 0.000 0.813 418 P CB 0.166 31.886 31.700 0.033 0.000 0.778 419 E N 0.159 120.411 120.200 0.088 0.000 2.150 419 E HA -0.135 4.216 4.350 0.002 0.000 0.193 419 E C 2.129 178.875 176.600 0.242 0.000 0.985 419 E CA 1.008 57.487 56.400 0.131 0.000 0.814 419 E CB -0.574 29.215 29.700 0.148 0.000 0.752 419 E HN 0.305 nan 8.360 nan 0.000 0.466 420 K N 0.489 121.015 120.400 0.209 0.000 2.097 420 K HA -0.056 4.265 4.320 0.002 0.000 0.205 420 K C 2.040 178.760 176.600 0.201 0.000 1.050 420 K CA 0.682 57.100 56.287 0.218 0.000 0.938 420 K CB -0.080 32.489 32.500 0.115 0.000 0.718 420 K HN 0.168 nan 8.250 nan 0.000 0.442 421 L N 1.098 122.408 121.223 0.144 0.000 2.046 421 L HA -0.214 4.127 4.340 0.002 0.000 0.208 421 L C 2.684 179.646 176.870 0.153 0.000 1.077 421 L CA 1.499 56.417 54.840 0.130 0.000 0.747 421 L CB -0.298 41.814 42.059 0.089 0.000 0.896 421 L HN 0.440 nan 8.230 nan 0.000 0.432 422 Q N -1.070 118.809 119.800 0.131 0.000 2.096 422 Q HA -0.272 4.069 4.340 0.002 0.000 0.204 422 Q C 2.106 178.209 176.000 0.172 0.000 0.982 422 Q CA 2.044 57.906 55.803 0.098 0.000 0.850 422 Q CB -0.266 28.478 28.738 0.011 0.000 0.901 422 Q HN 0.531 nan 8.270 nan 0.000 0.422 423 Y N -0.512 119.905 120.300 0.195 0.000 2.145 423 Y HA -0.271 4.279 4.550 0.000 0.000 0.286 423 Y C 2.074 178.082 175.900 0.180 0.000 1.145 423 Y CA 0.689 58.890 58.100 0.167 0.000 1.148 423 Y CB 0.081 38.584 38.460 0.072 0.000 0.981 423 Y HN 0.204 nan 8.280 nan 0.000 0.507 424 L N 0.515 121.948 121.223 0.349 0.000 2.017 424 L HA -0.240 4.101 4.340 0.002 0.000 0.208 424 L C 2.111 179.217 176.870 0.392 0.000 1.073 424 L CA 1.775 56.841 54.840 0.377 0.000 0.745 424 L CB -1.053 41.173 42.059 0.279 0.000 0.894 424 L HN 0.138 nan 8.230 nan 0.000 0.432 425 K N -1.098 119.466 120.400 0.273 0.000 2.063 425 K HA -0.146 4.175 4.320 0.002 0.000 0.208 425 K C 2.132 178.846 176.600 0.189 0.000 1.048 425 K CA 1.676 58.087 56.287 0.205 0.000 0.928 425 K CB -0.159 32.427 32.500 0.143 0.000 0.713 425 K HN 0.225 nan 8.250 nan 0.000 0.442 426 S N 0.533 116.362 115.700 0.215 0.000 2.383 426 S HA -0.128 4.343 4.470 0.002 0.000 0.227 426 S C 1.613 176.341 174.600 0.213 0.000 1.026 426 S CA 1.024 59.343 58.200 0.198 0.000 0.981 426 S CB -0.281 63.065 63.200 0.243 0.000 0.818 426 S HN 0.275 nan 8.310 nan 0.000 0.472 427 F N 1.948 121.969 119.950 0.119 0.000 2.113 427 F HA -0.067 4.463 4.527 0.005 0.000 0.297 427 F C 2.714 178.515 175.800 0.001 0.000 1.103 427 F CA 1.377 59.451 58.000 0.123 0.000 1.248 427 F CB -0.618 38.478 39.000 0.160 0.000 0.999 427 F HN 0.166 nan 8.300 nan 0.000 0.475 428 S N 0.286 115.959 115.700 -0.046 0.000 2.370 428 S HA -0.239 4.232 4.470 0.002 0.000 0.226 428 S C 2.417 176.929 174.600 -0.146 0.000 1.033 428 S CA 1.362 59.334 58.200 -0.381 0.000 1.011 428 S CB -0.521 62.535 63.200 -0.241 0.000 0.852 428 S HN 0.438 nan 8.310 nan 0.000 0.457 429 R N -0.984 119.529 120.500 0.022 0.000 2.096 429 R HA -0.150 4.192 4.340 0.002 0.000 0.235 429 R C 2.153 178.539 176.300 0.144 0.000 1.127 429 R CA 1.771 57.942 56.100 0.119 0.000 0.968 429 R CB -0.601 29.771 30.300 0.120 0.000 0.861 429 R HN 0.662 nan 8.270 nan 0.000 0.440 430 W N 1.250 122.455 121.300 -0.158 0.000 2.379 430 W HA -0.146 4.514 4.660 0.001 0.000 0.307 430 W C 1.698 178.074 176.519 -0.239 0.000 1.200 430 W CA 0.911 58.119 57.345 -0.228 0.000 1.297 430 W CB -0.338 28.912 29.460 -0.350 0.000 1.140 430 W HN -0.049 nan 8.180 nan 0.000 0.507 431 I N 0.867 121.135 120.570 -0.503 0.000 2.226 431 I HA -0.273 3.899 4.170 0.002 0.000 0.245 431 I C 2.255 178.238 176.117 -0.223 0.000 1.100 431 I CA 2.131 63.117 61.300 -0.524 0.000 1.374 431 I CB -1.649 36.081 38.000 -0.449 0.000 1.057 431 I HN 0.096 nan 8.210 nan 0.000 0.413 432 D N 0.817 121.125 120.400 -0.153 0.000 2.108 432 D HA -0.262 4.379 4.640 0.002 0.000 0.190 432 D C 2.217 178.447 176.300 -0.116 0.000 0.995 432 D CA 1.886 55.818 54.000 -0.114 0.000 0.834 432 D CB -0.281 40.474 40.800 -0.075 0.000 0.967 432 D HN 0.301 nan 8.370 nan 0.000 0.446 433 Y N 0.564 120.800 120.300 -0.106 0.000 2.333 433 Y HA 0.006 4.557 4.550 0.001 0.000 0.290 433 Y C 2.536 178.379 175.900 -0.095 0.000 1.144 433 Y CA 1.222 59.272 58.100 -0.084 0.000 1.228 433 Y CB -0.618 37.800 38.460 -0.070 0.000 0.985 433 Y HN 0.090 nan 8.280 nan 0.000 0.542 434 G N -1.471 107.308 108.800 -0.036 0.000 2.432 434 G HA2 -0.240 3.722 3.960 0.002 0.000 0.219 434 G HA3 -0.240 3.722 3.960 0.002 0.000 0.219 434 G C 1.534 176.583 174.900 0.248 0.000 1.135 434 G CA 1.269 46.337 45.100 -0.053 0.000 0.767 434 G HN 0.466 nan 8.290 nan 0.000 0.550 435 C N 0.291 119.710 119.300 0.198 0.000 2.514 435 C HA 0.291 4.752 4.460 0.002 0.000 0.271 435 C C 1.603 176.655 174.990 0.102 0.000 1.399 435 C CA -0.818 58.303 59.018 0.171 0.000 1.765 435 C CB -0.775 26.924 27.740 -0.067 0.000 1.893 435 C HN 0.304 nan 8.230 nan 0.000 0.531 436 R N 1.441 121.946 120.500 0.008 0.000 2.694 436 R HA 0.190 4.531 4.340 0.002 0.000 0.268 436 R C -2.561 173.726 176.300 -0.022 0.000 1.061 436 R CA -1.045 55.026 56.100 -0.048 0.000 1.133 436 R CB -0.244 29.983 30.300 -0.123 0.000 1.020 436 R HN 0.058 nan 8.270 nan 0.000 0.475 437 P HA -0.062 nan 4.420 nan 0.000 0.258 437 P C -1.029 176.195 177.300 -0.128 0.000 1.187 437 P CA 0.500 63.544 63.100 -0.093 0.000 0.767 437 P CB 0.527 32.169 31.700 -0.098 0.000 0.770 438 A N 6.853 129.563 122.820 -0.184 0.000 2.316 438 A HA 0.570 4.891 4.320 0.002 0.000 0.284 438 A C -2.082 175.333 177.584 -0.281 0.000 1.115 438 A CA -1.561 50.359 52.037 -0.194 0.000 0.812 438 A CB -0.315 18.569 19.000 -0.193 0.000 1.064 438 A HN 0.349 nan 8.150 nan 0.000 0.489 439 P HA 0.378 nan 4.420 nan 0.000 0.276 439 P C 0.982 178.190 177.300 -0.153 0.000 1.244 439 P CA 1.117 64.130 63.100 -0.144 0.000 0.801 439 P CB 0.712 32.381 31.700 -0.051 0.000 1.006 440 G N 1.425 110.194 108.800 -0.052 0.000 2.634 440 G HA2 -0.309 3.652 3.960 0.002 0.000 0.309 440 G HA3 -0.309 3.652 3.960 0.002 0.000 0.309 440 G C 0.634 175.514 174.900 -0.034 0.000 1.265 440 G CA 0.599 45.730 45.100 0.052 0.000 0.998 440 G HN 0.527 nan 8.290 nan 0.000 0.551 441 L N 1.593 122.860 121.223 0.073 0.000 2.628 441 L HA 0.562 4.904 4.340 0.002 0.000 0.229 441 L C 1.933 178.882 176.870 0.132 0.000 1.137 441 L CA 0.423 55.369 54.840 0.176 0.000 0.909 441 L CB -0.535 41.708 42.059 0.306 0.000 1.137 441 L HN 0.756 nan 8.230 nan 0.000 0.470 442 A N 0.191 123.000 122.820 -0.018 0.000 2.445 442 A HA 0.704 5.026 4.320 0.002 0.000 0.270 442 A C 1.150 178.699 177.584 -0.058 0.000 1.495 442 A CA 0.430 52.460 52.037 -0.011 0.000 0.840 442 A CB -0.635 18.348 19.000 -0.028 0.000 1.472 442 A HN 0.310 nan 8.150 nan 0.000 0.541 443 G N -1.591 107.173 108.800 -0.060 0.000 2.581 443 G HA2 -0.141 3.820 3.960 0.002 0.000 0.289 443 G HA3 -0.141 3.820 3.960 0.002 0.000 0.289 443 G C 0.889 175.714 174.900 -0.125 0.000 1.303 443 G CA 0.616 45.656 45.100 -0.100 0.000 0.931 443 G HN 1.303 nan 8.290 nan 0.000 0.555 444 S N -1.289 114.260 115.700 -0.251 0.000 2.655 444 S HA 0.501 4.973 4.470 0.002 0.000 0.231 444 S C 0.293 174.502 174.600 -0.651 0.000 1.044 444 S CA 0.759 58.617 58.200 -0.571 0.000 0.910 444 S CB 0.181 62.794 63.200 -0.978 0.000 0.833 444 S HN 0.424 nan 8.310 nan 0.000 0.581 445 F N 1.976 121.891 119.950 -0.060 0.000 2.522 445 F HA 0.616 5.145 4.527 0.002 0.000 0.324 445 F C 0.295 175.978 175.800 -0.194 0.000 1.077 445 F CA -1.040 56.898 58.000 -0.103 0.000 0.944 445 F CB 0.962 39.884 39.000 -0.130 0.000 1.175 445 F HN -0.288 nan 8.300 nan 0.000 0.468 446 K N 0.587 120.982 120.400 -0.009 0.000 2.295 446 K HA 0.473 4.795 4.320 0.002 0.000 0.239 446 K C 0.861 177.405 176.600 -0.095 0.000 0.991 446 K CA -0.638 55.513 56.287 -0.227 0.000 0.845 446 K CB 1.854 34.109 32.500 -0.409 0.000 1.197 446 K HN 0.443 nan 8.250 nan 0.000 0.441 447 V N -1.409 118.442 119.914 -0.105 0.000 2.594 447 V HA -0.214 3.908 4.120 0.002 0.000 0.253 447 V C 1.135 177.223 176.094 -0.009 0.000 1.069 447 V CA 1.988 64.266 62.300 -0.036 0.000 1.082 447 V CB -0.896 30.920 31.823 -0.011 0.000 0.680 447 V HN 0.744 nan 8.190 nan 0.000 0.469 448 D N 0.188 120.616 120.400 0.046 0.000 2.339 448 D HA 0.307 4.948 4.640 0.002 0.000 0.217 448 D C 1.593 177.919 176.300 0.044 0.000 1.050 448 D CA 0.703 54.724 54.000 0.035 0.000 0.856 448 D CB 0.299 41.140 40.800 0.067 0.000 0.922 448 D HN 0.742 nan 8.370 nan 0.000 0.518 449 G N -0.729 108.105 108.800 0.056 0.000 2.179 449 G HA2 -0.118 3.843 3.960 0.002 0.000 0.220 449 G HA3 -0.118 3.843 3.960 0.002 0.000 0.220 449 G C 0.623 175.630 174.900 0.179 0.000 0.990 449 G CA -0.211 44.937 45.100 0.079 0.000 0.646 449 G HN 0.733 nan 8.290 nan 0.000 0.517 450 G N -0.070 108.855 108.800 0.210 0.000 2.527 450 G HA2 0.680 4.642 3.960 0.002 0.000 0.248 450 G HA3 0.680 4.642 3.960 0.002 0.000 0.248 450 G C 0.115 175.229 174.900 0.357 0.000 1.231 450 G CA 0.621 45.911 45.100 0.317 0.000 0.838 450 G HN 1.627 nan 8.290 nan 0.000 0.570 451 A N 1.094 124.164 122.820 0.417 0.000 2.357 451 A HA 0.689 5.010 4.320 0.002 0.000 0.295 451 A C -1.309 176.500 177.584 0.376 0.000 1.121 451 A CA -0.566 51.697 52.037 0.376 0.000 0.742 451 A CB 0.861 20.078 19.000 0.362 0.000 1.181 451 A HN 0.465 nan 8.150 nan 0.000 0.454 452 F N 1.450 121.395 119.950 -0.009 0.000 2.443 452 F HA 0.666 5.195 4.527 0.002 0.000 0.335 452 F C 0.299 176.168 175.800 0.114 0.000 1.104 452 F CA 0.047 58.077 58.000 0.050 0.000 1.013 452 F CB 1.873 40.872 39.000 -0.001 0.000 1.136 452 F HN 0.747 nan 8.300 nan 0.000 0.470 453 H N 0.668 119.802 119.070 0.107 0.000 3.079 453 H HA 0.289 4.846 4.556 0.002 0.000 0.356 453 H C -0.474 174.940 175.328 0.143 0.000 1.221 453 H CA -1.021 55.018 56.048 -0.014 0.000 1.185 453 H CB 0.783 30.360 29.762 -0.308 0.000 1.882 453 H HN 0.734 nan 8.280 nan 0.000 0.543 454 H N 3.835 122.729 119.070 -0.294 0.000 2.820 454 H HA -0.193 4.364 4.556 0.002 0.000 0.295 454 H C 0.105 175.596 175.328 0.271 0.000 1.187 454 H CA 0.380 56.481 56.048 0.089 0.000 1.144 454 H CB -0.461 29.453 29.762 0.254 0.000 1.354 454 H HN 0.564 nan 8.280 nan 0.000 0.395 455 R N -1.928 118.741 120.500 0.282 0.000 3.776 455 R HA -0.141 4.200 4.340 0.002 0.000 0.312 455 R C -0.277 176.100 176.300 0.129 0.000 1.181 455 R CA 1.087 57.345 56.100 0.262 0.000 0.836 455 R CB -2.057 28.293 30.300 0.083 0.000 1.324 455 R HN 0.622 nan 8.270 nan 0.000 0.501 456 N N 0.045 118.596 118.700 -0.248 0.000 2.934 456 N HA 0.135 4.876 4.740 0.002 0.000 0.253 456 N C -1.234 173.407 175.510 -1.447 0.000 1.466 456 N CA -0.801 51.584 53.050 -1.108 0.000 0.858 456 N CB 1.081 38.727 38.487 -1.402 0.000 1.459 456 N HN 0.062 nan 8.380 nan 0.000 0.532 457 N N 0.733 118.587 118.700 -1.409 0.000 2.427 457 N HA 0.050 4.791 4.740 0.002 0.000 0.269 457 N C -1.395 173.901 175.510 -0.356 0.000 1.235 457 N CA 0.604 53.238 53.050 -0.693 0.000 0.934 457 N CB -0.115 38.138 38.487 -0.390 0.000 1.121 457 N HN 0.395 nan 8.380 nan 0.000 0.480 458 Y N 5.371 125.568 120.300 -0.172 0.000 2.705 458 Y HA 0.319 4.870 4.550 0.002 0.000 0.355 458 Y C -1.812 174.064 175.900 -0.040 0.000 1.039 458 Y CA -2.209 55.884 58.100 -0.013 0.000 1.233 458 Y CB 1.556 40.145 38.460 0.216 0.000 1.103 458 Y HN 0.660 nan 8.280 nan 0.000 0.624 459 P HA -0.295 nan 4.420 nan 0.000 0.216 459 P C 1.487 178.680 177.300 -0.178 0.000 1.157 459 P CA 2.485 65.398 63.100 -0.312 0.000 0.880 459 P CB 0.293 31.305 31.700 -1.147 0.000 0.791 460 A N -1.920 120.860 122.820 -0.067 0.000 1.948 460 A HA -0.244 4.078 4.320 0.002 0.000 0.220 460 A C 2.092 179.635 177.584 -0.068 0.000 1.177 460 A CA 1.714 53.828 52.037 0.128 0.000 0.636 460 A CB -1.839 17.262 19.000 0.168 0.000 0.815 460 A HN 0.232 nan 8.150 nan 0.000 0.449 461 Y N -0.935 119.350 120.300 -0.025 0.000 2.347 461 Y HA 0.132 4.684 4.550 0.002 0.000 0.294 461 Y C 2.858 178.715 175.900 -0.072 0.000 1.117 461 Y CA 0.517 58.520 58.100 -0.160 0.000 1.184 461 Y CB -0.197 38.039 38.460 -0.372 0.000 1.047 461 Y HN 0.324 nan 8.280 nan 0.000 0.546 462 A N -0.171 122.752 122.820 0.172 0.000 1.883 462 A HA -0.193 4.129 4.320 0.002 0.000 0.217 462 A C 2.345 180.024 177.584 0.159 0.000 1.186 462 A CA 1.956 54.089 52.037 0.159 0.000 0.624 462 A CB -1.278 17.839 19.000 0.194 0.000 0.822 462 A HN 0.244 nan 8.150 nan 0.000 0.444 463 V N -0.234 119.807 119.914 0.212 0.000 2.317 463 V HA -0.278 3.844 4.120 0.002 0.000 0.251 463 V C 2.701 178.947 176.094 0.254 0.000 1.065 463 V CA 2.301 64.787 62.300 0.311 0.000 1.049 463 V CB -1.178 30.869 31.823 0.374 0.000 0.651 463 V HN 0.662 nan 8.190 nan 0.000 0.450 464 G N -0.965 107.933 108.800 0.163 0.000 2.394 464 G HA2 -0.070 3.891 3.960 0.002 0.000 0.215 464 G HA3 -0.070 3.891 3.960 0.002 0.000 0.215 464 G C 1.601 176.568 174.900 0.112 0.000 1.165 464 G CA 0.746 45.928 45.100 0.136 0.000 0.784 464 G HN 0.595 nan 8.290 nan 0.000 0.535 465 G N 0.890 109.739 108.800 0.082 0.000 2.422 465 G HA2 -0.118 3.843 3.960 0.002 0.000 0.218 465 G HA3 -0.118 3.843 3.960 0.002 0.000 0.218 465 G C 1.793 176.703 174.900 0.016 0.000 1.146 465 G CA 0.601 45.754 45.100 0.089 0.000 0.769 465 G HN 0.406 nan 8.290 nan 0.000 0.547 466 L N 0.417 121.597 121.223 -0.071 0.000 2.083 466 L HA -0.075 4.266 4.340 0.002 0.000 0.209 466 L C 2.547 179.181 176.870 -0.394 0.000 1.083 466 L CA 1.053 55.666 54.840 -0.379 0.000 0.752 466 L CB -0.340 41.277 42.059 -0.737 0.000 0.899 466 L HN 0.088 nan 8.230 nan 0.000 0.433 467 D N 0.095 120.435 120.400 -0.100 0.000 2.154 467 D HA -0.210 4.431 4.640 0.002 0.000 0.190 467 D C 2.003 178.345 176.300 0.070 0.000 1.003 467 D CA 1.807 55.877 54.000 0.116 0.000 0.849 467 D CB -0.376 40.543 40.800 0.198 0.000 0.942 467 D HN 0.420 nan 8.370 nan 0.000 0.446 468 G N 0.554 109.405 108.800 0.085 0.000 2.434 468 G HA2 -0.105 3.856 3.960 0.002 0.000 0.214 468 G HA3 -0.105 3.856 3.960 0.002 0.000 0.214 468 G C 1.748 176.699 174.900 0.084 0.000 1.202 468 G CA 1.554 46.752 45.100 0.163 0.000 0.788 468 G HN 0.417 nan 8.290 nan 0.000 0.539 469 A N -0.087 122.628 122.820 -0.175 0.000 1.883 469 A HA -0.100 4.222 4.320 0.002 0.000 0.217 469 A C 2.482 179.903 177.584 -0.271 0.000 1.186 469 A CA 2.692 54.458 52.037 -0.451 0.000 0.624 469 A CB -1.277 17.148 19.000 -0.958 0.000 0.822 469 A HN 0.347 nan 8.150 nan 0.000 0.444 470 T N 0.091 114.482 114.554 -0.272 0.000 2.684 470 T HA -0.095 4.256 4.350 0.002 0.000 0.267 470 T C 1.113 175.795 174.700 -0.029 0.000 1.036 470 T CA 1.154 63.132 62.100 -0.203 0.000 1.148 470 T CB -0.583 68.148 68.868 -0.228 0.000 0.863 470 T HN 0.507 nan 8.240 nan 0.000 0.436 474 Y N 2.749 123.046 120.300 -0.004 0.000 2.145 474 Y HA -0.191 4.361 4.550 0.004 0.000 0.286 474 Y C 2.616 178.565 175.900 0.082 0.000 1.145 474 Y CA 2.379 60.496 58.100 0.027 0.000 1.148 474 Y CB -0.038 38.427 38.460 0.008 0.000 0.981 474 Y HN 0.138 nan 8.280 nan 0.000 0.507 475 L N -0.538 120.625 121.223 -0.101 0.000 2.043 475 L HA -0.243 4.098 4.340 0.002 0.000 0.212 475 L C 1.730 178.446 176.870 -0.255 0.000 1.075 475 L CA 1.912 56.618 54.840 -0.223 0.000 0.752 475 L CB -0.621 41.475 42.059 0.061 0.000 0.891 475 L HN 0.284 nan 8.230 nan 0.000 0.432 476 F N -1.076 118.827 119.950 -0.079 0.000 2.789 476 F HA 0.136 4.667 4.527 0.006 0.000 0.300 476 F C 1.661 177.437 175.800 -0.041 0.000 1.132 476 F CA 0.123 58.107 58.000 -0.027 0.000 1.404 476 F CB -0.589 38.443 39.000 0.052 0.000 1.114 476 F HN 0.055 nan 8.300 nan 0.000 0.584 477 S N 0.704 116.440 115.700 0.059 0.000 2.573 477 S HA 0.149 4.620 4.470 0.002 0.000 0.277 477 S C 0.689 175.300 174.600 0.018 0.000 1.346 477 S CA -0.654 57.588 58.200 0.070 0.000 1.034 477 S CB 0.318 63.575 63.200 0.095 0.000 0.879 477 S HN 0.434 nan 8.310 nan 0.000 0.528 478 R N -0.049 120.477 120.500 0.044 0.000 3.251 478 R HA -0.125 4.216 4.340 0.002 0.000 0.249 478 R C -0.528 175.774 176.300 0.004 0.000 0.949 478 R CA 1.020 57.128 56.100 0.013 0.000 0.645 478 R CB -2.521 27.773 30.300 -0.010 0.000 1.065 478 R HN 0.821 nan 8.270 nan 0.000 0.452 479 T N -2.108 112.463 114.554 0.029 0.000 2.840 479 T HA 0.154 4.505 4.350 0.002 0.000 0.317 479 T C 0.978 175.714 174.700 0.061 0.000 1.401 479 T CA -0.150 61.967 62.100 0.029 0.000 1.028 479 T CB 1.583 70.456 68.868 0.008 0.000 1.317 479 T HN 0.187 nan 8.240 nan 0.000 0.495 480 S N 1.142 116.875 115.700 0.056 0.000 2.465 480 S HA -0.024 4.447 4.470 0.002 0.000 0.241 480 S C 1.373 176.037 174.600 0.106 0.000 1.000 480 S CA 1.090 59.331 58.200 0.068 0.000 0.964 480 S CB -0.497 62.736 63.200 0.056 0.000 0.763 480 S HN 0.599 nan 8.310 nan 0.000 0.512 481 L N 1.136 122.452 121.223 0.156 0.000 2.667 481 L HA 0.451 4.792 4.340 0.002 0.000 0.232 481 L C 1.169 178.228 176.870 0.316 0.000 1.138 481 L CA -0.205 54.796 54.840 0.269 0.000 0.921 481 L CB -0.413 41.891 42.059 0.410 0.000 1.180 481 L HN 0.312 nan 8.230 nan 0.000 0.487 482 A N 0.887 123.832 122.820 0.208 0.000 2.483 482 A HA 0.337 4.659 4.320 0.002 0.000 0.238 482 A C 0.508 178.156 177.584 0.107 0.000 1.070 482 A CA -0.242 51.903 52.037 0.180 0.000 0.770 482 A CB 0.233 19.310 19.000 0.129 0.000 1.008 482 A HN 0.122 nan 8.150 nan 0.000 0.497 483 V N 1.517 121.473 119.914 0.070 0.000 3.051 483 V HA 0.499 4.620 4.120 0.002 0.000 0.306 483 V C 0.768 176.872 176.094 0.017 0.000 1.083 483 V CA -0.249 62.051 62.300 -0.001 0.000 1.104 483 V CB 0.385 32.171 31.823 -0.061 0.000 1.027 483 V HN 1.422 nan 8.190 nan 0.000 0.483 484 S N 1.360 117.040 115.700 -0.033 0.000 2.569 484 S HA 0.041 4.512 4.470 0.002 0.000 0.274 484 S C 0.954 175.543 174.600 -0.018 0.000 1.353 484 S CA 0.637 58.813 58.200 -0.041 0.000 1.023 484 S CB 0.451 63.588 63.200 -0.104 0.000 0.876 484 S HN 0.970 nan 8.310 nan 0.000 0.540 485 E N -0.145 120.038 120.200 -0.028 0.000 2.118 485 E HA -0.186 4.166 4.350 0.002 0.000 0.195 485 E C 1.787 178.367 176.600 -0.034 0.000 0.992 485 E CA 1.228 57.607 56.400 -0.035 0.000 0.804 485 E CB -0.174 29.495 29.700 -0.052 0.000 0.741 485 E HN 0.700 nan 8.360 nan 0.000 0.458 486 L N 0.839 122.026 121.223 -0.061 0.000 2.012 486 L HA -0.180 4.161 4.340 0.002 0.000 0.210 486 L C 2.278 179.099 176.870 -0.081 0.000 1.073 486 L CA 2.331 57.124 54.840 -0.077 0.000 0.748 486 L CB -0.754 41.240 42.059 -0.108 0.000 0.891 486 L HN 0.103 nan 8.230 nan 0.000 0.431 487 A N -1.643 121.120 122.820 -0.094 0.000 1.877 487 A HA -0.301 4.020 4.320 0.002 0.000 0.216 487 A C 2.311 179.840 177.584 -0.092 0.000 1.186 487 A CA 1.888 53.860 52.037 -0.108 0.000 0.620 487 A CB -1.129 17.795 19.000 -0.126 0.000 0.822 487 A HN 0.726 nan 8.150 nan 0.000 0.443 488 H N -0.872 118.115 119.070 -0.138 0.000 2.321 488 H HA -0.122 4.435 4.556 0.002 0.000 0.300 488 H C 2.380 177.619 175.328 -0.148 0.000 1.087 488 H CA 1.750 57.717 56.048 -0.134 0.000 1.319 488 H CB -0.002 29.709 29.762 -0.085 0.000 1.379 488 H HN 0.466 nan 8.280 nan 0.000 0.501 489 R N -0.195 120.342 120.500 0.062 0.000 2.092 489 R HA -0.111 4.231 4.340 0.002 0.000 0.231 489 R C 1.922 178.177 176.300 -0.076 0.000 1.119 489 R CA 1.835 57.926 56.100 -0.015 0.000 0.970 489 R CB -0.210 30.064 30.300 -0.043 0.000 0.864 489 R HN 0.297 nan 8.270 nan 0.000 0.440 490 T N 0.526 115.016 114.554 -0.107 0.000 2.652 490 T HA -0.132 4.220 4.350 0.002 0.000 0.267 490 T C 1.851 176.392 174.700 -0.266 0.000 1.039 490 T CA 1.718 63.729 62.100 -0.147 0.000 1.153 490 T CB -0.262 68.533 68.868 -0.122 0.000 0.863 490 T HN 0.062 nan 8.240 nan 0.000 0.428 491 V N 1.712 121.383 119.914 -0.405 0.000 2.343 491 V HA -0.191 3.930 4.120 0.002 0.000 0.247 491 V C 2.502 178.349 176.094 -0.411 0.000 1.051 491 V CA 1.808 63.725 62.300 -0.639 0.000 1.036 491 V CB -0.633 30.762 31.823 -0.713 0.000 0.654 491 V HN 0.459 nan 8.190 nan 0.000 0.451 492 K N 0.065 120.322 120.400 -0.239 0.000 2.032 492 K HA -0.264 4.057 4.320 0.002 0.000 0.209 492 K C 1.845 178.372 176.600 -0.122 0.000 1.048 492 K CA 2.153 58.355 56.287 -0.142 0.000 0.927 492 K CB -0.268 32.216 32.500 -0.026 0.000 0.712 492 K HN 0.434 nan 8.250 nan 0.000 0.441 493 D N 0.127 120.458 120.400 -0.114 0.000 2.178 493 D HA -0.114 4.527 4.640 0.002 0.000 0.202 493 D C 1.942 178.197 176.300 -0.076 0.000 0.974 493 D CA 0.810 54.761 54.000 -0.081 0.000 0.841 493 D CB -0.049 40.707 40.800 -0.073 0.000 0.953 493 D HN 0.054 nan 8.370 nan 0.000 0.478 494 V N 0.921 120.758 119.914 -0.128 0.000 2.295 494 V HA -0.209 3.912 4.120 0.002 0.000 0.246 494 V C 2.610 178.655 176.094 -0.082 0.000 1.049 494 V CA 1.145 63.393 62.300 -0.086 0.000 1.024 494 V CB -0.376 31.337 31.823 -0.183 0.000 0.648 494 V HN 0.178 nan 8.190 nan 0.000 0.447 495 L N -0.960 120.161 121.223 -0.171 0.000 2.093 495 L HA -0.156 4.186 4.340 0.002 0.000 0.208 495 L C 2.333 179.250 176.870 0.077 0.000 1.085 495 L CA 1.358 56.098 54.840 -0.167 0.000 0.755 495 L CB -0.409 41.349 42.059 -0.501 0.000 0.904 495 L HN 0.287 nan 8.230 nan 0.000 0.435 496 L N -0.593 120.663 121.223 0.054 0.000 2.093 496 L HA -0.077 4.264 4.340 0.002 0.000 0.208 496 L C 1.737 178.649 176.870 0.069 0.000 1.085 496 L CA 0.256 55.157 54.840 0.102 0.000 0.755 496 L CB -0.538 41.550 42.059 0.048 0.000 0.904 496 L HN 0.216 nan 8.230 nan 0.000 0.435 500 F N 1.447 121.292 119.950 -0.176 0.000 2.149 500 F HA 0.006 4.534 4.527 0.002 0.000 0.294 500 F C 2.046 177.816 175.800 -0.050 0.000 1.095 500 F CA 1.996 59.932 58.000 -0.107 0.000 1.276 500 F CB -0.050 38.911 39.000 -0.066 0.000 1.023 500 F HN 0.197 nan 8.300 nan 0.000 0.480 501 Y N -1.613 118.825 120.300 0.230 0.000 2.475 501 Y HA 0.218 4.769 4.550 0.002 0.000 0.289 501 Y C 0.967 176.917 175.900 0.083 0.000 1.121 501 Y CA -1.125 57.054 58.100 0.132 0.000 1.257 501 Y CB -1.403 37.130 38.460 0.122 0.000 1.026 501 Y HN -0.170 nan 8.280 nan 0.000 0.555 502 C N 2.455 121.823 119.300 0.113 0.000 2.534 502 C HA 0.419 4.880 4.460 0.002 0.000 0.385 502 C C -0.104 174.897 174.990 0.017 0.000 1.264 502 C CA -0.403 58.701 59.018 0.142 0.000 2.342 502 C CB 0.271 28.084 27.740 0.121 0.000 2.564 502 C HN 0.600 nan 8.230 nan 0.000 0.603 503 N N 0.459 119.165 118.700 0.010 0.000 2.616 503 N HA 0.167 4.908 4.740 0.002 0.000 0.281 503 N C 0.056 175.543 175.510 -0.037 0.000 1.145 503 N CA -0.347 52.678 53.050 -0.041 0.000 0.919 503 N CB 0.941 39.406 38.487 -0.038 0.000 1.509 503 N HN 0.684 nan 8.380 nan 0.000 0.537 504 K N 2.074 122.438 120.400 -0.061 0.000 2.044 504 K HA 0.139 4.460 4.320 0.002 0.000 0.204 504 K C 0.602 177.145 176.600 -0.094 0.000 1.049 504 K CA 1.090 57.322 56.287 -0.092 0.000 0.945 504 K CB 0.283 32.721 32.500 -0.103 0.000 0.724 504 K HN 0.419 nan 8.250 nan 0.000 0.440 505 L N 0.494 121.664 121.223 -0.089 0.000 2.609 505 L HA 0.132 4.473 4.340 0.002 0.000 0.230 505 L C -0.201 176.607 176.870 -0.103 0.000 1.087 505 L CA 0.077 54.861 54.840 -0.093 0.000 0.874 505 L CB 0.020 42.012 42.059 -0.112 0.000 1.114 505 L HN -0.007 nan 8.230 nan 0.000 0.488 506 N N -0.141 118.498 118.700 -0.102 0.000 2.525 506 N HA 0.252 4.993 4.740 0.002 0.000 0.271 506 N C -0.636 174.881 175.510 0.011 0.000 1.194 506 N CA -0.186 52.769 53.050 -0.159 0.000 0.964 506 N CB 0.273 38.698 38.487 -0.102 0.000 1.126 506 N HN -0.069 nan 8.380 nan 0.000 0.452 507 F N 0.901 120.888 119.950 0.062 0.000 2.518 507 F HA 0.211 4.739 4.527 0.002 0.000 0.359 507 F C -1.439 174.367 175.800 0.009 0.000 1.118 507 F CA -1.825 56.230 58.000 0.090 0.000 1.287 507 F CB 0.094 39.153 39.000 0.097 0.000 1.132 507 F HN 0.239 nan 8.300 nan 0.000 0.587 508 P HA -0.019 nan 4.420 nan 0.000 0.272 508 P C 0.537 177.815 177.300 -0.037 0.000 1.230 508 P CA -0.391 62.728 63.100 0.031 0.000 0.788 508 P CB 0.736 32.454 31.700 0.031 0.000 0.949 509 L N 1.963 123.069 121.223 -0.195 0.000 2.013 509 L HA -0.157 4.184 4.340 0.002 0.000 0.212 509 L C 0.931 177.762 176.870 -0.064 0.000 1.073 509 L CA 1.917 56.599 54.840 -0.262 0.000 0.753 509 L CB -1.327 40.433 42.059 -0.498 0.000 0.890 509 L HN 0.452 nan 8.230 nan 0.000 0.432 513 G N 3.589 112.353 108.800 -0.059 0.000 2.596 513 G HA2 -0.419 3.542 3.960 0.002 0.000 0.304 513 G HA3 -0.419 3.542 3.960 0.002 0.000 0.304 513 G C 0.451 175.330 174.900 -0.034 0.000 1.189 513 G CA 0.905 45.902 45.100 -0.173 0.000 0.986 513 G HN 0.793 nan 8.290 nan 0.000 0.548 514 R N 0.560 121.037 120.500 -0.038 0.000 2.359 514 R HA 0.282 4.623 4.340 0.002 0.000 0.231 514 R C 0.280 176.325 176.300 -0.426 0.000 0.913 514 R CA 0.678 56.603 56.100 -0.291 0.000 1.075 514 R CB 0.025 30.049 30.300 -0.461 0.000 1.087 514 R HN 0.636 nan 8.270 nan 0.000 0.515 515 H N 1.943 121.101 119.070 0.146 0.000 2.317 515 H HA 0.240 4.798 4.556 0.002 0.000 0.231 515 H C -2.301 173.148 175.328 0.202 0.000 1.442 515 H CA -2.186 53.968 56.048 0.177 0.000 1.336 515 H CB 1.335 31.185 29.762 0.147 0.000 1.533 515 H HN 0.177 nan 8.280 nan 0.000 0.522 516 P HA 0.041 nan 4.420 nan 0.000 0.225 516 P C 0.118 177.669 177.300 0.418 0.000 1.768 516 P CA -0.040 63.245 63.100 0.310 0.000 0.943 516 P CB -0.274 31.666 31.700 0.400 0.000 1.936 517 D N -1.080 119.531 120.400 0.351 0.000 2.360 517 D HA 0.114 4.756 4.640 0.002 0.000 0.210 517 D C 1.459 177.968 176.300 0.347 0.000 1.047 517 D CA 0.139 54.365 54.000 0.376 0.000 0.854 517 D CB -0.643 40.329 40.800 0.288 0.000 0.936 517 D HN 0.223 nan 8.370 nan 0.000 0.514 518 G N 0.654 109.572 108.800 0.196 0.000 2.160 518 G HA2 -0.357 3.604 3.960 0.002 0.000 0.251 518 G HA3 -0.357 3.604 3.960 0.002 0.000 0.251 518 G C 0.911 175.855 174.900 0.073 0.000 1.008 518 G CA 0.671 45.831 45.100 0.099 0.000 0.724 518 G HN 0.442 nan 8.290 nan 0.000 0.514 519 K N -0.197 120.236 120.400 0.055 0.000 2.329 519 K HA 0.211 4.533 4.320 0.002 0.000 0.198 519 K C 1.747 178.267 176.600 -0.133 0.000 1.085 519 K CA 0.252 56.535 56.287 -0.007 0.000 0.961 519 K CB 0.297 32.817 32.500 0.032 0.000 0.971 519 K HN 0.423 nan 8.250 nan 0.000 0.502 520 G N 2.670 111.372 108.800 -0.162 0.000 2.265 520 G HA2 -0.044 3.917 3.960 0.002 0.000 0.240 520 G HA3 -0.044 3.917 3.960 0.002 0.000 0.240 520 G C -0.519 173.679 174.900 -1.169 0.000 1.270 520 G CA 0.323 45.136 45.100 -0.478 0.000 0.901 520 G HN 0.106 nan 8.290 nan 0.000 0.507 521 K N 0.597 120.407 120.400 -0.984 0.000 2.480 521 K HA 0.449 4.770 4.320 0.002 0.000 0.258 521 K C -0.249 176.158 176.600 -0.323 0.000 0.990 521 K CA -0.970 54.903 56.287 -0.691 0.000 0.857 521 K CB 1.912 34.234 32.500 -0.296 0.000 1.384 521 K HN 0.428 nan 8.250 nan 0.000 0.446 522 L N -1.190 120.017 121.223 -0.026 0.000 2.453 522 L HA 0.422 4.763 4.340 0.002 0.000 0.261 522 L C -0.260 176.660 176.870 0.084 0.000 1.179 522 L CA -0.439 54.528 54.840 0.212 0.000 0.813 522 L CB 0.257 42.480 42.059 0.274 0.000 1.110 522 L HN 0.183 nan 8.230 nan 0.000 0.466 523 V N 2.126 122.071 119.914 0.050 0.000 2.318 523 V HA 0.375 4.496 4.120 0.002 0.000 0.271 523 V C -1.819 174.245 176.094 -0.052 0.000 1.030 523 V CA -1.323 60.868 62.300 -0.183 0.000 0.844 523 V CB 0.360 31.818 31.823 -0.607 0.000 1.015 523 V HN 0.762 nan 8.190 nan 0.000 0.460 527 Y N 1.565 121.928 120.300 0.104 0.000 2.220 527 Y HA 0.034 4.585 4.550 0.002 0.000 0.291 527 Y C 2.715 178.564 175.900 -0.086 0.000 1.129 527 Y CA 1.202 59.335 58.100 0.055 0.000 1.161 527 Y CB -0.186 38.367 38.460 0.155 0.000 0.997 527 Y HN 0.308 nan 8.280 nan 0.000 0.522 528 A N 0.336 123.072 122.820 -0.140 0.000 1.902 528 A HA -0.075 4.246 4.320 0.002 0.000 0.217 528 A C 1.388 178.778 177.584 -0.324 0.000 1.181 528 A CA 0.724 52.438 52.037 -0.538 0.000 0.623 528 A CB -0.815 17.514 19.000 -1.119 0.000 0.818 528 A HN 0.209 nan 8.150 nan 0.000 0.443 532 I N -1.221 119.353 120.570 0.006 0.000 3.684 532 I HA 0.504 4.675 4.170 0.002 0.000 0.304 532 I C 1.674 177.861 176.117 0.117 0.000 1.278 532 I CA 1.000 62.313 61.300 0.022 0.000 1.272 532 I CB 0.297 38.261 38.000 -0.060 0.000 1.029 532 I HN 0.203 nan 8.210 nan 0.000 0.458 533 A N 1.545 124.467 122.820 0.170 0.000 2.067 533 A HA 0.487 4.809 4.320 0.002 0.000 0.217 533 A C 1.496 179.211 177.584 0.218 0.000 1.156 533 A CA 0.760 52.979 52.037 0.304 0.000 0.683 533 A CB -0.887 18.263 19.000 0.249 0.000 0.808 533 A HN 0.810 nan 8.150 nan 0.000 0.455 534 G N -1.272 107.604 108.800 0.127 0.000 2.756 534 G HA2 0.076 4.037 3.960 0.002 0.000 0.678 534 G HA3 0.076 4.037 3.960 0.002 0.000 0.678 534 G C 0.042 174.941 174.900 -0.000 0.000 1.349 534 G CA -0.226 44.904 45.100 0.050 0.000 0.847 534 G HN 1.413 nan 8.290 nan 0.000 0.548 535 T N -0.620 113.893 114.554 -0.068 0.000 2.926 535 T HA 0.481 4.832 4.350 0.002 0.000 0.307 535 T C -0.901 173.533 174.700 -0.443 0.000 1.059 535 T CA -0.227 61.770 62.100 -0.172 0.000 1.122 535 T CB 1.378 70.197 68.868 -0.082 0.000 0.972 535 T HN 0.367 nan 8.240 nan 0.000 0.545 536 P HA -0.148 nan 4.420 nan 0.000 0.217 536 P C 1.118 178.221 177.300 -0.328 0.000 1.148 536 P CA 1.323 63.968 63.100 -0.758 0.000 0.834 536 P CB -0.058 31.428 31.700 -0.356 0.000 0.783 537 D N -2.191 118.091 120.400 -0.197 0.000 2.317 537 D HA 0.029 4.670 4.640 0.002 0.000 0.211 537 D C 1.540 177.794 176.300 -0.078 0.000 0.966 537 D CA 1.071 55.008 54.000 -0.103 0.000 0.876 537 D CB -1.033 39.727 40.800 -0.067 0.000 0.927 537 D HN 0.247 nan 8.370 nan 0.000 0.519 538 G N 0.424 109.165 108.800 -0.098 0.000 2.175 538 G HA2 -0.361 3.600 3.960 0.002 0.000 0.244 538 G HA3 -0.361 3.600 3.960 0.002 0.000 0.244 538 G C 1.080 175.961 174.900 -0.031 0.000 0.982 538 G CA 0.399 45.469 45.100 -0.050 0.000 0.641 538 G HN 0.450 nan 8.290 nan 0.000 0.527 539 K N 0.398 120.780 120.400 -0.031 0.000 2.365 539 K HA 0.266 4.587 4.320 0.002 0.000 0.197 539 K C 1.458 178.059 176.600 0.001 0.000 1.042 539 K CA 0.632 56.912 56.287 -0.012 0.000 0.987 539 K CB 0.314 32.808 32.500 -0.009 0.000 0.779 539 K HN 0.429 nan 8.250 nan 0.000 0.484 540 G N 0.616 109.417 108.800 0.001 0.000 2.415 540 G HA2 0.143 4.104 3.960 0.002 0.000 0.327 540 G HA3 0.143 4.104 3.960 0.002 0.000 0.327 540 G C -0.735 174.170 174.900 0.008 0.000 1.182 540 G CA -0.540 44.580 45.100 0.034 0.000 0.924 540 G HN -0.102 nan 8.290 nan 0.000 0.470 541 D N 0.695 121.091 120.400 -0.006 0.000 2.144 541 D HA 0.001 4.643 4.640 0.002 0.000 0.200 541 D C 0.172 176.265 176.300 -0.344 0.000 0.978 541 D CA 1.298 55.185 54.000 -0.188 0.000 0.833 541 D CB 0.073 40.722 40.800 -0.253 0.000 0.961 541 D HN 0.357 nan 8.370 nan 0.000 0.470 542 F N 0.089 120.109 119.950 0.116 0.000 2.538 542 F HA 0.268 4.797 4.527 0.004 0.000 0.325 542 F C 0.255 176.084 175.800 0.050 0.000 1.066 542 F CA -1.230 56.822 58.000 0.086 0.000 0.946 542 F CB 1.377 40.492 39.000 0.193 0.000 1.199 542 F HN -0.315 nan 8.300 nan 0.000 0.473 543 D N 2.489 122.991 120.400 0.169 0.000 2.396 543 D HA 0.062 4.703 4.640 0.002 0.000 0.225 543 D C 0.774 177.081 176.300 0.011 0.000 1.121 543 D CA -0.028 54.023 54.000 0.084 0.000 0.853 543 D CB 1.176 42.013 40.800 0.062 0.000 1.043 543 D HN 0.445 nan 8.370 nan 0.000 0.500 544 K N 3.079 123.544 120.400 0.108 0.000 2.057 544 K HA -0.135 4.186 4.320 0.002 0.000 0.207 544 K C 0.139 176.778 176.600 0.066 0.000 1.049 544 K CA 1.022 57.407 56.287 0.163 0.000 0.931 544 K CB 0.233 32.898 32.500 0.275 0.000 0.714 544 K HN 0.452 nan 8.250 nan 0.000 0.440 548 S N 1.293 116.982 115.700 -0.019 0.000 2.406 548 S HA 0.239 4.710 4.470 0.002 0.000 0.228 548 S C 1.973 176.566 174.600 -0.012 0.000 1.020 548 S CA 1.405 59.623 58.200 0.031 0.000 0.965 548 S CB -0.406 62.835 63.200 0.069 0.000 0.798 548 S HN 1.415 nan 8.310 nan 0.000 0.488 549 A N 1.356 124.176 122.820 -0.001 0.000 1.902 549 A HA -0.054 4.267 4.320 0.002 0.000 0.217 549 A C 2.019 179.494 177.584 -0.181 0.000 1.181 549 A CA 1.549 53.537 52.037 -0.082 0.000 0.623 549 A CB -1.173 17.831 19.000 0.007 0.000 0.818 549 A HN 0.595 nan 8.150 nan 0.000 0.443 550 Y N 0.549 120.764 120.300 -0.143 0.000 2.114 550 Y HA -0.147 4.405 4.550 0.003 0.000 0.284 550 Y C 1.864 177.684 175.900 -0.133 0.000 1.143 550 Y CA 1.930 59.951 58.100 -0.133 0.000 1.135 550 Y CB -0.368 38.077 38.460 -0.025 0.000 0.980 550 Y HN 0.190 nan 8.280 nan 0.000 0.499 551 L N 0.200 121.298 121.223 -0.208 0.000 2.362 551 L HA -0.141 4.200 4.340 0.002 0.000 0.219 551 L C 2.686 179.401 176.870 -0.259 0.000 1.134 551 L CA 1.141 55.824 54.840 -0.261 0.000 0.807 551 L CB -0.464 41.572 42.059 -0.039 0.000 0.927 551 L HN 0.218 nan 8.230 nan 0.000 0.447 552 R N 0.639 120.999 120.500 -0.233 0.000 2.093 552 R HA -0.077 4.264 4.340 0.002 0.000 0.224 552 R C 2.180 178.323 176.300 -0.261 0.000 1.101 552 R CA 0.938 56.913 56.100 -0.209 0.000 0.979 552 R CB -0.002 30.191 30.300 -0.178 0.000 0.877 552 R HN 0.331 nan 8.270 nan 0.000 0.441 553 L N 0.752 121.763 121.223 -0.354 0.000 2.291 553 L HA -0.038 4.303 4.340 0.002 0.000 0.214 553 L C 1.837 178.508 176.870 -0.331 0.000 1.120 553 L CA 0.482 55.115 54.840 -0.345 0.000 0.799 553 L CB 0.152 41.967 42.059 -0.407 0.000 0.925 553 L HN 0.141 nan 8.230 nan 0.000 0.446 554 V N -4.456 115.201 119.914 -0.428 0.000 3.483 554 V HA 0.210 4.331 4.120 0.002 0.000 0.301 554 V C 1.054 177.007 176.094 -0.234 0.000 1.389 554 V CA -0.370 61.722 62.300 -0.346 0.000 1.101 554 V CB -0.373 31.165 31.823 -0.475 0.000 0.971 554 V HN 0.310 nan 8.190 nan 0.000 0.434 555 S N 1.527 117.100 115.700 -0.212 0.000 2.546 555 S HA 0.138 4.610 4.470 0.002 0.000 0.290 555 S C 1.379 175.912 174.600 -0.111 0.000 1.290 555 S CA 0.371 58.484 58.200 -0.145 0.000 1.069 555 S CB 1.117 64.239 63.200 -0.130 0.000 0.846 555 S HN 0.858 nan 8.310 nan 0.000 0.495 556 S N 2.198 117.847 115.700 -0.085 0.000 2.357 556 S HA -0.070 4.402 4.470 0.002 0.000 0.221 556 S C 0.817 175.382 174.600 -0.059 0.000 1.031 556 S CA 0.452 58.612 58.200 -0.067 0.000 0.982 556 S CB -1.211 61.958 63.200 -0.052 0.000 0.853 556 S HN 1.124 nan 8.310 nan 0.000 0.458 570 K N 0.220 120.605 120.400 -0.024 0.000 2.213 570 K HA 0.744 5.065 4.320 0.002 0.000 0.270 570 K C -0.649 175.943 176.600 -0.013 0.000 1.002 570 K CA -0.822 55.456 56.287 -0.015 0.000 0.868 570 K CB 2.373 34.861 32.500 -0.020 0.000 1.093 570 K HN 0.342 nan 8.250 nan 0.000 0.454 571 V N 1.558 121.474 119.914 0.003 0.000 3.147 571 V HA 0.270 4.391 4.120 0.002 0.000 0.306 571 V C 0.565 176.664 176.094 0.009 0.000 1.209 571 V CA -0.113 62.194 62.300 0.011 0.000 1.023 571 V CB 2.280 34.131 31.823 0.046 0.000 1.059 571 V HN 1.046 nan 8.190 nan 0.000 0.435 572 S N 3.902 119.606 115.700 0.007 0.000 2.398 572 S HA 0.074 4.546 4.470 0.002 0.000 0.220 572 S C 0.897 175.498 174.600 0.003 0.000 1.046 572 S CA 0.968 59.170 58.200 0.003 0.000 0.953 572 S CB -0.619 62.582 63.200 0.001 0.000 0.856 572 S HN 0.982 nan 8.310 nan 0.000 0.506 573 N N 1.308 120.012 118.700 0.006 0.000 2.447 573 N HA 0.352 5.093 4.740 0.002 0.000 0.263 573 N C 0.981 176.487 175.510 -0.007 0.000 1.226 573 N CA 0.490 53.541 53.050 0.001 0.000 0.906 573 N CB 0.908 39.397 38.487 0.004 0.000 1.060 573 N HN 0.407 nan 8.380 nan 0.000 0.468 574 A N 3.730 126.539 122.820 -0.019 0.000 1.877 574 A HA -0.235 4.086 4.320 0.002 0.000 0.216 574 A C 1.993 179.556 177.584 -0.035 0.000 1.186 574 A CA 1.504 53.522 52.037 -0.031 0.000 0.620 574 A CB -0.643 18.325 19.000 -0.053 0.000 0.822 574 A HN 0.912 nan 8.150 nan 0.000 0.443 575 Q N -0.115 119.661 119.800 -0.039 0.000 2.230 575 Q HA -0.180 4.161 4.340 0.002 0.000 0.202 575 Q C 1.725 177.693 176.000 -0.053 0.000 0.963 575 Q CA 1.618 57.395 55.803 -0.043 0.000 0.866 575 Q CB -0.513 28.200 28.738 -0.040 0.000 0.931 575 Q HN 0.864 nan 8.270 nan 0.000 0.452 576 E N 1.403 121.577 120.200 -0.043 0.000 2.107 576 E HA -0.164 4.187 4.350 0.002 0.000 0.191 576 E C 2.232 178.816 176.600 -0.025 0.000 0.982 576 E CA 0.555 56.924 56.400 -0.051 0.000 0.809 576 E CB 0.058 29.756 29.700 -0.003 0.000 0.756 576 E HN 0.306 nan 8.360 nan 0.000 0.459 577 R N 0.699 121.199 120.500 -0.000 0.000 2.120 577 R HA -0.120 4.221 4.340 0.002 0.000 0.234 577 R C 2.346 178.648 176.300 0.003 0.000 1.123 577 R CA 1.533 57.642 56.100 0.015 0.000 0.975 577 R CB 0.011 30.316 30.300 0.009 0.000 0.866 577 R HN 0.018 nan 8.270 nan 0.000 0.446 578 K N 0.375 120.766 120.400 -0.015 0.000 2.002 578 K HA -0.133 4.189 4.320 0.002 0.000 0.209 578 K C 1.973 178.564 176.600 -0.015 0.000 1.048 578 K CA 1.796 58.077 56.287 -0.011 0.000 0.930 578 K CB -0.120 32.371 32.500 -0.015 0.000 0.714 578 K HN 0.146 nan 8.250 nan 0.000 0.438 579 I N 0.938 121.474 120.570 -0.058 0.000 2.163 579 I HA -0.307 3.864 4.170 0.002 0.000 0.243 579 I C 2.490 178.562 176.117 -0.075 0.000 1.085 579 I CA 1.377 62.621 61.300 -0.095 0.000 1.347 579 I CB -0.465 37.405 38.000 -0.217 0.000 1.044 579 I HN 0.248 nan 8.210 nan 0.000 0.408 580 A N 0.514 123.300 122.820 -0.057 0.000 1.940 580 A HA -0.261 4.060 4.320 0.002 0.000 0.219 580 A C 2.418 180.039 177.584 0.061 0.000 1.176 580 A CA 1.856 53.929 52.037 0.060 0.000 0.631 580 A CB -0.547 18.571 19.000 0.197 0.000 0.814 580 A HN 0.356 nan 8.150 nan 0.000 0.446 581 K N -0.622 119.801 120.400 0.039 0.000 2.057 581 K HA -0.179 4.142 4.320 0.002 0.000 0.207 581 K C 2.345 178.969 176.600 0.040 0.000 1.049 581 K CA 1.561 57.870 56.287 0.036 0.000 0.931 581 K CB -0.161 32.355 32.500 0.028 0.000 0.714 581 K HN 0.440 nan 8.250 nan 0.000 0.440 582 R N 0.730 121.258 120.500 0.046 0.000 2.081 582 R HA -0.081 4.260 4.340 0.002 0.000 0.235 582 R C 2.280 178.604 176.300 0.041 0.000 1.131 582 R CA 1.270 57.415 56.100 0.075 0.000 0.960 582 R CB -0.231 30.149 30.300 0.133 0.000 0.856 582 R HN 0.172 nan 8.270 nan 0.000 0.436 583 L N -0.158 121.076 121.223 0.018 0.000 2.046 583 L HA -0.150 4.191 4.340 0.002 0.000 0.208 583 L C 2.354 179.291 176.870 0.111 0.000 1.077 583 L CA 0.962 55.809 54.840 0.012 0.000 0.747 583 L CB -0.414 41.619 42.059 -0.043 0.000 0.896 583 L HN 0.101 nan 8.230 nan 0.000 0.432 584 V N -0.214 119.744 119.914 0.073 0.000 2.358 584 V HA -0.249 3.872 4.120 0.002 0.000 0.246 584 V C 2.329 178.431 176.094 0.013 0.000 1.047 584 V CA 1.686 64.018 62.300 0.053 0.000 1.035 584 V CB -0.477 31.371 31.823 0.041 0.000 0.658 584 V HN 0.445 nan 8.190 nan 0.000 0.452 585 E N 0.278 120.484 120.200 0.010 0.000 2.150 585 E HA -0.188 4.163 4.350 0.002 0.000 0.193 585 E C 1.467 178.044 176.600 -0.040 0.000 0.985 585 E CA 1.239 57.636 56.400 -0.005 0.000 0.814 585 E CB -0.200 29.510 29.700 0.018 0.000 0.752 585 E HN 0.661 nan 8.360 nan 0.000 0.466 586 N N -0.735 117.922 118.700 -0.073 0.000 2.370 586 N HA 0.053 4.795 4.740 0.002 0.000 0.198 586 N C 0.472 175.764 175.510 -0.363 0.000 1.156 586 N CA 0.453 53.389 53.050 -0.191 0.000 0.839 586 N CB 0.986 39.279 38.487 -0.324 0.000 0.989 586 N HN 0.203 nan 8.380 nan 0.000 0.468 587 G N -0.221 108.439 108.800 -0.233 0.000 2.143 587 G HA2 -0.289 3.672 3.960 0.002 0.000 0.249 587 G HA3 -0.289 3.672 3.960 0.002 0.000 0.249 587 G C -0.073 174.645 174.900 -0.303 0.000 0.981 587 G CA -0.447 44.498 45.100 -0.259 0.000 0.665 587 G HN 0.259 nan 8.290 nan 0.000 0.528 588 F N 0.934 120.812 119.950 -0.119 0.000 2.429 588 F HA 0.639 5.167 4.527 0.002 0.000 0.348 588 F C 1.393 177.159 175.800 -0.057 0.000 1.109 588 F CA -0.096 57.849 58.000 -0.092 0.000 1.232 588 F CB 0.722 39.653 39.000 -0.114 0.000 1.157 588 F HN 0.020 nan 8.300 nan 0.000 0.564 589 R N 1.230 121.821 120.500 0.152 0.000 2.919 589 R HA 0.756 5.097 4.340 0.002 0.000 0.260 589 R C -0.768 175.567 176.300 0.059 0.000 1.067 589 R CA -1.401 54.740 56.100 0.068 0.000 1.003 589 R CB 1.474 31.787 30.300 0.021 0.000 1.192 589 R HN 0.688 nan 8.270 nan 0.000 0.488 590 A N 1.137 123.961 122.820 0.007 0.000 2.462 590 A HA 0.070 4.391 4.320 0.002 0.000 0.243 590 A C 0.012 177.581 177.584 -0.025 0.000 1.076 590 A CA -0.079 51.941 52.037 -0.029 0.000 0.773 590 A CB 0.068 19.029 19.000 -0.066 0.000 1.010 590 A HN 0.684 nan 8.150 nan 0.000 0.493 591 E N 1.989 122.167 120.200 -0.036 0.000 2.467 591 E HA 0.075 4.426 4.350 0.002 0.000 0.264 591 E C -1.887 174.679 176.600 -0.056 0.000 1.020 591 E CA -0.802 55.575 56.400 -0.038 0.000 0.945 591 E CB 0.227 29.893 29.700 -0.056 0.000 0.942 591 E HN 0.500 nan 8.360 nan 0.000 0.449 592 P HA 0.041 nan 4.420 nan 0.000 0.274 592 P C -0.787 176.459 177.300 -0.089 0.000 1.231 592 P CA -0.343 62.718 63.100 -0.065 0.000 0.790 592 P CB 0.506 32.175 31.700 -0.052 0.000 0.951 593 D N 2.877 123.208 120.400 -0.116 0.000 2.586 593 D HA 0.011 4.652 4.640 0.002 0.000 0.234 593 D C -1.740 174.453 176.300 -0.178 0.000 1.132 593 D CA -0.129 53.773 54.000 -0.162 0.000 0.860 593 D CB -0.443 40.246 40.800 -0.185 0.000 1.159 593 D HN 0.282 nan 8.370 nan 0.000 0.490 594 P HA -0.027 nan 4.420 nan 0.000 0.265 594 P C -0.256 176.905 177.300 -0.232 0.000 1.193 594 P CA 0.004 63.016 63.100 -0.147 0.000 0.765 594 P CB 0.833 32.458 31.700 -0.125 0.000 0.823 595 Q N 1.035 120.807 119.800 -0.048 0.000 2.351 595 Q HA 0.675 5.017 4.340 0.002 0.000 0.273 595 Q C 0.721 176.809 176.000 0.145 0.000 1.077 595 Q CA -0.329 55.436 55.803 -0.063 0.000 0.843 595 Q CB 2.438 31.135 28.738 -0.069 0.000 1.367 595 Q HN 0.835 nan 8.270 nan 0.000 0.449 596 G N 1.696 110.557 108.800 0.102 0.000 2.384 596 G HA2 -0.191 3.771 3.960 0.002 0.000 0.200 596 G HA3 -0.191 3.771 3.960 0.002 0.000 0.200 596 G C -1.088 173.936 174.900 0.208 0.000 1.205 596 G CA -0.379 44.807 45.100 0.142 0.000 1.116 596 G HN 0.624 nan 8.290 nan 0.000 0.547 597 N N -0.575 118.168 118.700 0.072 0.000 2.249 597 N HA 0.689 5.431 4.740 0.002 0.000 0.296 597 N C -0.839 174.526 175.510 -0.243 0.000 1.051 597 N CA -0.781 52.254 53.050 -0.024 0.000 0.815 597 N CB 1.729 40.205 38.487 -0.019 0.000 1.487 597 N HN 0.706 nan 8.380 nan 0.000 0.475 598 L N 2.564 123.635 121.223 -0.253 0.000 2.346 598 L HA 0.652 4.993 4.340 0.002 0.000 0.276 598 L C -0.988 175.806 176.870 -0.127 0.000 1.006 598 L CA -0.527 54.124 54.840 -0.315 0.000 0.817 598 L CB 1.526 43.362 42.059 -0.370 0.000 1.272 598 L HN 0.836 nan 8.230 nan 0.000 0.421 599 S N 4.659 120.305 115.700 -0.090 0.000 2.733 599 S HA 0.437 4.908 4.470 0.002 0.000 0.307 599 S C -0.912 173.686 174.600 -0.003 0.000 1.127 599 S CA -0.789 57.403 58.200 -0.013 0.000 1.097 599 S CB 1.359 64.564 63.200 0.008 0.000 1.003 599 S HN 0.425 nan 8.310 nan 0.000 0.477 600 L N 4.565 125.810 121.223 0.037 0.000 2.334 600 L HA 0.472 4.813 4.340 0.002 0.000 0.286 600 L C 1.478 178.380 176.870 0.053 0.000 1.108 600 L CA 0.272 55.151 54.840 0.064 0.000 0.875 600 L CB 0.228 42.334 42.059 0.078 0.000 1.246 600 L HN 1.018 nan 8.230 nan 0.000 0.439 601 G N 3.115 111.907 108.800 -0.012 0.000 2.421 601 G HA2 -0.263 3.699 3.960 0.002 0.000 0.216 601 G HA3 -0.263 3.699 3.960 0.002 0.000 0.216 601 G C 0.450 175.258 174.900 -0.154 0.000 1.171 601 G CA 0.277 45.295 45.100 -0.137 0.000 0.775 601 G HN 0.507 nan 8.290 nan 0.000 0.543 602 Y N 0.953 121.278 120.300 0.043 0.000 2.573 602 Y HA 0.417 4.968 4.550 0.003 0.000 0.346 602 Y C 1.390 177.496 175.900 0.343 0.000 1.198 602 Y CA 0.405 58.593 58.100 0.147 0.000 1.627 602 Y CB 0.401 38.811 38.460 -0.083 0.000 1.457 602 Y HN 0.265 nan 8.280 nan 0.000 0.483 603 G N 0.061 109.057 108.800 0.325 0.000 2.485 603 G HA2 -0.257 3.704 3.960 0.002 0.000 0.181 603 G HA3 -0.257 3.704 3.960 0.002 0.000 0.181 603 G C 0.250 175.165 174.900 0.024 0.000 0.999 603 G CA -0.486 44.660 45.100 0.077 0.000 0.721 603 G HN 0.689 nan 8.290 nan 0.000 0.486 604 C N 0.032 119.387 119.300 0.093 0.000 4.056 604 C HA -0.023 4.438 4.460 0.002 0.000 0.302 604 C C 0.518 175.655 174.990 0.244 0.000 1.356 604 C CA 0.545 59.668 59.018 0.175 0.000 2.074 604 C CB -2.354 25.495 27.740 0.182 0.000 1.328 604 C HN 1.202 nan 8.230 nan 0.000 0.684 605 V N 2.517 122.522 119.914 0.152 0.000 2.709 605 V HA 0.757 4.878 4.120 0.002 0.000 0.308 605 V C 0.088 176.214 176.094 0.054 0.000 1.062 605 V CA -0.085 62.233 62.300 0.030 0.000 0.901 605 V CB 2.270 34.037 31.823 -0.094 0.000 1.003 605 V HN 0.578 nan 8.190 nan 0.000 0.425 606 S N 2.856 118.522 115.700 -0.056 0.000 2.500 606 S HA 0.846 5.318 4.470 0.002 0.000 0.301 606 S C -1.118 173.325 174.600 -0.262 0.000 1.092 606 S CA -0.428 57.726 58.200 -0.077 0.000 1.030 606 S CB 1.690 64.962 63.200 0.120 0.000 1.031 606 S HN 0.489 nan 8.310 nan 0.000 0.483 607 V N 4.278 124.051 119.914 -0.235 0.000 2.577 607 V HA 0.507 4.628 4.120 0.002 0.000 0.303 607 V C -0.521 175.458 176.094 -0.191 0.000 1.042 607 V CA -0.726 61.480 62.300 -0.157 0.000 0.872 607 V CB 1.756 33.684 31.823 0.175 0.000 0.998 607 V HN 0.831 nan 8.190 nan 0.000 0.423 608 Q N 3.999 123.624 119.800 -0.293 0.000 2.293 608 Q HA 0.623 4.965 4.340 0.002 0.000 0.261 608 Q C -0.746 175.186 176.000 -0.113 0.000 0.960 608 Q CA -0.309 55.410 55.803 -0.140 0.000 0.882 608 Q CB 1.564 30.270 28.738 -0.054 0.000 1.275 608 Q HN 0.670 nan 8.270 nan 0.000 0.445 609 R N 3.250 123.600 120.500 -0.251 0.000 2.483 609 R HA 0.559 4.901 4.340 0.002 0.000 0.303 609 R C -0.983 174.874 176.300 -0.739 0.000 0.987 609 R CA -0.825 54.901 56.100 -0.622 0.000 0.881 609 R CB 1.300 31.183 30.300 -0.695 0.000 1.177 609 R HN 0.525 nan 8.270 nan 0.000 0.451 610 R N 2.142 121.804 120.500 -1.396 0.000 2.795 610 R HA 0.321 4.663 4.340 0.002 0.000 0.275 610 R C 0.248 175.929 176.300 -1.032 0.000 0.981 610 R CA -0.936 54.595 56.100 -0.947 0.000 0.917 610 R CB 1.609 31.584 30.300 -0.542 0.000 1.202 610 R HN 0.701 nan 8.270 nan 0.000 0.469 611 E N 0.937 120.856 120.200 -0.468 0.000 3.229 611 E HA -0.324 4.027 4.350 0.002 0.000 0.354 611 E C 0.768 177.180 176.600 -0.315 0.000 1.487 611 E CA 2.183 58.415 56.400 -0.281 0.000 1.617 611 E CB -0.769 28.872 29.700 -0.099 0.000 1.768 611 E HN 0.861 nan 8.360 nan 0.000 0.497 612 N N 0.879 119.459 118.700 -0.200 0.000 2.282 612 N HA 0.022 4.764 4.740 0.002 0.000 0.185 612 N C 0.520 175.964 175.510 -0.109 0.000 1.099 612 N CA 0.728 53.691 53.050 -0.144 0.000 0.878 612 N CB -0.381 38.074 38.487 -0.053 0.000 0.993 612 N HN 0.528 nan 8.380 nan 0.000 0.481 613 W N 1.755 122.994 121.300 -0.101 0.000 2.213 613 W HA 0.656 5.318 4.660 0.003 0.000 0.356 613 W C -0.534 175.911 176.519 -0.123 0.000 1.273 613 W CA -0.866 56.420 57.345 -0.099 0.000 1.391 613 W CB -0.065 29.349 29.460 -0.078 0.000 1.187 613 W HN -0.006 nan 8.180 nan 0.000 0.649 614 S N 0.123 116.045 115.700 0.370 0.000 2.564 614 S HA 0.766 5.238 4.470 0.002 0.000 0.274 614 S C -1.321 173.500 174.600 0.368 0.000 1.124 614 S CA -0.946 57.395 58.200 0.234 0.000 0.869 614 S CB 1.625 64.804 63.200 -0.034 0.000 1.105 614 S HN 1.070 nan 8.310 nan 0.000 0.472 615 A N 1.334 124.333 122.820 0.298 0.000 2.340 615 A HA 0.740 5.062 4.320 0.002 0.000 0.297 615 A C -0.490 177.098 177.584 0.007 0.000 1.195 615 A CA -0.765 51.375 52.037 0.173 0.000 0.769 615 A CB 0.957 20.114 19.000 0.261 0.000 1.163 615 A HN 1.858 nan 8.150 nan 0.000 0.472 616 V N 2.505 122.402 119.914 -0.029 0.000 2.384 616 V HA 0.840 4.961 4.120 0.002 0.000 0.287 616 V C 0.069 176.054 176.094 -0.182 0.000 1.020 616 V CA 0.004 62.247 62.300 -0.096 0.000 0.850 616 V CB 0.959 32.765 31.823 -0.028 0.000 0.987 616 V HN 1.487 nan 8.190 nan 0.000 0.436 617 A N 6.633 129.273 122.820 -0.300 0.000 2.305 617 A HA 0.910 5.231 4.320 0.002 0.000 0.322 617 A C -0.138 177.197 177.584 -0.416 0.000 1.187 617 A CA -0.896 50.849 52.037 -0.487 0.000 0.825 617 A CB 1.053 19.577 19.000 -0.794 0.000 1.164 617 A HN 1.082 nan 8.150 nan 0.000 0.498 618 R N 1.732 122.082 120.500 -0.250 0.000 2.574 618 R HA 0.590 4.931 4.340 0.002 0.000 0.288 618 R C -0.020 176.376 176.300 0.160 0.000 1.004 618 R CA 0.034 56.097 56.100 -0.063 0.000 0.895 618 R CB 1.817 32.108 30.300 -0.015 0.000 1.191 618 R HN 0.977 nan 8.270 nan 0.000 0.444 619 G N 1.782 110.798 108.800 0.360 0.000 3.251 619 G HA2 0.530 4.491 3.960 0.002 0.000 0.248 619 G HA3 0.530 4.491 3.960 0.002 0.000 0.248 619 G C -1.341 173.797 174.900 0.396 0.000 1.320 619 G CA -0.415 44.965 45.100 0.467 0.000 0.982 619 G HN 0.745 nan 8.290 nan 0.000 0.575 620 H N -1.938 117.277 119.070 0.241 0.000 3.017 620 H HA 0.745 5.302 4.556 0.002 0.000 0.346 620 H C -0.721 174.711 175.328 0.173 0.000 1.286 620 H CA -0.185 55.974 56.048 0.186 0.000 1.120 620 H CB 1.349 31.241 29.762 0.216 0.000 1.860 620 H HN 0.869 nan 8.280 nan 0.000 0.542 621 S N 0.663 116.495 115.700 0.219 0.000 2.900 621 S HA 0.325 4.796 4.470 0.002 0.000 0.320 621 S C 0.901 175.605 174.600 0.174 0.000 1.130 621 S CA -0.613 57.651 58.200 0.106 0.000 0.863 621 S CB 1.953 65.209 63.200 0.092 0.000 1.295 621 S HN 0.897 nan 8.310 nan 0.000 0.596 622 R N -0.286 120.165 120.500 -0.082 0.000 2.323 622 R HA 0.158 4.499 4.340 0.002 0.000 0.198 622 R C 0.352 176.541 176.300 -0.186 0.000 0.988 622 R CA 0.748 56.803 56.100 -0.075 0.000 1.041 622 R CB -0.636 29.487 30.300 -0.294 0.000 0.926 622 R HN 0.741 nan 8.270 nan 0.000 0.476 623 Y N 0.298 120.696 120.300 0.164 0.000 2.535 623 Y HA 0.359 4.911 4.550 0.002 0.000 0.264 623 Y C 0.567 176.595 175.900 0.213 0.000 1.087 623 Y CA -0.640 57.584 58.100 0.206 0.000 1.285 623 Y CB 0.807 39.315 38.460 0.080 0.000 1.200 623 Y HN -0.126 nan 8.280 nan 0.000 0.514 624 L N 1.772 123.187 121.223 0.319 0.000 2.356 624 L HA 0.272 4.613 4.340 0.002 0.000 0.277 624 L C -0.500 176.512 176.870 0.236 0.000 0.996 624 L CA -1.067 53.863 54.840 0.151 0.000 0.822 624 L CB 1.020 43.121 42.059 0.071 0.000 1.256 624 L HN 0.178 nan 8.230 nan 0.000 0.413 625 W N 1.821 123.271 121.300 0.251 0.000 2.150 625 W HA 0.459 5.120 4.660 0.002 0.000 0.341 625 W C 0.415 176.992 176.519 0.096 0.000 1.276 625 W CA -0.309 57.174 57.345 0.230 0.000 1.238 625 W CB 0.425 29.998 29.460 0.187 0.000 1.128 625 W HN 0.659 nan 8.180 nan 0.000 0.581 626 A N 2.943 125.944 122.820 0.302 0.000 1.840 626 A HA 0.372 4.693 4.320 0.002 0.000 0.214 626 A C 0.799 178.594 177.584 0.352 0.000 1.198 626 A CA 1.735 53.807 52.037 0.059 0.000 0.608 626 A CB -0.899 17.907 19.000 -0.324 0.000 0.839 626 A HN 0.985 nan 8.150 nan 0.000 0.443 627 A N -0.943 122.105 122.820 0.379 0.000 2.549 627 A HA 0.577 4.898 4.320 0.002 0.000 0.297 627 A C -0.776 176.608 177.584 -0.333 0.000 1.061 627 A CA -0.336 51.782 52.037 0.135 0.000 0.690 627 A CB 0.796 19.731 19.000 -0.109 0.000 1.287 627 A HN 0.355 nan 8.150 nan 0.000 0.402 628 E N 1.824 121.706 120.200 -0.529 0.000 2.194 628 E HA 0.393 4.744 4.350 0.002 0.000 0.284 628 E C -1.022 175.299 176.600 -0.465 0.000 1.035 628 E CA -0.365 55.671 56.400 -0.606 0.000 0.836 628 E CB 0.396 29.804 29.700 -0.487 0.000 1.070 628 E HN 0.676 nan 8.360 nan 0.000 0.401 629 H N 4.315 123.379 119.070 -0.011 0.000 2.539 629 H HA 0.239 4.796 4.556 0.002 0.000 0.332 629 H C -1.034 174.429 175.328 0.225 0.000 1.031 629 H CA -0.500 55.575 56.048 0.046 0.000 1.206 629 H CB 0.561 30.299 29.762 -0.041 0.000 1.446 629 H HN 0.523 nan 8.280 nan 0.000 0.496 630 Y N 0.760 121.097 120.300 0.062 0.000 2.621 630 Y HA 0.245 4.796 4.550 0.002 0.000 0.334 630 Y C 0.538 176.481 175.900 0.072 0.000 1.074 630 Y CA -1.203 56.940 58.100 0.072 0.000 1.149 630 Y CB 1.271 39.792 38.460 0.102 0.000 1.302 630 Y HN 0.439 nan 8.280 nan 0.000 0.501 631 L N 1.709 123.035 121.223 0.172 0.000 2.534 631 L HA 0.174 4.515 4.340 0.002 0.000 0.271 631 L C 1.076 178.016 176.870 0.116 0.000 1.178 631 L CA 0.908 55.803 54.840 0.091 0.000 0.907 631 L CB -0.282 41.807 42.059 0.050 0.000 1.164 631 L HN 1.015 nan 8.230 nan 0.000 0.482 632 G N 2.566 111.351 108.800 -0.025 0.000 2.179 632 G HA2 -0.289 3.673 3.960 0.002 0.000 0.257 632 G HA3 -0.289 3.673 3.960 0.002 0.000 0.257 632 G C -0.113 174.528 174.900 -0.431 0.000 1.010 632 G CA 0.088 45.078 45.100 -0.183 0.000 0.736 632 G HN 0.804 nan 8.290 nan 0.000 0.513 633 H N -1.652 117.433 119.070 0.026 0.000 3.017 633 H HA 0.473 5.031 4.556 0.002 0.000 0.340 633 H C 0.233 175.533 175.328 -0.048 0.000 1.014 633 H CA -0.298 55.751 56.048 0.002 0.000 1.341 633 H CB 1.303 31.058 29.762 -0.011 0.000 1.739 633 H HN 0.240 nan 8.280 nan 0.000 0.506 634 N N 2.695 121.402 118.700 0.011 0.000 2.641 634 N HA -0.178 4.564 4.740 0.002 0.000 0.267 634 N C -0.217 175.226 175.510 -0.111 0.000 1.087 634 N CA 0.353 53.361 53.050 -0.069 0.000 0.731 634 N CB -0.629 37.823 38.487 -0.059 0.000 0.886 634 N HN 0.729 nan 8.380 nan 0.000 0.547 635 L N -0.089 120.874 121.223 -0.434 0.000 2.109 635 L HA -0.089 4.252 4.340 0.002 0.000 0.207 635 L C 1.029 177.388 176.870 -0.851 0.000 1.086 635 L CA 1.178 55.559 54.840 -0.765 0.000 0.760 635 L CB -0.267 40.998 42.059 -1.322 0.000 0.910 635 L HN 0.450 nan 8.230 nan 0.000 0.437 636 Y N -1.543 118.470 120.300 -0.478 0.000 2.612 636 Y HA 0.310 4.861 4.550 0.002 0.000 0.250 636 Y C 1.753 177.475 175.900 -0.297 0.000 1.175 636 Y CA -0.333 57.450 58.100 -0.529 0.000 1.205 636 Y CB 0.206 38.136 38.460 -0.884 0.000 1.201 636 Y HN -0.029 nan 8.280 nan 0.000 0.532 637 G N 0.417 109.213 108.800 -0.008 0.000 3.424 637 G HA2 -0.007 3.954 3.960 0.002 0.000 0.263 637 G HA3 -0.007 3.954 3.960 0.002 0.000 0.263 637 G C 1.434 176.418 174.900 0.141 0.000 1.310 637 G CA -0.269 44.930 45.100 0.165 0.000 1.089 637 G HN 0.269 nan 8.290 nan 0.000 0.534 638 R N -0.599 119.845 120.500 -0.094 0.000 2.139 638 R HA -0.150 4.192 4.340 0.002 0.000 0.243 638 R C 0.794 176.950 176.300 -0.240 0.000 1.145 638 R CA 1.214 57.149 56.100 -0.275 0.000 0.976 638 R CB -0.028 29.793 30.300 -0.799 0.000 0.866 638 R HN 0.490 nan 8.270 nan 0.000 0.449 639 Y N -0.205 120.025 120.300 -0.118 0.000 2.457 639 Y HA 0.131 4.682 4.550 0.002 0.000 0.263 639 Y C 1.618 177.579 175.900 0.101 0.000 1.164 639 Y CA -0.316 57.623 58.100 -0.269 0.000 1.274 639 Y CB -0.165 38.159 38.460 -0.226 0.000 1.097 639 Y HN -0.015 nan 8.280 nan 0.000 0.523 640 L N -0.435 120.963 121.223 0.291 0.000 2.189 640 L HA -0.202 4.139 4.340 0.002 0.000 0.214 640 L C 1.842 178.888 176.870 0.294 0.000 1.097 640 L CA 1.615 56.625 54.840 0.283 0.000 0.764 640 L CB -0.247 41.943 42.059 0.219 0.000 0.900 640 L HN 0.245 nan 8.230 nan 0.000 0.436 641 A N -2.819 120.231 122.820 0.384 0.000 2.606 641 A HA 0.150 4.471 4.320 0.002 0.000 0.290 641 A C 0.530 178.502 177.584 0.646 0.000 1.174 641 A CA -0.409 51.894 52.037 0.443 0.000 0.958 641 A CB -0.457 18.776 19.000 0.388 0.000 1.194 641 A HN 0.327 nan 8.150 nan 0.000 0.526 642 H N 0.696 120.022 119.070 0.427 0.000 2.989 642 H HA 0.240 4.798 4.556 0.002 0.000 0.284 642 H C 1.239 176.783 175.328 0.360 0.000 1.440 642 H CA 0.374 56.672 56.048 0.418 0.000 1.209 642 H CB -0.131 29.860 29.762 0.382 0.000 1.453 642 H HN 0.700 nan 8.280 nan 0.000 0.550 643 G N 2.257 111.338 108.800 0.468 0.000 2.324 643 G HA2 -0.301 3.660 3.960 0.002 0.000 0.292 643 G HA3 -0.301 3.660 3.960 0.002 0.000 0.292 643 G C 0.357 175.558 174.900 0.502 0.000 1.079 643 G CA 0.351 45.756 45.100 0.508 0.000 1.026 643 G HN 0.535 nan 8.290 nan 0.000 0.506 644 S N -0.384 115.526 115.700 0.350 0.000 2.585 644 S HA 0.717 5.189 4.470 0.002 0.000 0.273 644 S C 0.251 174.911 174.600 0.101 0.000 1.339 644 S CA -0.648 57.705 58.200 0.254 0.000 1.028 644 S CB 2.403 65.727 63.200 0.208 0.000 0.906 644 S HN 1.230 nan 8.310 nan 0.000 0.528 645 L N 1.989 123.262 121.223 0.082 0.000 2.573 645 L HA 0.376 4.718 4.340 0.002 0.000 0.260 645 L C -0.853 176.048 176.870 0.052 0.000 0.997 645 L CA -0.063 54.728 54.840 -0.083 0.000 0.890 645 L CB 1.382 43.292 42.059 -0.249 0.000 1.179 645 L HN 1.051 nan 8.230 nan 0.000 0.439 646 Q N 4.157 123.975 119.800 0.030 0.000 2.241 646 Q HA 0.486 4.827 4.340 0.002 0.000 0.254 646 Q C -0.985 175.055 176.000 0.067 0.000 0.917 646 Q CA -0.704 55.141 55.803 0.070 0.000 0.919 646 Q CB 1.816 30.570 28.738 0.026 0.000 1.237 646 Q HN 0.546 nan 8.270 nan 0.000 0.434 647 I N 6.058 126.684 120.570 0.092 0.000 2.306 647 I HA 0.228 4.400 4.170 0.002 0.000 0.288 647 I C -0.529 175.627 176.117 0.065 0.000 1.036 647 I CA -0.385 60.953 61.300 0.064 0.000 1.221 647 I CB 0.586 38.592 38.000 0.009 0.000 1.385 647 I HN 0.630 nan 8.210 nan 0.000 0.472 648 L N 6.150 127.423 121.223 0.084 0.000 2.257 648 L HA 0.524 4.866 4.340 0.002 0.000 0.290 648 L C 0.433 177.359 176.870 0.094 0.000 1.044 648 L CA 0.075 54.956 54.840 0.069 0.000 0.810 648 L CB 1.380 43.469 42.059 0.050 0.000 1.193 648 L HN 0.600 nan 8.230 nan 0.000 0.425 649 T N 2.127 116.713 114.554 0.054 0.000 2.816 649 T HA 0.896 5.248 4.350 0.002 0.000 0.299 649 T C -1.749 172.956 174.700 0.008 0.000 1.230 649 T CA -0.197 61.936 62.100 0.055 0.000 1.007 649 T CB 1.998 70.873 68.868 0.011 0.000 1.289 649 T HN 0.739 nan 8.240 nan 0.000 0.508 650 A N 2.150 124.973 122.820 0.005 0.000 2.597 650 A HA 0.765 5.086 4.320 0.002 0.000 0.292 650 A C -3.202 174.369 177.584 -0.021 0.000 1.057 650 A CA -1.239 50.785 52.037 -0.020 0.000 0.674 650 A CB 0.908 19.897 19.000 -0.019 0.000 1.278 650 A HN 0.608 nan 8.150 nan 0.000 0.416 651 P HA 0.317 nan 4.420 nan 0.000 0.263 651 P C -2.503 174.784 177.300 -0.022 0.000 1.195 651 P CA -0.435 62.645 63.100 -0.033 0.000 0.762 651 P CB -0.321 31.355 31.700 -0.040 0.000 0.799 652 P HA -0.054 nan 4.420 nan 0.000 0.259 652 P C 1.127 178.413 177.300 -0.024 0.000 1.163 652 P CA 1.726 64.817 63.100 -0.014 0.000 0.760 652 P CB -0.105 31.590 31.700 -0.008 0.000 0.762 653 G N 2.213 110.994 108.800 -0.031 0.000 2.259 653 G HA2 -0.193 3.769 3.960 0.002 0.000 0.217 653 G HA3 -0.193 3.769 3.960 0.002 0.000 0.217 653 G C 0.043 174.920 174.900 -0.038 0.000 1.001 653 G CA -0.427 44.653 45.100 -0.034 0.000 0.627 653 G HN 0.556 nan 8.290 nan 0.000 0.501 654 Q N 1.268 121.047 119.800 -0.036 0.000 2.222 654 Q HA 0.546 4.887 4.340 0.002 0.000 0.252 654 Q C 0.455 176.430 176.000 -0.042 0.000 0.926 654 Q CA 0.129 55.910 55.803 -0.037 0.000 0.899 654 Q CB 1.519 30.238 28.738 -0.033 0.000 1.250 654 Q HN 0.426 nan 8.270 nan 0.000 0.441 655 T N -1.664 112.861 114.554 -0.047 0.000 2.884 655 T HA 0.267 4.618 4.350 0.002 0.000 0.298 655 T C 0.124 174.798 174.700 -0.044 0.000 0.998 655 T CA -0.753 61.314 62.100 -0.055 0.000 1.124 655 T CB 0.465 69.294 68.868 -0.065 0.000 0.931 655 T HN 0.263 nan 8.240 nan 0.000 0.531 656 V N 5.033 124.920 119.914 -0.045 0.000 2.529 656 V HA 0.330 4.451 4.120 0.002 0.000 0.292 656 V C 0.832 176.910 176.094 -0.027 0.000 1.028 656 V CA 0.139 62.421 62.300 -0.029 0.000 1.074 656 V CB 0.562 32.370 31.823 -0.025 0.000 0.958 656 V HN 1.161 nan 8.190 nan 0.000 0.481 657 T N 7.093 121.640 114.554 -0.010 0.000 2.903 657 T HA 0.365 4.716 4.350 0.002 0.000 0.299 657 T C -1.990 172.728 174.700 0.031 0.000 1.093 657 T CA -1.051 61.049 62.100 0.001 0.000 1.002 657 T CB 2.244 71.112 68.868 -0.000 0.000 1.127 657 T HN 0.312 nan 8.240 nan 0.000 0.488 658 P HA -0.129 nan 4.420 nan 0.000 0.216 658 P C 1.594 178.992 177.300 0.163 0.000 1.154 658 P CA 1.395 64.572 63.100 0.128 0.000 0.865 658 P CB -0.034 31.777 31.700 0.184 0.000 0.789 659 T N -1.104 113.517 114.554 0.112 0.000 2.759 659 T HA -0.121 4.230 4.350 0.002 0.000 0.269 659 T C 1.571 176.287 174.700 0.026 0.000 1.042 659 T CA 2.100 64.236 62.100 0.059 0.000 1.140 659 T CB -1.075 67.811 68.868 0.030 0.000 0.864 659 T HN 0.255 nan 8.240 nan 0.000 0.455 660 T N 1.191 115.756 114.554 0.019 0.000 2.985 660 T HA 0.015 4.366 4.350 0.002 0.000 0.266 660 T C 2.066 176.758 174.700 -0.013 0.000 1.076 660 T CA 0.687 62.783 62.100 -0.008 0.000 1.135 660 T CB -0.099 68.761 68.868 -0.014 0.000 0.890 660 T HN 0.255 nan 8.240 nan 0.000 0.480 661 S N 0.481 116.197 115.700 0.026 0.000 2.603 661 S HA 0.368 4.840 4.470 0.002 0.000 0.220 661 S C 1.576 176.219 174.600 0.072 0.000 0.967 661 S CA 0.318 58.542 58.200 0.039 0.000 0.920 661 S CB -0.185 63.054 63.200 0.065 0.000 0.773 661 S HN 0.771 nan 8.310 nan 0.000 0.529 662 G N 0.988 109.823 108.800 0.058 0.000 2.212 662 G HA2 -0.256 3.705 3.960 0.002 0.000 0.255 662 G HA3 -0.256 3.705 3.960 0.002 0.000 0.255 662 G C -0.460 174.524 174.900 0.140 0.000 1.062 662 G CA -0.131 45.001 45.100 0.054 0.000 0.815 662 G HN 0.524 nan 8.290 nan 0.000 0.497 663 W N 0.959 122.244 121.300 -0.026 0.000 2.739 663 W HA 0.686 5.347 4.660 0.002 0.000 0.331 663 W C 0.014 176.530 176.519 -0.004 0.000 1.049 663 W CA -0.625 56.737 57.345 0.028 0.000 1.234 663 W CB 1.231 30.682 29.460 -0.015 0.000 1.404 663 W HN 0.509 nan 8.180 nan 0.000 0.477 664 Q N 2.791 122.192 119.800 -0.665 0.000 2.553 664 Q HA 0.311 4.652 4.340 0.002 0.000 0.293 664 Q C 0.066 175.224 176.000 -1.403 0.000 1.038 664 Q CA -0.835 54.542 55.803 -0.710 0.000 0.777 664 Q CB 2.485 31.056 28.738 -0.278 0.000 1.487 664 Q HN 0.634 nan 8.270 nan 0.000 0.426 665 Q N 0.767 120.057 119.800 -0.850 0.000 2.062 665 Q HA -0.061 4.280 4.340 0.002 0.000 0.196 665 Q C -0.090 175.817 176.000 -0.156 0.000 0.967 665 Q CA 1.123 56.623 55.803 -0.505 0.000 0.832 665 Q CB 0.248 29.013 28.738 0.045 0.000 0.899 665 Q HN 0.665 nan 8.270 nan 0.000 0.442 666 E N 0.047 120.234 120.200 -0.022 0.000 2.406 666 E HA 0.137 4.489 4.350 0.002 0.000 0.258 666 E C 0.497 177.206 176.600 0.182 0.000 1.043 666 E CA 0.749 57.197 56.400 0.080 0.000 0.929 666 E CB 0.568 30.312 29.700 0.073 0.000 0.969 666 E HN 0.588 nan 8.360 nan 0.000 0.462 667 G N 3.224 112.070 108.800 0.077 0.000 2.195 667 G HA2 -0.317 3.645 3.960 0.002 0.000 0.246 667 G HA3 -0.317 3.645 3.960 0.002 0.000 0.246 667 G C -0.148 174.391 174.900 -0.602 0.000 0.984 667 G CA -0.044 45.047 45.100 -0.015 0.000 0.633 667 G HN 0.561 nan 8.290 nan 0.000 0.525 668 F N 3.021 122.416 119.950 -0.924 0.000 2.541 668 F HA 0.476 5.004 4.527 0.002 0.000 0.378 668 F C 0.511 175.632 175.800 -1.131 0.000 1.068 668 F CA -1.038 56.053 58.000 -1.514 0.000 1.199 668 F CB 0.729 38.900 39.000 -1.382 0.000 1.091 668 F HN 0.064 nan 8.300 nan 0.000 0.555 669 D N 6.267 125.793 120.400 -1.457 0.000 2.348 669 D HA -0.066 4.575 4.640 0.002 0.000 0.259 669 D C 0.498 176.092 176.300 -1.176 0.000 1.296 669 D CA 0.020 53.432 54.000 -0.981 0.000 0.931 669 D CB 0.129 40.551 40.800 -0.631 0.000 1.067 669 D HN 0.645 nan 8.370 nan 0.000 0.503 670 W N 2.905 123.814 121.300 -0.652 0.000 2.465 670 W HA -0.044 4.617 4.660 0.002 0.000 0.268 670 W C 1.983 178.390 176.519 -0.187 0.000 1.242 670 W CA -0.096 57.033 57.345 -0.360 0.000 1.248 670 W CB -0.146 29.244 29.460 -0.117 0.000 1.118 670 W HN 0.437 nan 8.180 nan 0.000 0.587 671 N N 0.531 119.203 118.700 -0.046 0.000 2.270 671 N HA -0.056 4.685 4.740 0.002 0.000 0.181 671 N C 0.619 176.146 175.510 0.027 0.000 1.016 671 N CA 0.851 53.953 53.050 0.087 0.000 0.870 671 N CB -0.279 38.082 38.487 -0.210 0.000 0.979 671 N HN 0.199 nan 8.380 nan 0.000 0.431 672 R N 1.512 121.925 120.500 -0.145 0.000 4.048 672 R HA 0.264 4.605 4.340 0.002 0.000 0.290 672 R C -0.366 175.873 176.300 -0.101 0.000 1.519 672 R CA -0.305 55.709 56.100 -0.143 0.000 1.446 672 R CB 0.224 30.405 30.300 -0.199 0.000 1.455 672 R HN 0.041 nan 8.270 nan 0.000 0.706 673 I N 2.613 123.222 120.570 0.065 0.000 2.662 673 I HA 0.042 4.214 4.170 0.002 0.000 0.285 673 I C -1.916 174.330 176.117 0.215 0.000 1.161 673 I CA -2.811 58.641 61.300 0.254 0.000 1.415 673 I CB -0.119 38.075 38.000 0.323 0.000 1.385 673 I HN -0.041 nan 8.210 nan 0.000 0.552 674 P HA 0.016 nan 4.420 nan 0.000 0.257 674 P C 0.979 178.418 177.300 0.231 0.000 1.162 674 P CA 1.114 64.354 63.100 0.233 0.000 0.762 674 P CB 0.382 32.249 31.700 0.280 0.000 0.753 675 G N 1.512 110.448 108.800 0.227 0.000 2.268 675 G HA2 -0.243 3.719 3.960 0.002 0.000 0.240 675 G HA3 -0.243 3.719 3.960 0.002 0.000 0.240 675 G C 0.239 175.314 174.900 0.292 0.000 1.010 675 G CA 0.090 45.391 45.100 0.334 0.000 0.618 675 G HN 0.719 nan 8.290 nan 0.000 0.516 676 V N -0.132 119.916 119.914 0.223 0.000 2.881 676 V HA 0.756 4.878 4.120 0.002 0.000 0.303 676 V C 0.382 176.550 176.094 0.123 0.000 1.070 676 V CA 0.439 62.873 62.300 0.223 0.000 1.074 676 V CB 1.408 33.369 31.823 0.230 0.000 1.012 676 V HN 0.470 nan 8.190 nan 0.000 0.482 677 T N 4.402 119.066 114.554 0.184 0.000 2.743 677 T HA 0.674 5.026 4.350 0.002 0.000 0.292 677 T C -0.041 174.759 174.700 0.167 0.000 0.972 677 T CA 0.041 62.245 62.100 0.173 0.000 0.967 677 T CB 0.622 69.631 68.868 0.236 0.000 0.926 677 T HN 1.346 nan 8.240 nan 0.000 0.459 678 S N 2.435 118.066 115.700 -0.115 0.000 2.570 678 S HA 0.671 5.142 4.470 0.002 0.000 0.270 678 S C -0.916 173.411 174.600 -0.456 0.000 1.149 678 S CA -1.100 56.750 58.200 -0.583 0.000 0.837 678 S CB 0.813 63.169 63.200 -1.406 0.000 1.124 678 S HN 0.546 nan 8.310 nan 0.000 0.465 679 I N 2.811 123.094 120.570 -0.478 0.000 2.371 679 I HA 0.228 4.400 4.170 0.002 0.000 0.290 679 I C 0.667 176.774 176.117 -0.017 0.000 1.028 679 I CA -0.428 60.783 61.300 -0.148 0.000 1.345 679 I CB 0.562 38.517 38.000 -0.075 0.000 1.407 679 I HN 0.709 nan 8.210 nan 0.000 0.501 680 H N 7.219 126.256 119.070 -0.055 0.000 3.015 680 H HA 0.236 4.793 4.556 0.002 0.000 0.268 680 H C -1.019 174.229 175.328 -0.133 0.000 1.113 680 H CA -0.357 55.656 56.048 -0.059 0.000 1.479 680 H CB 0.586 30.312 29.762 -0.060 0.000 1.493 680 H HN 0.323 nan 8.280 nan 0.000 0.486 681 L N 7.853 128.849 121.223 -0.378 0.000 2.334 681 L HA 0.371 4.713 4.340 0.002 0.000 0.272 681 L C -1.962 174.611 176.870 -0.495 0.000 1.020 681 L CA -2.077 52.450 54.840 -0.522 0.000 0.812 681 L CB 1.420 43.268 42.059 -0.351 0.000 1.264 681 L HN 0.594 nan 8.230 nan 0.000 0.439 682 P HA 0.090 nan 4.420 nan 0.000 0.271 682 P C 0.604 177.773 177.300 -0.218 0.000 1.218 682 P CA -0.450 62.485 63.100 -0.274 0.000 0.780 682 P CB 0.505 32.088 31.700 -0.195 0.000 0.901 683 L N 2.257 123.372 121.223 -0.180 0.000 2.127 683 L HA -0.169 4.172 4.340 0.002 0.000 0.211 683 L C 1.799 178.674 176.870 0.008 0.000 1.089 683 L CA 2.038 56.786 54.840 -0.153 0.000 0.757 683 L CB -1.566 40.313 42.059 -0.301 0.000 0.899 683 L HN 0.517 nan 8.230 nan 0.000 0.434 684 D N -0.619 119.770 120.400 -0.019 0.000 2.264 684 D HA -0.195 4.446 4.640 0.002 0.000 0.208 684 D C 2.126 178.412 176.300 -0.024 0.000 0.966 684 D CA 0.858 54.861 54.000 0.005 0.000 0.864 684 D CB -0.346 40.452 40.800 -0.003 0.000 0.933 684 D HN 0.340 nan 8.370 nan 0.000 0.499 685 L N -0.614 120.568 121.223 -0.068 0.000 2.416 685 L HA 0.108 4.449 4.340 0.002 0.000 0.216 685 L C 2.218 179.006 176.870 -0.136 0.000 1.098 685 L CA -0.009 54.784 54.840 -0.078 0.000 0.840 685 L CB 0.006 42.002 42.059 -0.105 0.000 0.981 685 L HN 0.011 nan 8.230 nan 0.000 0.462 686 L N 0.423 121.546 121.223 -0.166 0.000 2.240 686 L HA 0.026 4.368 4.340 0.002 0.000 0.211 686 L C 1.354 178.065 176.870 -0.265 0.000 1.106 686 L CA 1.046 55.735 54.840 -0.252 0.000 0.793 686 L CB -0.307 41.629 42.059 -0.204 0.000 0.927 686 L HN -0.003 nan 8.230 nan 0.000 0.446 687 K N 1.096 121.422 120.400 -0.123 0.000 2.527 687 K HA 0.110 4.432 4.320 0.002 0.000 0.278 687 K C -0.105 176.292 176.600 -0.338 0.000 0.981 687 K CA 0.347 56.467 56.287 -0.280 0.000 1.009 687 K CB 0.421 32.807 32.500 -0.188 0.000 0.895 687 K HN 0.297 nan 8.250 nan 0.000 0.493 688 A N 4.443 126.994 122.820 -0.448 0.000 2.404 688 A HA 0.029 4.350 4.320 0.002 0.000 0.273 688 A C 0.150 177.637 177.584 -0.162 0.000 1.144 688 A CA -0.310 51.484 52.037 -0.404 0.000 0.806 688 A CB -0.039 18.521 19.000 -0.733 0.000 1.080 688 A HN 0.913 nan 8.150 nan 0.000 0.509 689 N N 3.855 122.564 118.700 0.014 0.000 2.739 689 N HA 0.161 4.902 4.740 0.002 0.000 0.266 689 N C -0.619 174.867 175.510 -0.041 0.000 1.168 689 N CA -0.253 52.793 53.050 -0.007 0.000 1.055 689 N CB 0.247 38.745 38.487 0.017 0.000 1.393 689 N HN 0.347 nan 8.380 nan 0.000 0.514 690 V N 4.370 124.248 119.914 -0.060 0.000 2.521 690 V HA 0.199 4.320 4.120 0.002 0.000 0.286 690 V C 0.516 176.574 176.094 -0.059 0.000 1.034 690 V CA -0.091 62.174 62.300 -0.057 0.000 1.045 690 V CB 0.861 32.654 31.823 -0.051 0.000 0.974 690 V HN 0.514 nan 8.190 nan 0.000 0.480 691 L N 3.985 125.170 121.223 -0.063 0.000 2.327 691 L HA 0.501 4.842 4.340 0.002 0.000 0.258 691 L C 0.052 176.886 176.870 -0.061 0.000 1.024 691 L CA -0.415 54.389 54.840 -0.059 0.000 0.825 691 L CB 2.290 44.314 42.059 -0.059 0.000 1.386 691 L HN 0.710 nan 8.230 nan 0.000 0.417 692 N N 1.216 119.885 118.700 -0.051 0.000 2.521 692 N HA 0.137 4.878 4.740 0.002 0.000 0.236 692 N C 0.600 176.096 175.510 -0.023 0.000 1.067 692 N CA -0.168 52.856 53.050 -0.044 0.000 0.939 692 N CB 1.150 39.611 38.487 -0.043 0.000 1.201 692 N HN 0.395 nan 8.380 nan 0.000 0.511 693 V N 1.201 121.107 119.914 -0.013 0.000 2.488 693 V HA -0.052 4.070 4.120 0.002 0.000 0.246 693 V C 0.568 176.680 176.094 0.029 0.000 1.046 693 V CA 1.155 63.456 62.300 0.001 0.000 1.053 693 V CB -0.738 31.084 31.823 -0.001 0.000 0.679 693 V HN 0.710 nan 8.190 nan 0.000 0.458 694 D N -2.819 117.613 120.400 0.053 0.000 2.752 694 D HA 0.164 4.805 4.640 0.002 0.000 0.313 694 D C 0.728 177.068 176.300 0.068 0.000 1.225 694 D CA 0.136 54.189 54.000 0.087 0.000 0.976 694 D CB 1.054 41.951 40.800 0.163 0.000 1.443 694 D HN -0.172 nan 8.370 nan 0.000 0.515 695 T N -1.439 113.147 114.554 0.053 0.000 3.072 695 T HA 0.012 4.363 4.350 0.002 0.000 0.266 695 T C 0.606 175.195 174.700 -0.185 0.000 1.127 695 T CA 0.788 62.832 62.100 -0.093 0.000 1.107 695 T CB -0.634 68.123 68.868 -0.185 0.000 0.910 695 T HN 0.335 nan 8.240 nan 0.000 0.513 696 F N 1.960 121.900 119.950 -0.017 0.000 2.797 696 F HA 0.324 4.852 4.527 0.002 0.000 0.302 696 F C 1.306 177.055 175.800 -0.085 0.000 1.130 696 F CA -0.295 57.691 58.000 -0.024 0.000 1.387 696 F CB 0.304 39.327 39.000 0.039 0.000 1.107 696 F HN 0.199 nan 8.300 nan 0.000 0.577 697 S N -1.857 113.871 115.700 0.047 0.000 2.720 697 S HA 0.855 5.326 4.470 0.002 0.000 0.287 697 S C -0.228 174.316 174.600 -0.094 0.000 1.168 697 S CA -0.589 57.578 58.200 -0.055 0.000 0.832 697 S CB 1.335 64.572 63.200 0.061 0.000 1.166 697 S HN 0.028 nan 8.310 nan 0.000 0.493 704 Y N 0.946 121.456 120.300 0.349 0.000 2.419 704 Y HA 0.825 5.376 4.550 0.002 0.000 0.328 704 Y C 0.701 176.873 175.900 0.453 0.000 1.162 704 Y CA -0.824 57.528 58.100 0.420 0.000 1.174 704 Y CB 1.247 39.944 38.460 0.394 0.000 1.228 704 Y HN 0.578 nan 8.280 nan 0.000 0.473 705 S N 0.172 116.232 115.700 0.601 0.000 2.632 705 S HA 0.140 4.611 4.470 0.002 0.000 0.267 705 S C 0.219 174.984 174.600 0.275 0.000 1.193 705 S CA 0.120 58.559 58.200 0.399 0.000 1.003 705 S CB 0.517 63.887 63.200 0.283 0.000 1.073 705 S HN 0.852 nan 8.310 nan 0.000 0.553 706 D N -1.545 118.952 120.400 0.161 0.000 2.431 706 D HA 0.197 4.839 4.640 0.002 0.000 0.213 706 D C -0.323 175.966 176.300 -0.019 0.000 1.130 706 D CA -0.178 53.862 54.000 0.066 0.000 0.834 706 D CB -0.122 40.687 40.800 0.015 0.000 0.985 706 D HN 0.437 nan 8.370 nan 0.000 0.504 707 E N 0.313 120.502 120.200 -0.019 0.000 2.179 707 E HA 0.529 4.881 4.350 0.002 0.000 0.275 707 E C 0.172 176.727 176.600 -0.075 0.000 0.945 707 E CA -0.589 55.785 56.400 -0.044 0.000 0.792 707 E CB 2.103 31.794 29.700 -0.016 0.000 1.125 707 E HN 0.119 nan 8.360 nan 0.000 0.397 708 A N 3.160 125.935 122.820 -0.075 0.000 2.132 708 A HA 0.028 4.349 4.320 0.002 0.000 0.213 708 A C 0.637 178.243 177.584 0.036 0.000 1.154 708 A CA 0.039 52.022 52.037 -0.090 0.000 0.753 708 A CB -0.039 18.906 19.000 -0.091 0.000 0.826 708 A HN 0.485 nan 8.150 nan 0.000 0.469 709 F N 1.392 121.306 119.950 -0.061 0.000 2.462 709 F HA 0.528 5.056 4.527 0.002 0.000 0.354 709 F C 0.227 175.989 175.800 -0.063 0.000 1.192 709 F CA -0.177 57.794 58.000 -0.047 0.000 1.173 709 F CB -0.009 38.991 39.000 0.000 0.000 1.402 709 F HN 0.183 nan 8.300 nan 0.000 0.595 710 A N 3.945 126.567 122.820 -0.331 0.000 2.480 710 A HA 0.763 5.085 4.320 0.002 0.000 0.289 710 A C -0.417 176.900 177.584 -0.445 0.000 1.044 710 A CA 0.072 51.906 52.037 -0.337 0.000 0.761 710 A CB 0.638 19.577 19.000 -0.101 0.000 1.289 710 A HN 1.213 nan 8.150 nan 0.000 0.401 711 G N -0.029 108.306 108.800 -0.775 0.000 2.343 711 G HA2 0.686 4.647 3.960 0.002 0.000 0.289 711 G HA3 0.686 4.647 3.960 0.002 0.000 0.289 711 G C -0.329 174.167 174.900 -0.674 0.000 1.295 711 G CA 0.346 45.113 45.100 -0.556 0.000 0.869 711 G HN 1.931 nan 8.290 nan 0.000 0.522 712 G N -1.345 107.365 108.800 -0.149 0.000 2.680 712 G HA2 0.866 4.827 3.960 0.002 0.000 0.290 712 G HA3 0.866 4.827 3.960 0.002 0.000 0.290 712 G C -1.179 173.722 174.900 0.001 0.000 1.355 712 G CA 0.032 45.164 45.100 0.054 0.000 0.903 712 G HN 1.758 nan 8.290 nan 0.000 0.474 713 L N -1.438 119.814 121.223 0.049 0.000 2.341 713 L HA 0.936 5.277 4.340 0.002 0.000 0.267 713 L C -0.269 176.634 176.870 0.055 0.000 1.009 713 L CA -1.373 53.476 54.840 0.015 0.000 0.819 713 L CB 2.031 44.083 42.059 -0.013 0.000 1.323 713 L HN 0.391 nan 8.230 nan 0.000 0.425 714 S N 1.156 116.856 115.700 0.001 0.000 2.707 714 S HA 0.404 4.875 4.470 0.002 0.000 0.312 714 S C -0.843 173.751 174.600 -0.010 0.000 1.116 714 S CA -0.460 57.738 58.200 -0.002 0.000 1.078 714 S CB 0.495 63.660 63.200 -0.059 0.000 0.997 714 S HN 0.829 nan 8.310 nan 0.000 0.477 715 Q N 3.053 122.869 119.800 0.026 0.000 2.294 715 Q HA 0.445 4.786 4.340 0.002 0.000 0.257 715 Q C 0.958 176.969 176.000 0.017 0.000 0.955 715 Q CA 0.365 56.182 55.803 0.024 0.000 0.936 715 Q CB 0.559 29.328 28.738 0.051 0.000 1.188 715 Q HN 1.087 nan 8.270 nan 0.000 0.420 716 G N 4.572 113.375 108.800 0.005 0.000 2.379 716 G HA2 -0.330 3.632 3.960 0.002 0.000 0.297 716 G HA3 -0.330 3.632 3.960 0.002 0.000 0.297 716 G C -0.191 174.702 174.900 -0.011 0.000 1.004 716 G CA 0.724 45.826 45.100 0.003 0.000 0.921 716 G HN 0.766 nan 8.290 nan 0.000 0.511 720 G N -0.219 108.746 108.800 0.274 0.000 2.317 720 G HA2 0.392 4.353 3.960 0.002 0.000 0.293 720 G HA3 0.392 4.353 3.960 0.002 0.000 0.293 720 G C -2.136 173.027 174.900 0.437 0.000 1.287 720 G CA -0.500 44.776 45.100 0.294 0.000 0.850 720 G HN 0.902 nan 8.290 nan 0.000 0.515 721 N N -1.578 117.333 118.700 0.352 0.000 2.647 721 N HA 0.839 5.580 4.740 0.002 0.000 0.266 721 N C -1.753 173.952 175.510 0.325 0.000 1.373 721 N CA -1.017 52.169 53.050 0.227 0.000 0.807 721 N CB 2.217 40.740 38.487 0.061 0.000 1.513 721 N HN 0.756 nan 8.380 nan 0.000 0.505 722 F N -1.154 118.820 119.950 0.040 0.000 2.591 722 F HA 0.815 5.344 4.527 0.002 0.000 0.309 722 F C -0.186 175.626 175.800 0.021 0.000 1.098 722 F CA -0.061 58.026 58.000 0.144 0.000 0.937 722 F CB 1.985 41.253 39.000 0.445 0.000 1.250 722 F HN 0.887 nan 8.300 nan 0.000 0.447 726 L N 2.841 124.034 121.223 -0.050 0.000 2.410 726 L HA 0.339 4.680 4.340 0.002 0.000 0.273 726 L C -0.731 176.119 176.870 -0.034 0.000 1.152 726 L CA 0.718 55.508 54.840 -0.083 0.000 0.855 726 L CB 0.099 42.105 42.059 -0.089 0.000 1.129 726 L HN 0.655 nan 8.230 nan 0.000 0.463 727 H N 2.852 121.857 119.070 -0.109 0.000 3.198 727 H HA 0.297 4.855 4.556 0.002 0.000 0.317 727 H C -0.835 174.555 175.328 0.103 0.000 1.178 727 H CA -0.449 55.581 56.048 -0.029 0.000 1.609 727 H CB 0.628 30.378 29.762 -0.020 0.000 1.819 727 H HN 0.815 nan 8.280 nan 0.000 0.533 728 E N 3.135 123.274 120.200 -0.102 0.000 2.413 728 E HA -0.039 4.312 4.350 0.002 0.000 0.263 728 E C -0.158 176.467 176.600 0.041 0.000 1.015 728 E CA -0.283 56.203 56.400 0.143 0.000 0.916 728 E CB 0.529 30.451 29.700 0.370 0.000 0.947 728 E HN 0.588 nan 8.360 nan 0.000 0.440 729 H N 3.245 122.410 119.070 0.157 0.000 2.871 729 H HA -0.059 4.498 4.556 0.002 0.000 0.355 729 H C 0.221 175.595 175.328 0.076 0.000 1.092 729 H CA 0.283 56.400 56.048 0.115 0.000 1.420 729 H CB 1.020 30.854 29.762 0.120 0.000 1.400 729 H HN 0.647 nan 8.280 nan 0.000 0.604 730 D N 3.423 123.804 120.400 -0.032 0.000 2.309 730 D HA -0.125 4.516 4.640 0.002 0.000 0.212 730 D C 1.880 178.240 176.300 0.100 0.000 0.968 730 D CA 0.737 54.765 54.000 0.048 0.000 0.882 730 D CB 0.102 40.901 40.800 -0.001 0.000 0.918 730 D HN 0.562 nan 8.370 nan 0.000 0.503 731 K N -0.824 119.692 120.400 0.193 0.000 2.103 731 K HA -0.175 4.147 4.320 0.002 0.000 0.207 731 K C 0.759 177.096 176.600 -0.439 0.000 1.048 731 K CA 1.199 57.370 56.287 -0.193 0.000 0.930 731 K CB 0.206 32.457 32.500 -0.416 0.000 0.716 731 K HN 0.167 nan 8.250 nan 0.000 0.444 732 Y N -0.783 119.578 120.300 0.102 0.000 3.056 732 Y HA 0.198 4.749 4.550 0.002 0.000 0.294 732 Y C 0.235 176.189 175.900 0.091 0.000 1.275 732 Y CA -0.779 57.365 58.100 0.072 0.000 1.148 732 Y CB 0.075 38.567 38.460 0.052 0.000 1.085 732 Y HN -0.225 nan 8.280 nan 0.000 0.747 733 N N 0.766 119.656 118.700 0.317 0.000 2.807 733 N HA 0.156 4.898 4.740 0.002 0.000 0.259 733 N C 0.693 176.309 175.510 0.177 0.000 1.149 733 N CA -0.007 53.173 53.050 0.217 0.000 1.042 733 N CB 0.472 39.081 38.487 0.203 0.000 1.367 733 N HN 0.661 nan 8.380 nan 0.000 0.516 734 G N -0.105 108.760 108.800 0.107 0.000 2.598 734 G HA2 -0.221 3.741 3.960 0.002 0.000 0.215 734 G HA3 -0.221 3.741 3.960 0.002 0.000 0.215 734 G C 1.521 176.399 174.900 -0.037 0.000 1.131 734 G CA 0.737 45.837 45.100 0.001 0.000 0.785 734 G HN 0.514 nan 8.290 nan 0.000 0.539 735 T N -2.946 111.644 114.554 0.061 0.000 3.067 735 T HA 0.030 4.381 4.350 0.002 0.000 0.261 735 T C 1.035 175.790 174.700 0.092 0.000 1.110 735 T CA -0.068 62.081 62.100 0.082 0.000 1.113 735 T CB -0.297 68.626 68.868 0.090 0.000 0.917 735 T HN 0.379 nan 8.240 nan 0.000 0.499 736 H N 3.226 122.295 119.070 -0.003 0.000 3.015 736 H HA 0.275 4.832 4.556 0.002 0.000 0.268 736 H C 0.065 175.387 175.328 -0.010 0.000 1.113 736 H CA -0.388 55.670 56.048 0.018 0.000 1.479 736 H CB 0.266 30.073 29.762 0.074 0.000 1.493 736 H HN 0.479 nan 8.280 nan 0.000 0.486 737 R N 3.417 123.720 120.500 -0.329 0.000 2.808 737 R HA 0.810 5.152 4.340 0.002 0.000 0.272 737 R C -1.933 174.180 176.300 -0.313 0.000 0.995 737 R CA -1.247 54.692 56.100 -0.269 0.000 0.917 737 R CB 1.924 32.247 30.300 0.038 0.000 1.217 737 R HN 0.447 nan 8.270 nan 0.000 0.471 738 A N 1.700 124.375 122.820 -0.241 0.000 2.604 738 A HA 0.628 4.949 4.320 0.002 0.000 0.295 738 A C -1.421 176.057 177.584 -0.177 0.000 1.067 738 A CA -0.985 50.942 52.037 -0.184 0.000 0.683 738 A CB 1.909 20.829 19.000 -0.133 0.000 1.281 738 A HN 0.672 nan 8.150 nan 0.000 0.407 739 R N 1.036 121.404 120.500 -0.219 0.000 2.246 739 R HA 0.550 4.891 4.340 0.002 0.000 0.332 739 R C -0.789 175.509 176.300 -0.004 0.000 0.974 739 R CA 0.056 55.937 56.100 -0.364 0.000 0.837 739 R CB 1.319 31.089 30.300 -0.883 0.000 1.145 739 R HN 0.639 nan 8.270 nan 0.000 0.467 740 K N 0.975 121.451 120.400 0.127 0.000 2.316 740 K HA 0.586 4.908 4.320 0.002 0.000 0.251 740 K C -0.855 175.861 176.600 0.193 0.000 0.934 740 K CA -0.772 55.599 56.287 0.140 0.000 0.802 740 K CB 2.256 34.828 32.500 0.120 0.000 1.171 740 K HN 0.656 nan 8.250 nan 0.000 0.426 741 S N 1.347 117.005 115.700 -0.069 0.000 2.546 741 S HA 0.670 5.141 4.470 0.002 0.000 0.274 741 S C -1.117 173.120 174.600 -0.604 0.000 1.121 741 S CA -0.900 57.206 58.200 -0.157 0.000 0.887 741 S CB 0.729 64.013 63.200 0.140 0.000 1.094 741 S HN 0.397 nan 8.310 nan 0.000 0.474 742 F N 1.217 121.003 119.950 -0.274 0.000 2.532 742 F HA 0.518 5.047 4.527 0.002 0.000 0.321 742 F C 0.374 175.566 175.800 -1.014 0.000 1.089 742 F CA -0.714 56.953 58.000 -0.554 0.000 0.926 742 F CB 2.035 40.732 39.000 -0.504 0.000 1.168 742 F HN 0.599 nan 8.300 nan 0.000 0.459 743 H N 3.964 122.783 119.070 -0.417 0.000 2.860 743 H HA 0.261 4.818 4.556 0.002 0.000 0.312 743 H C -1.387 173.751 175.328 -0.316 0.000 0.995 743 H CA -0.674 55.178 56.048 -0.325 0.000 1.311 743 H CB 1.111 30.768 29.762 -0.175 0.000 1.478 743 H HN 0.466 nan 8.280 nan 0.000 0.508 744 F N 4.202 124.280 119.950 0.212 0.000 2.334 744 F HA 0.270 4.799 4.527 0.003 0.000 0.365 744 F C 0.313 176.217 175.800 0.173 0.000 1.124 744 F CA -0.642 57.470 58.000 0.186 0.000 1.166 744 F CB 0.637 39.736 39.000 0.166 0.000 1.355 744 F HN 0.283 nan 8.300 nan 0.000 0.532 745 I N 2.837 123.587 120.570 0.300 0.000 2.382 745 I HA 0.258 4.430 4.170 0.002 0.000 0.286 745 I C 0.383 176.643 176.117 0.240 0.000 1.002 745 I CA -0.480 60.961 61.300 0.235 0.000 1.135 745 I CB 0.798 38.911 38.000 0.188 0.000 1.288 745 I HN 0.552 nan 8.210 nan 0.000 0.448 746 D N 4.948 125.474 120.400 0.210 0.000 3.740 746 D HA -0.208 4.433 4.640 0.002 0.000 0.147 746 D C 0.675 177.141 176.300 0.277 0.000 0.885 746 D CA 2.301 56.418 54.000 0.195 0.000 1.051 746 D CB -0.583 40.317 40.800 0.166 0.000 0.480 746 D HN 0.766 nan 8.370 nan 0.000 0.469 750 V N 5.966 125.858 119.914 -0.037 0.000 2.383 750 V HA 0.560 4.681 4.120 0.002 0.000 0.275 750 V C -0.263 175.772 176.094 -0.098 0.000 1.036 750 V CA -0.020 62.201 62.300 -0.132 0.000 0.889 750 V CB 1.070 32.644 31.823 -0.414 0.000 0.985 750 V HN 0.900 nan 8.190 nan 0.000 0.459 751 C N 7.942 127.101 119.300 -0.235 0.000 2.281 751 C HA 0.714 5.175 4.460 0.002 0.000 0.325 751 C C -0.301 174.577 174.990 -0.188 0.000 1.282 751 C CA -0.925 57.959 59.018 -0.224 0.000 1.640 751 C CB 0.074 27.554 27.740 -0.433 0.000 2.288 751 C HN 0.723 nan 8.230 nan 0.000 0.507 752 L N 3.035 124.092 121.223 -0.276 0.000 2.362 752 L HA 0.911 5.252 4.340 0.002 0.000 0.271 752 L C 0.424 176.699 176.870 -0.992 0.000 1.002 752 L CA 0.231 54.729 54.840 -0.571 0.000 0.818 752 L CB 1.725 43.490 42.059 -0.490 0.000 1.298 752 L HN 0.924 nan 8.230 nan 0.000 0.420 753 G N 0.567 108.520 108.800 -1.411 0.000 2.719 753 G HA2 0.718 4.679 3.960 0.002 0.000 0.298 753 G HA3 0.718 4.679 3.960 0.002 0.000 0.298 753 G C -1.506 173.085 174.900 -0.516 0.000 1.411 753 G CA -0.140 44.288 45.100 -1.121 0.000 0.991 753 G HN 0.729 nan 8.290 nan 0.000 0.509 754 S N 0.026 115.640 115.700 -0.144 0.000 2.625 754 S HA 0.634 5.106 4.470 0.002 0.000 0.271 754 S C -0.505 174.056 174.600 -0.066 0.000 1.161 754 S CA -0.197 57.981 58.200 -0.036 0.000 0.820 754 S CB 1.979 65.230 63.200 0.086 0.000 1.137 754 S HN 0.873 nan 8.310 nan 0.000 0.470 755 D N -0.009 120.352 120.400 -0.065 0.000 2.837 755 D HA -0.137 4.504 4.640 0.002 0.000 0.230 755 D C -0.561 175.676 176.300 -0.104 0.000 1.152 755 D CA 0.835 54.779 54.000 -0.092 0.000 0.736 755 D CB -1.419 39.295 40.800 -0.143 0.000 1.084 755 D HN 0.638 nan 8.370 nan 0.000 0.429 756 I N 1.481 121.990 120.570 -0.101 0.000 2.452 756 I HA 0.051 4.222 4.170 0.002 0.000 0.287 756 I C 0.880 176.945 176.117 -0.086 0.000 1.079 756 I CA 0.706 61.925 61.300 -0.135 0.000 1.387 756 I CB 0.514 38.359 38.000 -0.257 0.000 1.404 756 I HN 0.029 nan 8.210 nan 0.000 0.522 757 E N 7.073 127.240 120.200 -0.055 0.000 2.363 757 E HA 0.529 4.881 4.350 0.002 0.000 0.281 757 E C -1.836 174.811 176.600 0.078 0.000 0.953 757 E CA -1.078 55.327 56.400 0.008 0.000 0.778 757 E CB 2.060 31.755 29.700 -0.007 0.000 1.220 757 E HN 0.675 nan 8.360 nan 0.000 0.431 758 N N 0.361 119.126 118.700 0.108 0.000 3.020 758 N HA 0.186 4.927 4.740 0.002 0.000 0.248 758 N C -0.416 175.148 175.510 0.090 0.000 1.480 758 N CA -0.564 52.565 53.050 0.131 0.000 0.874 758 N CB 1.709 40.322 38.487 0.210 0.000 1.433 758 N HN 0.530 nan 8.380 nan 0.000 0.530 759 T N -3.363 111.242 114.554 0.085 0.000 3.174 759 T HA 0.148 4.499 4.350 0.002 0.000 0.269 759 T C 0.324 175.061 174.700 0.061 0.000 1.017 759 T CA -0.349 61.788 62.100 0.063 0.000 0.899 759 T CB -0.498 68.401 68.868 0.053 0.000 1.077 759 T HN 0.452 nan 8.240 nan 0.000 0.552 763 Y N 1.569 121.887 120.300 0.030 0.000 2.457 763 Y HA 0.444 4.995 4.550 0.002 0.000 0.343 763 Y C -2.282 173.638 175.900 0.034 0.000 0.994 763 Y CA -1.974 56.149 58.100 0.038 0.000 1.031 763 Y CB 2.410 40.899 38.460 0.049 0.000 1.246 763 Y HN -0.272 nan 8.280 nan 0.000 0.449 764 P HA 0.114 nan 4.420 nan 0.000 0.274 764 P C -0.616 176.742 177.300 0.097 0.000 1.231 764 P CA -0.239 62.921 63.100 0.101 0.000 0.790 764 P CB 1.106 32.833 31.700 0.045 0.000 0.951 765 T N 2.224 116.833 114.554 0.092 0.000 2.799 765 T HA 0.361 4.713 4.350 0.002 0.000 0.286 765 T C -0.186 174.610 174.700 0.161 0.000 0.973 765 T CA -0.297 61.858 62.100 0.093 0.000 1.035 765 T CB 0.580 69.513 68.868 0.109 0.000 0.932 765 T HN 0.362 nan 8.240 nan 0.000 0.469 766 E N 1.360 121.626 120.200 0.110 0.000 2.292 766 E HA 0.452 4.803 4.350 0.002 0.000 0.272 766 E C -0.729 175.911 176.600 0.067 0.000 0.881 766 E CA -0.985 55.457 56.400 0.070 0.000 0.754 766 E CB 1.798 31.458 29.700 -0.066 0.000 1.201 766 E HN 0.639 nan 8.360 nan 0.000 0.425 767 T N -0.742 113.834 114.554 0.036 0.000 2.829 767 T HA 0.396 4.748 4.350 0.002 0.000 0.282 767 T C 0.046 174.613 174.700 -0.222 0.000 0.990 767 T CA -0.848 61.196 62.100 -0.095 0.000 1.028 767 T CB 1.521 70.237 68.868 -0.252 0.000 0.951 767 T HN 0.358 nan 8.240 nan 0.000 0.460 768 T N 2.827 117.267 114.554 -0.189 0.000 2.756 768 T HA 0.421 4.772 4.350 0.002 0.000 0.290 768 T C 1.222 175.756 174.700 -0.276 0.000 0.985 768 T CA -0.938 61.011 62.100 -0.251 0.000 0.955 768 T CB -0.163 68.602 68.868 -0.173 0.000 0.930 768 T HN 0.587 nan 8.240 nan 0.000 0.451 769 I N 4.080 124.342 120.570 -0.513 0.000 2.163 769 I HA 0.134 4.306 4.170 0.002 0.000 0.240 769 I C 0.432 176.449 176.117 -0.167 0.000 1.081 769 I CA 0.907 61.853 61.300 -0.589 0.000 1.353 769 I CB -0.067 37.422 38.000 -0.851 0.000 1.054 769 I HN 0.743 nan 8.210 nan 0.000 0.407 770 F N -0.783 118.976 119.950 -0.319 0.000 2.641 770 F HA 0.608 5.136 4.527 0.002 0.000 0.308 770 F C -0.895 174.861 175.800 -0.073 0.000 1.105 770 F CA -1.090 56.827 58.000 -0.138 0.000 0.964 770 F CB 1.103 39.970 39.000 -0.221 0.000 1.294 770 F HN -0.217 nan 8.300 nan 0.000 0.442 771 Q N 3.897 123.900 119.800 0.339 0.000 2.290 771 Q HA 0.685 5.026 4.340 0.002 0.000 0.269 771 Q C -2.185 174.219 176.000 0.674 0.000 1.016 771 Q CA -0.627 55.399 55.803 0.371 0.000 0.754 771 Q CB 2.009 30.861 28.738 0.190 0.000 1.247 771 Q HN 0.943 nan 8.270 nan 0.000 0.451 772 L N 2.046 123.677 121.223 0.679 0.000 2.408 772 L HA 0.772 5.114 4.340 0.002 0.000 0.268 772 L C -0.388 176.518 176.870 0.061 0.000 0.986 772 L CA -1.075 54.048 54.840 0.472 0.000 0.820 772 L CB 2.015 44.336 42.059 0.435 0.000 1.303 772 L HN 0.650 nan 8.230 nan 0.000 0.411 773 A N 2.510 124.994 122.820 -0.560 0.000 2.388 773 A HA 0.600 4.922 4.320 0.002 0.000 0.257 773 A C -0.308 177.018 177.584 -0.429 0.000 1.095 773 A CA -0.286 51.050 52.037 -1.167 0.000 0.791 773 A CB 0.680 18.890 19.000 -1.316 0.000 1.029 773 A HN 0.421 nan 8.150 nan 0.000 0.489 774 V N 3.455 123.062 119.914 -0.512 0.000 2.313 774 V HA 0.348 4.469 4.120 0.002 0.000 0.278 774 V C 1.048 176.852 176.094 -0.482 0.000 1.017 774 V CA 0.397 62.408 62.300 -0.482 0.000 0.823 774 V CB 0.474 31.947 31.823 -0.582 0.000 1.010 774 V HN 1.196 nan 8.190 nan 0.000 0.443 775 T N 0.406 114.791 114.554 -0.281 0.000 3.205 775 T HA 0.122 4.473 4.350 0.002 0.000 0.238 775 T C 0.548 175.258 174.700 0.017 0.000 0.974 775 T CA 0.257 62.283 62.100 -0.122 0.000 1.246 775 T CB 0.031 68.833 68.868 -0.111 0.000 1.007 775 T HN 0.599 nan 8.240 nan 0.000 0.414 776 D N 1.206 121.610 120.400 0.006 0.000 2.377 776 D HA 0.160 4.801 4.640 0.002 0.000 0.245 776 D C 1.229 177.622 176.300 0.154 0.000 1.196 776 D CA -0.666 53.366 54.000 0.054 0.000 0.962 776 D CB 1.163 41.976 40.800 0.021 0.000 1.127 776 D HN 0.347 nan 8.370 nan 0.000 0.471 777 K N 0.033 120.495 120.400 0.104 0.000 2.032 777 K HA -0.213 4.108 4.320 0.002 0.000 0.209 777 K C 1.855 178.525 176.600 0.117 0.000 1.048 777 K CA 1.419 57.768 56.287 0.104 0.000 0.927 777 K CB -0.512 32.004 32.500 0.026 0.000 0.712 777 K HN 0.478 nan 8.250 nan 0.000 0.441 778 A N 1.013 123.874 122.820 0.068 0.000 1.972 778 A HA -0.092 4.229 4.320 0.002 0.000 0.219 778 A C 2.309 179.925 177.584 0.053 0.000 1.169 778 A CA 1.852 53.922 52.037 0.054 0.000 0.635 778 A CB -0.670 18.345 19.000 0.026 0.000 0.810 778 A HN 0.536 nan 8.150 nan 0.000 0.446 779 A N -0.886 121.943 122.820 0.015 0.000 1.930 779 A HA -0.101 4.220 4.320 0.002 0.000 0.217 779 A C 1.902 179.449 177.584 -0.063 0.000 1.175 779 A CA 1.740 53.717 52.037 -0.099 0.000 0.627 779 A CB -0.788 18.090 19.000 -0.204 0.000 0.815 779 A HN 0.673 nan 8.150 nan 0.000 0.443 780 H N -0.080 119.000 119.070 0.017 0.000 2.357 780 H HA -0.069 4.488 4.556 0.002 0.000 0.301 780 H C 1.452 176.867 175.328 0.146 0.000 1.082 780 H CA 1.586 57.667 56.048 0.055 0.000 1.342 780 H CB 0.029 29.742 29.762 -0.082 0.000 1.389 780 H HN 0.396 nan 8.280 nan 0.000 0.511 781 D N -0.369 120.154 120.400 0.206 0.000 2.178 781 D HA -0.166 4.475 4.640 0.002 0.000 0.202 781 D C 1.768 178.136 176.300 0.112 0.000 0.974 781 D CA 0.775 54.861 54.000 0.142 0.000 0.841 781 D CB -0.370 40.486 40.800 0.093 0.000 0.953 781 D HN 0.433 nan 8.370 nan 0.000 0.478 782 Y N -0.718 119.545 120.300 -0.062 0.000 2.293 782 Y HA -0.169 4.382 4.550 0.002 0.000 0.291 782 Y C 1.479 177.234 175.900 -0.243 0.000 1.137 782 Y CA 1.310 59.272 58.100 -0.231 0.000 1.202 782 Y CB -0.201 38.009 38.460 -0.416 0.000 0.990 782 Y HN -0.038 nan 8.280 nan 0.000 0.537 783 W N 0.359 121.775 121.300 0.193 0.000 3.290 783 W HA 0.133 4.794 4.660 0.002 0.000 0.287 783 W C 1.973 178.581 176.519 0.148 0.000 1.288 783 W CA -0.307 57.154 57.345 0.193 0.000 1.725 783 W CB 0.135 29.799 29.460 0.340 0.000 1.103 783 W HN -0.188 nan 8.180 nan 0.000 0.670 784 K N 1.040 121.606 120.400 0.277 0.000 2.089 784 K HA -0.238 4.083 4.320 0.002 0.000 0.210 784 K C 0.912 177.605 176.600 0.155 0.000 1.048 784 K CA 2.006 58.416 56.287 0.206 0.000 0.926 784 K CB -0.345 32.229 32.500 0.123 0.000 0.714 784 K HN 0.485 nan 8.250 nan 0.000 0.448 785 N N -1.839 116.917 118.700 0.094 0.000 2.162 785 N HA -0.011 4.730 4.740 0.002 0.000 0.232 785 N C -0.661 174.850 175.510 0.002 0.000 1.361 785 N CA -0.326 52.758 53.050 0.057 0.000 0.786 785 N CB 0.149 38.649 38.487 0.021 0.000 1.290 785 N HN -0.149 nan 8.380 nan 0.000 0.505 786 N N 1.425 120.125 118.700 -0.001 0.000 2.416 786 N HA 0.121 4.863 4.740 0.002 0.000 0.271 786 N C 1.072 176.544 175.510 -0.064 0.000 1.245 786 N CA 0.365 53.351 53.050 -0.108 0.000 0.940 786 N CB 1.317 39.614 38.487 -0.317 0.000 1.175 786 N HN 0.491 nan 8.380 nan 0.000 0.483 787 A N 3.688 126.393 122.820 -0.192 0.000 1.877 787 A HA -0.068 4.253 4.320 0.002 0.000 0.216 787 A C 1.870 179.050 177.584 -0.673 0.000 1.186 787 A CA 1.913 53.775 52.037 -0.291 0.000 0.620 787 A CB -0.734 18.118 19.000 -0.247 0.000 0.822 787 A HN 0.655 nan 8.150 nan 0.000 0.443 788 G N -1.635 106.486 108.800 -1.132 0.000 2.437 788 G HA2 0.218 4.179 3.960 0.002 0.000 0.212 788 G HA3 0.218 4.179 3.960 0.002 0.000 0.212 788 G C 1.123 175.702 174.900 -0.534 0.000 1.174 788 G CA 0.703 45.430 45.100 -0.622 0.000 0.811 788 G HN 0.514 nan 8.290 nan 0.000 0.537 789 E N -1.393 118.373 120.200 -0.724 0.000 4.087 789 E HA 0.517 4.868 4.350 0.002 0.000 0.195 789 E C 0.268 176.649 176.600 -0.366 0.000 0.963 789 E CA -0.057 56.094 56.400 -0.414 0.000 1.167 789 E CB 1.192 30.735 29.700 -0.263 0.000 1.838 789 E HN 0.443 nan 8.360 nan 0.000 0.390 790 G N 0.418 109.097 108.800 -0.202 0.000 2.462 790 G HA2 -0.134 3.827 3.960 0.002 0.000 0.685 790 G HA3 -0.134 3.827 3.960 0.002 0.000 0.685 790 G C -0.618 174.255 174.900 -0.044 0.000 1.295 790 G CA -0.200 44.829 45.100 -0.118 0.000 0.941 790 G HN 0.208 nan 8.290 nan 0.000 0.554 791 K N -1.088 119.348 120.400 0.060 0.000 2.505 791 K HA 0.439 4.761 4.320 0.002 0.000 0.192 791 K C 0.673 177.428 176.600 0.258 0.000 1.025 791 K CA 0.799 57.174 56.287 0.148 0.000 1.086 791 K CB 0.819 33.443 32.500 0.206 0.000 0.840 791 K HN 0.987 nan 8.250 nan 0.000 0.514 792 V N 0.240 120.245 119.914 0.152 0.000 2.525 792 V HA 0.522 4.643 4.120 0.002 0.000 0.299 792 V C -1.684 174.440 176.094 0.050 0.000 1.034 792 V CA -0.825 61.611 62.300 0.226 0.000 0.863 792 V CB 0.683 32.633 31.823 0.210 0.000 0.999 792 V HN 0.220 nan 8.190 nan 0.000 0.423 796 H N -0.406 118.299 119.070 -0.608 0.000 2.555 796 H HA 0.212 4.770 4.556 0.002 0.000 0.269 796 H C 0.908 175.940 175.328 -0.492 0.000 0.988 796 H CA 0.372 55.823 56.048 -0.995 0.000 1.178 796 H CB -0.108 29.267 29.762 -0.646 0.000 1.373 796 H HN 0.327 nan 8.280 nan 0.000 0.588 797 L N 0.051 120.913 121.223 -0.601 0.000 2.667 797 L HA 0.319 4.660 4.340 0.002 0.000 0.232 797 L C 1.409 178.113 176.870 -0.277 0.000 1.138 797 L CA 0.327 54.922 54.840 -0.408 0.000 0.921 797 L CB 0.393 42.217 42.059 -0.391 0.000 1.180 797 L HN 0.474 nan 8.230 nan 0.000 0.487 798 G N 0.619 109.251 108.800 -0.280 0.000 2.159 798 G HA2 -0.296 3.665 3.960 0.002 0.000 0.256 798 G HA3 -0.296 3.665 3.960 0.002 0.000 0.256 798 G C 0.411 175.190 174.900 -0.200 0.000 0.977 798 G CA 0.475 45.455 45.100 -0.200 0.000 0.652 798 G HN 0.379 nan 8.290 nan 0.000 0.531 799 T N -0.252 114.157 114.554 -0.242 0.000 2.799 799 T HA 0.668 5.019 4.350 0.002 0.000 0.286 799 T C 0.763 175.241 174.700 -0.369 0.000 0.973 799 T CA 0.725 62.613 62.100 -0.354 0.000 1.035 799 T CB 1.405 70.004 68.868 -0.448 0.000 0.932 799 T HN 1.344 nan 8.240 nan 0.000 0.469 800 G N 2.732 111.299 108.800 -0.388 0.000 2.412 800 G HA2 0.590 4.552 3.960 0.002 0.000 0.318 800 G HA3 0.590 4.552 3.960 0.002 0.000 0.318 800 G C -1.628 173.049 174.900 -0.370 0.000 1.146 800 G CA -0.656 44.311 45.100 -0.222 0.000 0.882 800 G HN 0.744 nan 8.290 nan 0.000 0.501 801 Y N -0.018 120.404 120.300 0.204 0.000 2.327 801 Y HA 0.260 4.812 4.550 0.002 0.000 0.325 801 Y C -0.728 175.414 175.900 0.405 0.000 0.999 801 Y CA -0.952 57.333 58.100 0.308 0.000 1.195 801 Y CB 1.890 40.575 38.460 0.375 0.000 1.132 801 Y HN 0.632 nan 8.280 nan 0.000 0.455 802 Y N 3.956 124.472 120.300 0.359 0.000 2.425 802 Y HA 0.593 5.145 4.550 0.002 0.000 0.347 802 Y C -0.981 175.205 175.900 0.476 0.000 0.976 802 Y CA -0.696 57.641 58.100 0.395 0.000 1.190 802 Y CB 0.589 39.292 38.460 0.406 0.000 1.136 802 Y HN 0.371 nan 8.280 nan 0.000 0.517 803 V N 9.929 129.874 119.914 0.051 0.000 2.289 803 V HA 0.220 4.341 4.120 0.002 0.000 0.272 803 V C -1.829 174.189 176.094 -0.126 0.000 1.026 803 V CA -1.232 61.090 62.300 0.036 0.000 0.807 803 V CB 1.114 33.060 31.823 0.205 0.000 1.044 803 V HN 0.746 nan 8.190 nan 0.000 0.443 804 P HA -0.008 nan 4.420 nan 0.000 0.224 804 P C 0.634 177.932 177.300 -0.003 0.000 1.157 804 P CA 0.793 63.797 63.100 -0.159 0.000 0.799 804 P CB 0.339 31.948 31.700 -0.152 0.000 0.809 805 V N -2.363 117.572 119.914 0.034 0.000 2.953 805 V HA 0.676 4.797 4.120 0.002 0.000 0.304 805 V C 0.405 176.523 176.094 0.040 0.000 1.073 805 V CA -1.414 60.918 62.300 0.054 0.000 1.064 805 V CB 0.036 31.913 31.823 0.089 0.000 1.047 805 V HN 0.119 nan 8.190 nan 0.000 0.478 806 A N 2.263 125.098 122.820 0.025 0.000 2.524 806 A HA 0.667 4.989 4.320 0.002 0.000 0.250 806 A C 0.428 177.993 177.584 -0.031 0.000 1.078 806 A CA 0.417 52.461 52.037 0.012 0.000 0.761 806 A CB -0.659 18.343 19.000 0.004 0.000 1.012 806 A HN 2.248 nan 8.150 nan 0.000 0.500 807 A N 3.138 125.945 122.820 -0.022 0.000 2.475 807 A HA 0.746 5.068 4.320 0.002 0.000 0.301 807 A C -0.119 177.416 177.584 -0.082 0.000 1.059 807 A CA -0.700 51.272 52.037 -0.108 0.000 0.710 807 A CB 1.162 20.056 19.000 -0.176 0.000 1.288 807 A HN 0.878 nan 8.150 nan 0.000 0.408 808 R N 1.162 121.565 120.500 -0.161 0.000 2.393 808 R HA 0.554 4.895 4.340 0.002 0.000 0.310 808 R C -1.825 174.368 176.300 -0.178 0.000 0.968 808 R CA -0.412 55.614 56.100 -0.123 0.000 0.867 808 R CB 1.000 31.208 30.300 -0.154 0.000 1.124 808 R HN 0.667 nan 8.270 nan 0.000 0.450 809 F N 2.956 122.756 119.950 -0.250 0.000 2.458 809 F HA 0.362 4.890 4.527 0.002 0.000 0.336 809 F C -0.755 174.888 175.800 -0.260 0.000 1.114 809 F CA -0.500 57.304 58.000 -0.326 0.000 0.987 809 F CB 1.446 40.357 39.000 -0.149 0.000 1.130 809 F HN 0.465 nan 8.300 nan 0.000 0.458 810 E N 5.200 124.769 120.200 -1.052 0.000 2.210 810 E HA 0.222 4.573 4.350 0.002 0.000 0.266 810 E C -1.204 174.715 176.600 -1.135 0.000 0.883 810 E CA -0.986 54.898 56.400 -0.859 0.000 0.761 810 E CB 2.060 31.434 29.700 -0.542 0.000 1.156 810 E HN 0.448 nan 8.360 nan 0.000 0.412 811 K N 3.621 123.492 120.400 -0.881 0.000 2.484 811 K HA 0.257 4.578 4.320 0.002 0.000 0.226 811 K C -1.088 175.065 176.600 -0.744 0.000 1.031 811 K CA -0.280 55.463 56.287 -0.906 0.000 1.026 811 K CB 0.104 32.145 32.500 -0.764 0.000 1.412 811 K HN 0.488 nan 8.250 nan 0.000 0.492 812 N N 3.996 122.369 118.700 -0.546 0.000 2.645 812 N HA 0.176 4.918 4.740 0.002 0.000 0.233 812 N C -1.464 174.040 175.510 -0.010 0.000 1.058 812 N CA -0.457 52.440 53.050 -0.255 0.000 0.942 812 N CB 0.397 38.797 38.487 -0.145 0.000 1.210 812 N HN 0.167 nan 8.380 nan 0.000 0.512 813 F N 2.729 122.646 119.950 -0.055 0.000 2.311 813 F HA 0.425 4.953 4.527 0.002 0.000 0.371 813 F C -1.561 174.213 175.800 -0.043 0.000 1.083 813 F CA -2.867 55.114 58.000 -0.030 0.000 1.113 813 F CB 0.017 39.027 39.000 0.018 0.000 1.349 813 F HN 0.290 nan 8.300 nan 0.000 0.470 814 P HA 0.457 nan 4.420 nan 0.000 0.310 814 P C -1.458 175.765 177.300 -0.128 0.000 1.309 814 P CA -0.748 62.342 63.100 -0.015 0.000 0.769 814 P CB 1.370 32.949 31.700 -0.203 0.000 1.327 815 Q N -0.949 118.764 119.800 -0.145 0.000 2.375 815 Q HA 0.439 4.781 4.340 0.002 0.000 0.271 815 Q C -1.574 174.250 176.000 -0.293 0.000 1.074 815 Q CA -0.644 55.061 55.803 -0.163 0.000 0.808 815 Q CB 1.235 29.950 28.738 -0.039 0.000 1.327 815 Q HN 0.353 nan 8.270 nan 0.000 0.441 816 Y N 0.824 121.105 120.300 -0.031 0.000 2.361 816 Y HA 0.630 5.182 4.550 0.002 0.000 0.332 816 Y C 0.391 176.237 175.900 -0.090 0.000 1.101 816 Y CA -0.144 57.935 58.100 -0.035 0.000 1.137 816 Y CB 2.312 40.758 38.460 -0.023 0.000 1.207 816 Y HN 0.647 nan 8.280 nan 0.000 0.463 817 S N 1.787 117.543 115.700 0.092 0.000 2.843 817 S HA 0.730 5.201 4.470 0.002 0.000 0.301 817 S C -1.213 173.426 174.600 0.065 0.000 1.206 817 S CA -0.869 57.340 58.200 0.016 0.000 0.875 817 S CB 1.314 64.479 63.200 -0.059 0.000 1.248 817 S HN 0.700 nan 8.310 nan 0.000 0.555 821 D N 0.414 120.836 120.400 0.036 0.000 2.652 821 D HA 0.095 4.737 4.640 0.002 0.000 0.261 821 D C 1.521 177.774 176.300 -0.080 0.000 1.024 821 D CA 1.663 55.617 54.000 -0.077 0.000 0.958 821 D CB -0.655 40.098 40.800 -0.078 0.000 1.113 821 D HN 0.149 nan 8.370 nan 0.000 0.471 822 T N -1.072 113.483 114.554 0.002 0.000 2.978 822 T HA 0.289 4.640 4.350 0.002 0.000 0.262 822 T C 1.733 176.457 174.700 0.040 0.000 1.063 822 T CA 1.117 63.224 62.100 0.011 0.000 1.140 822 T CB -0.210 68.683 68.868 0.040 0.000 0.886 822 T HN 0.526 nan 8.240 nan 0.000 0.470 823 G N 1.739 110.600 108.800 0.102 0.000 2.179 823 G HA2 -0.274 3.687 3.960 0.002 0.000 0.260 823 G HA3 -0.274 3.687 3.960 0.002 0.000 0.260 823 G C 0.137 175.119 174.900 0.136 0.000 0.977 823 G CA 0.144 45.349 45.100 0.175 0.000 0.641 823 G HN 0.491 nan 8.290 nan 0.000 0.533 824 K N 0.990 121.455 120.400 0.109 0.000 2.436 824 K HA 0.226 4.548 4.320 0.002 0.000 0.275 824 K C 0.664 177.326 176.600 0.102 0.000 0.999 824 K CA -0.069 56.272 56.287 0.090 0.000 0.980 824 K CB 0.296 32.843 32.500 0.080 0.000 0.919 824 K HN 0.426 nan 8.250 nan 0.000 0.484 825 E N 1.708 121.959 120.200 0.086 0.000 2.415 825 E HA -0.020 4.331 4.350 0.002 0.000 0.263 825 E C -0.375 176.298 176.600 0.122 0.000 0.995 825 E CA 0.392 56.851 56.400 0.099 0.000 0.915 825 E CB 0.669 30.419 29.700 0.083 0.000 0.951 825 E HN 0.523 nan 8.360 nan 0.000 0.449 826 T N 0.860 115.497 114.554 0.139 0.000 2.906 826 T HA 0.631 4.982 4.350 0.002 0.000 0.295 826 T C -0.580 174.191 174.700 0.119 0.000 1.061 826 T CA -1.202 60.974 62.100 0.127 0.000 1.000 826 T CB 1.925 70.870 68.868 0.128 0.000 1.103 826 T HN 0.465 nan 8.240 nan 0.000 0.486 827 K N -0.032 120.412 120.400 0.072 0.000 2.482 827 K HA 0.896 5.218 4.320 0.002 0.000 0.257 827 K C -0.610 176.012 176.600 0.038 0.000 0.969 827 K CA -1.159 55.116 56.287 -0.020 0.000 0.842 827 K CB 2.100 34.513 32.500 -0.145 0.000 1.359 827 K HN 1.091 nan 8.250 nan 0.000 0.441 828 G N 0.734 109.580 108.800 0.076 0.000 2.579 828 G HA2 0.270 4.231 3.960 0.002 0.000 0.292 828 G HA3 0.270 4.231 3.960 0.002 0.000 0.292 828 G C -1.928 173.066 174.900 0.156 0.000 1.484 828 G CA -0.809 44.362 45.100 0.119 0.000 0.813 828 G HN 0.514 nan 8.290 nan 0.000 0.515 829 D N 0.358 120.726 120.400 -0.054 0.000 2.336 829 D HA 0.431 5.072 4.640 0.002 0.000 0.249 829 D C -0.837 175.406 176.300 -0.095 0.000 1.213 829 D CA 0.611 54.615 54.000 0.007 0.000 0.870 829 D CB 0.647 41.251 40.800 -0.327 0.000 1.076 829 D HN 0.279 nan 8.370 nan 0.000 0.483 830 W N 1.582 122.977 121.300 0.157 0.000 2.844 830 W HA 0.539 5.200 4.660 0.002 0.000 0.340 830 W C -0.617 175.844 176.519 -0.096 0.000 1.093 830 W CA -1.040 56.320 57.345 0.025 0.000 1.212 830 W CB 1.597 31.018 29.460 -0.065 0.000 1.422 830 W HN -0.018 nan 8.180 nan 0.000 0.515 831 V N 3.000 122.970 119.914 0.095 0.000 2.588 831 V HA 0.773 4.894 4.120 0.002 0.000 0.304 831 V C -0.856 175.157 176.094 -0.135 0.000 1.042 831 V CA -0.403 61.747 62.300 -0.249 0.000 0.877 831 V CB 1.735 33.240 31.823 -0.530 0.000 0.996 831 V HN 0.535 nan 8.190 nan 0.000 0.425 832 S N 6.882 122.279 115.700 -0.505 0.000 2.541 832 S HA 0.663 5.134 4.470 0.002 0.000 0.280 832 S C -1.155 172.881 174.600 -0.941 0.000 1.112 832 S CA -0.544 57.285 58.200 -0.617 0.000 0.925 832 S CB 1.830 64.760 63.200 -0.451 0.000 1.067 832 S HN 0.717 nan 8.310 nan 0.000 0.479 833 L N 4.146 124.581 121.223 -1.314 0.000 2.372 833 L HA 0.654 4.995 4.340 0.002 0.000 0.274 833 L C -1.336 175.026 176.870 -0.846 0.000 0.988 833 L CA -0.764 53.383 54.840 -1.155 0.000 0.833 833 L CB 0.917 41.972 42.059 -1.673 0.000 1.236 833 L HN 0.783 nan 8.230 nan 0.000 0.410 834 I N 1.594 121.810 120.570 -0.589 0.000 2.785 834 I HA 0.549 4.721 4.170 0.002 0.000 0.302 834 I C -0.803 175.081 176.117 -0.389 0.000 1.069 834 I CA -0.862 60.163 61.300 -0.458 0.000 1.045 834 I CB 2.385 40.164 38.000 -0.368 0.000 1.236 834 I HN 0.357 nan 8.210 nan 0.000 0.429 835 I N 3.305 123.651 120.570 -0.372 0.000 2.304 835 I HA 0.188 4.359 4.170 0.002 0.000 0.291 835 I C -0.486 175.388 176.117 -0.406 0.000 1.018 835 I CA 0.025 61.110 61.300 -0.358 0.000 1.260 835 I CB 0.784 38.578 38.000 -0.344 0.000 1.390 835 I HN 0.558 nan 8.210 nan 0.000 0.475 836 D N 6.436 126.647 120.400 -0.315 0.000 2.422 836 D HA 0.145 4.786 4.640 0.002 0.000 0.227 836 D C -0.036 176.122 176.300 -0.237 0.000 1.190 836 D CA -0.110 53.751 54.000 -0.232 0.000 0.905 836 D CB 0.183 40.893 40.800 -0.150 0.000 1.034 836 D HN 0.381 nan 8.370 nan 0.000 0.507 837 H N 0.769 119.834 119.070 -0.008 0.000 2.607 837 H HA 0.482 5.039 4.556 0.002 0.000 0.367 837 H C 1.376 176.711 175.328 0.011 0.000 1.181 837 H CA -0.250 55.811 56.048 0.022 0.000 1.402 837 H CB 0.911 30.705 29.762 0.052 0.000 1.474 837 H HN 0.419 nan 8.280 nan 0.000 0.596 838 G N 0.378 109.264 108.800 0.144 0.000 2.525 838 G HA2 0.131 4.093 3.960 0.002 0.000 0.276 838 G HA3 0.131 4.093 3.960 0.002 0.000 0.276 838 G C -0.576 174.369 174.900 0.075 0.000 1.388 838 G CA -0.798 44.348 45.100 0.077 0.000 1.050 838 G HN 0.517 nan 8.290 nan 0.000 0.520 839 K N 0.007 120.436 120.400 0.048 0.000 2.276 839 K HA 0.452 4.774 4.320 0.002 0.000 0.283 839 K C 0.417 177.045 176.600 0.046 0.000 1.044 839 K CA 0.478 56.791 56.287 0.044 0.000 0.944 839 K CB 1.284 33.792 32.500 0.014 0.000 1.012 839 K HN 0.937 nan 8.250 nan 0.000 0.472 840 A N 3.309 126.163 122.820 0.057 0.000 2.251 840 A HA -0.104 4.217 4.320 0.002 0.000 0.283 840 A C -2.079 175.538 177.584 0.056 0.000 1.415 840 A CA -0.424 51.647 52.037 0.058 0.000 0.742 840 A CB -1.706 17.319 19.000 0.042 0.000 1.151 840 A HN 0.501 nan 8.150 nan 0.000 0.354 841 P HA 0.245 nan 4.420 nan 0.000 0.272 841 P C 0.577 177.899 177.300 0.038 0.000 1.223 841 P CA -0.116 63.018 63.100 0.057 0.000 0.784 841 P CB 0.853 32.586 31.700 0.056 0.000 0.923 842 K N 1.173 121.592 120.400 0.031 0.000 2.262 842 K HA 0.307 4.628 4.320 0.002 0.000 0.200 842 K C 0.944 177.548 176.600 0.006 0.000 1.058 842 K CA 0.717 57.016 56.287 0.019 0.000 0.974 842 K CB 0.318 32.829 32.500 0.019 0.000 0.910 842 K HN 0.466 nan 8.250 nan 0.000 0.484 843 A N 1.507 124.334 122.820 0.011 0.000 3.165 843 A HA 0.370 4.691 4.320 0.002 0.000 0.212 843 A C 0.067 177.660 177.584 0.015 0.000 0.935 843 A CA -0.511 51.526 52.037 -0.000 0.000 1.100 843 A CB 0.140 19.141 19.000 0.001 0.000 1.260 843 A HN 0.194 nan 8.150 nan 0.000 0.532 844 G N 0.858 109.663 108.800 0.009 0.000 2.554 844 G HA2 0.473 4.435 3.960 0.002 0.000 0.238 844 G HA3 0.473 4.435 3.960 0.002 0.000 0.238 844 G C 0.272 175.213 174.900 0.069 0.000 1.259 844 G CA 0.763 45.902 45.100 0.065 0.000 0.843 844 G HN 1.492 nan 8.290 nan 0.000 0.582 845 S N -0.365 115.470 115.700 0.225 0.000 2.607 845 S HA 0.790 5.261 4.470 0.002 0.000 0.273 845 S C -1.072 173.737 174.600 0.347 0.000 1.148 845 S CA -0.888 57.413 58.200 0.168 0.000 0.833 845 S CB 1.886 65.120 63.200 0.057 0.000 1.130 845 S HN 1.623 nan 8.310 nan 0.000 0.470 846 Y N -1.234 119.169 120.300 0.172 0.000 2.609 846 Y HA 0.838 5.389 4.550 0.002 0.000 0.336 846 Y C -1.158 174.817 175.900 0.124 0.000 1.129 846 Y CA -0.836 57.367 58.100 0.171 0.000 1.040 846 Y CB 1.423 40.031 38.460 0.247 0.000 1.310 846 Y HN 0.958 nan 8.280 nan 0.000 0.460 847 E N 2.767 123.177 120.200 0.349 0.000 2.313 847 E HA 0.443 4.794 4.350 0.002 0.000 0.280 847 E C -2.290 174.547 176.600 0.395 0.000 0.898 847 E CA -0.669 55.880 56.400 0.248 0.000 0.803 847 E CB 1.830 31.618 29.700 0.148 0.000 1.286 847 E HN 0.778 nan 8.360 nan 0.000 0.401 848 Y N 1.016 121.480 120.300 0.272 0.000 2.609 848 Y HA 0.837 5.388 4.550 0.002 0.000 0.336 848 Y C -1.773 174.316 175.900 0.315 0.000 1.129 848 Y CA -0.985 57.274 58.100 0.264 0.000 1.040 848 Y CB 1.114 39.706 38.460 0.220 0.000 1.310 848 Y HN 0.422 nan 8.280 nan 0.000 0.460 849 A N 2.922 126.017 122.820 0.458 0.000 2.386 849 A HA 0.841 5.162 4.320 0.002 0.000 0.311 849 A C -1.518 176.232 177.584 0.277 0.000 1.068 849 A CA -0.928 51.292 52.037 0.304 0.000 0.743 849 A CB 1.024 20.304 19.000 0.466 0.000 1.258 849 A HN 0.739 nan 8.150 nan 0.000 0.429 850 I N 2.361 122.995 120.570 0.106 0.000 2.362 850 I HA 0.346 4.518 4.170 0.002 0.000 0.289 850 I C -0.902 175.068 176.117 -0.245 0.000 0.994 850 I CA -0.301 60.950 61.300 -0.082 0.000 1.158 850 I CB 1.529 39.516 38.000 -0.022 0.000 1.315 850 I HN 0.447 nan 8.210 nan 0.000 0.451 851 L N 7.717 128.712 121.223 -0.381 0.000 2.337 851 L HA 0.494 4.835 4.340 0.002 0.000 0.269 851 L C -2.605 173.953 176.870 -0.521 0.000 1.018 851 L CA -1.878 52.724 54.840 -0.397 0.000 0.876 851 L CB 0.859 42.715 42.059 -0.339 0.000 1.236 851 L HN 0.234 nan 8.230 nan 0.000 0.436 852 P HA 0.181 nan 4.420 nan 0.000 0.277 852 P C 0.710 177.615 177.300 -0.658 0.000 1.240 852 P CA 0.148 62.690 63.100 -0.931 0.000 0.798 852 P CB 1.062 31.741 31.700 -1.702 0.000 0.979 853 G N 0.308 108.883 108.800 -0.374 0.000 2.350 853 G HA2 -0.189 3.772 3.960 0.002 0.000 0.298 853 G HA3 -0.189 3.772 3.960 0.002 0.000 0.298 853 G C 0.226 175.085 174.900 -0.068 0.000 1.037 853 G CA 0.527 45.555 45.100 -0.120 0.000 1.074 853 G HN 0.789 nan 8.290 nan 0.000 0.511 854 T N -0.926 113.561 114.554 -0.112 0.000 2.844 854 T HA 0.689 5.041 4.350 0.002 0.000 0.274 854 T C -0.043 174.630 174.700 -0.045 0.000 0.991 854 T CA 0.344 62.402 62.100 -0.069 0.000 0.983 854 T CB 1.179 69.985 68.868 -0.103 0.000 1.310 854 T HN 0.629 nan 8.240 nan 0.000 0.596 855 D N -0.835 119.552 120.400 -0.022 0.000 2.477 855 D HA 0.503 5.144 4.640 0.002 0.000 0.234 855 D C 0.804 177.107 176.300 0.005 0.000 1.048 855 D CA -0.899 53.096 54.000 -0.007 0.000 0.959 855 D CB 1.143 41.944 40.800 0.003 0.000 1.408 855 D HN 0.322 nan 8.370 nan 0.000 0.496 856 R N 0.426 120.934 120.500 0.013 0.000 2.091 856 R HA -0.153 4.189 4.340 0.002 0.000 0.238 856 R C 1.828 178.143 176.300 0.026 0.000 1.136 856 R CA 1.912 58.024 56.100 0.021 0.000 0.959 856 R CB -0.243 30.067 30.300 0.015 0.000 0.856 856 R HN 0.590 nan 8.270 nan 0.000 0.437 857 K N -0.476 119.938 120.400 0.022 0.000 2.026 857 K HA -0.077 4.245 4.320 0.002 0.000 0.208 857 K C 0.184 176.809 176.600 0.042 0.000 1.048 857 K CA 1.589 57.892 56.287 0.027 0.000 0.929 857 K CB -0.240 32.272 32.500 0.021 0.000 0.713 857 K HN 0.207 nan 8.250 nan 0.000 0.439 861 A N 0.596 123.459 122.820 0.072 0.000 1.969 861 A HA 0.343 4.664 4.320 0.002 0.000 0.218 861 A C 1.840 179.442 177.584 0.030 0.000 1.169 861 A CA 1.383 53.446 52.037 0.043 0.000 0.635 861 A CB -0.993 18.033 19.000 0.043 0.000 0.810 861 A HN 0.520 nan 8.150 nan 0.000 0.445 862 F N 0.608 120.513 119.950 -0.074 0.000 2.206 862 F HA 0.020 4.549 4.527 0.002 0.000 0.298 862 F C 2.485 178.117 175.800 -0.281 0.000 1.090 862 F CA 1.025 58.928 58.000 -0.162 0.000 1.323 862 F CB -0.084 38.840 39.000 -0.126 0.000 1.028 862 F HN 0.255 nan 8.300 nan 0.000 0.492 863 A N 0.328 123.193 122.820 0.076 0.000 1.930 863 A HA -0.143 4.179 4.320 0.002 0.000 0.217 863 A C 2.223 179.800 177.584 -0.013 0.000 1.175 863 A CA 1.402 53.488 52.037 0.082 0.000 0.627 863 A CB -0.421 18.710 19.000 0.217 0.000 0.815 863 A HN 0.251 nan 8.150 nan 0.000 0.443 864 K N -0.231 120.148 120.400 -0.035 0.000 2.062 864 K HA 0.000 4.321 4.320 0.002 0.000 0.205 864 K C -0.074 176.453 176.600 -0.123 0.000 1.051 864 K CA 1.022 57.278 56.287 -0.051 0.000 0.941 864 K CB -0.177 32.304 32.500 -0.032 0.000 0.719 864 K HN 0.273 nan 8.250 nan 0.000 0.440 865 K N 1.051 121.328 120.400 -0.204 0.000 2.626 865 K HA 0.278 4.599 4.320 0.002 0.000 0.223 865 K C -2.812 173.464 176.600 -0.540 0.000 0.992 865 K CA -1.751 54.367 56.287 -0.282 0.000 1.024 865 K CB 1.778 34.164 32.500 -0.191 0.000 1.225 865 K HN -0.136 nan 8.250 nan 0.000 0.498 866 P HA -0.015 nan 4.420 nan 0.000 0.268 866 P C 0.101 176.840 177.300 -0.934 0.000 1.204 866 P CA -0.010 62.316 63.100 -1.289 0.000 0.768 866 P CB 1.176 32.193 31.700 -1.138 0.000 0.842 867 A N 2.976 125.197 122.820 -0.999 0.000 2.209 867 A HA 0.018 4.339 4.320 0.002 0.000 0.212 867 A C 0.444 177.978 177.584 -0.082 0.000 1.158 867 A CA 0.884 52.729 52.037 -0.320 0.000 0.742 867 A CB -1.109 17.886 19.000 -0.009 0.000 0.790 867 A HN 0.673 nan 8.150 nan 0.000 0.472 868 Y N -3.628 116.576 120.300 -0.159 0.000 2.602 868 Y HA 0.800 5.351 4.550 0.002 0.000 0.342 868 Y C -0.450 175.404 175.900 -0.077 0.000 1.029 868 Y CA -1.445 56.614 58.100 -0.068 0.000 1.080 868 Y CB 1.033 39.493 38.460 0.000 0.000 1.284 868 Y HN -0.166 nan 8.280 nan 0.000 0.485 869 S N 1.373 117.149 115.700 0.126 0.000 2.571 869 S HA 0.496 4.967 4.470 0.002 0.000 0.284 869 S C -1.115 173.565 174.600 0.134 0.000 1.128 869 S CA -0.932 57.303 58.200 0.058 0.000 0.970 869 S CB 1.567 64.755 63.200 -0.019 0.000 1.039 869 S HN 0.865 nan 8.310 nan 0.000 0.485 870 V N 3.443 123.443 119.914 0.144 0.000 2.470 870 V HA 0.360 4.481 4.120 0.002 0.000 0.276 870 V C 0.915 177.017 176.094 0.014 0.000 1.040 870 V CA -0.171 62.170 62.300 0.068 0.000 1.008 870 V CB -0.154 31.720 31.823 0.085 0.000 0.990 870 V HN 0.921 nan 8.190 nan 0.000 0.477 871 L N 2.882 124.086 121.223 -0.031 0.000 2.145 871 L HA 0.193 4.534 4.340 0.002 0.000 0.201 871 L C 1.167 178.034 176.870 -0.005 0.000 1.075 871 L CA 1.048 55.870 54.840 -0.031 0.000 0.773 871 L CB 0.019 42.030 42.059 -0.079 0.000 0.936 871 L HN 1.021 nan 8.230 nan 0.000 0.451 872 Q N -0.894 118.906 119.800 0.001 0.000 2.482 872 Q HA 0.357 4.698 4.340 0.002 0.000 0.286 872 Q C -1.083 174.969 176.000 0.087 0.000 1.007 872 Q CA -0.746 55.080 55.803 0.038 0.000 0.801 872 Q CB 2.053 30.815 28.738 0.040 0.000 1.455 872 Q HN -0.007 nan 8.270 nan 0.000 0.398 873 Q N 1.756 121.627 119.800 0.118 0.000 3.761 873 Q HA 0.258 4.600 4.340 0.002 0.000 0.206 873 Q C -1.968 174.148 176.000 0.193 0.000 0.900 873 Q CA -0.044 55.897 55.803 0.229 0.000 0.737 873 Q CB 0.787 29.568 28.738 0.073 0.000 1.454 873 Q HN 0.832 nan 8.270 nan 0.000 0.448 874 D N -0.352 120.148 120.400 0.166 0.000 2.812 874 D HA 0.147 4.788 4.640 0.002 0.000 0.318 874 D C 0.818 177.089 176.300 -0.049 0.000 1.234 874 D CA -0.665 53.365 54.000 0.051 0.000 0.989 874 D CB 0.268 41.082 40.800 0.023 0.000 1.442 874 D HN 0.364 nan 8.370 nan 0.000 0.537 875 R N -0.170 120.274 120.500 -0.092 0.000 2.159 875 R HA -0.101 4.240 4.340 0.002 0.000 0.237 875 R C 0.748 176.975 176.300 -0.122 0.000 1.131 875 R CA 1.242 57.233 56.100 -0.182 0.000 0.982 875 R CB -0.688 29.522 30.300 -0.150 0.000 0.868 875 R HN 0.240 nan 8.270 nan 0.000 0.453 876 N N 0.967 119.641 118.700 -0.043 0.000 2.135 876 N HA 0.033 4.775 4.740 0.002 0.000 0.186 876 N C 0.376 175.910 175.510 0.041 0.000 1.027 876 N CA 1.495 54.539 53.050 -0.009 0.000 0.849 876 N CB 0.132 38.611 38.487 -0.013 0.000 1.002 876 N HN 0.418 nan 8.380 nan 0.000 0.425 877 A N -0.730 122.115 122.820 0.041 0.000 2.604 877 A HA 0.561 4.883 4.320 0.002 0.000 0.295 877 A C -1.775 175.825 177.584 0.026 0.000 1.067 877 A CA -0.637 51.400 52.037 -0.000 0.000 0.683 877 A CB 0.611 19.616 19.000 0.007 0.000 1.281 877 A HN 0.328 nan 8.150 nan 0.000 0.407 878 H N 0.713 119.847 119.070 0.107 0.000 2.673 878 H HA 0.573 5.130 4.556 0.002 0.000 0.293 878 H C -0.827 174.493 175.328 -0.013 0.000 1.065 878 H CA -0.232 55.866 56.048 0.083 0.000 1.236 878 H CB 0.967 30.843 29.762 0.190 0.000 1.389 878 H HN 0.504 nan 8.280 nan 0.000 0.481 879 I N 4.292 124.866 120.570 0.007 0.000 2.530 879 I HA 0.398 4.569 4.170 0.002 0.000 0.297 879 I C -0.810 175.154 176.117 -0.254 0.000 1.011 879 I CA -0.883 60.297 61.300 -0.200 0.000 1.107 879 I CB 2.234 40.077 38.000 -0.263 0.000 1.285 879 I HN 0.397 nan 8.210 nan 0.000 0.436 880 L N 5.865 126.874 121.223 -0.356 0.000 2.505 880 L HA 0.570 4.911 4.340 0.002 0.000 0.259 880 L C -1.536 175.207 176.870 -0.213 0.000 0.952 880 L CA -0.176 54.492 54.840 -0.287 0.000 0.840 880 L CB 2.263 44.026 42.059 -0.493 0.000 1.358 880 L HN 0.813 nan 8.230 nan 0.000 0.409 881 E N 2.063 122.209 120.200 -0.091 0.000 2.312 881 E HA 0.585 4.936 4.350 0.002 0.000 0.267 881 E C -1.634 174.984 176.600 0.031 0.000 0.894 881 E CA -0.938 55.438 56.400 -0.040 0.000 0.773 881 E CB 2.173 31.849 29.700 -0.040 0.000 1.241 881 E HN 0.434 nan 8.360 nan 0.000 0.432 882 S N 2.480 118.205 115.700 0.042 0.000 2.718 882 S HA 0.316 4.787 4.470 0.002 0.000 0.294 882 S C -1.878 172.747 174.600 0.043 0.000 1.157 882 S CA -1.698 56.540 58.200 0.063 0.000 1.121 882 S CB 1.191 64.450 63.200 0.100 0.000 1.015 882 S HN 0.520 nan 8.310 nan 0.000 0.479 883 P HA -0.108 nan 4.420 nan 0.000 0.217 883 P C 1.548 178.863 177.300 0.025 0.000 1.150 883 P CA 1.220 64.331 63.100 0.018 0.000 0.832 883 P CB -0.096 31.603 31.700 -0.001 0.000 0.787 884 S N -0.381 115.334 115.700 0.025 0.000 2.368 884 S HA -0.111 4.360 4.470 0.002 0.000 0.224 884 S C 1.687 176.317 174.600 0.050 0.000 1.029 884 S CA 1.133 59.353 58.200 0.033 0.000 0.988 884 S CB -1.154 62.064 63.200 0.031 0.000 0.838 884 S HN 0.057 nan 8.310 nan 0.000 0.462 885 D N 0.988 121.425 120.400 0.063 0.000 2.349 885 D HA 0.105 4.747 4.640 0.002 0.000 0.215 885 D C 0.102 176.441 176.300 0.065 0.000 1.016 885 D CA 0.151 54.194 54.000 0.073 0.000 0.870 885 D CB 0.020 40.876 40.800 0.094 0.000 0.917 885 D HN 0.204 nan 8.370 nan 0.000 0.524 886 R N -0.079 120.455 120.500 0.057 0.000 3.531 886 R HA -0.175 4.167 4.340 0.002 0.000 0.280 886 R C -0.449 175.885 176.300 0.058 0.000 1.130 886 R CA 0.400 56.532 56.100 0.054 0.000 0.757 886 R CB -2.565 27.768 30.300 0.054 0.000 1.218 886 R HN 0.309 nan 8.270 nan 0.000 0.454 887 I N 0.207 120.813 120.570 0.059 0.000 2.509 887 I HA 0.285 4.457 4.170 0.002 0.000 0.293 887 I C 0.305 176.448 176.117 0.043 0.000 1.020 887 I CA -0.523 60.815 61.300 0.063 0.000 1.088 887 I CB 2.382 40.429 38.000 0.078 0.000 1.267 887 I HN -0.113 nan 8.210 nan 0.000 0.430 888 T N 3.205 117.789 114.554 0.050 0.000 2.809 888 T HA 0.315 4.666 4.350 0.002 0.000 0.284 888 T C -0.442 174.251 174.700 -0.011 0.000 0.992 888 T CA -0.616 61.475 62.100 -0.015 0.000 0.957 888 T CB 1.454 70.342 68.868 0.034 0.000 0.942 888 T HN 0.481 nan 8.240 nan 0.000 0.439 889 S N 2.753 118.371 115.700 -0.137 0.000 2.437 889 S HA 0.603 5.074 4.470 0.002 0.000 0.305 889 S C -1.428 173.072 174.600 -0.166 0.000 1.109 889 S CA -0.632 57.556 58.200 -0.020 0.000 1.099 889 S CB 0.187 63.447 63.200 0.100 0.000 1.004 889 S HN 0.570 nan 8.310 nan 0.000 0.475 890 Y N 3.401 123.733 120.300 0.053 0.000 2.345 890 Y HA 0.463 5.015 4.550 0.002 0.000 0.331 890 Y C -0.240 175.659 175.900 -0.002 0.000 0.959 890 Y CA -0.816 57.294 58.100 0.017 0.000 1.204 890 Y CB 1.631 40.077 38.460 -0.022 0.000 1.135 890 Y HN 0.362 nan 8.280 nan 0.000 0.477 891 V N 6.223 126.190 119.914 0.088 0.000 2.293 891 V HA 0.314 4.435 4.120 0.002 0.000 0.275 891 V C -0.382 175.507 176.094 -0.341 0.000 1.021 891 V CA -0.690 61.534 62.300 -0.126 0.000 0.815 891 V CB 0.667 32.377 31.823 -0.188 0.000 1.025 891 V HN 0.577 nan 8.190 nan 0.000 0.448 892 L N 5.043 126.110 121.223 -0.260 0.000 2.283 892 L HA 0.455 4.796 4.340 0.002 0.000 0.281 892 L C 0.680 177.226 176.870 -0.540 0.000 1.033 892 L CA -0.197 54.477 54.840 -0.277 0.000 0.848 892 L CB 0.598 42.600 42.059 -0.094 0.000 1.226 892 L HN 0.460 nan 8.230 nan 0.000 0.429 893 F N 0.390 120.044 119.950 -0.494 0.000 2.259 893 F HA 0.005 4.533 4.527 0.002 0.000 0.298 893 F C 1.302 176.723 175.800 -0.633 0.000 1.088 893 F CA 0.680 58.152 58.000 -0.880 0.000 1.358 893 F CB 0.305 38.935 39.000 -0.616 0.000 1.040 893 F HN 0.470 nan 8.300 nan 0.000 0.505 894 E N -1.465 118.618 120.200 -0.194 0.000 2.392 894 E HA 0.291 4.642 4.350 0.002 0.000 0.269 894 E C -0.628 175.911 176.600 -0.102 0.000 0.924 894 E CA -0.701 55.614 56.400 -0.141 0.000 0.784 894 E CB 1.493 31.136 29.700 -0.096 0.000 1.292 894 E HN -0.270 nan 8.360 nan 0.000 0.447 895 T N 4.065 118.573 114.554 -0.075 0.000 2.831 895 T HA 0.144 4.496 4.350 0.002 0.000 0.291 895 T C -2.196 172.479 174.700 -0.041 0.000 0.981 895 T CA -0.536 61.533 62.100 -0.052 0.000 1.174 895 T CB 0.156 69.001 68.868 -0.039 0.000 0.929 895 T HN 0.178 nan 8.240 nan 0.000 0.532 896 P HA 0.112 nan 4.420 nan 0.000 0.256 896 P C -0.147 177.146 177.300 -0.012 0.000 1.689 896 P CA -0.602 62.486 63.100 -0.020 0.000 1.124 896 P CB 0.219 31.913 31.700 -0.010 0.000 1.766 897 Q N 1.836 121.628 119.800 -0.013 0.000 2.359 897 Q HA 0.372 4.713 4.340 0.002 0.000 0.249 897 Q C -0.362 175.637 176.000 -0.002 0.000 1.181 897 Q CA -0.072 55.726 55.803 -0.008 0.000 0.897 897 Q CB 0.109 28.841 28.738 -0.011 0.000 1.424 897 Q HN 0.349 nan 8.270 nan 0.000 0.478 898 S N 1.955 117.657 115.700 0.003 0.000 2.799 898 S HA -0.026 4.445 4.470 0.002 0.000 0.267 898 S C -1.354 173.255 174.600 0.016 0.000 0.736 898 S CA -0.943 57.263 58.200 0.010 0.000 1.070 898 S CB -0.005 63.202 63.200 0.012 0.000 1.339 898 S HN 0.636 nan 8.310 nan 0.000 0.507 899 L N 4.002 125.238 121.223 0.020 0.000 2.615 899 L HA 0.318 4.660 4.340 0.002 0.000 0.271 899 L C -0.034 176.862 176.870 0.043 0.000 1.183 899 L CA 0.796 55.653 54.840 0.028 0.000 0.933 899 L CB -0.484 41.592 42.059 0.029 0.000 1.199 899 L HN 0.583 nan 8.230 nan 0.000 0.487 900 L N 8.135 129.390 121.223 0.054 0.000 2.426 900 L HA 0.293 4.634 4.340 0.002 0.000 0.271 900 L C -1.625 175.322 176.870 0.128 0.000 1.169 900 L CA -1.565 53.337 54.840 0.103 0.000 0.836 900 L CB 0.210 42.343 42.059 0.124 0.000 1.112 900 L HN 0.578 nan 8.230 nan 0.000 0.465 901 P HA 0.231 nan 4.420 nan 0.000 0.274 901 P C 0.418 177.812 177.300 0.157 0.000 1.246 901 P CA 0.097 63.259 63.100 0.103 0.000 0.795 901 P CB 1.463 33.194 31.700 0.051 0.000 1.006 902 G N -0.610 108.257 108.800 0.111 0.000 2.699 902 G HA2 0.039 4.000 3.960 0.002 0.000 0.198 902 G HA3 0.039 4.000 3.960 0.002 0.000 0.198 902 G C 0.740 175.713 174.900 0.122 0.000 1.033 902 G CA 0.434 45.614 45.100 0.134 0.000 0.728 902 G HN 1.018 nan 8.290 nan 0.000 0.484 903 G N -0.297 108.574 108.800 0.119 0.000 2.308 903 G HA2 -0.186 3.775 3.960 0.002 0.000 0.221 903 G HA3 -0.186 3.775 3.960 0.002 0.000 0.221 903 G C 1.139 176.106 174.900 0.111 0.000 1.032 903 G CA 0.865 46.026 45.100 0.101 0.000 0.623 903 G HN 1.419 nan 8.290 nan 0.000 0.506 904 L N -0.070 121.219 121.223 0.109 0.000 2.435 904 L HA 0.595 4.937 4.340 0.002 0.000 0.195 904 L C 1.185 178.064 176.870 0.015 0.000 1.072 904 L CA 0.061 54.948 54.840 0.078 0.000 0.833 904 L CB 0.197 42.276 42.059 0.032 0.000 1.081 904 L HN 0.253 nan 8.230 nan 0.000 0.485 905 L N 1.015 122.221 121.223 -0.029 0.000 2.369 905 L HA 0.039 4.381 4.340 0.002 0.000 0.279 905 L C 0.615 177.440 176.870 -0.074 0.000 1.108 905 L CA 0.192 54.936 54.840 -0.161 0.000 0.852 905 L CB 1.062 42.802 42.059 -0.532 0.000 1.169 905 L HN 0.457 nan 8.230 nan 0.000 0.452 906 Q N 4.168 123.937 119.800 -0.052 0.000 2.388 906 Q HA 0.219 4.560 4.340 0.002 0.000 0.204 906 Q C 0.236 176.223 176.000 -0.022 0.000 0.946 906 Q CA 0.448 56.246 55.803 -0.007 0.000 0.880 906 Q CB 0.849 29.597 28.738 0.016 0.000 0.997 906 Q HN 0.615 nan 8.270 nan 0.000 0.552 907 R N -0.275 120.201 120.500 -0.041 0.000 2.836 907 R HA 0.563 4.905 4.340 0.002 0.000 0.269 907 R C -1.124 175.141 176.300 -0.059 0.000 1.010 907 R CA -0.299 55.778 56.100 -0.038 0.000 0.930 907 R CB 2.435 32.725 30.300 -0.016 0.000 1.218 907 R HN -0.077 nan 8.270 nan 0.000 0.473 908 T N -0.057 114.467 114.554 -0.050 0.000 2.912 908 T HA 0.081 4.432 4.350 0.002 0.000 0.299 908 T C -0.037 174.644 174.700 -0.032 0.000 1.052 908 T CA -0.528 61.540 62.100 -0.053 0.000 0.996 908 T CB 1.950 70.773 68.868 -0.076 0.000 1.070 908 T HN 0.527 nan 8.240 nan 0.000 0.465 909 D N 1.332 121.719 120.400 -0.022 0.000 2.097 909 D HA 0.006 4.647 4.640 0.002 0.000 0.197 909 D C 0.832 177.122 176.300 -0.018 0.000 0.984 909 D CA 1.440 55.432 54.000 -0.014 0.000 0.826 909 D CB 0.425 41.224 40.800 -0.003 0.000 0.973 909 D HN 0.539 nan 8.370 nan 0.000 0.460 910 T N -1.767 112.775 114.554 -0.020 0.000 2.889 910 T HA 0.381 4.732 4.350 0.002 0.000 0.315 910 T C -1.139 173.550 174.700 -0.019 0.000 1.291 910 T CA -0.424 61.665 62.100 -0.019 0.000 1.028 910 T CB 1.114 69.978 68.868 -0.008 0.000 1.235 910 T HN 0.046 nan 8.240 nan 0.000 0.491 911 S N 2.121 117.803 115.700 -0.031 0.000 2.702 911 S HA 0.369 4.840 4.470 0.002 0.000 0.314 911 S C 0.681 175.357 174.600 0.127 0.000 1.244 911 S CA 0.101 58.272 58.200 -0.048 0.000 1.058 911 S CB -1.889 61.212 63.200 -0.165 0.000 0.783 911 S HN 1.613 nan 8.310 nan 0.000 0.503 912 C N 2.175 121.563 119.300 0.147 0.000 3.272 912 C HA 0.771 5.232 4.460 0.002 0.000 0.363 912 C C -1.593 173.456 174.990 0.098 0.000 1.514 912 C CA -1.188 57.920 59.018 0.150 0.000 1.185 912 C CB -0.042 27.701 27.740 0.005 0.000 1.716 912 C HN 0.726 nan 8.230 nan 0.000 0.440 913 L N 1.670 122.885 121.223 -0.012 0.000 2.333 913 L HA 0.884 5.225 4.340 0.002 0.000 0.280 913 L C 0.196 177.037 176.870 -0.050 0.000 1.004 913 L CA -0.162 54.659 54.840 -0.031 0.000 0.820 913 L CB 1.487 43.492 42.059 -0.091 0.000 1.247 913 L HN 0.853 nan 8.230 nan 0.000 0.416 917 R N 2.919 123.441 120.500 0.037 0.000 2.437 917 R HA 0.629 4.970 4.340 0.002 0.000 0.310 917 R C -0.751 175.569 176.300 0.035 0.000 0.955 917 R CA -0.858 55.269 56.100 0.044 0.000 0.851 917 R CB 1.750 32.080 30.300 0.050 0.000 1.161 917 R HN 0.707 nan 8.270 nan 0.000 0.446 918 K N 2.944 123.372 120.400 0.047 0.000 2.281 918 K HA 0.064 4.386 4.320 0.002 0.000 0.272 918 K C 0.577 177.215 176.600 0.064 0.000 1.048 918 K CA -0.234 56.087 56.287 0.057 0.000 0.898 918 K CB 1.300 33.841 32.500 0.069 0.000 1.128 918 K HN 0.602 nan 8.250 nan 0.000 0.460 919 E N 1.773 122.014 120.200 0.068 0.000 2.076 919 E HA -0.079 4.273 4.350 0.002 0.000 0.190 919 E C -0.013 176.630 176.600 0.070 0.000 0.979 919 E CA 0.869 57.309 56.400 0.066 0.000 0.807 919 E CB 0.391 30.131 29.700 0.066 0.000 0.761 919 E HN 0.689 nan 8.360 nan 0.000 0.454 920 S N -2.591 113.161 115.700 0.088 0.000 2.757 920 S HA 0.519 4.990 4.470 0.002 0.000 0.285 920 S C 0.549 175.220 174.600 0.118 0.000 1.196 920 S CA -0.249 58.003 58.200 0.087 0.000 0.856 920 S CB 0.876 64.120 63.200 0.073 0.000 1.212 920 S HN 0.040 nan 8.310 nan 0.000 0.516 921 A N 0.022 122.904 122.820 0.103 0.000 2.178 921 A HA 0.065 4.387 4.320 0.002 0.000 0.218 921 A C 1.129 178.802 177.584 0.148 0.000 1.157 921 A CA 1.794 53.903 52.037 0.120 0.000 0.689 921 A CB -0.922 18.120 19.000 0.071 0.000 0.787 921 A HN 0.707 nan 8.150 nan 0.000 0.465 922 D N -1.010 119.473 120.400 0.139 0.000 2.431 922 D HA 0.141 4.782 4.640 0.002 0.000 0.227 922 D C 0.329 176.788 176.300 0.265 0.000 1.030 922 D CA 0.751 54.831 54.000 0.133 0.000 0.897 922 D CB 0.267 41.106 40.800 0.065 0.000 1.058 922 D HN 0.293 nan 8.370 nan 0.000 0.500 923 K N 0.790 121.328 120.400 0.229 0.000 2.323 923 K HA 0.600 4.921 4.320 0.002 0.000 0.259 923 K C -1.178 175.516 176.600 0.157 0.000 0.947 923 K CA -0.551 55.861 56.287 0.208 0.000 0.819 923 K CB 3.223 35.800 32.500 0.129 0.000 1.109 923 K HN -0.248 nan 8.250 nan 0.000 0.429 924 V N 3.647 123.619 119.914 0.097 0.000 2.709 924 V HA 0.336 4.457 4.120 0.002 0.000 0.308 924 V C -1.210 174.862 176.094 -0.036 0.000 1.062 924 V CA -1.017 61.263 62.300 -0.033 0.000 0.901 924 V CB 2.087 33.747 31.823 -0.272 0.000 1.003 924 V HN 0.561 nan 8.190 nan 0.000 0.425 925 L N 5.578 126.792 121.223 -0.015 0.000 2.280 925 L HA 0.580 4.922 4.340 0.002 0.000 0.287 925 L C -0.829 176.035 176.870 -0.010 0.000 1.023 925 L CA 0.192 55.036 54.840 0.007 0.000 0.819 925 L CB 0.952 43.030 42.059 0.032 0.000 1.212 925 L HN 0.620 nan 8.230 nan 0.000 0.420 926 L N 4.750 125.972 121.223 -0.002 0.000 2.307 926 L HA 0.606 4.947 4.340 0.002 0.000 0.284 926 L C -0.647 176.233 176.870 0.017 0.000 1.023 926 L CA -0.153 54.681 54.840 -0.011 0.000 0.810 926 L CB 1.806 43.864 42.059 -0.002 0.000 1.231 926 L HN 0.730 nan 8.230 nan 0.000 0.423 927 T N 3.938 118.462 114.554 -0.051 0.000 2.921 927 T HA 0.645 4.996 4.350 0.002 0.000 0.297 927 T C -1.231 173.348 174.700 -0.202 0.000 1.013 927 T CA -0.335 61.715 62.100 -0.083 0.000 0.990 927 T CB 1.375 70.231 68.868 -0.021 0.000 1.023 927 T HN 0.292 nan 8.240 nan 0.000 0.447 928 V N 3.114 122.831 119.914 -0.328 0.000 2.789 928 V HA 0.969 5.090 4.120 0.002 0.000 0.311 928 V C -0.141 175.844 176.094 -0.181 0.000 1.073 928 V CA -0.903 61.163 62.300 -0.389 0.000 0.921 928 V CB 1.642 32.947 31.823 -0.863 0.000 1.009 928 V HN 1.172 nan 8.190 nan 0.000 0.426 929 A N 2.914 125.657 122.820 -0.129 0.000 2.475 929 A HA 0.861 5.183 4.320 0.002 0.000 0.301 929 A C -1.155 176.373 177.584 -0.093 0.000 1.059 929 A CA -0.679 51.319 52.037 -0.066 0.000 0.710 929 A CB 2.089 21.038 19.000 -0.085 0.000 1.288 929 A HN 0.746 nan 8.150 nan 0.000 0.408 930 Q N 2.158 121.912 119.800 -0.076 0.000 2.413 930 Q HA 0.512 4.853 4.340 0.002 0.000 0.258 930 Q C -2.344 173.551 176.000 -0.174 0.000 1.037 930 Q CA -2.019 53.722 55.803 -0.102 0.000 0.764 930 Q CB 1.459 30.159 28.738 -0.063 0.000 1.217 930 Q HN 0.381 nan 8.270 nan 0.000 0.490 931 P HA -0.103 nan 4.420 nan 0.000 0.219 931 P C -0.345 176.793 177.300 -0.270 0.000 1.146 931 P CA 0.810 63.671 63.100 -0.399 0.000 0.808 931 P CB 0.201 31.417 31.700 -0.807 0.000 0.779 932 D N -0.148 120.145 120.400 -0.178 0.000 2.346 932 D HA -0.028 4.613 4.640 0.002 0.000 0.267 932 D C 1.119 177.321 176.300 -0.163 0.000 1.320 932 D CA 0.049 54.006 54.000 -0.071 0.000 0.951 932 D CB 0.030 40.823 40.800 -0.012 0.000 1.079 932 D HN -0.203 nan 8.370 nan 0.000 0.509 933 L N 4.425 125.485 121.223 -0.271 0.000 2.187 933 L HA -0.069 4.272 4.340 0.002 0.000 0.213 933 L C 1.698 178.251 176.870 -0.528 0.000 1.100 933 L CA 1.484 56.019 54.840 -0.508 0.000 0.765 933 L CB -0.932 40.678 42.059 -0.748 0.000 0.904 933 L HN 0.721 nan 8.230 nan 0.000 0.437 934 A N -1.633 120.860 122.820 -0.545 0.000 2.667 934 A HA -0.227 4.094 4.320 0.002 0.000 0.298 934 A C 1.372 178.728 177.584 -0.380 0.000 1.483 934 A CA 0.823 52.651 52.037 -0.348 0.000 0.738 934 A CB -2.004 16.886 19.000 -0.182 0.000 1.067 934 A HN 0.367 nan 8.150 nan 0.000 0.451 935 L N -1.593 119.247 121.223 -0.639 0.000 2.156 935 L HA 0.102 4.443 4.340 0.002 0.000 0.208 935 L C 1.178 178.039 176.870 -0.015 0.000 1.095 935 L CA 1.599 56.281 54.840 -0.263 0.000 0.770 935 L CB -0.336 41.608 42.059 -0.191 0.000 0.914 935 L HN 0.956 nan 8.230 nan 0.000 0.439 936 Y N -4.416 115.793 120.300 -0.152 0.000 2.576 936 Y HA 0.625 5.176 4.550 0.002 0.000 0.346 936 Y C 0.722 176.581 175.900 -0.069 0.000 1.018 936 Y CA -1.386 56.636 58.100 -0.129 0.000 1.050 936 Y CB 1.182 39.481 38.460 -0.270 0.000 1.280 936 Y HN -0.366 nan 8.280 nan 0.000 0.474 937 R N 1.371 121.923 120.500 0.086 0.000 2.146 937 R HA 0.348 4.690 4.340 0.002 0.000 0.206 937 R C 1.033 177.352 176.300 0.032 0.000 1.049 937 R CA 0.919 57.026 56.100 0.012 0.000 1.029 937 R CB -0.302 30.014 30.300 0.027 0.000 0.949 937 R HN 1.075 nan 8.270 nan 0.000 0.471 938 G N 0.433 109.309 108.800 0.126 0.000 2.485 938 G HA2 0.277 4.238 3.960 0.002 0.000 0.260 938 G HA3 0.277 4.238 3.960 0.002 0.000 0.260 938 G C -2.040 172.924 174.900 0.107 0.000 1.459 938 G CA -0.792 44.371 45.100 0.105 0.000 1.060 938 G HN 0.138 nan 8.290 nan 0.000 0.546 939 P HA 0.215 nan 4.420 nan 0.000 0.270 939 P C 0.120 177.527 177.300 0.179 0.000 1.223 939 P CA -0.367 62.793 63.100 0.100 0.000 0.785 939 P CB 0.609 32.362 31.700 0.089 0.000 0.923 940 S N 0.893 116.681 115.700 0.147 0.000 2.593 940 S HA -0.083 4.388 4.470 0.002 0.000 0.300 940 S C 0.213 174.895 174.600 0.137 0.000 1.267 940 S CA -0.177 58.136 58.200 0.190 0.000 1.065 940 S CB -0.618 62.641 63.200 0.098 0.000 0.807 940 S HN 0.409 nan 8.310 nan 0.000 0.499 941 D N 3.391 123.839 120.400 0.080 0.000 2.342 941 D HA 0.291 4.932 4.640 0.002 0.000 0.260 941 D C -0.228 176.061 176.300 -0.019 0.000 1.278 941 D CA 0.221 54.165 54.000 -0.094 0.000 0.910 941 D CB 0.326 40.940 40.800 -0.309 0.000 1.079 941 D HN 0.555 nan 8.370 nan 0.000 0.496 942 E N 1.312 121.416 120.200 -0.159 0.000 2.340 942 E HA 0.715 5.066 4.350 0.002 0.000 0.273 942 E C -1.481 174.818 176.600 -0.502 0.000 0.891 942 E CA -0.981 55.184 56.400 -0.391 0.000 0.757 942 E CB 1.930 31.184 29.700 -0.742 0.000 1.231 942 E HN 0.339 nan 8.360 nan 0.000 0.439 943 A N 3.577 126.141 122.820 -0.427 0.000 2.273 943 A HA 0.658 4.980 4.320 0.002 0.000 0.315 943 A C -1.166 176.232 177.584 -0.309 0.000 1.256 943 A CA -0.462 51.403 52.037 -0.286 0.000 0.851 943 A CB 0.016 18.957 19.000 -0.099 0.000 1.172 943 A HN 0.515 nan 8.150 nan 0.000 0.508 944 F N 1.109 121.076 119.950 0.029 0.000 2.399 944 F HA 0.315 4.843 4.527 0.002 0.000 0.328 944 F C 0.929 176.741 175.800 0.020 0.000 1.084 944 F CA -0.318 57.695 58.000 0.021 0.000 1.053 944 F CB 1.130 40.140 39.000 0.016 0.000 1.209 944 F HN 0.557 nan 8.300 nan 0.000 0.502 945 D N 0.834 121.384 120.400 0.249 0.000 2.433 945 D HA 0.046 4.687 4.640 0.002 0.000 0.255 945 D C 1.073 177.437 176.300 0.106 0.000 1.226 945 D CA -0.079 54.001 54.000 0.134 0.000 1.015 945 D CB 1.168 42.030 40.800 0.104 0.000 1.091 945 D HN 0.425 nan 8.370 nan 0.000 0.527 946 K N 0.282 120.722 120.400 0.066 0.000 2.147 946 K HA -0.117 4.204 4.320 0.002 0.000 0.205 946 K C 0.820 177.439 176.600 0.031 0.000 1.049 946 K CA 1.707 58.020 56.287 0.044 0.000 0.936 946 K CB 0.047 32.566 32.500 0.032 0.000 0.722 946 K HN 0.250 nan 8.250 nan 0.000 0.446 947 D N -1.268 119.153 120.400 0.035 0.000 2.354 947 D HA 0.130 4.771 4.640 0.002 0.000 0.209 947 D C 0.765 177.073 176.300 0.014 0.000 1.015 947 D CA 1.027 55.040 54.000 0.021 0.000 0.867 947 D CB 0.700 41.515 40.800 0.025 0.000 0.933 947 D HN 0.447 nan 8.370 nan 0.000 0.520 948 G N 1.217 110.039 108.800 0.037 0.000 2.148 948 G HA2 -0.233 3.728 3.960 0.002 0.000 0.203 948 G HA3 -0.233 3.728 3.960 0.002 0.000 0.203 948 G C 0.116 175.084 174.900 0.114 0.000 0.993 948 G CA -0.423 44.681 45.100 0.007 0.000 0.661 948 G HN 0.233 nan 8.290 nan 0.000 0.518 949 K N 0.659 121.146 120.400 0.144 0.000 2.144 949 K HA 0.579 4.901 4.320 0.002 0.000 0.270 949 K C 1.206 177.925 176.600 0.199 0.000 1.005 949 K CA -0.659 55.717 56.287 0.149 0.000 0.932 949 K CB 1.011 33.562 32.500 0.086 0.000 1.021 949 K HN 0.283 nan 8.250 nan 0.000 0.462 953 R N 1.772 122.275 120.500 0.006 0.000 2.575 953 R HA 0.352 4.694 4.340 0.002 0.000 0.293 953 R C -0.351 176.022 176.300 0.122 0.000 0.983 953 R CA -0.739 55.398 56.100 0.062 0.000 0.887 953 R CB 2.060 32.410 30.300 0.084 0.000 1.184 953 R HN 0.600 nan 8.270 nan 0.000 0.445 954 S N 2.077 117.851 115.700 0.123 0.000 2.568 954 S HA -0.004 4.467 4.470 0.002 0.000 0.282 954 S C 1.296 175.985 174.600 0.149 0.000 1.338 954 S CA -0.535 57.765 58.200 0.166 0.000 1.045 954 S CB 0.669 64.003 63.200 0.222 0.000 0.873 954 S HN 0.658 nan 8.310 nan 0.000 0.516 955 I N 2.896 123.519 120.570 0.088 0.000 2.335 955 I HA -0.109 4.062 4.170 0.002 0.000 0.251 955 I C 1.585 177.485 176.117 -0.361 0.000 1.129 955 I CA 1.443 62.627 61.300 -0.193 0.000 1.402 955 I CB -0.591 37.269 38.000 -0.233 0.000 1.069 955 I HN 0.838 nan 8.210 nan 0.000 0.424 956 Y N 0.064 120.303 120.300 -0.101 0.000 2.403 956 Y HA -0.209 4.342 4.550 0.002 0.000 0.291 956 Y C 2.742 178.409 175.900 -0.389 0.000 1.143 956 Y CA 1.172 59.191 58.100 -0.135 0.000 1.257 956 Y CB -0.925 37.549 38.460 0.023 0.000 0.984 956 Y HN 0.359 nan 8.280 nan 0.000 0.550 957 S N -0.468 115.013 115.700 -0.365 0.000 2.527 957 S HA 0.046 4.517 4.470 0.002 0.000 0.222 957 S C 0.714 174.895 174.600 -0.699 0.000 0.985 957 S CA -0.260 57.402 58.200 -0.897 0.000 0.921 957 S CB -0.038 62.899 63.200 -0.439 0.000 0.772 957 S HN 0.027 nan 8.310 nan 0.000 0.529 958 R N 2.644 122.791 120.500 -0.588 0.000 2.390 958 R HA 0.331 4.673 4.340 0.002 0.000 0.291 958 R C -1.968 173.920 176.300 -0.686 0.000 1.070 958 R CA -2.563 53.109 56.100 -0.713 0.000 1.014 958 R CB -0.492 29.091 30.300 -1.194 0.000 1.007 958 R HN 0.200 nan 8.270 nan 0.000 0.466 959 P HA -0.000 nan 4.420 nan 0.000 0.245 959 P C 0.450 177.686 177.300 -0.107 0.000 1.206 959 P CA 0.656 63.617 63.100 -0.231 0.000 0.781 959 P CB 0.145 31.793 31.700 -0.088 0.000 0.994 960 W N 0.743 122.030 121.300 -0.022 0.000 3.239 960 W HA 0.288 4.949 4.660 0.002 0.000 0.348 960 W C 1.172 177.729 176.519 0.064 0.000 1.183 960 W CA -0.380 56.993 57.345 0.045 0.000 1.819 960 W CB -1.104 28.427 29.460 0.117 0.000 1.091 960 W HN -0.137 nan 8.180 nan 0.000 0.629 961 I N -0.662 119.830 120.570 -0.131 0.000 2.916 961 I HA -0.087 4.084 4.170 0.002 0.000 0.267 961 I C 0.619 176.781 176.117 0.075 0.000 1.263 961 I CA 1.405 62.658 61.300 -0.079 0.000 1.471 961 I CB -0.378 37.446 38.000 -0.293 0.000 1.089 961 I HN -0.269 nan 8.210 nan 0.000 0.468 962 D N 0.560 121.006 120.400 0.076 0.000 2.431 962 D HA 0.135 4.777 4.640 0.002 0.000 0.213 962 D C -0.128 176.217 176.300 0.076 0.000 1.130 962 D CA -0.031 54.002 54.000 0.055 0.000 0.834 962 D CB -0.061 40.754 40.800 0.024 0.000 0.985 962 D HN 0.287 nan 8.370 nan 0.000 0.504 963 N N 2.039 120.824 118.700 0.141 0.000 2.492 963 N HA 0.003 4.745 4.740 0.002 0.000 0.260 963 N C 0.495 176.048 175.510 0.072 0.000 1.215 963 N CA 0.196 53.320 53.050 0.123 0.000 0.923 963 N CB 0.817 39.417 38.487 0.188 0.000 1.092 963 N HN 0.004 nan 8.380 nan 0.000 0.448 964 E N 0.161 120.388 120.200 0.045 0.000 2.414 964 E HA -0.069 4.283 4.350 0.002 0.000 0.263 964 E C -0.027 176.580 176.600 0.012 0.000 1.000 964 E CA 0.183 56.599 56.400 0.026 0.000 0.914 964 E CB 0.484 30.197 29.700 0.021 0.000 0.948 964 E HN 0.390 nan 8.360 nan 0.000 0.444 965 S N 1.829 117.538 115.700 0.015 0.000 2.544 965 S HA 0.134 4.606 4.470 0.002 0.000 0.290 965 S C 0.386 174.956 174.600 -0.051 0.000 1.276 965 S CA -0.150 58.020 58.200 -0.049 0.000 1.075 965 S CB 0.167 63.351 63.200 -0.028 0.000 0.849 965 S HN 0.509 nan 8.310 nan 0.000 0.494 966 G N 3.556 112.304 108.800 -0.087 0.000 2.432 966 G HA2 0.236 4.197 3.960 0.002 0.000 0.257 966 G HA3 0.236 4.197 3.960 0.002 0.000 0.257 966 G C -0.340 174.527 174.900 -0.055 0.000 1.238 966 G CA -0.547 44.518 45.100 -0.059 0.000 0.838 966 G HN 0.822 nan 8.290 nan 0.000 0.547 967 E N 1.202 121.382 120.200 -0.034 0.000 2.290 967 E HA 0.201 4.552 4.350 0.002 0.000 0.277 967 E C -0.361 176.214 176.600 -0.042 0.000 1.035 967 E CA -0.098 56.281 56.400 -0.036 0.000 0.873 967 E CB 0.528 30.213 29.700 -0.024 0.000 1.029 967 E HN 0.281 nan 8.360 nan 0.000 0.419 968 I N 7.094 127.633 120.570 -0.052 0.000 2.382 968 I HA 0.260 4.431 4.170 0.002 0.000 0.286 968 I C -2.285 173.807 176.117 -0.042 0.000 1.002 968 I CA -2.529 58.745 61.300 -0.044 0.000 1.135 968 I CB 1.834 39.807 38.000 -0.044 0.000 1.288 968 I HN 0.312 nan 8.210 nan 0.000 0.448 969 P HA 0.165 nan 4.420 nan 0.000 0.276 969 P C -0.848 176.453 177.300 0.001 0.000 1.243 969 P CA -0.167 62.924 63.100 -0.016 0.000 0.768 969 P CB 0.895 32.586 31.700 -0.015 0.000 0.856 970 V N 4.208 124.142 119.914 0.033 0.000 2.407 970 V HA 0.328 4.450 4.120 0.002 0.000 0.291 970 V C 0.018 176.177 176.094 0.107 0.000 1.018 970 V CA -0.299 62.028 62.300 0.046 0.000 0.842 970 V CB 1.868 33.699 31.823 0.014 0.000 0.996 970 V HN 0.449 nan 8.190 nan 0.000 0.426 971 T N 4.719 119.310 114.554 0.062 0.000 2.758 971 T HA 0.576 4.927 4.350 0.002 0.000 0.285 971 T C -0.183 174.549 174.700 0.054 0.000 0.981 971 T CA -0.436 61.705 62.100 0.068 0.000 0.965 971 T CB 1.465 70.348 68.868 0.025 0.000 0.927 971 T HN 0.657 nan 8.240 nan 0.000 0.448 972 V N 1.253 121.221 119.914 0.090 0.000 2.581 972 V HA 0.794 4.915 4.120 0.002 0.000 0.303 972 V C -0.129 175.977 176.094 0.019 0.000 1.041 972 V CA -0.668 61.651 62.300 0.032 0.000 0.907 972 V CB 1.661 33.501 31.823 0.029 0.000 0.994 972 V HN 0.782 nan 8.190 nan 0.000 0.442 973 T N 6.580 121.126 114.554 -0.014 0.000 2.758 973 T HA 0.718 5.070 4.350 0.002 0.000 0.285 973 T C -0.385 174.312 174.700 -0.007 0.000 0.981 973 T CA -0.200 61.901 62.100 0.001 0.000 0.965 973 T CB 0.794 69.664 68.868 0.002 0.000 0.927 973 T HN 0.653 nan 8.240 nan 0.000 0.448 974 L N 2.573 123.812 121.223 0.028 0.000 2.362 974 L HA 0.568 4.909 4.340 0.002 0.000 0.271 974 L C 0.251 177.212 176.870 0.152 0.000 1.002 974 L CA -1.145 53.718 54.840 0.040 0.000 0.818 974 L CB 1.939 43.972 42.059 -0.043 0.000 1.298 974 L HN 0.405 nan 8.230 nan 0.000 0.420 975 K N 1.954 122.463 120.400 0.182 0.000 2.322 975 K HA 0.515 4.836 4.320 0.002 0.000 0.283 975 K C 0.268 177.080 176.600 0.352 0.000 1.042 975 K CA 0.716 57.130 56.287 0.212 0.000 0.958 975 K CB 0.625 33.224 32.500 0.164 0.000 0.984 975 K HN 0.832 nan 8.250 nan 0.000 0.473 976 G N 2.906 111.819 108.800 0.189 0.000 2.756 976 G HA2 -0.230 3.732 3.960 0.002 0.000 0.678 976 G HA3 -0.230 3.732 3.960 0.002 0.000 0.678 976 G C -1.152 173.721 174.900 -0.046 0.000 1.349 976 G CA -0.854 44.266 45.100 0.034 0.000 0.847 976 G HN 0.702 nan 8.290 nan 0.000 0.548 977 R N -0.762 119.575 120.500 -0.271 0.000 2.298 977 R HA 0.509 4.850 4.340 0.002 0.000 0.310 977 R C -0.697 175.300 176.300 -0.504 0.000 1.068 977 R CA 0.085 56.041 56.100 -0.239 0.000 0.957 977 R CB 0.640 30.827 30.300 -0.189 0.000 1.003 977 R HN 0.484 nan 8.270 nan 0.000 0.454 978 W N 2.320 123.623 121.300 0.005 0.000 2.998 978 W HA 0.366 5.027 4.660 0.002 0.000 0.335 978 W C -0.210 176.308 176.519 -0.000 0.000 1.110 978 W CA -0.782 56.568 57.345 0.008 0.000 1.230 978 W CB 1.456 30.925 29.460 0.016 0.000 1.405 978 W HN 0.106 nan 8.180 nan 0.000 0.493 979 K N 2.805 123.347 120.400 0.236 0.000 2.206 979 K HA 0.695 5.016 4.320 0.002 0.000 0.264 979 K C -1.510 175.170 176.600 0.132 0.000 0.967 979 K CA -0.532 55.833 56.287 0.130 0.000 0.844 979 K CB 1.987 34.530 32.500 0.072 0.000 1.099 979 K HN 0.506 nan 8.250 nan 0.000 0.441 980 V N 4.275 124.232 119.914 0.072 0.000 2.876 980 V HA 0.360 4.481 4.120 0.002 0.000 0.312 980 V C -0.965 175.127 176.094 -0.004 0.000 1.085 980 V CA -0.858 61.465 62.300 0.037 0.000 0.945 980 V CB 2.366 34.194 31.823 0.008 0.000 1.017 980 V HN 0.495 nan 8.190 nan 0.000 0.428 981 V N 5.713 125.620 119.914 -0.012 0.000 2.408 981 V HA 0.304 4.425 4.120 0.002 0.000 0.267 981 V C 0.504 176.545 176.094 -0.089 0.000 1.047 981 V CA -0.308 61.971 62.300 -0.036 0.000 0.937 981 V CB 0.900 32.712 31.823 -0.018 0.000 0.999 981 V HN 0.886 nan 8.190 nan 0.000 0.472 982 E N 3.152 123.289 120.200 -0.104 0.000 2.384 982 E HA 0.309 4.660 4.350 0.002 0.000 0.266 982 E C 0.246 176.723 176.600 -0.206 0.000 1.012 982 E CA 0.038 56.342 56.400 -0.161 0.000 0.901 982 E CB 1.045 30.669 29.700 -0.128 0.000 0.967 982 E HN 0.875 nan 8.360 nan 0.000 0.435 983 T N -0.372 113.980 114.554 -0.337 0.000 2.907 983 T HA 0.337 4.688 4.350 0.002 0.000 0.290 983 T C -2.222 172.250 174.700 -0.379 0.000 1.066 983 T CA -1.979 59.856 62.100 -0.442 0.000 1.012 983 T CB 1.562 69.853 68.868 -0.961 0.000 1.184 983 T HN 0.046 nan 8.240 nan 0.000 0.522 984 P HA -0.019 nan 4.420 nan 0.000 0.221 984 P C 0.703 177.970 177.300 -0.056 0.000 1.145 984 P CA 0.943 63.990 63.100 -0.088 0.000 0.795 984 P CB -0.318 31.402 31.700 0.033 0.000 0.775 985 Y N -4.152 116.130 120.300 -0.030 0.000 2.444 985 Y HA 0.479 5.030 4.550 0.002 0.000 0.249 985 Y C 0.436 176.228 175.900 -0.180 0.000 1.134 985 Y CA -0.904 57.148 58.100 -0.080 0.000 1.261 985 Y CB -0.451 38.020 38.460 0.018 0.000 1.143 985 Y HN -0.164 nan 8.280 nan 0.000 0.523 986 C N 2.694 121.727 119.300 -0.445 0.000 2.481 986 C HA 0.651 5.112 4.460 0.002 0.000 0.324 986 C C -1.106 173.638 174.990 -0.409 0.000 1.170 986 C CA -0.868 57.828 59.018 -0.536 0.000 1.361 986 C CB 0.714 28.062 27.740 -0.654 0.000 1.977 986 C HN 0.504 nan 8.230 nan 0.000 0.459 987 K N 4.704 124.893 120.400 -0.351 0.000 2.468 987 K HA 0.633 4.954 4.320 0.002 0.000 0.252 987 K C -1.236 175.248 176.600 -0.193 0.000 0.932 987 K CA -0.494 55.658 56.287 -0.225 0.000 0.794 987 K CB 2.080 34.484 32.500 -0.161 0.000 1.241 987 K HN 0.580 nan 8.250 nan 0.000 0.428 988 V N 5.652 125.486 119.914 -0.134 0.000 2.508 988 V HA 0.095 4.216 4.120 0.002 0.000 0.281 988 V C 0.360 176.416 176.094 -0.062 0.000 1.041 988 V CA 0.224 62.474 62.300 -0.085 0.000 1.016 988 V CB 1.144 32.939 31.823 -0.047 0.000 0.984 988 V HN 0.753 nan 8.190 nan 0.000 0.478 989 V N 5.183 125.068 119.914 -0.048 0.000 2.627 989 V HA 0.244 4.365 4.120 0.002 0.000 0.239 989 V C 0.951 177.034 176.094 -0.019 0.000 1.077 989 V CA 1.285 63.564 62.300 -0.036 0.000 1.103 989 V CB 0.659 32.462 31.823 -0.033 0.000 0.802 989 V HN 0.826 nan 8.190 nan 0.000 0.482 990 S N -0.734 114.961 115.700 -0.008 0.000 2.548 990 S HA 0.652 5.124 4.470 0.002 0.000 0.286 990 S C -1.221 173.386 174.600 0.012 0.000 1.098 990 S CA -0.500 57.700 58.200 0.001 0.000 0.930 990 S CB 1.956 65.158 63.200 0.003 0.000 1.070 990 S HN 0.476 nan 8.310 nan 0.000 0.480 991 E N 1.697 121.904 120.200 0.012 0.000 2.321 991 E HA 0.453 4.804 4.350 0.002 0.000 0.281 991 E C -1.922 174.685 176.600 0.012 0.000 0.910 991 E CA -0.505 55.907 56.400 0.019 0.000 0.770 991 E CB 1.151 30.861 29.700 0.016 0.000 1.225 991 E HN 0.750 nan 8.360 nan 0.000 0.417 992 D N 2.174 122.583 120.400 0.015 0.000 2.895 992 D HA 0.205 4.847 4.640 0.002 0.000 0.320 992 D C 0.317 176.617 176.300 0.000 0.000 1.249 992 D CA -0.591 53.412 54.000 0.006 0.000 0.997 992 D CB 0.388 41.192 40.800 0.006 0.000 1.430 992 D HN 0.282 nan 8.370 nan 0.000 0.558 993 K N -0.562 119.835 120.400 -0.006 0.000 2.211 993 K HA 0.026 4.347 4.320 0.002 0.000 0.203 993 K C 1.515 178.108 176.600 -0.012 0.000 1.050 993 K CA 1.015 57.292 56.287 -0.017 0.000 0.945 993 K CB 0.132 32.621 32.500 -0.017 0.000 0.732 993 K HN 0.250 nan 8.250 nan 0.000 0.451 994 K N -0.355 120.049 120.400 0.006 0.000 2.276 994 K HA 0.061 4.382 4.320 0.002 0.000 0.198 994 K C 0.448 177.075 176.600 0.046 0.000 1.052 994 K CA 0.491 56.790 56.287 0.020 0.000 0.984 994 K CB 0.571 33.083 32.500 0.020 0.000 0.836 994 K HN -0.000 nan 8.250 nan 0.000 0.490 995 Q N -0.074 119.757 119.800 0.051 0.000 2.484 995 Q HA 0.369 4.710 4.340 0.002 0.000 0.285 995 Q C -1.029 175.030 176.000 0.098 0.000 1.097 995 Q CA -0.447 55.404 55.803 0.081 0.000 0.802 995 Q CB 2.339 31.111 28.738 0.056 0.000 1.444 995 Q HN -0.157 nan 8.270 nan 0.000 0.429 996 T N 0.618 115.253 114.554 0.135 0.000 3.031 996 T HA 0.421 4.772 4.350 0.002 0.000 0.305 996 T C -0.593 174.159 174.700 0.087 0.000 0.985 996 T CA -0.627 61.552 62.100 0.133 0.000 1.008 996 T CB 1.226 70.243 68.868 0.247 0.000 1.005 996 T HN 0.464 nan 8.240 nan 0.000 0.444 997 V N 3.677 123.621 119.914 0.049 0.000 2.513 997 V HA 0.866 4.987 4.120 0.002 0.000 0.299 997 V C -1.094 175.002 176.094 0.005 0.000 1.035 997 V CA -0.791 61.526 62.300 0.028 0.000 0.889 997 V CB 1.108 32.942 31.823 0.018 0.000 0.988 997 V HN 0.783 nan 8.190 nan 0.000 0.440 998 L N 4.756 125.982 121.223 0.004 0.000 2.354 998 L HA 0.706 5.047 4.340 0.002 0.000 0.269 998 L C -0.154 176.678 176.870 -0.064 0.000 1.005 998 L CA -0.889 53.906 54.840 -0.075 0.000 0.819 998 L CB 2.209 44.192 42.059 -0.127 0.000 1.311 998 L HN 0.744 nan 8.230 nan 0.000 0.423 999 R N 1.494 121.894 120.500 -0.166 0.000 2.310 999 R HA 0.546 4.887 4.340 0.002 0.000 0.324 999 R C -1.588 174.580 176.300 -0.220 0.000 0.955 999 R CA -0.361 55.679 56.100 -0.099 0.000 0.830 999 R CB 0.803 31.058 30.300 -0.075 0.000 1.154 999 R HN 0.382 nan 8.270 nan 0.000 0.458 1000 F N 4.935 124.846 119.950 -0.065 0.000 2.408 1000 F HA 0.333 4.861 4.527 0.002 0.000 0.344 1000 F C 0.090 175.790 175.800 -0.167 0.000 1.112 1000 F CA -0.724 57.218 58.000 -0.097 0.000 1.096 1000 F CB 1.336 40.280 39.000 -0.093 0.000 1.129 1000 F HN 0.239 nan 8.300 nan 0.000 0.486 1001 L N 4.575 125.752 121.223 -0.076 0.000 2.288 1001 L HA 0.329 4.671 4.340 0.002 0.000 0.283 1001 L C -0.799 175.846 176.870 -0.374 0.000 1.072 1001 L CA -0.338 54.414 54.840 -0.147 0.000 0.862 1001 L CB 0.107 42.117 42.059 -0.082 0.000 1.245 1001 L HN 0.659 nan 8.230 nan 0.000 0.432 1002 C N 3.151 122.273 119.300 -0.296 0.000 2.365 1002 C HA 0.591 5.053 4.460 0.002 0.000 0.351 1002 C C 0.500 175.444 174.990 -0.077 0.000 1.240 1002 C CA -0.698 58.128 59.018 -0.319 0.000 2.062 1002 C CB 1.069 28.725 27.740 -0.139 0.000 2.387 1002 C HN 0.714 nan 8.230 nan 0.000 0.537 1003 K N 0.758 121.223 120.400 0.108 0.000 2.533 1003 K HA 0.271 4.592 4.320 0.002 0.000 0.272 1003 K C -0.532 176.102 176.600 0.058 0.000 0.985 1003 K CA -0.557 55.776 56.287 0.078 0.000 0.876 1003 K CB 1.497 34.062 32.500 0.109 0.000 1.452 1003 K HN 0.740 nan 8.250 nan 0.000 0.439 1004 D N 0.127 120.490 120.400 -0.061 0.000 3.070 1004 D HA -0.199 4.443 4.640 0.002 0.000 0.220 1004 D C 0.559 176.669 176.300 -0.318 0.000 1.176 1004 D CA 1.704 55.593 54.000 -0.186 0.000 0.924 1004 D CB -0.944 39.880 40.800 0.041 0.000 1.124 1004 D HN 1.050 nan 8.370 nan 0.000 0.411 1005 G N -0.163 108.506 108.800 -0.218 0.000 2.203 1005 G HA2 -0.152 3.809 3.960 0.002 0.000 0.263 1005 G HA3 -0.152 3.809 3.960 0.002 0.000 0.263 1005 G C 0.516 175.329 174.900 -0.144 0.000 1.012 1005 G CA 1.183 46.163 45.100 -0.199 0.000 0.749 1005 G HN 1.082 nan 8.290 nan 0.000 0.512 1006 A N -0.482 122.274 122.820 -0.107 0.000 2.313 1006 A HA 0.770 5.091 4.320 0.002 0.000 0.261 1006 A C 0.779 178.223 177.584 -0.233 0.000 1.090 1006 A CA 0.629 52.535 52.037 -0.218 0.000 0.807 1006 A CB 0.662 19.434 19.000 -0.380 0.000 1.055 1006 A HN 1.001 nan 8.150 nan 0.000 0.492 1007 S N 0.120 115.623 115.700 -0.328 0.000 2.429 1007 S HA 0.519 4.991 4.470 0.002 0.000 0.302 1007 S C -1.380 172.982 174.600 -0.397 0.000 1.115 1007 S CA 0.015 58.075 58.200 -0.234 0.000 1.095 1007 S CB 0.127 63.237 63.200 -0.150 0.000 0.987 1007 S HN 0.427 nan 8.310 nan 0.000 0.474 1008 Y N 2.317 122.523 120.300 -0.156 0.000 2.331 1008 Y HA 0.438 4.989 4.550 0.002 0.000 0.338 1008 Y C 0.627 176.539 175.900 0.020 0.000 0.992 1008 Y CA -0.892 57.125 58.100 -0.139 0.000 1.121 1008 Y CB 1.071 39.502 38.460 -0.047 0.000 1.184 1008 Y HN 0.639 nan 8.280 nan 0.000 0.469 1009 E N 1.986 122.328 120.200 0.237 0.000 2.317 1009 E HA 0.786 5.137 4.350 0.002 0.000 0.270 1009 E C -1.692 175.119 176.600 0.350 0.000 0.885 1009 E CA -1.257 55.294 56.400 0.253 0.000 0.760 1009 E CB 2.473 32.235 29.700 0.103 0.000 1.227 1009 E HN 0.374 nan 8.360 nan 0.000 0.434 1010 V N -1.047 119.045 119.914 0.298 0.000 2.962 1010 V HA 0.601 4.722 4.120 0.002 0.000 0.313 1010 V C -0.728 175.441 176.094 0.124 0.000 1.099 1010 V CA -1.111 61.317 62.300 0.214 0.000 0.971 1010 V CB 1.671 33.609 31.823 0.192 0.000 1.028 1010 V HN 0.828 nan 8.190 nan 0.000 0.430 1011 E N 2.000 122.255 120.200 0.092 0.000 2.174 1011 E HA 0.638 4.989 4.350 0.002 0.000 0.282 1011 E C -1.294 175.350 176.600 0.073 0.000 0.992 1011 E CA -0.344 56.099 56.400 0.072 0.000 0.803 1011 E CB 1.401 31.143 29.700 0.070 0.000 1.090 1011 E HN 0.680 nan 8.360 nan 0.000 0.396 1012 L N 3.592 124.854 121.223 0.064 0.000 2.325 1012 L HA 0.502 4.843 4.340 0.002 0.000 0.278 1012 L C -0.386 176.652 176.870 0.280 0.000 1.023 1012 L CA -0.282 54.631 54.840 0.121 0.000 0.811 1012 L CB 1.613 43.606 42.059 -0.110 0.000 1.249 1012 L HN 0.606 nan 8.230 nan 0.000 0.431 1013 E N 2.402 122.838 120.200 0.393 0.000 2.275 1013 E HA 0.295 4.647 4.350 0.002 0.000 0.270 1013 E C -1.043 175.716 176.600 0.265 0.000 0.882 1013 E CA -0.685 55.916 56.400 0.335 0.000 0.758 1013 E CB 2.165 31.961 29.700 0.161 0.000 1.195 1013 E HN 0.496 nan 8.360 nan 0.000 0.419 1014 K N 0.000 120.406 120.400 0.009 0.000 2.780 1014 K HA 0.000 4.321 4.320 0.002 0.000 0.191 1014 K CA 0.000 56.013 56.287 -0.457 0.000 0.838 1014 K CB 0.000 32.111 32.500 -0.648 0.000 1.064 1014 K HN 0.000 nan 8.250 nan 0.000 0.543