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 3a0o_1_A DATA FIRST_RESID 11 DATA SEQUENCE QTLLDEPRPG SLTIGYEPSE EAQPTENPPR FSWLPDIDDG ARYVLRISTD DATA SEQUENCE PGFTDKKTLV FEDLAWNFFT PDEALPDGHY HWCYALWDQK SATAHSNWST DATA SEQUENCE VRSFEISEAL PKTPLPGRSA RHAAAQTSHP RLWLNSEQLS AFADAVAKDP DATA SEQUENCE NHCGWAEFYE KSVEPWLERP VMPEPQPYPN NTRVATLWRQ MYIDCQEVIY DATA SEQUENCE AIRHLAIAGR VLGRDDLLDA SRKWLLAVAA WDTKGATSRA YNDEAGFRVV DATA SEQUENCE VALAWGYDWL YDHLSEDERR TVRSVLLERT REVADHVIAH ARIHVFPYDS DATA SEQUENCE HAVRSLSAVL TPACIALQGE SDEAGEWLDY TVEFLATLYS PWAGTDGGWA DATA SEQUENCE EGPHYWMTGM AYLIEAANLI RSYIGYDLYQ RPFFQNTGRF PLYTKAPGTR DATA SEQUENCE RANFGDDSTL GDLPGLKLGY NVRQFAGVTG NGHYQWYFDH IKADATGTEM DATA SEQUENCE AFYNYGWWDL NFDDLVYRHD YPQVEAVSPA DLPALAVFDD IGWATIQKDM DATA SEQUENCE EDPDRHLQFV FKSSPYGSLS HSHGDQNAFV LYAHGEDLAI QSGYYVAFNS DATA SEQUENCE QMHLNWRRQT RSKNAVLIGG KGQYAEKDKA LARRAAGRIV SVEEQPGHVR DATA SEQUENCE IVGDATAAYQ VANPLVQKVL RETHFVNDSY FVIVDEVECS EPQELQWLCH DATA SEQUENCE TLGAPQTGRS SFRYNGRKAG FYGQFVYSSG GTPQISAVEG FPDIDPKEFE DATA SEQUENCE GLDIHHHVCA TVPAATRHRL VTLLVPYSLK EPKRIFSFID DQGFSTDIYF DATA SEQUENCE SDVDDERFKL SLPK 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 11 Q HA 0.000 nan 4.340 nan 0.000 0.214 11 Q C 0.000 175.998 176.000 -0.004 0.000 1.003 11 Q CA 0.000 55.795 55.803 -0.014 0.000 1.022 11 Q CB 0.000 28.720 28.738 -0.030 0.000 1.108 12 T N 2.134 116.702 114.554 0.023 0.000 2.916 12 T HA 0.188 2.070 4.350 -4.114 0.000 0.303 12 T C -0.079 174.613 174.700 -0.013 0.000 1.025 12 T CA -0.179 61.940 62.100 0.032 0.000 1.142 12 T CB 0.192 69.127 68.868 0.111 0.000 0.947 12 T HN 0.321 nan 8.240 nan 0.000 0.544 13 L N 4.948 126.170 121.223 -0.002 0.000 2.261 13 L HA 0.414 2.285 4.340 -4.114 0.000 0.289 13 L C -0.299 176.571 176.870 -0.001 0.000 1.059 13 L CA -0.771 54.061 54.840 -0.012 0.000 0.816 13 L CB 0.164 42.223 42.059 -0.000 0.000 1.191 13 L HN 0.563 nan 8.230 nan 0.000 0.431 14 L N 4.843 126.048 121.223 -0.030 0.000 2.559 14 L HA 0.115 1.987 4.340 -4.114 0.000 0.274 14 L C -0.190 176.714 176.870 0.057 0.000 1.205 14 L CA 0.573 55.417 54.840 0.007 0.000 0.907 14 L CB 0.129 42.149 42.059 -0.064 0.000 1.153 14 L HN 0.725 nan 8.230 nan 0.000 0.490 15 D N 3.872 124.345 120.400 0.122 0.000 2.277 15 D HA 0.194 2.366 4.640 -4.114 0.000 0.249 15 D C -0.792 175.642 176.300 0.223 0.000 1.134 15 D CA 0.006 54.093 54.000 0.145 0.000 0.863 15 D CB 0.629 41.518 40.800 0.148 0.000 1.143 15 D HN 0.606 nan 8.370 nan 0.000 0.458 16 E N 4.866 125.184 120.200 0.197 0.000 2.376 16 E HA 0.262 2.144 4.350 -4.114 0.000 0.236 16 E C -2.020 174.756 176.600 0.294 0.000 0.962 16 E CA -1.714 54.861 56.400 0.292 0.000 0.768 16 E CB 0.894 30.674 29.700 0.133 0.000 1.236 16 E HN 0.428 nan 8.360 nan 0.000 0.431 17 P HA 0.076 nan 4.420 nan 0.000 0.272 17 P C -0.284 177.187 177.300 0.285 0.000 1.223 17 P CA -0.334 62.911 63.100 0.241 0.000 0.784 17 P CB 0.826 32.637 31.700 0.184 0.000 0.923 18 R N 2.030 122.641 120.500 0.186 0.000 2.537 18 R HA 0.232 2.104 4.340 -4.114 0.000 0.280 18 R C -1.751 174.626 176.300 0.128 0.000 1.058 18 R CA -1.047 55.156 56.100 0.170 0.000 1.057 18 R CB -0.713 29.648 30.300 0.101 0.000 0.973 18 R HN 0.440 nan 8.270 nan 0.000 0.438 19 P HA 0.132 nan 4.420 nan 0.000 0.272 19 P C -0.273 177.023 177.300 -0.007 0.000 1.240 19 P CA -0.295 62.813 63.100 0.014 0.000 0.791 19 P CB 0.882 32.599 31.700 0.028 0.000 0.978 20 G N -0.791 107.975 108.800 -0.056 0.000 3.108 20 G HA2 0.331 1.822 3.960 -4.114 0.000 0.268 20 G HA3 0.331 1.822 3.960 -4.114 0.000 0.268 20 G C 0.700 175.550 174.900 -0.084 0.000 1.361 20 G CA -0.444 44.627 45.100 -0.048 0.000 1.047 20 G HN 0.315 nan 8.290 nan 0.000 0.540 21 S N -0.981 114.662 115.700 -0.095 0.000 2.419 21 S HA -0.017 1.984 4.470 -4.114 0.000 0.233 21 S C 1.630 176.040 174.600 -0.317 0.000 1.016 21 S CA 0.883 58.983 58.200 -0.166 0.000 0.974 21 S CB -0.209 62.907 63.200 -0.140 0.000 0.786 21 S HN 0.300 nan 8.310 nan 0.000 0.492 22 L N 1.243 122.323 121.223 -0.238 0.000 3.122 22 L HA 0.222 2.093 4.340 -4.114 0.000 0.274 22 L C 0.588 177.433 176.870 -0.042 0.000 1.222 22 L CA -0.244 54.406 54.840 -0.317 0.000 1.028 22 L CB 0.487 42.473 42.059 -0.121 0.000 1.386 22 L HN 0.222 nan 8.230 nan 0.000 0.578 23 T N -2.278 112.191 114.554 -0.141 0.000 2.948 23 T HA 0.580 2.461 4.350 -4.114 0.000 0.285 23 T C 0.473 175.091 174.700 -0.136 0.000 1.019 23 T CA -0.786 61.138 62.100 -0.294 0.000 1.013 23 T CB 1.648 70.253 68.868 -0.439 0.000 1.117 23 T HN 0.135 nan 8.240 nan 0.000 0.533 24 I N -0.553 119.872 120.570 -0.243 0.000 3.161 24 I HA 0.561 2.263 4.170 -4.114 0.000 0.284 24 I C 0.718 176.702 176.117 -0.222 0.000 1.252 24 I CA -0.666 60.487 61.300 -0.245 0.000 1.374 24 I CB -0.337 37.486 38.000 -0.296 0.000 1.359 24 I HN 0.826 nan 8.210 nan 0.000 0.606 25 G N 2.220 110.912 108.800 -0.180 0.000 2.820 25 G HA2 0.529 2.020 3.960 -4.114 0.000 0.291 25 G HA3 0.529 2.020 3.960 -4.114 0.000 0.291 25 G C -1.614 173.218 174.900 -0.113 0.000 1.323 25 G CA -0.832 44.197 45.100 -0.117 0.000 1.055 25 G HN 0.614 nan 8.290 nan 0.000 0.520 26 Y N 0.828 121.222 120.300 0.157 0.000 2.504 26 Y HA 0.386 2.469 4.550 -4.112 0.000 0.351 26 Y C 0.747 176.844 175.900 0.327 0.000 0.988 26 Y CA 0.066 58.360 58.100 0.323 0.000 1.239 26 Y CB 0.595 39.251 38.460 0.326 0.000 1.128 26 Y HN 0.320 nan 8.280 nan 0.000 0.525 27 E N 5.475 125.924 120.200 0.415 0.000 2.343 27 E HA 0.375 2.256 4.350 -4.114 0.000 0.270 27 E C -2.731 173.797 176.600 -0.120 0.000 0.895 27 E CA -2.518 53.978 56.400 0.159 0.000 0.767 27 E CB 2.526 32.189 29.700 -0.062 0.000 1.248 27 E HN 0.234 nan 8.360 nan 0.000 0.440 28 P HA 0.077 nan 4.420 nan 0.000 0.276 28 P C -0.660 176.841 177.300 0.335 0.000 1.252 28 P CA -0.170 62.801 63.100 -0.215 0.000 0.802 28 P CB 1.170 32.440 31.700 -0.717 0.000 1.035 29 S N -1.226 114.635 115.700 0.269 0.000 2.703 29 S HA 0.238 2.239 4.470 -4.114 0.000 0.273 29 S C 0.787 175.526 174.600 0.231 0.000 1.178 29 S CA -0.704 57.697 58.200 0.337 0.000 0.838 29 S CB 0.781 64.153 63.200 0.288 0.000 1.178 29 S HN 0.367 nan 8.310 nan 0.000 0.494 30 E N 0.307 120.627 120.200 0.200 0.000 2.204 30 E HA -0.075 1.807 4.350 -4.114 0.000 0.194 30 E C 1.002 177.666 176.600 0.107 0.000 0.989 30 E CA 1.142 57.630 56.400 0.148 0.000 0.824 30 E CB -0.132 29.646 29.700 0.131 0.000 0.756 30 E HN 0.614 nan 8.360 nan 0.000 0.477 31 E N 0.021 120.283 120.200 0.103 0.000 2.358 31 E HA 0.032 1.913 4.350 -4.114 0.000 0.195 31 E C 0.053 176.687 176.600 0.057 0.000 1.010 31 E CA 0.485 56.929 56.400 0.073 0.000 0.856 31 E CB 0.667 30.411 29.700 0.073 0.000 0.795 31 E HN 0.129 nan 8.360 nan 0.000 0.504 32 A N 0.962 123.823 122.820 0.068 0.000 3.266 32 A HA 0.206 2.058 4.320 -4.114 0.000 0.310 32 A C -0.606 176.986 177.584 0.014 0.000 1.066 32 A CA -0.707 51.346 52.037 0.027 0.000 0.839 32 A CB 0.336 19.346 19.000 0.017 0.000 1.192 32 A HN -0.131 nan 8.150 nan 0.000 0.496 33 Q N 2.143 121.957 119.800 0.023 0.000 2.364 33 Q HA 0.214 2.086 4.340 -4.114 0.000 0.267 33 Q C -2.108 173.860 176.000 -0.053 0.000 0.999 33 Q CA -1.063 54.754 55.803 0.023 0.000 0.886 33 Q CB 0.569 29.334 28.738 0.046 0.000 1.243 33 Q HN 0.517 nan 8.270 nan 0.000 0.415 34 P HA 0.020 nan 4.420 nan 0.000 0.268 34 P C 0.011 177.249 177.300 -0.103 0.000 1.205 34 P CA 0.128 63.116 63.100 -0.187 0.000 0.771 34 P CB 0.689 32.220 31.700 -0.282 0.000 0.858 35 T N 0.588 115.076 114.554 -0.111 0.000 3.022 35 T HA 0.089 1.970 4.350 -4.114 0.000 0.250 35 T C 0.353 175.021 174.700 -0.053 0.000 1.060 35 T CA 0.559 62.620 62.100 -0.064 0.000 1.013 35 T CB 0.158 68.988 68.868 -0.063 0.000 0.982 35 T HN 0.487 nan 8.240 nan 0.000 0.508 36 E N 1.255 121.404 120.200 -0.085 0.000 2.392 36 E HA 0.502 2.383 4.350 -4.114 0.000 0.269 36 E C -1.142 175.410 176.600 -0.080 0.000 0.924 36 E CA -0.901 55.461 56.400 -0.062 0.000 0.784 36 E CB 1.375 31.040 29.700 -0.058 0.000 1.292 36 E HN -0.113 nan 8.360 nan 0.000 0.447 37 N N 1.999 120.674 118.700 -0.041 0.000 2.448 37 N HA 0.315 2.586 4.740 -4.114 0.000 0.279 37 N C -2.807 172.690 175.510 -0.021 0.000 1.025 37 N CA -2.176 50.854 53.050 -0.034 0.000 0.898 37 N CB 1.517 40.004 38.487 0.000 0.000 1.303 37 N HN 0.135 nan 8.380 nan 0.000 0.495 38 P HA 0.329 nan 4.420 nan 0.000 0.274 38 P C -2.748 174.468 177.300 -0.140 0.000 1.246 38 P CA -1.114 61.953 63.100 -0.055 0.000 0.795 38 P CB 0.042 31.726 31.700 -0.027 0.000 1.006 39 P HA 0.259 nan 4.420 nan 0.000 0.272 39 P C -0.390 176.630 177.300 -0.466 0.000 1.240 39 P CA -0.107 62.666 63.100 -0.544 0.000 0.791 39 P CB 0.330 31.317 31.700 -1.189 0.000 0.978 40 R N 1.272 121.485 120.500 -0.478 0.000 2.202 40 R HA 0.422 2.293 4.340 -4.114 0.000 0.334 40 R C -0.719 175.311 176.300 -0.450 0.000 1.036 40 R CA -0.097 55.807 56.100 -0.328 0.000 0.878 40 R CB -0.878 29.263 30.300 -0.265 0.000 1.067 40 R HN 0.364 nan 8.270 nan 0.000 0.457 41 F N 1.144 120.926 119.950 -0.280 0.000 2.404 41 F HA 0.488 2.547 4.527 -4.113 0.000 0.339 41 F C 0.651 176.387 175.800 -0.106 0.000 1.105 41 F CA -0.166 57.668 58.000 -0.277 0.000 1.087 41 F CB 1.595 40.441 39.000 -0.257 0.000 1.143 41 F HN 0.471 nan 8.300 nan 0.000 0.491 42 S N 2.318 118.094 115.700 0.126 0.000 2.536 42 S HA 0.793 2.794 4.470 -4.114 0.000 0.271 42 S C -1.672 173.094 174.600 0.276 0.000 1.134 42 S CA -0.940 57.249 58.200 -0.017 0.000 0.897 42 S CB 1.266 64.371 63.200 -0.158 0.000 1.094 42 S HN 0.727 nan 8.310 nan 0.000 0.473 43 W N 0.848 122.093 121.300 -0.091 0.000 3.127 43 W HA 0.770 2.963 4.660 -4.111 0.000 0.330 43 W C -1.986 174.308 176.519 -0.375 0.000 1.187 43 W CA -1.369 55.829 57.345 -0.245 0.000 1.198 43 W CB 0.351 29.634 29.460 -0.295 0.000 1.408 43 W HN 0.550 nan 8.180 nan 0.000 0.529 44 L N 4.760 125.730 121.223 -0.421 0.000 2.456 44 L HA 0.264 2.136 4.340 -4.114 0.000 0.272 44 L C -1.386 175.577 176.870 0.154 0.000 1.189 44 L CA -1.049 53.687 54.840 -0.174 0.000 0.846 44 L CB -0.122 41.832 42.059 -0.175 0.000 1.111 44 L HN 0.209 nan 8.230 nan 0.000 0.475 45 P HA 0.080 nan 4.420 nan 0.000 0.274 45 P C -0.841 176.708 177.300 0.415 0.000 1.237 45 P CA -0.586 62.718 63.100 0.339 0.000 0.793 45 P CB 0.726 32.623 31.700 0.328 0.000 0.977 46 D N 0.132 120.854 120.400 0.537 0.000 2.363 46 D HA -0.052 2.120 4.640 -4.114 0.000 0.240 46 D C 1.335 177.799 176.300 0.274 0.000 1.236 46 D CA -0.194 54.037 54.000 0.386 0.000 0.927 46 D CB 0.191 41.206 40.800 0.357 0.000 1.150 46 D HN 0.213 nan 8.370 nan 0.000 0.458 47 I N 0.651 121.343 120.570 0.204 0.000 2.335 47 I HA -0.158 1.544 4.170 -4.114 0.000 0.251 47 I C 0.332 176.540 176.117 0.152 0.000 1.129 47 I CA 1.175 62.571 61.300 0.160 0.000 1.402 47 I CB -0.197 37.877 38.000 0.123 0.000 1.069 47 I HN 0.367 nan 8.210 nan 0.000 0.424 48 D N 0.370 120.859 120.400 0.149 0.000 2.336 48 D HA -0.004 2.167 4.640 -4.114 0.000 0.249 48 D C 0.774 177.165 176.300 0.151 0.000 1.213 48 D CA -0.057 54.017 54.000 0.123 0.000 0.870 48 D CB 0.675 41.530 40.800 0.092 0.000 1.076 48 D HN 0.389 nan 8.370 nan 0.000 0.483 49 D N 1.684 122.178 120.400 0.156 0.000 2.312 49 D HA -0.042 2.130 4.640 -4.114 0.000 0.211 49 D C 1.412 177.805 176.300 0.155 0.000 0.964 49 D CA 0.312 54.432 54.000 0.200 0.000 0.877 49 D CB -0.210 40.717 40.800 0.211 0.000 0.924 49 D HN 0.366 nan 8.370 nan 0.000 0.515 50 G N -0.425 108.427 108.800 0.087 0.000 3.591 50 G HA2 0.471 1.963 3.960 -4.114 0.000 0.282 50 G HA3 0.471 1.963 3.960 -4.114 0.000 0.282 50 G C 0.125 175.013 174.900 -0.020 0.000 1.238 50 G CA -0.084 45.029 45.100 0.023 0.000 0.993 50 G HN 0.487 nan 8.290 nan 0.000 0.542 51 A N 0.604 123.409 122.820 -0.025 0.000 2.304 51 A HA 0.815 2.667 4.320 -4.114 0.000 0.301 51 A C 0.390 177.788 177.584 -0.309 0.000 1.132 51 A CA -0.571 51.372 52.037 -0.157 0.000 0.819 51 A CB 0.982 19.853 19.000 -0.215 0.000 1.094 51 A HN 0.415 nan 8.150 nan 0.000 0.492 52 R N 0.036 120.352 120.500 -0.306 0.000 2.787 52 R HA 0.616 2.487 4.340 -4.114 0.000 0.271 52 R C -1.589 174.520 176.300 -0.318 0.000 0.993 52 R CA -0.388 55.583 56.100 -0.215 0.000 0.993 52 R CB 1.468 31.782 30.300 0.022 0.000 1.155 52 R HN 0.752 nan 8.270 nan 0.000 0.486 53 Y N -0.617 119.790 120.300 0.178 0.000 2.570 53 Y HA 0.557 2.640 4.550 -4.113 0.000 0.345 53 Y C -0.468 175.464 175.900 0.055 0.000 1.014 53 Y CA -1.002 57.218 58.100 0.200 0.000 1.063 53 Y CB 2.184 40.883 38.460 0.399 0.000 1.272 53 Y HN 0.196 nan 8.280 nan 0.000 0.477 54 V N 3.748 123.792 119.914 0.217 0.000 2.588 54 V HA 0.675 2.326 4.120 -4.114 0.000 0.304 54 V C -1.836 174.363 176.094 0.174 0.000 1.042 54 V CA -0.742 61.593 62.300 0.059 0.000 0.877 54 V CB 1.673 33.567 31.823 0.118 0.000 0.996 54 V HN 0.642 nan 8.190 nan 0.000 0.425 55 L N 7.274 128.564 121.223 0.113 0.000 2.329 55 L HA 0.746 2.618 4.340 -4.114 0.000 0.279 55 L C -0.367 176.648 176.870 0.242 0.000 1.014 55 L CA -0.115 54.820 54.840 0.158 0.000 0.814 55 L CB 1.734 43.767 42.059 -0.043 0.000 1.257 55 L HN 0.734 nan 8.230 nan 0.000 0.424 56 R N 5.559 126.202 120.500 0.238 0.000 2.599 56 R HA 0.707 2.579 4.340 -4.114 0.000 0.295 56 R C -1.380 175.170 176.300 0.416 0.000 0.963 56 R CA -0.711 55.486 56.100 0.161 0.000 0.883 56 R CB 2.002 32.166 30.300 -0.228 0.000 1.171 56 R HN 0.632 nan 8.270 nan 0.000 0.450 57 I N 0.765 121.616 120.570 0.468 0.000 2.498 57 I HA 0.372 2.073 4.170 -4.114 0.000 0.290 57 I C -0.428 175.984 176.117 0.493 0.000 1.032 57 I CA -0.506 61.159 61.300 0.608 0.000 1.073 57 I CB 2.276 40.601 38.000 0.541 0.000 1.251 57 I HN 0.448 nan 8.210 nan 0.000 0.426 58 S N 1.700 117.653 115.700 0.421 0.000 2.537 58 S HA 0.315 2.316 4.470 -4.114 0.000 0.270 58 S C 0.580 175.184 174.600 0.006 0.000 1.142 58 S CA -0.225 58.050 58.200 0.125 0.000 0.870 58 S CB 1.604 64.704 63.200 -0.167 0.000 1.112 58 S HN 0.793 nan 8.310 nan 0.000 0.466 59 T N -0.300 114.188 114.554 -0.109 0.000 3.023 59 T HA 0.077 1.958 4.350 -4.114 0.000 0.266 59 T C 0.389 175.005 174.700 -0.139 0.000 1.093 59 T CA 0.742 62.673 62.100 -0.282 0.000 1.129 59 T CB -0.346 68.305 68.868 -0.362 0.000 0.899 59 T HN 0.485 nan 8.240 nan 0.000 0.491 60 D N 3.226 123.511 120.400 -0.191 0.000 2.347 60 D HA 0.233 2.405 4.640 -4.114 0.000 0.235 60 D C -1.676 174.323 176.300 -0.502 0.000 1.149 60 D CA -2.866 50.985 54.000 -0.247 0.000 0.850 60 D CB 1.680 42.364 40.800 -0.194 0.000 1.061 60 D HN 0.042 nan 8.370 nan 0.000 0.487 61 P HA 0.032 nan 4.420 nan 0.000 0.239 61 P C 0.949 177.979 177.300 -0.450 0.000 1.184 61 P CA 0.320 62.935 63.100 -0.809 0.000 0.760 61 P CB 0.230 31.338 31.700 -0.987 0.000 0.884 62 G N -1.356 107.252 108.800 -0.319 0.000 2.986 62 G HA2 0.015 1.506 3.960 -4.114 0.000 0.213 62 G HA3 0.015 1.506 3.960 -4.114 0.000 0.213 62 G C 0.256 175.170 174.900 0.024 0.000 1.156 62 G CA -0.372 44.669 45.100 -0.099 0.000 0.763 62 G HN 0.037 nan 8.290 nan 0.000 0.547 63 F N 0.637 120.517 119.950 -0.115 0.000 3.074 63 F HA -0.197 1.861 4.527 -4.115 0.000 0.287 63 F C 1.298 177.030 175.800 -0.113 0.000 0.932 63 F CA 0.578 58.503 58.000 -0.124 0.000 0.995 63 F CB -2.396 36.467 39.000 -0.228 0.000 0.966 63 F HN 0.125 nan 8.300 nan 0.000 0.721 64 T N -0.108 114.448 114.554 0.004 0.000 2.940 64 T HA -0.029 1.852 4.350 -4.114 0.000 0.309 64 T C 1.445 176.151 174.700 0.011 0.000 1.056 64 T CA 0.238 62.338 62.100 -0.001 0.000 1.137 64 T CB 0.711 69.565 68.868 -0.024 0.000 0.976 64 T HN 0.400 nan 8.240 nan 0.000 0.547 65 D N 2.847 123.252 120.400 0.009 0.000 2.149 65 D HA -0.101 2.071 4.640 -4.114 0.000 0.194 65 D C 1.859 178.164 176.300 0.008 0.000 1.001 65 D CA 1.577 55.584 54.000 0.012 0.000 0.849 65 D CB 0.182 40.988 40.800 0.011 0.000 0.939 65 D HN 0.611 nan 8.370 nan 0.000 0.449 66 K N -0.161 120.241 120.400 0.003 0.000 2.296 66 K HA -0.003 1.848 4.320 -4.114 0.000 0.200 66 K C 1.659 178.262 176.600 0.005 0.000 1.048 66 K CA 0.567 56.855 56.287 0.002 0.000 0.966 66 K CB 0.262 32.761 32.500 -0.001 0.000 0.754 66 K HN 0.047 nan 8.250 nan 0.000 0.466 67 K N 0.424 120.825 120.400 0.002 0.000 2.387 67 K HA 0.081 1.933 4.320 -4.114 0.000 0.198 67 K C -0.303 176.318 176.600 0.035 0.000 1.022 67 K CA 0.246 56.536 56.287 0.004 0.000 1.128 67 K CB 1.045 33.527 32.500 -0.030 0.000 0.853 67 K HN -0.065 nan 8.250 nan 0.000 0.523 68 T N 1.453 116.033 114.554 0.044 0.000 2.807 68 T HA 0.417 2.298 4.350 -4.114 0.000 0.279 68 T C -0.331 174.385 174.700 0.028 0.000 0.993 68 T CA -0.647 61.503 62.100 0.083 0.000 0.970 68 T CB 1.585 70.522 68.868 0.115 0.000 0.950 68 T HN -0.008 nan 8.240 nan 0.000 0.441 69 L N 2.946 124.188 121.223 0.031 0.000 2.289 69 L HA 0.678 2.550 4.340 -4.114 0.000 0.285 69 L C -0.529 176.145 176.870 -0.328 0.000 1.049 69 L CA -0.972 53.765 54.840 -0.171 0.000 0.804 69 L CB 1.151 43.142 42.059 -0.113 0.000 1.195 69 L HN 0.307 nan 8.230 nan 0.000 0.428 70 V N 3.456 123.051 119.914 -0.532 0.000 2.444 70 V HA 0.407 2.058 4.120 -4.114 0.000 0.294 70 V C -0.681 174.999 176.094 -0.690 0.000 1.022 70 V CA -0.404 61.642 62.300 -0.423 0.000 0.850 70 V CB 1.459 33.178 31.823 -0.174 0.000 0.992 70 V HN 0.393 nan 8.190 nan 0.000 0.426 71 F N 2.657 122.486 119.950 -0.202 0.000 2.325 71 F HA 0.530 2.590 4.527 -4.111 0.000 0.369 71 F C 0.710 176.234 175.800 -0.460 0.000 1.095 71 F CA -0.566 57.218 58.000 -0.361 0.000 1.082 71 F CB 0.955 39.583 39.000 -0.620 0.000 1.289 71 F HN 0.468 nan 8.300 nan 0.000 0.462 72 E N 0.589 120.532 120.200 -0.427 0.000 2.283 72 E HA 0.225 2.107 4.350 -4.114 0.000 0.267 72 E C -0.440 175.680 176.600 -0.800 0.000 1.045 72 E CA -0.795 55.056 56.400 -0.915 0.000 0.884 72 E CB 0.820 29.802 29.700 -1.197 0.000 1.106 72 E HN 0.578 nan 8.360 nan 0.000 0.408 73 D N 0.622 120.302 120.400 -1.200 0.000 2.723 73 D HA -0.178 1.993 4.640 -4.114 0.000 0.236 73 D C -1.199 174.970 176.300 -0.217 0.000 1.138 73 D CA 0.378 54.044 54.000 -0.557 0.000 0.676 73 D CB -1.128 39.510 40.800 -0.270 0.000 1.069 73 D HN 0.307 nan 8.370 nan 0.000 0.430 74 L N -0.232 120.896 121.223 -0.158 0.000 2.367 74 L HA 0.479 2.351 4.340 -4.114 0.000 0.275 74 L C 1.890 178.765 176.870 0.009 0.000 1.129 74 L CA 0.042 54.856 54.840 -0.043 0.000 0.839 74 L CB 1.090 43.158 42.059 0.015 0.000 1.133 74 L HN 0.197 nan 8.230 nan 0.000 0.453 75 A N 3.438 126.182 122.820 -0.128 0.000 2.067 75 A HA 0.021 1.872 4.320 -4.114 0.000 0.217 75 A C 0.165 177.355 177.584 -0.656 0.000 1.156 75 A CA 0.568 52.337 52.037 -0.447 0.000 0.683 75 A CB -0.036 18.590 19.000 -0.623 0.000 0.808 75 A HN 0.736 nan 8.150 nan 0.000 0.455 76 W N -0.856 120.455 121.300 0.018 0.000 2.902 76 W HA 0.380 2.575 4.660 -4.107 0.000 0.346 76 W C 0.378 176.722 176.519 -0.291 0.000 1.139 76 W CA -0.840 56.431 57.345 -0.124 0.000 1.139 76 W CB 0.733 29.895 29.460 -0.498 0.000 1.439 76 W HN 0.168 nan 8.180 nan 0.000 0.558 77 N N 1.716 120.306 118.700 -0.182 0.000 2.416 77 N HA 0.042 2.313 4.740 -4.114 0.000 0.215 77 N C -0.739 173.846 175.510 -1.542 0.000 1.208 77 N CA 0.213 52.495 53.050 -1.281 0.000 0.834 77 N CB -0.525 37.410 38.487 -0.920 0.000 1.072 77 N HN 0.416 nan 8.380 nan 0.000 0.472 78 F N -2.473 116.936 119.950 -0.902 0.000 2.654 78 F HA 0.762 2.825 4.527 -4.107 0.000 0.308 78 F C -1.660 174.078 175.800 -0.104 0.000 1.108 78 F CA -1.728 55.924 58.000 -0.581 0.000 0.957 78 F CB 1.356 40.133 39.000 -0.370 0.000 1.309 78 F HN -0.155 nan 8.300 nan 0.000 0.446 79 F N 0.628 120.523 119.950 -0.092 0.000 2.669 79 F HA 0.584 2.643 4.527 -4.113 0.000 0.315 79 F C -1.630 174.145 175.800 -0.042 0.000 1.109 79 F CA -0.192 57.736 58.000 -0.121 0.000 1.028 79 F CB 2.203 41.126 39.000 -0.128 0.000 1.287 79 F HN 0.739 nan 8.300 nan 0.000 0.452 80 T N 6.714 120.775 114.554 -0.823 0.000 2.786 80 T HA 0.428 2.310 4.350 -4.114 0.000 0.283 80 T C -2.713 171.253 174.700 -1.223 0.000 0.992 80 T CA -1.345 60.331 62.100 -0.707 0.000 0.954 80 T CB 1.713 70.356 68.868 -0.376 0.000 0.934 80 T HN 0.213 nan 8.240 nan 0.000 0.440 81 P HA 0.101 nan 4.420 nan 0.000 0.270 81 P C 0.359 177.473 177.300 -0.311 0.000 1.227 81 P CA -0.224 62.517 63.100 -0.599 0.000 0.788 81 P CB 0.520 32.066 31.700 -0.256 0.000 0.926 82 D N -0.717 119.615 120.400 -0.114 0.000 2.328 82 D HA 0.027 2.198 4.640 -4.114 0.000 0.221 82 D C -0.043 176.257 176.300 0.001 0.000 1.072 82 D CA 0.401 54.363 54.000 -0.064 0.000 0.850 82 D CB -0.051 40.739 40.800 -0.017 0.000 0.922 82 D HN 0.396 nan 8.370 nan 0.000 0.516 83 E N -0.373 119.844 120.200 0.028 0.000 2.335 83 E HA 0.539 2.420 4.350 -4.114 0.000 0.280 83 E C -1.250 175.380 176.600 0.050 0.000 0.918 83 E CA -0.967 55.465 56.400 0.052 0.000 0.765 83 E CB 2.095 31.847 29.700 0.087 0.000 1.218 83 E HN 0.100 nan 8.360 nan 0.000 0.425 84 A N 3.700 126.545 122.820 0.042 0.000 2.466 84 A HA 0.331 2.182 4.320 -4.114 0.000 0.238 84 A C -0.288 177.330 177.584 0.057 0.000 1.074 84 A CA 0.061 52.122 52.037 0.039 0.000 0.774 84 A CB 0.202 19.225 19.000 0.039 0.000 1.015 84 A HN 0.566 nan 8.150 nan 0.000 0.498 85 L N 2.209 123.456 121.223 0.040 0.000 2.343 85 L HA 0.376 2.247 4.340 -4.114 0.000 0.275 85 L C -2.017 174.921 176.870 0.113 0.000 1.056 85 L CA -2.011 52.855 54.840 0.045 0.000 0.804 85 L CB 1.199 43.162 42.059 -0.159 0.000 1.203 85 L HN 0.458 nan 8.230 nan 0.000 0.440 86 P HA 0.011 nan 4.420 nan 0.000 0.268 86 P C -1.094 176.354 177.300 0.247 0.000 1.208 86 P CA -0.312 62.903 63.100 0.191 0.000 0.777 86 P CB 0.328 32.143 31.700 0.191 0.000 0.875 87 D N 0.262 120.757 120.400 0.160 0.000 2.478 87 D HA 0.384 2.556 4.640 -4.114 0.000 0.234 87 D C 1.098 177.485 176.300 0.144 0.000 1.154 87 D CA 1.354 55.440 54.000 0.142 0.000 0.874 87 D CB 0.105 40.954 40.800 0.080 0.000 1.198 87 D HN 0.613 nan 8.370 nan 0.000 0.455 88 G N 0.426 109.283 108.800 0.096 0.000 2.339 88 G HA2 0.058 1.550 3.960 -4.114 0.000 0.275 88 G HA3 0.058 1.550 3.960 -4.114 0.000 0.275 88 G C -1.669 173.090 174.900 -0.235 0.000 1.323 88 G CA -0.912 44.156 45.100 -0.053 0.000 0.927 88 G HN 0.524 nan 8.290 nan 0.000 0.486 89 H N -0.249 118.590 119.070 -0.385 0.000 2.589 89 H HA 0.589 2.677 4.556 -4.113 0.000 0.335 89 H C -1.141 173.758 175.328 -0.716 0.000 1.019 89 H CA -0.092 55.728 56.048 -0.379 0.000 1.213 89 H CB 1.660 31.272 29.762 -0.251 0.000 1.472 89 H HN 0.420 nan 8.280 nan 0.000 0.508 90 Y N 1.277 121.173 120.300 -0.672 0.000 2.602 90 Y HA 0.346 2.428 4.550 -4.113 0.000 0.342 90 Y C 0.423 175.753 175.900 -0.949 0.000 1.029 90 Y CA -0.794 56.823 58.100 -0.804 0.000 1.080 90 Y CB 1.921 39.718 38.460 -1.104 0.000 1.284 90 Y HN 0.560 nan 8.280 nan 0.000 0.485 91 H N 1.005 120.099 119.070 0.040 0.000 2.768 91 H HA 0.316 2.404 4.556 -4.114 0.000 0.371 91 H C -1.311 174.451 175.328 0.724 0.000 1.151 91 H CA -1.026 55.173 56.048 0.252 0.000 1.165 91 H CB 2.498 32.230 29.762 -0.050 0.000 1.722 91 H HN 0.844 nan 8.280 nan 0.000 0.543 92 W N 1.427 123.195 121.300 0.780 0.000 3.217 92 W HA 0.530 2.722 4.660 -4.113 0.000 0.323 92 W C -1.342 175.435 176.519 0.431 0.000 1.216 92 W CA -1.258 56.514 57.345 0.712 0.000 1.194 92 W CB 0.847 30.780 29.460 0.788 0.000 1.397 92 W HN 0.797 nan 8.180 nan 0.000 0.537 93 C N 1.152 120.573 119.300 0.202 0.000 3.291 93 C HA 0.897 2.889 4.460 -4.114 0.000 0.316 93 C C -1.076 174.057 174.990 0.238 0.000 1.391 93 C CA -0.905 58.066 59.018 -0.078 0.000 1.394 93 C CB 1.412 28.964 27.740 -0.313 0.000 1.744 93 C HN 0.953 nan 8.230 nan 0.000 0.461 94 Y N -0.472 119.867 120.300 0.065 0.000 2.581 94 Y HA 0.956 3.038 4.550 -4.112 0.000 0.345 94 Y C -0.419 175.429 175.900 -0.086 0.000 1.036 94 Y CA -0.587 57.509 58.100 -0.007 0.000 1.042 94 Y CB 1.167 39.248 38.460 -0.632 0.000 1.289 94 Y HN 1.381 nan 8.280 nan 0.000 0.471 95 A N 2.037 124.704 122.820 -0.255 0.000 2.569 95 A HA 0.722 2.574 4.320 -4.114 0.000 0.290 95 A C -1.591 175.891 177.584 -0.169 0.000 1.136 95 A CA -1.235 50.472 52.037 -0.549 0.000 0.710 95 A CB 1.264 19.398 19.000 -1.443 0.000 1.303 95 A HN 0.870 nan 8.150 nan 0.000 0.413 96 L N 1.298 122.329 121.223 -0.321 0.000 2.426 96 L HA 0.188 2.059 4.340 -4.114 0.000 0.271 96 L C -0.241 176.378 176.870 -0.419 0.000 1.169 96 L CA 0.016 54.594 54.840 -0.437 0.000 0.836 96 L CB 0.603 42.196 42.059 -0.776 0.000 1.112 96 L HN 0.742 nan 8.230 nan 0.000 0.465 97 W N 4.132 125.214 121.300 -0.363 0.000 2.587 97 W HA 0.234 2.426 4.660 -4.113 0.000 0.324 97 W C -1.061 175.502 176.519 0.074 0.000 1.040 97 W CA -0.737 56.520 57.345 -0.147 0.000 1.222 97 W CB 1.860 31.272 29.460 -0.081 0.000 1.381 97 W HN 0.466 nan 8.180 nan 0.000 0.483 98 D N 3.694 123.816 120.400 -0.464 0.000 2.347 98 D HA 0.052 2.224 4.640 -4.114 0.000 0.235 98 D C 1.095 177.023 176.300 -0.621 0.000 1.149 98 D CA 0.233 54.019 54.000 -0.356 0.000 0.850 98 D CB 1.614 42.240 40.800 -0.290 0.000 1.061 98 D HN 0.495 nan 8.370 nan 0.000 0.487 99 Q N 2.917 122.603 119.800 -0.189 0.000 2.079 99 Q HA -0.156 1.716 4.340 -4.114 0.000 0.200 99 Q C 1.189 177.177 176.000 -0.020 0.000 0.974 99 Q CA 1.046 56.875 55.803 0.044 0.000 0.840 99 Q CB 0.317 29.120 28.738 0.109 0.000 0.898 99 Q HN 0.283 nan 8.270 nan 0.000 0.430 100 K N -0.015 120.333 120.400 -0.087 0.000 2.007 100 K HA -0.051 1.801 4.320 -4.114 0.000 0.206 100 K C 2.174 178.718 176.600 -0.093 0.000 1.047 100 K CA 1.577 57.822 56.287 -0.069 0.000 0.937 100 K CB -0.426 32.029 32.500 -0.075 0.000 0.718 100 K HN 0.272 nan 8.250 nan 0.000 0.438 101 S N 0.147 115.750 115.700 -0.161 0.000 2.562 101 S HA 0.220 2.222 4.470 -4.114 0.000 0.221 101 S C 0.797 175.270 174.600 -0.213 0.000 0.975 101 S CA 0.582 58.684 58.200 -0.163 0.000 0.918 101 S CB -0.107 62.989 63.200 -0.172 0.000 0.772 101 S HN 0.305 nan 8.310 nan 0.000 0.531 102 A N -0.255 122.376 122.820 -0.315 0.000 2.667 102 A HA -0.036 1.816 4.320 -4.114 0.000 0.298 102 A C 0.409 177.570 177.584 -0.706 0.000 1.483 102 A CA 0.977 52.803 52.037 -0.351 0.000 0.738 102 A CB -2.414 16.629 19.000 0.071 0.000 1.067 102 A HN 0.981 nan 8.150 nan 0.000 0.451 103 T N -1.593 112.243 114.554 -1.196 0.000 2.853 103 T HA 0.712 2.593 4.350 -4.114 0.000 0.311 103 T C -0.068 174.157 174.700 -0.792 0.000 1.307 103 T CA 0.489 62.104 62.100 -0.808 0.000 1.019 103 T CB 1.323 70.006 68.868 -0.308 0.000 1.264 103 T HN 2.016 nan 8.240 nan 0.000 0.497 104 A N 2.157 124.797 122.820 -0.299 0.000 2.491 104 A HA 0.387 2.238 4.320 -4.114 0.000 0.261 104 A C 0.529 177.947 177.584 -0.276 0.000 1.101 104 A CA 0.398 52.273 52.037 -0.270 0.000 0.772 104 A CB -0.573 18.209 19.000 -0.364 0.000 1.043 104 A HN 1.057 nan 8.150 nan 0.000 0.501 105 H N 0.650 119.549 119.070 -0.285 0.000 2.505 105 H HA 0.459 2.546 4.556 -4.114 0.000 0.289 105 H C 0.175 175.386 175.328 -0.195 0.000 1.052 105 H CA 0.192 56.104 56.048 -0.227 0.000 1.156 105 H CB -0.078 29.555 29.762 -0.215 0.000 1.507 105 H HN 0.537 nan 8.280 nan 0.000 0.548 106 S N 0.013 115.471 115.700 -0.404 0.000 2.661 106 S HA 0.314 2.316 4.470 -4.114 0.000 0.285 106 S C -0.427 173.951 174.600 -0.369 0.000 1.138 106 S CA -1.050 56.960 58.200 -0.316 0.000 0.855 106 S CB 1.610 64.603 63.200 -0.345 0.000 1.136 106 S HN 0.561 nan 8.310 nan 0.000 0.484 107 N N -0.038 118.511 118.700 -0.250 0.000 2.381 107 N HA 0.034 2.305 4.740 -4.114 0.000 0.241 107 N C -1.057 174.238 175.510 -0.359 0.000 1.279 107 N CA -0.047 52.871 53.050 -0.220 0.000 0.896 107 N CB -0.122 38.307 38.487 -0.098 0.000 1.118 107 N HN 0.773 nan 8.380 nan 0.000 0.438 108 W N 0.360 121.545 121.300 -0.191 0.000 2.202 108 W HA 0.205 2.396 4.660 -4.115 0.000 0.332 108 W C 1.350 177.655 176.519 -0.357 0.000 1.263 108 W CA -0.499 56.674 57.345 -0.287 0.000 1.223 108 W CB 0.478 29.766 29.460 -0.286 0.000 1.128 108 W HN 0.584 nan 8.180 nan 0.000 0.573 109 S N 0.931 116.438 115.700 -0.322 0.000 2.626 109 S HA 0.245 2.247 4.470 -4.114 0.000 0.257 109 S C 0.261 174.678 174.600 -0.305 0.000 1.288 109 S CA -0.818 57.083 58.200 -0.498 0.000 0.980 109 S CB 0.155 62.665 63.200 -1.151 0.000 0.975 109 S HN 0.414 nan 8.310 nan 0.000 0.577 110 T N 1.385 115.763 114.554 -0.294 0.000 2.939 110 T HA 0.146 2.028 4.350 -4.114 0.000 0.312 110 T C -0.012 174.530 174.700 -0.264 0.000 1.064 110 T CA -0.119 61.839 62.100 -0.236 0.000 1.136 110 T CB -0.108 68.605 68.868 -0.258 0.000 1.035 110 T HN 0.524 nan 8.240 nan 0.000 0.538 111 V N 5.432 125.255 119.914 -0.151 0.000 2.432 111 V HA 0.353 2.004 4.120 -4.114 0.000 0.275 111 V C 0.648 176.698 176.094 -0.074 0.000 1.043 111 V CA -0.301 61.953 62.300 -0.076 0.000 0.925 111 V CB 0.852 32.736 31.823 0.102 0.000 0.985 111 V HN 0.706 nan 8.190 nan 0.000 0.466 112 R N 2.624 123.018 120.500 -0.176 0.000 2.832 112 R HA 0.774 2.646 4.340 -4.114 0.000 0.271 112 R C -0.723 175.765 176.300 0.313 0.000 0.996 112 R CA -0.561 55.535 56.100 -0.006 0.000 0.977 112 R CB 2.155 32.393 30.300 -0.103 0.000 1.168 112 R HN 0.700 nan 8.270 nan 0.000 0.482 113 S N 1.031 116.958 115.700 0.378 0.000 2.600 113 S HA 0.762 2.763 4.470 -4.114 0.000 0.300 113 S C -1.228 173.623 174.600 0.418 0.000 1.087 113 S CA -0.802 57.576 58.200 0.296 0.000 0.965 113 S CB 1.283 64.571 63.200 0.147 0.000 1.089 113 S HN 0.517 nan 8.310 nan 0.000 0.496 114 F N -0.923 119.117 119.950 0.149 0.000 2.693 114 F HA 0.684 2.744 4.527 -4.111 0.000 0.309 114 F C -1.032 174.798 175.800 0.050 0.000 1.129 114 F CA -0.966 57.098 58.000 0.106 0.000 0.948 114 F CB 1.161 40.214 39.000 0.088 0.000 1.315 114 F HN 0.526 nan 8.300 nan 0.000 0.447 115 E N 2.234 122.506 120.200 0.121 0.000 2.179 115 E HA 0.515 2.397 4.350 -4.114 0.000 0.275 115 E C -1.447 175.215 176.600 0.103 0.000 0.945 115 E CA -0.899 55.434 56.400 -0.112 0.000 0.792 115 E CB 1.511 31.028 29.700 -0.305 0.000 1.125 115 E HN 0.598 nan 8.360 nan 0.000 0.397 116 I N 3.902 124.540 120.570 0.113 0.000 2.362 116 I HA 0.177 1.879 4.170 -4.114 0.000 0.289 116 I C 0.313 176.471 176.117 0.069 0.000 0.994 116 I CA -0.337 61.046 61.300 0.138 0.000 1.158 116 I CB 0.794 38.913 38.000 0.200 0.000 1.315 116 I HN 0.485 nan 8.210 nan 0.000 0.451 117 S N 4.153 119.881 115.700 0.046 0.000 2.726 117 S HA 0.441 2.443 4.470 -4.114 0.000 0.308 117 S C 0.707 175.332 174.600 0.042 0.000 1.115 117 S CA -0.663 57.559 58.200 0.037 0.000 0.965 117 S CB 2.371 65.585 63.200 0.024 0.000 1.145 117 S HN 0.633 nan 8.310 nan 0.000 0.532 118 E N -0.023 120.201 120.200 0.039 0.000 2.285 118 E HA 0.012 1.893 4.350 -4.114 0.000 0.194 118 E C 1.889 178.508 176.600 0.032 0.000 0.997 118 E CA 0.710 57.132 56.400 0.037 0.000 0.845 118 E CB -0.340 29.381 29.700 0.036 0.000 0.782 118 E HN 0.768 nan 8.360 nan 0.000 0.491 119 A N 0.781 123.618 122.820 0.028 0.000 2.067 119 A HA -0.015 1.836 4.320 -4.114 0.000 0.219 119 A C 1.097 178.695 177.584 0.023 0.000 1.158 119 A CA 0.283 52.335 52.037 0.025 0.000 0.661 119 A CB -0.311 18.702 19.000 0.022 0.000 0.801 119 A HN 0.175 nan 8.150 nan 0.000 0.452 120 L N 1.268 122.505 121.223 0.023 0.000 2.462 120 L HA 0.178 2.050 4.340 -4.114 0.000 0.272 120 L C -2.290 174.593 176.870 0.022 0.000 1.166 120 L CA -1.775 53.075 54.840 0.017 0.000 0.880 120 L CB 0.154 42.219 42.059 0.010 0.000 1.142 120 L HN 0.054 nan 8.230 nan 0.000 0.473 121 P HA 0.010 nan 4.420 nan 0.000 0.265 121 P C -0.902 176.417 177.300 0.031 0.000 1.193 121 P CA 0.098 63.218 63.100 0.034 0.000 0.765 121 P CB 0.364 32.089 31.700 0.043 0.000 0.823 122 K N 1.867 122.290 120.400 0.038 0.000 2.263 122 K HA 0.309 2.160 4.320 -4.114 0.000 0.282 122 K C 0.001 176.629 176.600 0.047 0.000 1.089 122 K CA -0.132 56.177 56.287 0.036 0.000 0.907 122 K CB 0.182 32.705 32.500 0.038 0.000 1.148 122 K HN 0.445 nan 8.250 nan 0.000 0.470 123 T N 0.049 114.628 114.554 0.043 0.000 3.585 123 T HA 0.232 2.114 4.350 -4.114 0.000 0.252 123 T C -2.288 172.450 174.700 0.063 0.000 1.382 123 T CA -1.889 60.254 62.100 0.070 0.000 1.584 123 T CB 0.136 69.054 68.868 0.083 0.000 0.892 123 T HN 0.237 nan 8.240 nan 0.000 0.671 124 P HA 0.300 nan 4.420 nan 0.000 0.272 124 P C -0.532 176.760 177.300 -0.013 0.000 1.230 124 P CA -0.686 62.411 63.100 -0.005 0.000 0.788 124 P CB 0.946 32.647 31.700 0.002 0.000 0.949 125 L N 4.105 125.236 121.223 -0.154 0.000 2.276 125 L HA 0.489 2.361 4.340 -4.114 0.000 0.286 125 L C -2.562 174.127 176.870 -0.302 0.000 1.024 125 L CA -2.705 51.937 54.840 -0.329 0.000 0.826 125 L CB 0.747 42.556 42.059 -0.415 0.000 1.211 125 L HN 0.145 nan 8.230 nan 0.000 0.422 126 P HA 0.139 nan 4.420 nan 0.000 0.264 126 P C 0.105 177.274 177.300 -0.219 0.000 1.183 126 P CA 0.122 63.109 63.100 -0.189 0.000 0.763 126 P CB 0.458 32.069 31.700 -0.150 0.000 0.807 127 G N 2.828 111.543 108.800 -0.140 0.000 2.651 127 G HA2 0.009 1.500 3.960 -4.114 0.000 0.260 127 G HA3 0.009 1.500 3.960 -4.114 0.000 0.260 127 G C 1.049 175.842 174.900 -0.180 0.000 1.216 127 G CA -0.486 44.546 45.100 -0.113 0.000 0.913 127 G HN 0.394 nan 8.290 nan 0.000 0.535 128 R N -0.536 119.853 120.500 -0.184 0.000 2.112 128 R HA -0.157 1.714 4.340 -4.114 0.000 0.242 128 R C 3.035 178.959 176.300 -0.626 0.000 1.137 128 R CA 2.092 57.936 56.100 -0.426 0.000 0.944 128 R CB -0.603 29.574 30.300 -0.205 0.000 0.857 128 R HN 0.490 nan 8.270 nan 0.000 0.435 129 S N 0.346 115.892 115.700 -0.255 0.000 2.359 129 S HA -0.192 1.809 4.470 -4.114 0.000 0.224 129 S C 2.057 176.589 174.600 -0.114 0.000 1.035 129 S CA 1.373 59.501 58.200 -0.120 0.000 1.018 129 S CB -0.294 62.888 63.200 -0.031 0.000 0.876 129 S HN 0.534 nan 8.310 nan 0.000 0.448 130 A N 1.803 124.553 122.820 -0.117 0.000 1.902 130 A HA -0.117 1.735 4.320 -4.114 0.000 0.217 130 A C 2.166 179.684 177.584 -0.111 0.000 1.181 130 A CA 1.284 53.267 52.037 -0.090 0.000 0.623 130 A CB -0.436 18.518 19.000 -0.076 0.000 0.818 130 A HN 0.428 nan 8.150 nan 0.000 0.443 131 R N -1.341 119.053 120.500 -0.177 0.000 2.090 131 R HA -0.074 1.797 4.340 -4.114 0.000 0.228 131 R C 2.034 178.296 176.300 -0.064 0.000 1.110 131 R CA 1.511 57.523 56.100 -0.146 0.000 0.973 131 R CB -0.512 29.686 30.300 -0.169 0.000 0.869 131 R HN 0.787 nan 8.270 nan 0.000 0.440 132 H N 0.035 119.072 119.070 -0.055 0.000 2.389 132 H HA 0.012 2.099 4.556 -4.115 0.000 0.299 132 H C 2.138 177.420 175.328 -0.077 0.000 1.081 132 H CA 0.705 56.721 56.048 -0.052 0.000 1.345 132 H CB 0.075 29.825 29.762 -0.019 0.000 1.393 132 H HN 0.270 nan 8.280 nan 0.000 0.520 133 A N 1.065 123.910 122.820 0.043 0.000 2.015 133 A HA -0.022 1.830 4.320 -4.114 0.000 0.219 133 A C 2.432 179.980 177.584 -0.060 0.000 1.163 133 A CA 1.178 53.209 52.037 -0.010 0.000 0.646 133 A CB -0.567 18.425 19.000 -0.013 0.000 0.806 133 A HN 0.462 nan 8.150 nan 0.000 0.448 134 A N -0.431 122.334 122.820 -0.091 0.000 2.067 134 A HA 0.511 2.362 4.320 -4.114 0.000 0.217 134 A C 1.451 178.888 177.584 -0.245 0.000 1.156 134 A CA 0.808 52.763 52.037 -0.137 0.000 0.683 134 A CB -0.623 18.303 19.000 -0.122 0.000 0.808 134 A HN 0.977 nan 8.150 nan 0.000 0.455 135 A N 0.818 123.447 122.820 -0.319 0.000 2.395 135 A HA 0.447 2.299 4.320 -4.114 0.000 0.286 135 A C 0.141 177.544 177.584 -0.303 0.000 1.193 135 A CA -0.331 51.337 52.037 -0.615 0.000 0.852 135 A CB -0.257 18.391 19.000 -0.587 0.000 1.118 135 A HN 0.602 nan 8.150 nan 0.000 0.524 136 Q N 0.979 120.632 119.800 -0.245 0.000 2.392 136 Q HA 0.191 2.062 4.340 -4.114 0.000 0.262 136 Q C 1.462 177.418 176.000 -0.073 0.000 1.003 136 Q CA 0.600 56.335 55.803 -0.113 0.000 0.888 136 Q CB 0.712 29.391 28.738 -0.099 0.000 1.260 136 Q HN 0.887 nan 8.270 nan 0.000 0.435 137 T N -2.765 111.733 114.554 -0.092 0.000 3.014 137 T HA -0.039 1.843 4.350 -4.114 0.000 0.263 137 T C 1.039 175.610 174.700 -0.215 0.000 1.078 137 T CA 0.414 62.447 62.100 -0.113 0.000 1.135 137 T CB 0.012 68.841 68.868 -0.064 0.000 0.895 137 T HN 0.560 nan 8.240 nan 0.000 0.480 138 S N 0.846 116.429 115.700 -0.196 0.000 2.608 138 S HA 0.326 2.327 4.470 -4.114 0.000 0.261 138 S C -0.590 173.752 174.600 -0.431 0.000 1.314 138 S CA -0.705 57.364 58.200 -0.218 0.000 0.992 138 S CB 0.141 63.261 63.200 -0.134 0.000 0.935 138 S HN 0.583 nan 8.310 nan 0.000 0.564 139 H N 0.490 119.377 119.070 -0.306 0.000 2.621 139 H HA 0.613 2.700 4.556 -4.115 0.000 0.360 139 H C -2.265 172.864 175.328 -0.331 0.000 1.163 139 H CA -1.418 54.423 56.048 -0.345 0.000 1.194 139 H CB 1.290 30.795 29.762 -0.428 0.000 1.649 139 H HN 0.536 nan 8.280 nan 0.000 0.532 140 P HA 0.240 nan 4.420 nan 0.000 0.276 140 P C -0.282 176.784 177.300 -0.390 0.000 1.261 140 P CA -0.334 62.443 63.100 -0.539 0.000 0.800 140 P CB 1.938 32.772 31.700 -1.443 0.000 1.066 141 R N -0.815 119.511 120.500 -0.289 0.000 2.470 141 R HA 0.301 2.172 4.340 -4.114 0.000 0.210 141 R C 0.375 176.613 176.300 -0.103 0.000 0.873 141 R CA -0.192 55.779 56.100 -0.215 0.000 1.015 141 R CB -0.029 30.001 30.300 -0.450 0.000 1.348 141 R HN 0.289 nan 8.270 nan 0.000 0.650 142 L N 2.340 123.543 121.223 -0.033 0.000 2.369 142 L HA 0.001 1.873 4.340 -4.114 0.000 0.279 142 L C 0.457 177.650 176.870 0.538 0.000 1.108 142 L CA 0.211 55.044 54.840 -0.012 0.000 0.852 142 L CB 0.369 42.004 42.059 -0.706 0.000 1.169 142 L HN 0.354 nan 8.230 nan 0.000 0.452 143 W N 3.477 124.934 121.300 0.263 0.000 0.649 143 W HA -0.336 1.857 4.660 -4.112 0.000 0.221 143 W C -0.927 175.702 176.519 0.183 0.000 1.002 143 W CA 0.994 58.522 57.345 0.304 0.000 0.879 143 W CB -0.953 28.789 29.460 0.470 0.000 1.806 143 W HN 0.253 nan 8.180 nan 0.000 0.496 144 L N 2.274 123.467 121.223 -0.049 0.000 2.334 144 L HA 0.335 2.207 4.340 -4.114 0.000 0.276 144 L C 0.667 177.373 176.870 -0.273 0.000 1.014 144 L CA -0.495 54.095 54.840 -0.415 0.000 0.815 144 L CB 1.225 42.849 42.059 -0.725 0.000 1.268 144 L HN 0.302 nan 8.230 nan 0.000 0.428 145 N N -0.205 118.356 118.700 -0.231 0.000 2.405 145 N HA 0.099 2.371 4.740 -4.114 0.000 0.269 145 N C 0.826 176.183 175.510 -0.254 0.000 1.249 145 N CA -0.184 52.742 53.050 -0.207 0.000 0.974 145 N CB 0.438 38.855 38.487 -0.118 0.000 1.204 145 N HN 0.572 nan 8.380 nan 0.000 0.565 146 S N -1.212 114.361 115.700 -0.212 0.000 2.383 146 S HA -0.144 1.857 4.470 -4.114 0.000 0.227 146 S C 1.281 175.799 174.600 -0.135 0.000 1.026 146 S CA 0.824 58.910 58.200 -0.190 0.000 0.981 146 S CB -0.687 62.425 63.200 -0.147 0.000 0.818 146 S HN 0.629 nan 8.310 nan 0.000 0.472 147 E N 1.327 121.463 120.200 -0.108 0.000 2.038 147 E HA -0.200 1.681 4.350 -4.114 0.000 0.195 147 E C 2.522 179.082 176.600 -0.066 0.000 1.000 147 E CA 1.643 57.998 56.400 -0.075 0.000 0.803 147 E CB -0.259 29.403 29.700 -0.062 0.000 0.750 147 E HN 0.687 nan 8.360 nan 0.000 0.448 148 Q N 0.245 119.992 119.800 -0.088 0.000 2.084 148 Q HA -0.175 1.696 4.340 -4.114 0.000 0.202 148 Q C 2.340 178.291 176.000 -0.081 0.000 0.978 148 Q CA 0.907 56.671 55.803 -0.066 0.000 0.844 148 Q CB -0.139 28.515 28.738 -0.140 0.000 0.898 148 Q HN 0.176 nan 8.270 nan 0.000 0.426 149 L N 0.296 121.416 121.223 -0.172 0.000 2.042 149 L HA -0.199 1.672 4.340 -4.114 0.000 0.210 149 L C 2.317 179.179 176.870 -0.012 0.000 1.076 149 L CA 2.063 56.826 54.840 -0.129 0.000 0.749 149 L CB -0.927 40.988 42.059 -0.240 0.000 0.893 149 L HN 0.078 nan 8.230 nan 0.000 0.432 150 S N -0.768 114.908 115.700 -0.040 0.000 2.353 150 S HA -0.196 1.806 4.470 -4.114 0.000 0.222 150 S C 2.158 176.751 174.600 -0.012 0.000 1.035 150 S CA 1.401 59.586 58.200 -0.027 0.000 1.025 150 S CB -0.586 62.590 63.200 -0.039 0.000 0.902 150 S HN 0.688 nan 8.310 nan 0.000 0.440 151 A N 0.179 123.003 122.820 0.007 0.000 1.933 151 A HA -0.015 1.837 4.320 -4.114 0.000 0.218 151 A C 1.999 179.601 177.584 0.030 0.000 1.175 151 A CA 1.610 53.654 52.037 0.011 0.000 0.628 151 A CB -0.998 18.022 19.000 0.034 0.000 0.814 151 A HN 0.663 nan 8.150 nan 0.000 0.444 152 F N 0.713 120.634 119.950 -0.048 0.000 2.186 152 F HA 0.022 2.081 4.527 -4.113 0.000 0.299 152 F C 2.508 178.240 175.800 -0.113 0.000 1.090 152 F CA 0.905 58.890 58.000 -0.024 0.000 1.307 152 F CB -0.339 38.651 39.000 -0.015 0.000 1.019 152 F HN 0.250 nan 8.300 nan 0.000 0.489 153 A N 0.091 122.883 122.820 -0.046 0.000 1.877 153 A HA -0.194 1.657 4.320 -4.114 0.000 0.216 153 A C 1.969 179.430 177.584 -0.205 0.000 1.186 153 A CA 2.011 53.957 52.037 -0.151 0.000 0.620 153 A CB -1.049 17.918 19.000 -0.055 0.000 0.822 153 A HN 0.393 nan 8.150 nan 0.000 0.443 154 D N 0.214 120.520 120.400 -0.157 0.000 2.104 154 D HA -0.101 2.070 4.640 -4.114 0.000 0.194 154 D C 2.185 178.341 176.300 -0.240 0.000 0.994 154 D CA 1.736 55.640 54.000 -0.160 0.000 0.830 154 D CB -0.505 40.224 40.800 -0.118 0.000 0.959 154 D HN 0.434 nan 8.370 nan 0.000 0.452 155 A N 0.327 122.931 122.820 -0.359 0.000 1.972 155 A HA -0.107 1.744 4.320 -4.114 0.000 0.219 155 A C 2.444 179.707 177.584 -0.535 0.000 1.169 155 A CA 1.036 52.731 52.037 -0.570 0.000 0.635 155 A CB -0.535 17.836 19.000 -1.049 0.000 0.810 155 A HN 0.168 nan 8.150 nan 0.000 0.446 156 V N -0.451 119.142 119.914 -0.536 0.000 2.591 156 V HA -0.131 1.520 4.120 -4.114 0.000 0.249 156 V C 2.955 178.905 176.094 -0.241 0.000 1.053 156 V CA 1.470 63.520 62.300 -0.417 0.000 1.068 156 V CB -0.854 30.556 31.823 -0.689 0.000 0.689 156 V HN 0.599 nan 8.190 nan 0.000 0.462 157 A N 0.158 122.847 122.820 -0.220 0.000 1.902 157 A HA -0.223 1.628 4.320 -4.114 0.000 0.217 157 A C 2.269 179.792 177.584 -0.101 0.000 1.181 157 A CA 1.863 53.820 52.037 -0.133 0.000 0.623 157 A CB -0.342 18.589 19.000 -0.115 0.000 0.818 157 A HN 0.540 nan 8.150 nan 0.000 0.443 158 K N -1.298 119.029 120.400 -0.121 0.000 2.228 158 K HA -0.031 1.820 4.320 -4.114 0.000 0.202 158 K C -0.339 176.226 176.600 -0.059 0.000 1.051 158 K CA 1.067 57.303 56.287 -0.086 0.000 0.960 158 K CB 0.113 32.553 32.500 -0.100 0.000 0.743 158 K HN 0.455 nan 8.250 nan 0.000 0.458 159 D N -0.743 119.618 120.400 -0.065 0.000 2.365 159 D HA 0.094 2.266 4.640 -4.114 0.000 0.235 159 D C -2.298 174.023 176.300 0.034 0.000 1.368 159 D CA -1.897 52.102 54.000 -0.002 0.000 1.001 159 D CB 1.562 42.378 40.800 0.026 0.000 1.364 159 D HN -0.238 nan 8.370 nan 0.000 0.577 160 P HA -0.067 nan 4.420 nan 0.000 0.228 160 P C 0.198 177.651 177.300 0.254 0.000 1.151 160 P CA 0.735 63.931 63.100 0.160 0.000 0.770 160 P CB 0.215 31.997 31.700 0.137 0.000 0.786 161 N N -1.812 116.998 118.700 0.184 0.000 2.270 161 N HA -0.021 2.250 4.740 -4.114 0.000 0.198 161 N C 0.367 176.002 175.510 0.208 0.000 1.117 161 N CA -0.237 52.927 53.050 0.191 0.000 0.845 161 N CB -0.697 37.865 38.487 0.126 0.000 0.980 161 N HN 0.206 nan 8.380 nan 0.000 0.486 162 H N 0.082 119.214 119.070 0.102 0.000 3.107 162 H HA 0.025 2.113 4.556 -4.113 0.000 0.301 162 H C 0.516 175.972 175.328 0.213 0.000 0.981 162 H CA -0.002 56.089 56.048 0.071 0.000 1.443 162 H CB -0.015 29.686 29.762 -0.102 0.000 1.479 162 H HN 0.204 nan 8.280 nan 0.000 0.564 163 C N 3.543 122.746 119.300 -0.162 0.000 4.297 163 C HA -0.172 1.820 4.460 -4.114 0.000 0.290 163 C C 1.661 176.770 174.990 0.199 0.000 1.444 163 C CA 1.179 60.225 59.018 0.046 0.000 1.982 163 C CB -2.382 25.498 27.740 0.233 0.000 1.276 163 C HN 1.463 nan 8.230 nan 0.000 0.797 164 G N -1.104 107.813 108.800 0.194 0.000 2.198 164 G HA2 -0.393 1.098 3.960 -4.114 0.000 0.260 164 G HA3 -0.393 1.098 3.960 -4.114 0.000 0.260 164 G C 0.711 175.789 174.900 0.296 0.000 1.025 164 G CA 0.629 45.852 45.100 0.205 0.000 0.769 164 G HN 1.096 nan 8.290 nan 0.000 0.507 165 W N 0.045 121.482 121.300 0.229 0.000 2.321 165 W HA -0.150 2.041 4.660 -4.115 0.000 0.306 165 W C 2.068 178.777 176.519 0.316 0.000 1.217 165 W CA 2.325 59.865 57.345 0.326 0.000 1.257 165 W CB -0.701 28.927 29.460 0.281 0.000 1.145 165 W HN 0.666 nan 8.180 nan 0.000 0.509 166 A N 0.394 123.330 122.820 0.194 0.000 1.940 166 A HA -0.279 1.573 4.320 -4.114 0.000 0.219 166 A C 1.975 179.562 177.584 0.006 0.000 1.176 166 A CA 1.976 54.054 52.037 0.068 0.000 0.631 166 A CB -1.114 17.960 19.000 0.122 0.000 0.814 166 A HN 0.519 nan 8.150 nan 0.000 0.446 167 E N -1.442 118.783 120.200 0.041 0.000 2.077 167 E HA -0.185 1.696 4.350 -4.114 0.000 0.193 167 E C 1.763 178.337 176.600 -0.043 0.000 0.989 167 E CA 1.269 57.677 56.400 0.014 0.000 0.800 167 E CB -0.221 29.512 29.700 0.054 0.000 0.746 167 E HN 0.639 nan 8.360 nan 0.000 0.452 168 F N 0.292 120.122 119.950 -0.199 0.000 2.102 168 F HA -0.237 1.821 4.527 -4.115 0.000 0.298 168 F C 2.128 177.663 175.800 -0.442 0.000 1.105 168 F CA 1.694 59.504 58.000 -0.317 0.000 1.239 168 F CB -0.661 38.151 39.000 -0.314 0.000 0.991 168 F HN 0.094 nan 8.300 nan 0.000 0.474 169 Y N 1.183 121.016 120.300 -0.777 0.000 2.128 169 Y HA -0.288 1.793 4.550 -4.114 0.000 0.284 169 Y C 2.661 178.286 175.900 -0.459 0.000 1.154 169 Y CA 2.442 60.112 58.100 -0.716 0.000 1.149 169 Y CB -0.729 37.384 38.460 -0.578 0.000 0.976 169 Y HN 0.330 nan 8.280 nan 0.000 0.505 170 E N -0.031 120.069 120.200 -0.167 0.000 2.051 170 E HA -0.246 1.636 4.350 -4.114 0.000 0.192 170 E C 1.974 178.401 176.600 -0.288 0.000 0.991 170 E CA 1.718 58.027 56.400 -0.152 0.000 0.799 170 E CB -0.067 29.599 29.700 -0.056 0.000 0.748 170 E HN 0.486 nan 8.360 nan 0.000 0.449 171 K N -0.763 119.448 120.400 -0.316 0.000 2.186 171 K HA 0.090 1.942 4.320 -4.114 0.000 0.202 171 K C 1.739 178.087 176.600 -0.420 0.000 1.052 171 K CA 0.985 57.085 56.287 -0.311 0.000 0.965 171 K CB 0.386 32.757 32.500 -0.216 0.000 0.746 171 K HN -0.073 nan 8.250 nan 0.000 0.457 172 S N -0.599 114.717 115.700 -0.641 0.000 2.604 172 S HA 0.107 2.108 4.470 -4.114 0.000 0.235 172 S C 1.352 175.631 174.600 -0.535 0.000 1.043 172 S CA -0.256 57.536 58.200 -0.680 0.000 0.997 172 S CB 0.906 63.421 63.200 -1.143 0.000 0.956 172 S HN -0.055 nan 8.310 nan 0.000 0.535 173 V N 1.210 120.699 119.914 -0.708 0.000 2.721 173 V HA 0.122 1.773 4.120 -4.114 0.000 0.236 173 V C 2.136 177.948 176.094 -0.469 0.000 1.116 173 V CA 0.657 62.659 62.300 -0.497 0.000 1.148 173 V CB -0.487 30.889 31.823 -0.745 0.000 0.886 173 V HN 0.316 nan 8.190 nan 0.000 0.490 174 E N 0.821 120.590 120.200 -0.720 0.000 2.113 174 E HA -0.278 1.603 4.350 -4.114 0.000 0.210 174 E C -0.528 175.859 176.600 -0.355 0.000 1.040 174 E CA 2.527 58.631 56.400 -0.494 0.000 0.847 174 E CB -0.871 28.596 29.700 -0.388 0.000 0.755 174 E HN 0.462 nan 8.360 nan 0.000 0.459 175 P HA -0.160 nan 4.420 nan 0.000 0.221 175 P C 0.104 177.048 177.300 -0.593 0.000 1.145 175 P CA 1.343 64.082 63.100 -0.601 0.000 0.795 175 P CB -0.239 30.935 31.700 -0.877 0.000 0.775 176 W N -1.447 119.769 121.300 -0.141 0.000 2.863 176 W HA 0.179 2.370 4.660 -4.116 0.000 0.258 176 W C 1.860 178.382 176.519 0.005 0.000 1.298 176 W CA -0.257 57.024 57.345 -0.106 0.000 1.451 176 W CB -0.773 28.512 29.460 -0.292 0.000 1.107 176 W HN -0.136 nan 8.180 nan 0.000 0.641 177 L N 0.964 122.254 121.223 0.112 0.000 2.141 177 L HA -0.192 1.679 4.340 -4.114 0.000 0.209 177 L C 2.628 179.573 176.870 0.124 0.000 1.094 177 L CA 1.705 56.615 54.840 0.116 0.000 0.763 177 L CB -0.622 41.465 42.059 0.047 0.000 0.908 177 L HN 0.169 nan 8.230 nan 0.000 0.437 178 E N 0.263 120.509 120.200 0.076 0.000 2.385 178 E HA -0.115 1.766 4.350 -4.114 0.000 0.194 178 E C 1.124 177.795 176.600 0.119 0.000 1.013 178 E CA -0.214 56.225 56.400 0.065 0.000 0.866 178 E CB 0.138 29.838 29.700 0.000 0.000 0.832 178 E HN 0.162 nan 8.360 nan 0.000 0.500 179 R N 3.074 123.703 120.500 0.216 0.000 2.340 179 R HA 0.193 2.065 4.340 -4.114 0.000 0.300 179 R C -2.255 174.255 176.300 0.350 0.000 1.069 179 R CA -1.919 54.376 56.100 0.325 0.000 0.984 179 R CB 0.566 31.192 30.300 0.543 0.000 1.003 179 R HN 0.041 nan 8.270 nan 0.000 0.459 180 P HA 0.018 nan 4.420 nan 0.000 0.275 180 P C -0.628 176.532 177.300 -0.233 0.000 1.227 180 P CA -0.309 62.791 63.100 0.001 0.000 0.781 180 P CB 0.796 32.488 31.700 -0.014 0.000 0.906 181 V N 4.011 123.538 119.914 -0.645 0.000 2.625 181 V HA -0.153 1.498 4.120 -4.114 0.000 0.305 181 V C 1.313 177.008 176.094 -0.664 0.000 1.055 181 V CA 0.373 61.865 62.300 -1.347 0.000 1.209 181 V CB -0.509 30.720 31.823 -0.990 0.000 0.877 181 V HN 0.637 nan 8.190 nan 0.000 0.489 182 M N 10.613 129.866 119.600 -0.578 0.000 2.338 182 M HA 0.166 2.178 4.480 -4.114 0.000 0.360 182 M C -1.940 174.408 176.300 0.079 0.000 1.547 182 M CA -0.876 54.431 55.300 0.011 0.000 1.001 182 M CB 0.073 32.871 32.600 0.331 0.000 2.008 182 M HN 0.423 nan 8.290 nan 0.000 0.464 183 P HA 0.028 nan 4.420 nan 0.000 0.271 183 P C -1.061 176.097 177.300 -0.236 0.000 1.218 183 P CA -0.169 62.894 63.100 -0.062 0.000 0.780 183 P CB 0.300 31.941 31.700 -0.098 0.000 0.901 184 E N 3.214 123.138 120.200 -0.461 0.000 2.480 184 E HA 0.050 1.931 4.350 -4.114 0.000 0.258 184 E C -1.877 174.242 176.600 -0.802 0.000 0.984 184 E CA -1.470 54.198 56.400 -1.221 0.000 0.930 184 E CB -0.278 28.754 29.700 -1.114 0.000 0.936 184 E HN 0.270 nan 8.360 nan 0.000 0.466 185 P HA -0.061 nan 4.420 nan 0.000 0.265 185 P C -0.957 176.068 177.300 -0.459 0.000 1.187 185 P CA 0.259 63.048 63.100 -0.518 0.000 0.766 185 P CB 0.559 31.980 31.700 -0.466 0.000 0.820 186 Q N 2.862 122.455 119.800 -0.344 0.000 2.215 186 Q HA 0.456 2.327 4.340 -4.114 0.000 0.256 186 Q C -2.130 173.658 176.000 -0.354 0.000 0.972 186 Q CA -2.109 53.507 55.803 -0.312 0.000 0.889 186 Q CB -0.030 28.581 28.738 -0.212 0.000 1.281 186 Q HN 0.308 nan 8.270 nan 0.000 0.456 187 P HA 0.008 nan 4.420 nan 0.000 0.269 187 P C -0.799 176.403 177.300 -0.163 0.000 1.217 187 P CA 0.187 63.062 63.100 -0.376 0.000 0.783 187 P CB 0.179 31.712 31.700 -0.279 0.000 0.898 188 Y N 0.844 121.261 120.300 0.196 0.000 2.379 188 Y HA 0.164 2.244 4.550 -4.115 0.000 0.337 188 Y C -1.191 174.754 175.900 0.075 0.000 1.238 188 Y CA -2.201 55.969 58.100 0.117 0.000 1.405 188 Y CB -0.963 37.568 38.460 0.120 0.000 1.310 188 Y HN 0.302 nan 8.280 nan 0.000 0.569 189 P HA -0.172 nan 4.420 nan 0.000 0.253 189 P C -0.206 177.165 177.300 0.117 0.000 1.170 189 P CA 0.777 63.946 63.100 0.115 0.000 0.806 189 P CB -0.002 31.747 31.700 0.082 0.000 0.775 190 N N 3.946 122.705 118.700 0.098 0.000 2.754 190 N HA -0.220 2.051 4.740 -4.114 0.000 0.248 190 N C -0.122 175.463 175.510 0.125 0.000 1.093 190 N CA 0.953 54.056 53.050 0.087 0.000 0.699 190 N CB -1.861 36.658 38.487 0.053 0.000 1.016 190 N HN 0.356 nan 8.380 nan 0.000 0.552 191 N N -2.156 116.671 118.700 0.212 0.000 2.661 191 N HA -0.193 2.078 4.740 -4.114 0.000 0.249 191 N C -1.046 174.575 175.510 0.184 0.000 1.142 191 N CA 1.816 55.044 53.050 0.296 0.000 0.727 191 N CB -1.596 37.041 38.487 0.250 0.000 1.099 191 N HN 0.575 nan 8.380 nan 0.000 0.558 192 T N 0.568 115.200 114.554 0.130 0.000 2.753 192 T HA 0.196 2.077 4.350 -4.114 0.000 0.297 192 T C 0.738 175.308 174.700 -0.217 0.000 0.981 192 T CA -0.653 61.431 62.100 -0.027 0.000 0.956 192 T CB 1.559 70.412 68.868 -0.026 0.000 0.936 192 T HN 0.141 nan 8.240 nan 0.000 0.463 193 R N 3.081 123.323 120.500 -0.430 0.000 2.489 193 R HA 0.325 2.196 4.340 -4.114 0.000 0.287 193 R C -0.960 175.001 176.300 -0.565 0.000 1.053 193 R CA -0.004 55.547 56.100 -0.916 0.000 1.036 193 R CB 0.218 30.140 30.300 -0.629 0.000 0.966 193 R HN 0.390 nan 8.270 nan 0.000 0.432 194 V N 4.521 124.091 119.914 -0.573 0.000 2.604 194 V HA 0.276 1.927 4.120 -4.114 0.000 0.305 194 V C 1.022 177.063 176.094 -0.089 0.000 1.043 194 V CA -0.204 61.960 62.300 -0.227 0.000 0.888 194 V CB 1.557 33.315 31.823 -0.108 0.000 0.995 194 V HN 1.045 nan 8.190 nan 0.000 0.429 195 A N 3.249 126.058 122.820 -0.019 0.000 1.892 195 A HA -0.164 1.687 4.320 -4.114 0.000 0.218 195 A C 2.138 179.867 177.584 0.243 0.000 1.188 195 A CA 2.865 54.980 52.037 0.130 0.000 0.631 195 A CB -0.752 18.302 19.000 0.090 0.000 0.822 195 A HN 0.861 nan 8.150 nan 0.000 0.447 196 T N 0.038 114.674 114.554 0.137 0.000 2.684 196 T HA -0.123 1.759 4.350 -4.114 0.000 0.267 196 T C 1.746 176.505 174.700 0.099 0.000 1.036 196 T CA 1.702 63.869 62.100 0.112 0.000 1.148 196 T CB -0.338 68.578 68.868 0.080 0.000 0.863 196 T HN 0.239 nan 8.240 nan 0.000 0.436 197 L N -0.510 120.798 121.223 0.142 0.000 2.109 197 L HA 0.093 1.964 4.340 -4.114 0.000 0.207 197 L C 2.113 179.178 176.870 0.325 0.000 1.086 197 L CA 1.167 56.136 54.840 0.214 0.000 0.760 197 L CB -0.837 41.422 42.059 0.335 0.000 0.910 197 L HN 0.444 nan 8.230 nan 0.000 0.437 198 W N 0.656 122.056 121.300 0.167 0.000 2.335 198 W HA -0.219 1.969 4.660 -4.121 0.000 0.311 198 W C 2.895 179.429 176.519 0.025 0.000 1.213 198 W CA 1.906 59.364 57.345 0.189 0.000 1.274 198 W CB -0.166 29.340 29.460 0.077 0.000 1.148 198 W HN -0.013 nan 8.180 nan 0.000 0.498 199 R N -0.014 120.380 120.500 -0.177 0.000 2.062 199 R HA -0.204 1.667 4.340 -4.114 0.000 0.229 199 R C 2.323 178.031 176.300 -0.987 0.000 1.128 199 R CA 1.871 57.453 56.100 -0.863 0.000 0.960 199 R CB -0.664 29.437 30.300 -0.332 0.000 0.855 199 R HN 0.172 nan 8.270 nan 0.000 0.432 200 Q N 0.770 120.268 119.800 -0.503 0.000 2.135 200 Q HA -0.186 1.685 4.340 -4.114 0.000 0.204 200 Q C 1.987 177.748 176.000 -0.398 0.000 0.981 200 Q CA 2.006 57.546 55.803 -0.437 0.000 0.856 200 Q CB -0.233 28.381 28.738 -0.206 0.000 0.902 200 Q HN 0.366 nan 8.270 nan 0.000 0.425 201 M N -0.700 118.711 119.600 -0.315 0.000 2.086 201 M HA -0.205 1.806 4.480 -4.114 0.000 0.261 201 M C 1.813 177.945 176.300 -0.279 0.000 1.067 201 M CA 1.971 57.123 55.300 -0.246 0.000 1.116 201 M CB -0.296 32.217 32.600 -0.144 0.000 1.348 201 M HN 0.482 nan 8.290 nan 0.000 0.407 202 Y N -0.540 119.504 120.300 -0.428 0.000 2.395 202 Y HA 0.066 2.151 4.550 -4.110 0.000 0.293 202 Y C 1.560 177.164 175.900 -0.493 0.000 1.123 202 Y CA 0.713 58.518 58.100 -0.493 0.000 1.227 202 Y CB -1.263 36.793 38.460 -0.674 0.000 1.012 202 Y HN 0.223 nan 8.280 nan 0.000 0.552 203 I N 0.992 121.183 120.570 -0.631 0.000 2.252 203 I HA -0.250 1.451 4.170 -4.114 0.000 0.245 203 I C 1.894 177.843 176.117 -0.279 0.000 1.102 203 I CA 1.619 62.626 61.300 -0.488 0.000 1.385 203 I CB -0.421 37.163 38.000 -0.693 0.000 1.064 203 I HN 0.136 nan 8.210 nan 0.000 0.414 204 D N 0.469 120.734 120.400 -0.225 0.000 2.123 204 D HA -0.184 1.988 4.640 -4.114 0.000 0.196 204 D C 2.248 178.523 176.300 -0.040 0.000 0.992 204 D CA 1.384 55.334 54.000 -0.083 0.000 0.833 204 D CB -0.416 40.331 40.800 -0.089 0.000 0.954 204 D HN 0.378 nan 8.370 nan 0.000 0.455 205 C N 0.124 119.376 119.300 -0.081 0.000 2.446 205 C HA -0.038 1.953 4.460 -4.114 0.000 0.279 205 C C 2.619 177.464 174.990 -0.242 0.000 1.366 205 C CA 0.071 59.058 59.018 -0.051 0.000 1.763 205 C CB -0.694 27.030 27.740 -0.028 0.000 1.929 205 C HN 0.319 nan 8.230 nan 0.000 0.509 206 Q N 1.553 121.133 119.800 -0.368 0.000 2.119 206 Q HA -0.124 1.748 4.340 -4.114 0.000 0.201 206 Q C 1.965 177.403 176.000 -0.937 0.000 0.972 206 Q CA 1.648 57.056 55.803 -0.657 0.000 0.847 206 Q CB -0.292 28.037 28.738 -0.682 0.000 0.903 206 Q HN 0.632 nan 8.270 nan 0.000 0.433 207 E N -0.862 118.993 120.200 -0.575 0.000 2.150 207 E HA -0.128 1.753 4.350 -4.114 0.000 0.193 207 E C 1.904 178.086 176.600 -0.698 0.000 0.985 207 E CA 1.106 57.237 56.400 -0.449 0.000 0.814 207 E CB 0.078 29.846 29.700 0.114 0.000 0.752 207 E HN 0.193 nan 8.360 nan 0.000 0.466 208 V N 1.437 121.104 119.914 -0.412 0.000 2.515 208 V HA -0.234 1.417 4.120 -4.114 0.000 0.250 208 V C 2.129 177.894 176.094 -0.547 0.000 1.058 208 V CA 1.302 63.395 62.300 -0.344 0.000 1.064 208 V CB -0.288 31.484 31.823 -0.085 0.000 0.675 208 V HN 0.255 nan 8.190 nan 0.000 0.461 209 I N -1.183 119.027 120.570 -0.600 0.000 2.142 209 I HA -0.255 1.446 4.170 -4.114 0.000 0.240 209 I C 2.450 178.064 176.117 -0.838 0.000 1.078 209 I CA 1.745 62.670 61.300 -0.625 0.000 1.343 209 I CB -0.524 37.117 38.000 -0.600 0.000 1.046 209 I HN 0.258 nan 8.210 nan 0.000 0.405 210 Y N 1.019 120.722 120.300 -0.995 0.000 2.097 210 Y HA -0.238 1.842 4.550 -4.117 0.000 0.282 210 Y C 2.707 177.580 175.900 -1.712 0.000 1.152 210 Y CA 0.823 58.111 58.100 -1.352 0.000 1.136 210 Y CB -1.513 36.500 38.460 -0.745 0.000 0.975 210 Y HN 0.136 nan 8.280 nan 0.000 0.498 211 A N 0.321 121.974 122.820 -1.945 0.000 1.858 211 A HA -0.170 1.682 4.320 -4.114 0.000 0.216 211 A C 2.393 179.268 177.584 -1.183 0.000 1.190 211 A CA 1.978 52.789 52.037 -2.042 0.000 0.617 211 A CB -1.185 16.112 19.000 -2.839 0.000 0.827 211 A HN 0.418 nan 8.150 nan 0.000 0.443 212 I N -1.093 118.938 120.570 -0.899 0.000 2.142 212 I HA -0.264 1.437 4.170 -4.114 0.000 0.240 212 I C 2.779 178.665 176.117 -0.385 0.000 1.078 212 I CA 1.899 62.919 61.300 -0.467 0.000 1.343 212 I CB -0.333 37.505 38.000 -0.269 0.000 1.046 212 I HN 0.387 nan 8.210 nan 0.000 0.405 213 R N 0.381 120.553 120.500 -0.547 0.000 2.066 213 R HA -0.171 1.700 4.340 -4.114 0.000 0.232 213 R C 2.305 178.351 176.300 -0.423 0.000 1.131 213 R CA 1.808 57.568 56.100 -0.567 0.000 0.955 213 R CB -0.330 29.340 30.300 -1.049 0.000 0.851 213 R HN 0.498 nan 8.270 nan 0.000 0.432 214 H N -0.336 118.487 119.070 -0.412 0.000 2.436 214 H HA -0.007 2.079 4.556 -4.116 0.000 0.294 214 H C 2.138 177.429 175.328 -0.062 0.000 1.048 214 H CA 0.980 56.918 56.048 -0.184 0.000 1.353 214 H CB 0.142 29.759 29.762 -0.243 0.000 1.414 214 H HN 0.159 nan 8.280 nan 0.000 0.536 215 L N 0.448 121.638 121.223 -0.055 0.000 2.056 215 L HA -0.141 1.731 4.340 -4.114 0.000 0.207 215 L C 2.858 179.794 176.870 0.109 0.000 1.078 215 L CA 0.822 55.675 54.840 0.021 0.000 0.749 215 L CB -0.395 41.623 42.059 -0.067 0.000 0.901 215 L HN 0.331 nan 8.230 nan 0.000 0.433 216 A N 0.339 123.199 122.820 0.068 0.000 1.877 216 A HA -0.195 1.657 4.320 -4.114 0.000 0.216 216 A C 2.236 179.998 177.584 0.298 0.000 1.186 216 A CA 1.624 53.766 52.037 0.174 0.000 0.620 216 A CB -0.705 18.409 19.000 0.190 0.000 0.822 216 A HN 0.340 nan 8.150 nan 0.000 0.443 217 I N -0.357 120.313 120.570 0.165 0.000 2.179 217 I HA -0.298 1.403 4.170 -4.114 0.000 0.242 217 I C 3.024 179.477 176.117 0.560 0.000 1.088 217 I CA 1.098 62.527 61.300 0.215 0.000 1.357 217 I CB -0.428 37.593 38.000 0.036 0.000 1.051 217 I HN 0.382 nan 8.210 nan 0.000 0.409 218 A N 1.037 124.246 122.820 0.647 0.000 1.883 218 A HA -0.169 1.683 4.320 -4.114 0.000 0.217 218 A C 2.453 180.336 177.584 0.499 0.000 1.186 218 A CA 2.041 54.561 52.037 0.805 0.000 0.624 218 A CB -1.567 17.852 19.000 0.698 0.000 0.822 218 A HN 0.467 nan 8.150 nan 0.000 0.444 219 G N -0.465 108.546 108.800 0.351 0.000 2.529 219 G HA2 -0.299 1.193 3.960 -4.114 0.000 0.219 219 G HA3 -0.299 1.193 3.960 -4.114 0.000 0.219 219 G C 1.686 176.715 174.900 0.216 0.000 1.177 219 G CA 1.091 46.328 45.100 0.229 0.000 0.773 219 G HN 0.435 nan 8.290 nan 0.000 0.573 220 R N -0.032 120.646 120.500 0.296 0.000 2.090 220 R HA 0.069 1.941 4.340 -4.114 0.000 0.228 220 R C 2.721 179.147 176.300 0.210 0.000 1.110 220 R CA 0.719 56.978 56.100 0.266 0.000 0.973 220 R CB -1.225 29.314 30.300 0.400 0.000 0.869 220 R HN 0.380 nan 8.270 nan 0.000 0.440 221 V N 1.444 121.503 119.914 0.242 0.000 2.358 221 V HA -0.132 1.520 4.120 -4.114 0.000 0.246 221 V C 2.211 178.278 176.094 -0.045 0.000 1.047 221 V CA 1.395 63.730 62.300 0.060 0.000 1.035 221 V CB -0.311 31.410 31.823 -0.169 0.000 0.658 221 V HN 0.174 nan 8.190 nan 0.000 0.452 222 L N 0.174 121.428 121.223 0.052 0.000 2.558 222 L HA 0.320 2.191 4.340 -4.114 0.000 0.225 222 L C 1.677 178.578 176.870 0.052 0.000 1.128 222 L CA 0.748 55.615 54.840 0.046 0.000 0.868 222 L CB -0.538 41.613 42.059 0.153 0.000 1.006 222 L HN 0.524 nan 8.230 nan 0.000 0.454 223 G N 1.431 110.271 108.800 0.067 0.000 2.249 223 G HA2 -0.315 1.176 3.960 -4.114 0.000 0.273 223 G HA3 -0.315 1.176 3.960 -4.114 0.000 0.273 223 G C 0.214 175.157 174.900 0.072 0.000 1.036 223 G CA -0.013 45.123 45.100 0.060 0.000 0.824 223 G HN 0.411 nan 8.290 nan 0.000 0.504 224 R N -0.073 120.484 120.500 0.096 0.000 2.233 224 R HA 0.307 2.179 4.340 -4.114 0.000 0.334 224 R C 0.447 176.793 176.300 0.076 0.000 1.037 224 R CA -0.706 55.454 56.100 0.100 0.000 0.920 224 R CB 0.681 31.064 30.300 0.139 0.000 1.137 224 R HN 0.067 nan 8.270 nan 0.000 0.492 225 D N 1.815 122.256 120.400 0.069 0.000 2.182 225 D HA -0.207 1.965 4.640 -4.114 0.000 0.201 225 D C 1.502 177.839 176.300 0.062 0.000 0.986 225 D CA 1.482 55.517 54.000 0.058 0.000 0.847 225 D CB 0.191 41.077 40.800 0.143 0.000 0.942 225 D HN 0.608 nan 8.370 nan 0.000 0.467 226 D N 0.354 120.810 120.400 0.092 0.000 2.178 226 D HA -0.168 2.003 4.640 -4.114 0.000 0.201 226 D C 2.135 178.500 176.300 0.108 0.000 0.980 226 D CA 0.615 54.678 54.000 0.106 0.000 0.842 226 D CB -0.497 40.368 40.800 0.109 0.000 0.948 226 D HN 0.289 nan 8.370 nan 0.000 0.472 227 L N 0.023 121.310 121.223 0.106 0.000 2.095 227 L HA -0.023 1.848 4.340 -4.114 0.000 0.204 227 L C 2.883 179.793 176.870 0.067 0.000 1.080 227 L CA 0.354 55.267 54.840 0.122 0.000 0.759 227 L CB -0.353 41.816 42.059 0.183 0.000 0.914 227 L HN -0.025 nan 8.230 nan 0.000 0.439 228 L N -0.212 120.990 121.223 -0.034 0.000 2.042 228 L HA -0.255 1.617 4.340 -4.114 0.000 0.210 228 L C 2.236 179.052 176.870 -0.090 0.000 1.076 228 L CA 1.210 55.919 54.840 -0.219 0.000 0.749 228 L CB -0.710 40.887 42.059 -0.770 0.000 0.893 228 L HN 0.293 nan 8.230 nan 0.000 0.432 229 D N 0.221 120.650 120.400 0.048 0.000 2.117 229 D HA -0.156 2.015 4.640 -4.114 0.000 0.197 229 D C 2.239 178.643 176.300 0.173 0.000 0.987 229 D CA 1.558 55.683 54.000 0.208 0.000 0.829 229 D CB -0.081 40.837 40.800 0.198 0.000 0.961 229 D HN 0.318 nan 8.370 nan 0.000 0.460 230 A N 0.328 123.245 122.820 0.162 0.000 1.902 230 A HA -0.164 1.688 4.320 -4.114 0.000 0.217 230 A C 2.319 180.069 177.584 0.277 0.000 1.181 230 A CA 2.060 54.229 52.037 0.221 0.000 0.623 230 A CB -0.771 18.356 19.000 0.212 0.000 0.818 230 A HN 0.225 nan 8.150 nan 0.000 0.443 231 S N -0.563 115.230 115.700 0.156 0.000 2.356 231 S HA -0.236 1.765 4.470 -4.114 0.000 0.223 231 S C 2.248 176.943 174.600 0.159 0.000 1.032 231 S CA 1.646 59.905 58.200 0.098 0.000 1.005 231 S CB -0.424 62.804 63.200 0.047 0.000 0.867 231 S HN 0.616 nan 8.310 nan 0.000 0.449 232 R N 0.826 121.424 120.500 0.163 0.000 2.103 232 R HA -0.152 1.720 4.340 -4.114 0.000 0.242 232 R C 2.452 178.832 176.300 0.132 0.000 1.142 232 R CA 1.937 58.132 56.100 0.159 0.000 0.960 232 R CB -0.368 30.055 30.300 0.205 0.000 0.858 232 R HN 0.435 nan 8.270 nan 0.000 0.439 233 K N -0.419 120.073 120.400 0.153 0.000 2.032 233 K HA -0.192 1.660 4.320 -4.114 0.000 0.209 233 K C 1.834 178.466 176.600 0.052 0.000 1.048 233 K CA 2.006 58.346 56.287 0.088 0.000 0.927 233 K CB -0.263 32.286 32.500 0.081 0.000 0.712 233 K HN 0.228 nan 8.250 nan 0.000 0.441 234 W N 0.899 122.168 121.300 -0.052 0.000 2.358 234 W HA -0.154 2.038 4.660 -4.113 0.000 0.303 234 W C 2.019 178.431 176.519 -0.179 0.000 1.208 234 W CA 0.618 57.894 57.345 -0.114 0.000 1.274 234 W CB -0.706 28.666 29.460 -0.146 0.000 1.138 234 W HN 0.171 nan 8.180 nan 0.000 0.515 235 L N 0.207 121.493 121.223 0.105 0.000 2.012 235 L HA -0.181 1.691 4.340 -4.114 0.000 0.210 235 L C 2.128 178.959 176.870 -0.065 0.000 1.073 235 L CA 1.945 56.784 54.840 -0.002 0.000 0.748 235 L CB -1.048 41.041 42.059 0.050 0.000 0.891 235 L HN -0.010 nan 8.230 nan 0.000 0.431 236 L N -0.827 120.378 121.223 -0.030 0.000 2.141 236 L HA -0.138 1.733 4.340 -4.114 0.000 0.209 236 L C 2.653 179.462 176.870 -0.102 0.000 1.094 236 L CA 0.980 55.791 54.840 -0.049 0.000 0.763 236 L CB -1.001 41.049 42.059 -0.015 0.000 0.908 236 L HN 0.370 nan 8.230 nan 0.000 0.437 237 A N -0.152 122.589 122.820 -0.132 0.000 1.902 237 A HA -0.123 1.728 4.320 -4.114 0.000 0.217 237 A C 2.332 179.651 177.584 -0.441 0.000 1.181 237 A CA 1.695 53.634 52.037 -0.164 0.000 0.623 237 A CB -0.708 18.205 19.000 -0.144 0.000 0.818 237 A HN 0.186 nan 8.150 nan 0.000 0.443 238 V N -0.227 119.275 119.914 -0.687 0.000 2.379 238 V HA -0.168 1.483 4.120 -4.114 0.000 0.245 238 V C 2.991 178.679 176.094 -0.677 0.000 1.044 238 V CA 1.643 63.166 62.300 -1.295 0.000 1.036 238 V CB -1.147 30.076 31.823 -1.000 0.000 0.664 238 V HN 0.588 nan 8.190 nan 0.000 0.453 239 A N 0.016 122.636 122.820 -0.333 0.000 2.076 239 A HA -0.053 1.798 4.320 -4.114 0.000 0.220 239 A C 2.217 179.752 177.584 -0.081 0.000 1.160 239 A CA 1.861 53.805 52.037 -0.155 0.000 0.653 239 A CB -0.470 18.477 19.000 -0.088 0.000 0.801 239 A HN 0.584 nan 8.150 nan 0.000 0.455 240 A N -1.845 120.928 122.820 -0.078 0.000 2.218 240 A HA 0.269 2.121 4.320 -4.114 0.000 0.209 240 A C 0.317 178.006 177.584 0.175 0.000 1.168 240 A CA -0.395 51.663 52.037 0.036 0.000 0.804 240 A CB -0.284 18.739 19.000 0.037 0.000 0.834 240 A HN 0.529 nan 8.150 nan 0.000 0.482 241 W N 0.854 122.125 121.300 -0.049 0.000 2.170 241 W HA 0.248 2.438 4.660 -4.116 0.000 0.342 241 W C 0.097 176.578 176.519 -0.063 0.000 1.294 241 W CA -0.961 56.346 57.345 -0.064 0.000 1.246 241 W CB -0.101 29.317 29.460 -0.071 0.000 1.156 241 W HN 0.169 nan 8.180 nan 0.000 0.572 242 D N 1.465 121.941 120.400 0.126 0.000 2.363 242 D HA -0.043 2.129 4.640 -4.114 0.000 0.263 242 D C 1.544 177.864 176.300 0.033 0.000 1.258 242 D CA 0.352 54.372 54.000 0.033 0.000 0.907 242 D CB 0.675 41.449 40.800 -0.045 0.000 1.107 242 D HN 0.398 nan 8.370 nan 0.000 0.495 243 T N 1.163 115.739 114.554 0.037 0.000 2.977 243 T HA -0.122 1.759 4.350 -4.114 0.000 0.271 243 T C 1.176 175.883 174.700 0.011 0.000 1.105 243 T CA 0.939 63.058 62.100 0.031 0.000 1.116 243 T CB 0.023 68.908 68.868 0.028 0.000 0.878 243 T HN 0.361 nan 8.240 nan 0.000 0.509 244 K N 0.660 121.055 120.400 -0.008 0.000 2.414 244 K HA 0.384 2.235 4.320 -4.114 0.000 0.204 244 K C 1.376 177.934 176.600 -0.071 0.000 1.026 244 K CA -0.289 55.987 56.287 -0.018 0.000 1.108 244 K CB 0.837 33.331 32.500 -0.009 0.000 0.855 244 K HN 0.408 nan 8.250 nan 0.000 0.517 245 G N 0.439 109.173 108.800 -0.111 0.000 2.666 245 G HA2 0.249 1.741 3.960 -4.114 0.000 0.207 245 G HA3 0.249 1.741 3.960 -4.114 0.000 0.207 245 G C 0.939 175.603 174.900 -0.393 0.000 1.481 245 G CA 0.162 45.121 45.100 -0.235 0.000 1.071 245 G HN 0.122 nan 8.290 nan 0.000 0.572 246 A N -1.067 121.430 122.820 -0.538 0.000 2.014 246 A HA 0.067 1.918 4.320 -4.114 0.000 0.218 246 A C 2.248 179.681 177.584 -0.251 0.000 1.163 246 A CA 2.379 53.989 52.037 -0.711 0.000 0.652 246 A CB -0.823 17.779 19.000 -0.663 0.000 0.808 246 A HN 0.911 nan 8.150 nan 0.000 0.449 247 T N -0.951 113.500 114.554 -0.173 0.000 3.188 247 T HA 0.237 2.119 4.350 -4.114 0.000 0.250 247 T C 0.725 175.429 174.700 0.006 0.000 1.077 247 T CA 0.383 62.458 62.100 -0.042 0.000 0.967 247 T CB -0.884 68.019 68.868 0.059 0.000 1.006 247 T HN 0.477 nan 8.240 nan 0.000 0.552 248 S N 0.478 116.180 115.700 0.003 0.000 2.593 248 S HA 0.340 2.341 4.470 -4.114 0.000 0.269 248 S C 1.301 175.908 174.600 0.011 0.000 1.334 248 S CA -1.006 57.207 58.200 0.022 0.000 1.015 248 S CB 1.546 64.766 63.200 0.033 0.000 0.912 248 S HN 0.334 nan 8.310 nan 0.000 0.541 249 R N 1.035 121.524 120.500 -0.020 0.000 2.083 249 R HA -0.153 1.718 4.340 -4.114 0.000 0.237 249 R C 2.430 178.696 176.300 -0.056 0.000 1.137 249 R CA 1.620 57.665 56.100 -0.092 0.000 0.951 249 R CB -1.180 29.090 30.300 -0.050 0.000 0.851 249 R HN 0.895 nan 8.270 nan 0.000 0.434 250 A N -0.403 122.426 122.820 0.015 0.000 1.940 250 A HA -0.225 1.627 4.320 -4.114 0.000 0.219 250 A C 1.958 179.584 177.584 0.071 0.000 1.176 250 A CA 1.346 53.408 52.037 0.043 0.000 0.631 250 A CB -0.639 18.402 19.000 0.068 0.000 0.814 250 A HN 0.561 nan 8.150 nan 0.000 0.446 251 Y N -0.707 119.583 120.300 -0.016 0.000 2.231 251 Y HA 0.125 2.207 4.550 -4.114 0.000 0.294 251 Y C 0.573 176.508 175.900 0.059 0.000 1.120 251 Y CA 1.455 59.561 58.100 0.010 0.000 1.141 251 Y CB 0.412 38.851 38.460 -0.036 0.000 1.022 251 Y HN 0.383 nan 8.280 nan 0.000 0.523 252 N N 0.457 119.262 118.700 0.174 0.000 2.621 252 N HA 0.063 2.334 4.740 -4.114 0.000 0.271 252 N C -0.517 174.956 175.510 -0.061 0.000 1.181 252 N CA 0.086 53.219 53.050 0.140 0.000 0.805 252 N CB 0.561 39.177 38.487 0.215 0.000 1.351 252 N HN 0.352 nan 8.380 nan 0.000 0.539 253 D N 2.042 122.335 120.400 -0.179 0.000 2.178 253 D HA -0.155 2.017 4.640 -4.114 0.000 0.201 253 D C 0.813 176.516 176.300 -0.995 0.000 0.980 253 D CA 1.195 54.818 54.000 -0.629 0.000 0.842 253 D CB 0.284 40.692 40.800 -0.654 0.000 0.948 253 D HN 0.437 nan 8.370 nan 0.000 0.472 254 E N 0.851 120.757 120.200 -0.490 0.000 2.077 254 E HA -0.108 1.774 4.350 -4.114 0.000 0.193 254 E C 2.222 178.610 176.600 -0.353 0.000 0.989 254 E CA 1.317 57.448 56.400 -0.447 0.000 0.800 254 E CB -0.404 28.993 29.700 -0.506 0.000 0.746 254 E HN 0.490 nan 8.360 nan 0.000 0.452 255 A N 1.207 123.887 122.820 -0.233 0.000 1.873 255 A HA -0.031 1.820 4.320 -4.114 0.000 0.215 255 A C 2.525 180.048 177.584 -0.102 0.000 1.186 255 A CA 1.819 53.776 52.037 -0.133 0.000 0.616 255 A CB -1.128 17.824 19.000 -0.080 0.000 0.823 255 A HN 0.329 nan 8.150 nan 0.000 0.442 256 G N -0.673 108.040 108.800 -0.145 0.000 2.476 256 G HA2 -0.210 1.282 3.960 -4.114 0.000 0.218 256 G HA3 -0.210 1.282 3.960 -4.114 0.000 0.218 256 G C 1.327 176.233 174.900 0.010 0.000 1.164 256 G CA 1.258 46.307 45.100 -0.085 0.000 0.768 256 G HN 0.353 nan 8.290 nan 0.000 0.560 257 F N 1.095 120.981 119.950 -0.107 0.000 2.091 257 F HA -0.035 2.024 4.527 -4.113 0.000 0.299 257 F C 2.878 178.586 175.800 -0.153 0.000 1.103 257 F CA 1.221 59.132 58.000 -0.149 0.000 1.228 257 F CB -0.873 38.001 39.000 -0.210 0.000 0.984 257 F HN 0.068 nan 8.300 nan 0.000 0.477 258 R N -0.341 120.167 120.500 0.014 0.000 2.115 258 R HA -0.063 1.808 4.340 -4.114 0.000 0.226 258 R C 2.216 178.473 176.300 -0.072 0.000 1.100 258 R CA 1.008 57.054 56.100 -0.090 0.000 0.980 258 R CB -0.624 29.562 30.300 -0.189 0.000 0.875 258 R HN 0.133 nan 8.270 nan 0.000 0.445 259 V N 0.345 120.243 119.914 -0.027 0.000 2.343 259 V HA -0.219 1.432 4.120 -4.114 0.000 0.247 259 V C 2.249 178.321 176.094 -0.036 0.000 1.051 259 V CA 1.564 63.846 62.300 -0.031 0.000 1.036 259 V CB -0.281 31.568 31.823 0.042 0.000 0.654 259 V HN 0.126 nan 8.190 nan 0.000 0.451 260 V N -0.248 119.666 119.914 -0.000 0.000 2.332 260 V HA -0.238 1.413 4.120 -4.114 0.000 0.248 260 V C 2.417 178.518 176.094 0.010 0.000 1.055 260 V CA 2.026 64.329 62.300 0.003 0.000 1.038 260 V CB -0.454 31.379 31.823 0.017 0.000 0.651 260 V HN 0.416 nan 8.190 nan 0.000 0.450 261 V N 0.183 120.109 119.914 0.020 0.000 2.343 261 V HA -0.243 1.409 4.120 -4.114 0.000 0.247 261 V C 2.696 178.884 176.094 0.156 0.000 1.051 261 V CA 1.945 64.300 62.300 0.091 0.000 1.036 261 V CB -1.143 30.731 31.823 0.086 0.000 0.654 261 V HN 0.561 nan 8.190 nan 0.000 0.451 262 A N -0.109 122.719 122.820 0.014 0.000 1.883 262 A HA -0.183 1.669 4.320 -4.114 0.000 0.217 262 A C 2.217 179.812 177.584 0.017 0.000 1.186 262 A CA 1.930 53.939 52.037 -0.046 0.000 0.624 262 A CB -0.591 18.304 19.000 -0.176 0.000 0.822 262 A HN 0.503 nan 8.150 nan 0.000 0.444 263 L N -0.899 120.321 121.223 -0.004 0.000 2.083 263 L HA -0.189 1.682 4.340 -4.114 0.000 0.209 263 L C 3.094 180.023 176.870 0.100 0.000 1.083 263 L CA 0.967 55.819 54.840 0.019 0.000 0.752 263 L CB -0.561 41.481 42.059 -0.028 0.000 0.899 263 L HN 0.457 nan 8.230 nan 0.000 0.433 264 A N -0.416 122.454 122.820 0.084 0.000 1.877 264 A HA -0.225 1.627 4.320 -4.114 0.000 0.216 264 A C 1.914 179.558 177.584 0.100 0.000 1.186 264 A CA 1.500 53.575 52.037 0.064 0.000 0.620 264 A CB -0.981 17.991 19.000 -0.048 0.000 0.822 264 A HN 0.474 nan 8.150 nan 0.000 0.443 265 W N -0.194 121.158 121.300 0.086 0.000 2.358 265 W HA 0.017 2.206 4.660 -4.119 0.000 0.303 265 W C 2.579 179.190 176.519 0.153 0.000 1.208 265 W CA 1.261 58.665 57.345 0.098 0.000 1.274 265 W CB -0.676 28.731 29.460 -0.088 0.000 1.138 265 W HN 0.384 nan 8.180 nan 0.000 0.515 266 G N -0.714 108.268 108.800 0.304 0.000 2.433 266 G HA2 -0.376 1.115 3.960 -4.114 0.000 0.216 266 G HA3 -0.376 1.115 3.960 -4.114 0.000 0.216 266 G C 1.251 176.306 174.900 0.258 0.000 1.186 266 G CA 1.247 46.484 45.100 0.229 0.000 0.779 266 G HN 0.287 nan 8.290 nan 0.000 0.543 267 Y N 1.575 121.953 120.300 0.129 0.000 2.114 267 Y HA -0.196 1.885 4.550 -4.115 0.000 0.282 267 Y C 2.491 178.485 175.900 0.157 0.000 1.165 267 Y CA 2.231 60.397 58.100 0.110 0.000 1.148 267 Y CB -0.380 38.128 38.460 0.080 0.000 0.972 267 Y HN 0.345 nan 8.280 nan 0.000 0.504 268 D N -1.343 119.209 120.400 0.253 0.000 2.084 268 D HA -0.223 1.949 4.640 -4.114 0.000 0.196 268 D C 1.585 178.017 176.300 0.219 0.000 0.985 268 D CA 1.862 56.010 54.000 0.247 0.000 0.826 268 D CB -0.466 40.505 40.800 0.284 0.000 0.978 268 D HN 0.386 nan 8.370 nan 0.000 0.456 269 W N -0.098 121.288 121.300 0.142 0.000 2.863 269 W HA 0.298 2.489 4.660 -4.114 0.000 0.258 269 W C 1.360 177.948 176.519 0.115 0.000 1.298 269 W CA 0.149 57.591 57.345 0.162 0.000 1.451 269 W CB 0.073 29.681 29.460 0.247 0.000 1.107 269 W HN 0.014 nan 8.180 nan 0.000 0.641 270 L N -0.967 120.412 121.223 0.261 0.000 2.728 270 L HA 0.090 1.962 4.340 -4.114 0.000 0.238 270 L C 1.763 178.671 176.870 0.062 0.000 1.143 270 L CA -0.274 54.671 54.840 0.176 0.000 0.937 270 L CB -0.786 41.378 42.059 0.174 0.000 1.225 270 L HN -0.069 nan 8.230 nan 0.000 0.507 271 Y N 1.934 122.110 120.300 -0.207 0.000 2.030 271 Y HA -0.403 1.679 4.550 -4.114 0.000 0.272 271 Y C 2.205 177.964 175.900 -0.236 0.000 1.185 271 Y CA 2.300 60.130 58.100 -0.451 0.000 1.120 271 Y CB 0.076 38.075 38.460 -0.768 0.000 0.955 271 Y HN 0.266 nan 8.280 nan 0.000 0.495 272 D N -2.069 118.365 120.400 0.058 0.000 2.269 272 D HA -0.135 2.037 4.640 -4.114 0.000 0.208 272 D C 1.816 178.129 176.300 0.021 0.000 0.963 272 D CA 1.403 55.425 54.000 0.037 0.000 0.864 272 D CB -0.365 40.502 40.800 0.111 0.000 0.936 272 D HN 0.538 nan 8.370 nan 0.000 0.505 273 H N 0.112 119.163 119.070 -0.031 0.000 2.428 273 H HA 0.128 2.215 4.556 -4.114 0.000 0.296 273 H C 0.583 175.885 175.328 -0.044 0.000 1.062 273 H CA 0.464 56.505 56.048 -0.012 0.000 1.350 273 H CB 0.037 29.819 29.762 0.034 0.000 1.403 273 H HN -0.026 nan 8.280 nan 0.000 0.533 274 L N 1.467 122.645 121.223 -0.075 0.000 2.439 274 L HA 0.099 1.970 4.340 -4.114 0.000 0.269 274 L C 0.827 177.585 176.870 -0.187 0.000 1.179 274 L CA -0.326 54.431 54.840 -0.138 0.000 0.828 274 L CB 0.909 42.884 42.059 -0.140 0.000 1.106 274 L HN 0.294 nan 8.230 nan 0.000 0.467 275 S N 0.369 115.978 115.700 -0.151 0.000 2.600 275 S HA 0.013 2.015 4.470 -4.114 0.000 0.265 275 S C 0.894 175.412 174.600 -0.136 0.000 1.325 275 S CA -0.422 57.700 58.200 -0.130 0.000 1.002 275 S CB 1.290 64.434 63.200 -0.094 0.000 0.921 275 S HN 0.706 nan 8.310 nan 0.000 0.554 276 E N 0.957 121.086 120.200 -0.118 0.000 2.097 276 E HA -0.252 1.630 4.350 -4.114 0.000 0.196 276 E C 1.362 177.922 176.600 -0.067 0.000 1.000 276 E CA 2.177 58.514 56.400 -0.105 0.000 0.804 276 E CB -0.543 29.116 29.700 -0.068 0.000 0.740 276 E HN 0.851 nan 8.360 nan 0.000 0.454 277 D N -0.592 119.777 120.400 -0.051 0.000 2.144 277 D HA -0.119 2.052 4.640 -4.114 0.000 0.200 277 D C 1.660 177.946 176.300 -0.024 0.000 0.978 277 D CA 1.258 55.240 54.000 -0.031 0.000 0.833 277 D CB 0.023 40.807 40.800 -0.027 0.000 0.961 277 D HN 0.343 nan 8.370 nan 0.000 0.470 278 E N -0.221 119.958 120.200 -0.035 0.000 2.077 278 E HA -0.131 1.751 4.350 -4.114 0.000 0.193 278 E C 2.303 178.911 176.600 0.012 0.000 0.989 278 E CA 0.543 56.932 56.400 -0.019 0.000 0.800 278 E CB 0.044 29.725 29.700 -0.032 0.000 0.746 278 E HN 0.211 nan 8.360 nan 0.000 0.452 279 R N 0.534 121.025 120.500 -0.016 0.000 2.103 279 R HA -0.173 1.699 4.340 -4.114 0.000 0.242 279 R C 2.484 178.877 176.300 0.156 0.000 1.142 279 R CA 1.431 57.583 56.100 0.087 0.000 0.960 279 R CB -0.278 29.948 30.300 -0.124 0.000 0.858 279 R HN 0.092 nan 8.270 nan 0.000 0.439 280 R N 0.165 120.695 120.500 0.051 0.000 2.081 280 R HA -0.111 1.761 4.340 -4.114 0.000 0.235 280 R C 1.887 178.192 176.300 0.009 0.000 1.131 280 R CA 1.947 58.064 56.100 0.028 0.000 0.960 280 R CB -0.234 30.071 30.300 0.010 0.000 0.856 280 R HN 0.127 nan 8.270 nan 0.000 0.436 281 T N 0.589 115.149 114.554 0.010 0.000 2.652 281 T HA -0.120 1.761 4.350 -4.114 0.000 0.267 281 T C 1.856 176.549 174.700 -0.010 0.000 1.039 281 T CA 1.703 63.802 62.100 -0.001 0.000 1.153 281 T CB -0.206 68.662 68.868 -0.001 0.000 0.863 281 T HN 0.058 nan 8.240 nan 0.000 0.428 282 V N 1.403 121.325 119.914 0.015 0.000 2.270 282 V HA -0.158 1.494 4.120 -4.114 0.000 0.245 282 V C 2.586 178.596 176.094 -0.140 0.000 1.043 282 V CA 1.869 64.168 62.300 -0.001 0.000 1.014 282 V CB -0.670 31.240 31.823 0.145 0.000 0.645 282 V HN 0.351 nan 8.190 nan 0.000 0.447 283 R N 0.126 120.473 120.500 -0.255 0.000 2.096 283 R HA -0.232 1.640 4.340 -4.114 0.000 0.240 283 R C 2.632 178.817 176.300 -0.191 0.000 1.139 283 R CA 2.111 57.951 56.100 -0.433 0.000 0.952 283 R CB -0.569 29.534 30.300 -0.329 0.000 0.854 283 R HN 0.475 nan 8.270 nan 0.000 0.436 284 S N -0.614 115.029 115.700 -0.095 0.000 2.370 284 S HA -0.097 1.905 4.470 -4.114 0.000 0.226 284 S C 1.849 176.429 174.600 -0.034 0.000 1.033 284 S CA 1.492 59.665 58.200 -0.045 0.000 1.011 284 S CB -0.099 63.088 63.200 -0.021 0.000 0.852 284 S HN 0.278 nan 8.310 nan 0.000 0.457 285 V N 1.775 121.662 119.914 -0.044 0.000 2.453 285 V HA -0.040 1.611 4.120 -4.114 0.000 0.247 285 V C 2.333 178.406 176.094 -0.035 0.000 1.048 285 V CA 1.464 63.746 62.300 -0.030 0.000 1.049 285 V CB -0.622 31.182 31.823 -0.031 0.000 0.672 285 V HN 0.471 nan 8.190 nan 0.000 0.457 286 L N 0.024 121.202 121.223 -0.074 0.000 2.017 286 L HA -0.127 1.745 4.340 -4.114 0.000 0.208 286 L C 2.205 179.063 176.870 -0.020 0.000 1.073 286 L CA 1.957 56.755 54.840 -0.071 0.000 0.745 286 L CB -0.780 41.187 42.059 -0.154 0.000 0.894 286 L HN 0.280 nan 8.230 nan 0.000 0.432 287 L N -0.083 121.130 121.223 -0.017 0.000 2.017 287 L HA -0.222 1.649 4.340 -4.114 0.000 0.208 287 L C 2.519 179.454 176.870 0.109 0.000 1.073 287 L CA 2.196 57.081 54.840 0.075 0.000 0.745 287 L CB -0.941 41.146 42.059 0.046 0.000 0.894 287 L HN 0.579 nan 8.230 nan 0.000 0.432 288 E N -0.635 119.600 120.200 0.058 0.000 2.058 288 E HA -0.269 1.613 4.350 -4.114 0.000 0.194 288 E C 2.333 178.959 176.600 0.043 0.000 0.997 288 E CA 1.391 57.825 56.400 0.057 0.000 0.801 288 E CB -0.078 29.643 29.700 0.035 0.000 0.746 288 E HN 0.492 nan 8.360 nan 0.000 0.450 289 R N -0.445 120.071 120.500 0.026 0.000 2.092 289 R HA -0.044 1.828 4.340 -4.114 0.000 0.231 289 R C 2.442 178.738 176.300 -0.006 0.000 1.119 289 R CA 1.652 57.761 56.100 0.015 0.000 0.970 289 R CB -0.192 30.117 30.300 0.014 0.000 0.864 289 R HN 0.175 nan 8.270 nan 0.000 0.440 290 T N 0.454 115.005 114.554 -0.005 0.000 2.821 290 T HA -0.125 1.756 4.350 -4.114 0.000 0.267 290 T C 1.720 176.253 174.700 -0.278 0.000 1.046 290 T CA 0.977 63.035 62.100 -0.071 0.000 1.139 290 T CB -0.116 68.781 68.868 0.048 0.000 0.871 290 T HN 0.250 nan 8.240 nan 0.000 0.454 291 R N 0.931 121.344 120.500 -0.145 0.000 2.096 291 R HA -0.115 1.756 4.340 -4.114 0.000 0.235 291 R C 2.437 178.628 176.300 -0.181 0.000 1.127 291 R CA 1.573 57.552 56.100 -0.202 0.000 0.968 291 R CB -0.144 30.266 30.300 0.183 0.000 0.861 291 R HN 0.495 nan 8.270 nan 0.000 0.440 292 E N -0.356 119.801 120.200 -0.071 0.000 2.058 292 E HA -0.186 1.695 4.350 -4.114 0.000 0.194 292 E C 1.820 178.406 176.600 -0.024 0.000 0.997 292 E CA 1.772 58.162 56.400 -0.018 0.000 0.801 292 E CB 0.121 29.830 29.700 0.015 0.000 0.746 292 E HN 0.201 nan 8.360 nan 0.000 0.450 293 V N 0.940 120.814 119.914 -0.067 0.000 2.358 293 V HA -0.224 1.427 4.120 -4.114 0.000 0.246 293 V C 2.383 178.380 176.094 -0.162 0.000 1.047 293 V CA 1.716 63.994 62.300 -0.037 0.000 1.035 293 V CB -0.700 31.094 31.823 -0.048 0.000 0.658 293 V HN 0.405 nan 8.190 nan 0.000 0.452 294 A N -0.035 122.517 122.820 -0.447 0.000 1.898 294 A HA -0.224 1.627 4.320 -4.114 0.000 0.216 294 A C 1.971 179.314 177.584 -0.402 0.000 1.181 294 A CA 1.890 53.509 52.037 -0.695 0.000 0.620 294 A CB -0.589 17.356 19.000 -1.757 0.000 0.819 294 A HN 0.522 nan 8.150 nan 0.000 0.442 295 D N -1.313 118.945 120.400 -0.237 0.000 2.144 295 D HA -0.154 2.017 4.640 -4.114 0.000 0.199 295 D C 1.756 178.077 176.300 0.035 0.000 0.984 295 D CA 1.356 55.329 54.000 -0.045 0.000 0.834 295 D CB -0.502 40.311 40.800 0.022 0.000 0.955 295 D HN 0.701 nan 8.370 nan 0.000 0.465 296 H N 0.691 119.753 119.070 -0.014 0.000 2.326 296 H HA -0.054 2.032 4.556 -4.117 0.000 0.301 296 H C 2.005 177.346 175.328 0.023 0.000 1.081 296 H CA 1.135 57.224 56.048 0.068 0.000 1.334 296 H CB 0.038 29.858 29.762 0.097 0.000 1.385 296 H HN -0.068 nan 8.280 nan 0.000 0.504 297 V N 1.216 121.068 119.914 -0.104 0.000 2.295 297 V HA -0.238 1.414 4.120 -4.114 0.000 0.246 297 V C 2.772 178.772 176.094 -0.157 0.000 1.049 297 V CA 1.893 64.092 62.300 -0.169 0.000 1.024 297 V CB -0.387 31.348 31.823 -0.147 0.000 0.648 297 V HN 0.353 nan 8.190 nan 0.000 0.447 298 I N -0.326 120.140 120.570 -0.174 0.000 2.429 298 I HA 0.013 1.715 4.170 -4.114 0.000 0.247 298 I C 2.455 178.651 176.117 0.133 0.000 1.099 298 I CA 1.200 62.425 61.300 -0.125 0.000 1.422 298 I CB -0.382 37.398 38.000 -0.367 0.000 1.112 298 I HN 0.229 nan 8.210 nan 0.000 0.430 299 A N -0.870 122.003 122.820 0.089 0.000 1.956 299 A HA -0.081 1.771 4.320 -4.114 0.000 0.212 299 A C 2.120 179.789 177.584 0.142 0.000 1.188 299 A CA 0.847 52.974 52.037 0.151 0.000 0.675 299 A CB -0.607 18.470 19.000 0.127 0.000 0.845 299 A HN 0.438 nan 8.150 nan 0.000 0.455 300 H N -1.165 117.869 119.070 -0.060 0.000 2.283 300 H HA 0.243 2.333 4.556 -4.111 0.000 0.320 300 H C 2.373 177.591 175.328 -0.184 0.000 1.074 300 H CA 0.661 56.644 56.048 -0.107 0.000 1.476 300 H CB 0.181 29.883 29.762 -0.100 0.000 1.465 300 H HN 0.387 nan 8.280 nan 0.000 0.573 301 A N 1.030 123.631 122.820 -0.365 0.000 1.940 301 A HA -0.171 1.680 4.320 -4.114 0.000 0.219 301 A C 1.451 178.959 177.584 -0.127 0.000 1.176 301 A CA 1.276 53.104 52.037 -0.348 0.000 0.631 301 A CB -0.563 18.198 19.000 -0.399 0.000 0.814 301 A HN 0.676 nan 8.150 nan 0.000 0.446 302 R N -0.703 119.761 120.500 -0.059 0.000 3.264 302 R HA -0.182 1.690 4.340 -4.114 0.000 0.251 302 R C 0.687 176.923 176.300 -0.107 0.000 0.971 302 R CA 0.608 56.675 56.100 -0.055 0.000 0.658 302 R CB -1.887 28.435 30.300 0.038 0.000 1.095 302 R HN 0.850 nan 8.270 nan 0.000 0.443 303 I N -1.529 119.022 120.570 -0.032 0.000 2.756 303 I HA -0.181 1.521 4.170 -4.114 0.000 0.262 303 I C 2.013 178.147 176.117 0.028 0.000 1.225 303 I CA 1.391 62.671 61.300 -0.033 0.000 1.472 303 I CB -0.486 37.364 38.000 -0.250 0.000 1.094 303 I HN 0.384 nan 8.210 nan 0.000 0.454 304 H N 0.735 119.832 119.070 0.045 0.000 2.559 304 H HA 0.122 2.209 4.556 -4.115 0.000 0.273 304 H C 1.690 176.989 175.328 -0.049 0.000 1.000 304 H CA 1.105 57.128 56.048 -0.043 0.000 1.195 304 H CB -0.373 29.485 29.762 0.159 0.000 1.368 304 H HN 0.447 nan 8.280 nan 0.000 0.592 305 V N -0.591 119.134 119.914 -0.315 0.000 3.219 305 V HA 0.098 1.750 4.120 -4.114 0.000 0.240 305 V C 0.078 175.886 176.094 -0.477 0.000 1.222 305 V CA 0.288 62.365 62.300 -0.372 0.000 1.181 305 V CB 0.072 31.665 31.823 -0.384 0.000 0.941 305 V HN 0.072 nan 8.190 nan 0.000 0.471 306 F N 2.525 122.404 119.950 -0.118 0.000 2.371 306 F HA 0.427 2.483 4.527 -4.119 0.000 0.343 306 F C -1.744 174.051 175.800 -0.009 0.000 1.150 306 F CA -1.961 56.017 58.000 -0.036 0.000 1.220 306 F CB 1.161 40.137 39.000 -0.039 0.000 1.475 306 F HN 0.080 nan 8.300 nan 0.000 0.521 307 P HA -0.068 nan 4.420 nan 0.000 0.249 307 P C 0.674 177.871 177.300 -0.172 0.000 1.229 307 P CA 0.903 63.986 63.100 -0.029 0.000 0.788 307 P CB -0.086 31.463 31.700 -0.252 0.000 1.072 308 Y N -0.257 119.950 120.300 -0.155 0.000 2.490 308 Y HA 0.079 2.159 4.550 -4.117 0.000 0.281 308 Y C 1.216 177.248 175.900 0.219 0.000 1.174 308 Y CA -0.111 57.849 58.100 -0.235 0.000 1.295 308 Y CB -0.306 37.930 38.460 -0.374 0.000 1.062 308 Y HN -0.074 nan 8.280 nan 0.000 0.522 309 D N 0.068 120.648 120.400 0.300 0.000 2.455 309 D HA 0.034 2.206 4.640 -4.114 0.000 0.234 309 D C 0.782 177.265 176.300 0.305 0.000 1.224 309 D CA 0.321 54.486 54.000 0.274 0.000 0.999 309 D CB 0.681 41.571 40.800 0.151 0.000 1.072 309 D HN 0.083 nan 8.370 nan 0.000 0.514 310 S N 1.921 117.872 115.700 0.418 0.000 2.402 310 S HA -0.193 1.808 4.470 -4.114 0.000 0.229 310 S C 1.581 176.384 174.600 0.339 0.000 1.021 310 S CA 0.682 59.134 58.200 0.421 0.000 0.974 310 S CB -0.211 63.267 63.200 0.462 0.000 0.800 310 S HN 0.680 nan 8.310 nan 0.000 0.484 311 H N 1.821 121.036 119.070 0.241 0.000 2.321 311 H HA 0.026 2.111 4.556 -4.119 0.000 0.300 311 H C 2.062 177.491 175.328 0.168 0.000 1.087 311 H CA 1.708 57.888 56.048 0.220 0.000 1.319 311 H CB -0.434 29.461 29.762 0.221 0.000 1.379 311 H HN 0.321 nan 8.280 nan 0.000 0.501 312 A N -0.213 122.712 122.820 0.176 0.000 1.929 312 A HA -0.051 1.800 4.320 -4.114 0.000 0.216 312 A C 2.632 180.181 177.584 -0.060 0.000 1.176 312 A CA 1.342 53.411 52.037 0.054 0.000 0.628 312 A CB -0.701 18.322 19.000 0.037 0.000 0.816 312 A HN 0.335 nan 8.150 nan 0.000 0.444 313 V N 0.358 120.285 119.914 0.022 0.000 2.358 313 V HA -0.238 1.413 4.120 -4.114 0.000 0.246 313 V C 2.642 178.771 176.094 0.057 0.000 1.047 313 V CA 2.149 64.481 62.300 0.054 0.000 1.035 313 V CB -0.819 31.169 31.823 0.274 0.000 0.658 313 V HN 0.700 nan 8.190 nan 0.000 0.452 314 R N 0.980 121.509 120.500 0.048 0.000 2.081 314 R HA -0.186 1.685 4.340 -4.114 0.000 0.235 314 R C 2.512 178.630 176.300 -0.304 0.000 1.131 314 R CA 2.135 58.214 56.100 -0.035 0.000 0.960 314 R CB -0.361 29.947 30.300 0.015 0.000 0.856 314 R HN 0.668 nan 8.270 nan 0.000 0.436 315 S N 0.725 116.135 115.700 -0.483 0.000 2.406 315 S HA -0.151 1.851 4.470 -4.114 0.000 0.228 315 S C 2.098 176.463 174.600 -0.392 0.000 1.020 315 S CA 0.947 58.711 58.200 -0.727 0.000 0.965 315 S CB -0.526 62.023 63.200 -1.085 0.000 0.798 315 S HN 0.439 nan 8.310 nan 0.000 0.488 316 L N 1.657 122.737 121.223 -0.237 0.000 2.012 316 L HA -0.113 1.758 4.340 -4.114 0.000 0.210 316 L C 2.414 179.234 176.870 -0.083 0.000 1.073 316 L CA 1.997 56.754 54.840 -0.138 0.000 0.748 316 L CB -0.616 41.363 42.059 -0.133 0.000 0.891 316 L HN 0.299 nan 8.230 nan 0.000 0.431 317 S N -0.283 115.382 115.700 -0.058 0.000 2.345 317 S HA -0.020 1.982 4.470 -4.114 0.000 0.219 317 S C 1.951 176.542 174.600 -0.015 0.000 1.031 317 S CA 1.056 59.255 58.200 -0.002 0.000 0.984 317 S CB -0.435 62.803 63.200 0.064 0.000 0.874 317 S HN 0.645 nan 8.310 nan 0.000 0.451 318 A N 0.364 123.121 122.820 -0.106 0.000 2.021 318 A HA 0.223 2.075 4.320 -4.114 0.000 0.216 318 A C 1.991 179.493 177.584 -0.138 0.000 1.163 318 A CA 0.765 52.725 52.037 -0.128 0.000 0.676 318 A CB -0.139 18.534 19.000 -0.544 0.000 0.818 318 A HN 0.346 nan 8.150 nan 0.000 0.453 319 V N -0.967 118.818 119.914 -0.215 0.000 2.854 319 V HA 0.067 1.719 4.120 -4.114 0.000 0.236 319 V C 2.286 178.313 176.094 -0.112 0.000 1.157 319 V CA 0.561 62.749 62.300 -0.186 0.000 1.187 319 V CB -0.758 30.868 31.823 -0.329 0.000 0.949 319 V HN 0.429 nan 8.190 nan 0.000 0.488 320 L N 0.499 121.648 121.223 -0.124 0.000 2.046 320 L HA -0.168 1.704 4.340 -4.114 0.000 0.208 320 L C 2.671 179.544 176.870 0.004 0.000 1.077 320 L CA 2.092 56.898 54.840 -0.057 0.000 0.747 320 L CB -0.862 41.162 42.059 -0.057 0.000 0.896 320 L HN 0.420 nan 8.230 nan 0.000 0.432 321 T N 0.299 114.853 114.554 0.001 0.000 2.622 321 T HA -0.109 1.772 4.350 -4.114 0.000 0.266 321 T C -0.510 174.178 174.700 -0.021 0.000 1.047 321 T CA 1.704 63.818 62.100 0.022 0.000 1.159 321 T CB -1.281 67.606 68.868 0.032 0.000 0.863 321 T HN 0.315 nan 8.240 nan 0.000 0.422 322 P HA 0.046 nan 4.420 nan 0.000 0.217 322 P C 1.483 178.706 177.300 -0.129 0.000 1.151 322 P CA 1.331 64.341 63.100 -0.151 0.000 0.828 322 P CB -0.210 31.394 31.700 -0.161 0.000 0.788 323 A N -0.014 122.774 122.820 -0.053 0.000 1.877 323 A HA -0.193 1.659 4.320 -4.114 0.000 0.216 323 A C 2.556 180.157 177.584 0.028 0.000 1.186 323 A CA 1.999 54.030 52.037 -0.010 0.000 0.620 323 A CB -1.762 17.244 19.000 0.010 0.000 0.822 323 A HN 0.244 nan 8.150 nan 0.000 0.443 324 C N -0.804 118.534 119.300 0.062 0.000 2.440 324 C HA 0.011 2.002 4.460 -4.114 0.000 0.278 324 C C 2.560 177.563 174.990 0.022 0.000 1.295 324 C CA 0.702 59.785 59.018 0.108 0.000 1.738 324 C CB -1.342 26.511 27.740 0.188 0.000 1.987 324 C HN 0.614 nan 8.230 nan 0.000 0.492 325 I N 1.689 122.209 120.570 -0.083 0.000 2.142 325 I HA -0.224 1.477 4.170 -4.114 0.000 0.240 325 I C 2.809 178.762 176.117 -0.273 0.000 1.078 325 I CA 1.717 62.825 61.300 -0.321 0.000 1.343 325 I CB -0.627 37.065 38.000 -0.513 0.000 1.046 325 I HN 0.263 nan 8.210 nan 0.000 0.405 326 A N 0.591 123.333 122.820 -0.131 0.000 1.978 326 A HA -0.169 1.683 4.320 -4.114 0.000 0.220 326 A C 2.218 179.936 177.584 0.224 0.000 1.170 326 A CA 1.573 53.654 52.037 0.074 0.000 0.636 326 A CB -0.769 18.303 19.000 0.121 0.000 0.810 326 A HN 0.455 nan 8.150 nan 0.000 0.448 327 L N -0.430 120.857 121.223 0.106 0.000 2.509 327 L HA 0.019 1.890 4.340 -4.114 0.000 0.222 327 L C 0.377 177.304 176.870 0.094 0.000 1.123 327 L CA -0.327 54.577 54.840 0.106 0.000 0.856 327 L CB -0.180 41.907 42.059 0.048 0.000 0.985 327 L HN 0.327 nan 8.230 nan 0.000 0.456 328 Q N 0.583 120.421 119.800 0.063 0.000 2.304 328 Q HA 0.069 1.940 4.340 -4.114 0.000 0.301 328 Q C 1.271 177.305 176.000 0.057 0.000 1.063 328 Q CA 1.255 57.092 55.803 0.057 0.000 0.947 328 Q CB 0.490 29.302 28.738 0.122 0.000 1.201 328 Q HN 0.434 nan 8.270 nan 0.000 0.389 329 G N 2.926 111.740 108.800 0.023 0.000 2.241 329 G HA2 -0.300 1.191 3.960 -4.114 0.000 0.244 329 G HA3 -0.300 1.191 3.960 -4.114 0.000 0.244 329 G C 0.464 175.392 174.900 0.047 0.000 0.998 329 G CA 0.366 45.481 45.100 0.025 0.000 0.621 329 G HN 0.594 nan 8.290 nan 0.000 0.519 330 E N -0.383 119.856 120.200 0.066 0.000 2.758 330 E HA 0.436 2.317 4.350 -4.114 0.000 0.215 330 E C -0.106 176.507 176.600 0.021 0.000 0.985 330 E CA 0.606 57.053 56.400 0.077 0.000 1.102 330 E CB 1.147 30.949 29.700 0.169 0.000 1.042 330 E HN 0.344 nan 8.360 nan 0.000 0.480 331 S N 0.368 116.055 115.700 -0.023 0.000 2.584 331 S HA 0.087 2.088 4.470 -4.114 0.000 0.282 331 S C -0.425 174.090 174.600 -0.143 0.000 1.138 331 S CA -0.591 57.559 58.200 -0.082 0.000 0.987 331 S CB 0.944 64.093 63.200 -0.084 0.000 1.137 331 S HN -0.043 nan 8.310 nan 0.000 0.457 332 D N 3.146 123.452 120.400 -0.157 0.000 2.117 332 D HA -0.069 2.102 4.640 -4.114 0.000 0.197 332 D C 1.637 177.750 176.300 -0.312 0.000 0.987 332 D CA 1.405 55.294 54.000 -0.185 0.000 0.829 332 D CB 0.151 40.868 40.800 -0.139 0.000 0.961 332 D HN 0.793 nan 8.370 nan 0.000 0.460 333 E N 0.497 120.421 120.200 -0.460 0.000 2.049 333 E HA -0.188 1.694 4.350 -4.114 0.000 0.198 333 E C 2.076 177.926 176.600 -1.250 0.000 1.007 333 E CA 1.265 57.085 56.400 -0.966 0.000 0.809 333 E CB -0.094 28.913 29.700 -1.155 0.000 0.749 333 E HN 0.210 nan 8.360 nan 0.000 0.450 334 A N 0.874 123.265 122.820 -0.715 0.000 1.972 334 A HA -0.101 1.751 4.320 -4.114 0.000 0.219 334 A C 2.369 179.904 177.584 -0.082 0.000 1.169 334 A CA 1.637 53.544 52.037 -0.216 0.000 0.635 334 A CB -1.015 17.984 19.000 -0.003 0.000 0.810 334 A HN 0.379 nan 8.150 nan 0.000 0.446 335 G N -0.405 108.305 108.800 -0.149 0.000 2.418 335 G HA2 -0.215 1.277 3.960 -4.114 0.000 0.217 335 G HA3 -0.215 1.277 3.960 -4.114 0.000 0.217 335 G C 1.435 176.335 174.900 0.000 0.000 1.158 335 G CA 1.020 46.067 45.100 -0.087 0.000 0.771 335 G HN 0.650 nan 8.290 nan 0.000 0.545 336 E N -0.476 119.672 120.200 -0.087 0.000 2.072 336 E HA -0.096 1.786 4.350 -4.114 0.000 0.191 336 E C 2.308 179.063 176.600 0.257 0.000 0.985 336 E CA 0.846 57.281 56.400 0.058 0.000 0.801 336 E CB -0.102 29.566 29.700 -0.054 0.000 0.750 336 E HN 0.564 nan 8.360 nan 0.000 0.452 337 W N 0.488 121.883 121.300 0.159 0.000 2.402 337 W HA -0.054 2.138 4.660 -4.113 0.000 0.286 337 W C 2.109 178.736 176.519 0.180 0.000 1.221 337 W CA 0.205 57.632 57.345 0.137 0.000 1.257 337 W CB -0.995 28.501 29.460 0.061 0.000 1.120 337 W HN 0.179 nan 8.180 nan 0.000 0.551 338 L N 1.041 122.479 121.223 0.358 0.000 2.072 338 L HA -0.134 1.738 4.340 -4.114 0.000 0.205 338 L C 1.833 178.870 176.870 0.280 0.000 1.079 338 L CA 2.080 57.088 54.840 0.281 0.000 0.752 338 L CB -0.985 41.213 42.059 0.232 0.000 0.906 338 L HN -0.266 nan 8.230 nan 0.000 0.436 339 D N -1.245 119.338 120.400 0.305 0.000 2.104 339 D HA -0.284 1.888 4.640 -4.114 0.000 0.194 339 D C 2.011 178.489 176.300 0.296 0.000 0.994 339 D CA 1.846 56.020 54.000 0.290 0.000 0.830 339 D CB -0.426 40.572 40.800 0.331 0.000 0.959 339 D HN 0.476 nan 8.370 nan 0.000 0.452 340 Y N 1.676 122.110 120.300 0.223 0.000 2.128 340 Y HA -0.278 1.804 4.550 -4.114 0.000 0.284 340 Y C 2.426 178.414 175.900 0.146 0.000 1.154 340 Y CA 2.186 60.347 58.100 0.102 0.000 1.149 340 Y CB -0.507 37.946 38.460 -0.011 0.000 0.976 340 Y HN -0.092 nan 8.280 nan 0.000 0.505 341 T N -0.250 114.487 114.554 0.304 0.000 2.622 341 T HA -0.221 1.660 4.350 -4.114 0.000 0.266 341 T C 2.011 176.806 174.700 0.158 0.000 1.047 341 T CA 2.051 64.270 62.100 0.198 0.000 1.159 341 T CB -0.873 68.111 68.868 0.194 0.000 0.863 341 T HN 0.212 nan 8.240 nan 0.000 0.422 342 V N 1.441 121.448 119.914 0.155 0.000 2.295 342 V HA -0.193 1.458 4.120 -4.114 0.000 0.246 342 V C 2.483 178.628 176.094 0.085 0.000 1.049 342 V CA 1.848 64.222 62.300 0.122 0.000 1.024 342 V CB -0.679 31.198 31.823 0.090 0.000 0.648 342 V HN 0.540 nan 8.190 nan 0.000 0.447 343 E N -0.653 119.598 120.200 0.085 0.000 2.110 343 E HA -0.242 1.639 4.350 -4.114 0.000 0.193 343 E C 1.987 178.713 176.600 0.209 0.000 0.988 343 E CA 1.609 58.076 56.400 0.112 0.000 0.804 343 E CB -0.263 29.506 29.700 0.115 0.000 0.745 343 E HN 0.633 nan 8.360 nan 0.000 0.458 344 F N 1.184 121.103 119.950 -0.053 0.000 2.102 344 F HA -0.164 1.887 4.527 -4.126 0.000 0.298 344 F C 1.857 177.564 175.800 -0.155 0.000 1.105 344 F CA 1.311 59.101 58.000 -0.350 0.000 1.239 344 F CB -0.042 38.618 39.000 -0.567 0.000 0.991 344 F HN -0.089 nan 8.300 nan 0.000 0.474 345 L N -0.143 121.148 121.223 0.112 0.000 2.131 345 L HA -0.158 1.713 4.340 -4.114 0.000 0.210 345 L C 2.664 179.569 176.870 0.058 0.000 1.092 345 L CA 1.023 55.913 54.840 0.083 0.000 0.759 345 L CB -1.081 41.021 42.059 0.071 0.000 0.903 345 L HN 0.254 nan 8.230 nan 0.000 0.435 346 A N -0.940 121.917 122.820 0.061 0.000 2.016 346 A HA -0.068 1.783 4.320 -4.114 0.000 0.217 346 A C 2.194 179.759 177.584 -0.032 0.000 1.162 346 A CA 1.853 53.944 52.037 0.090 0.000 0.662 346 A CB -0.327 18.703 19.000 0.051 0.000 0.812 346 A HN 0.383 nan 8.150 nan 0.000 0.450 347 T N -1.204 113.261 114.554 -0.147 0.000 3.151 347 T HA 0.251 2.132 4.350 -4.114 0.000 0.239 347 T C 1.554 176.019 174.700 -0.393 0.000 0.979 347 T CA 0.604 62.580 62.100 -0.207 0.000 1.194 347 T CB -0.140 68.703 68.868 -0.042 0.000 0.982 347 T HN 0.209 nan 8.240 nan 0.000 0.428 348 L N -0.451 120.335 121.223 -0.730 0.000 2.556 348 L HA 0.366 2.237 4.340 -4.114 0.000 0.226 348 L C 0.354 176.705 176.870 -0.864 0.000 1.089 348 L CA -0.070 54.207 54.840 -0.938 0.000 0.864 348 L CB 0.091 41.330 42.059 -1.366 0.000 1.067 348 L HN 0.280 nan 8.230 nan 0.000 0.477 349 Y N 1.328 121.118 120.300 -0.850 0.000 2.496 349 Y HA 0.184 2.253 4.550 -4.136 0.000 0.334 349 Y C 0.372 176.061 175.900 -0.351 0.000 1.080 349 Y CA 0.165 58.007 58.100 -0.430 0.000 1.355 349 Y CB 0.824 39.221 38.460 -0.106 0.000 1.193 349 Y HN -0.098 nan 8.280 nan 0.000 0.523 350 S N 6.962 122.289 115.700 -0.621 0.000 2.549 350 S HA 0.453 2.454 4.470 -4.114 0.000 0.280 350 S C -2.129 171.985 174.600 -0.810 0.000 1.109 350 S CA -1.626 56.044 58.200 -0.883 0.000 0.905 350 S CB 1.807 64.269 63.200 -1.230 0.000 1.081 350 S HN 0.582 nan 8.310 nan 0.000 0.477 351 P HA 0.073 nan 4.420 nan 0.000 0.233 351 P C 0.492 177.280 177.300 -0.853 0.000 1.167 351 P CA 0.615 63.109 63.100 -1.010 0.000 0.770 351 P CB -0.114 30.551 31.700 -1.725 0.000 0.837 352 W N 0.755 121.528 121.300 -0.877 0.000 2.770 352 W HA 0.298 2.512 4.660 -4.078 0.000 0.256 352 W C 1.045 176.819 176.519 -1.241 0.000 1.291 352 W CA -0.378 56.258 57.345 -1.181 0.000 1.396 352 W CB -0.045 28.314 29.460 -1.835 0.000 1.114 352 W HN -0.123 nan 8.180 nan 0.000 0.637 353 A N 1.023 123.341 122.820 -0.837 0.000 2.328 353 A HA 0.627 2.479 4.320 -4.114 0.000 0.284 353 A C 0.314 177.650 177.584 -0.415 0.000 1.160 353 A CA -0.112 51.465 52.037 -0.768 0.000 0.818 353 A CB 0.138 18.260 19.000 -1.464 0.000 1.087 353 A HN 0.094 nan 8.150 nan 0.000 0.504 354 G N 0.269 108.972 108.800 -0.161 0.000 2.410 354 G HA2 0.428 1.919 3.960 -4.114 0.000 0.330 354 G HA3 0.428 1.919 3.960 -4.114 0.000 0.330 354 G C 0.968 175.943 174.900 0.125 0.000 1.142 354 G CA 0.334 45.428 45.100 -0.009 0.000 0.902 354 G HN 1.048 nan 8.290 nan 0.000 0.491 355 T N -1.515 113.087 114.554 0.080 0.000 2.881 355 T HA -0.121 1.761 4.350 -4.114 0.000 0.270 355 T C 1.069 175.840 174.700 0.118 0.000 1.068 355 T CA 1.632 63.787 62.100 0.091 0.000 1.131 355 T CB -0.025 68.866 68.868 0.038 0.000 0.871 355 T HN 0.333 nan 8.240 nan 0.000 0.479 356 D N 1.230 121.711 120.400 0.134 0.000 2.336 356 D HA 0.264 2.436 4.640 -4.114 0.000 0.229 356 D C 1.656 178.101 176.300 0.241 0.000 1.061 356 D CA 0.806 54.888 54.000 0.135 0.000 0.875 356 D CB -0.066 40.783 40.800 0.082 0.000 0.904 356 D HN 0.671 nan 8.370 nan 0.000 0.525 357 G N 0.172 109.107 108.800 0.225 0.000 2.176 357 G HA2 -0.179 1.313 3.960 -4.114 0.000 0.232 357 G HA3 -0.179 1.313 3.960 -4.114 0.000 0.232 357 G C 0.770 175.669 174.900 -0.003 0.000 0.986 357 G CA -0.149 44.992 45.100 0.068 0.000 0.643 357 G HN 0.583 nan 8.290 nan 0.000 0.522 358 G N -0.832 107.904 108.800 -0.106 0.000 2.544 358 G HA2 0.377 1.868 3.960 -4.114 0.000 0.242 358 G HA3 0.377 1.868 3.960 -4.114 0.000 0.242 358 G C -0.165 174.324 174.900 -0.684 0.000 1.247 358 G CA 0.050 44.586 45.100 -0.940 0.000 0.840 358 G HN 0.602 nan 8.290 nan 0.000 0.578 359 W N 2.453 122.788 121.300 -1.608 0.000 2.499 359 W HA 0.436 5.258 4.660 0.269 0.000 0.320 359 W C 0.596 176.677 176.519 -0.729 0.000 1.010 359 W CA -0.869 56.028 57.345 -0.747 0.000 1.267 359 W CB 1.854 31.178 29.460 -0.228 0.000 1.316 359 W HN 0.710 nan 8.180 nan 0.000 0.431 360 A N 3.328 125.607 122.820 -0.902 0.000 1.978 360 A HA -0.223 1.629 4.320 -4.114 0.000 0.220 360 A C 1.663 178.983 177.584 -0.439 0.000 1.170 360 A CA 1.568 53.132 52.037 -0.788 0.000 0.636 360 A CB -0.108 18.041 19.000 -1.418 0.000 0.810 360 A HN 0.695 nan 8.150 nan 0.000 0.448 361 E N -0.777 119.089 120.200 -0.558 0.000 2.418 361 E HA 0.228 2.109 4.350 -4.114 0.000 0.197 361 E C 1.052 177.758 176.600 0.176 0.000 1.026 361 E CA 0.724 56.962 56.400 -0.271 0.000 0.862 361 E CB -0.334 29.116 29.700 -0.416 0.000 0.799 361 E HN 0.779 nan 8.360 nan 0.000 0.518 362 G N 1.325 110.293 108.800 0.280 0.000 2.619 362 G HA2 -0.157 1.334 3.960 -4.114 0.000 0.686 362 G HA3 -0.157 1.334 3.960 -4.114 0.000 0.686 362 G C -2.292 172.905 174.900 0.494 0.000 1.256 362 G CA -0.315 45.041 45.100 0.427 0.000 0.826 362 G HN -0.149 nan 8.290 nan 0.000 0.619 363 P HA -0.107 nan 4.420 nan 0.000 0.221 363 P C 1.231 178.662 177.300 0.219 0.000 1.150 363 P CA 1.873 65.052 63.100 0.132 0.000 0.800 363 P CB 0.048 31.580 31.700 -0.279 0.000 0.787 364 H N -0.628 118.515 119.070 0.121 0.000 2.321 364 H HA -0.138 1.966 4.556 -4.087 0.000 0.300 364 H C 1.721 176.997 175.328 -0.087 0.000 1.087 364 H CA 1.714 57.757 56.048 -0.009 0.000 1.319 364 H CB -0.942 28.758 29.762 -0.104 0.000 1.379 364 H HN 0.006 nan 8.280 nan 0.000 0.501 365 Y N -1.576 118.726 120.300 0.004 0.000 2.439 365 Y HA -0.129 1.906 4.550 -4.193 0.000 0.292 365 Y C 2.127 177.971 175.900 -0.094 0.000 1.130 365 Y CA 0.920 58.990 58.100 -0.050 0.000 1.254 365 Y CB -0.421 38.079 38.460 0.067 0.000 1.000 365 Y HN 0.378 nan 8.280 nan 0.000 0.554 366 W N 0.358 121.547 121.300 -0.185 0.000 2.338 366 W HA -0.305 1.740 4.660 -4.358 0.000 0.304 366 W C 2.491 178.773 176.519 -0.395 0.000 1.212 366 W CA 1.984 58.986 57.345 -0.571 0.000 1.264 366 W CB -0.246 29.100 29.460 -0.190 0.000 1.142 366 W HN 0.052 nan 8.180 nan 0.000 0.512 367 M N 0.462 120.074 119.600 0.020 0.000 2.065 367 M HA -0.247 1.764 4.480 -4.114 0.000 0.259 367 M C 2.328 178.395 176.300 -0.388 0.000 1.071 367 M CA 3.041 58.256 55.300 -0.142 0.000 1.109 367 M CB -0.914 31.636 32.600 -0.083 0.000 1.313 367 M HN 0.169 nan 8.290 nan 0.000 0.408 368 T N -2.247 112.083 114.554 -0.374 0.000 2.746 368 T HA -0.050 1.831 4.350 -4.114 0.000 0.267 368 T C 1.843 176.446 174.700 -0.161 0.000 1.039 368 T CA 1.383 63.341 62.100 -0.237 0.000 1.142 368 T CB -1.523 67.182 68.868 -0.272 0.000 0.866 368 T HN 0.556 nan 8.240 nan 0.000 0.444 369 G N 1.429 110.106 108.800 -0.206 0.000 2.421 369 G HA2 -0.108 1.383 3.960 -4.114 0.000 0.216 369 G HA3 -0.108 1.383 3.960 -4.114 0.000 0.216 369 G C 1.612 176.351 174.900 -0.268 0.000 1.171 369 G CA 0.974 45.987 45.100 -0.145 0.000 0.775 369 G HN 0.305 nan 8.290 nan 0.000 0.543 370 M N 1.290 120.515 119.600 -0.624 0.000 2.213 370 M HA 0.113 2.124 4.480 -4.114 0.000 0.263 370 M C 2.969 179.000 176.300 -0.448 0.000 1.062 370 M CA 0.859 55.797 55.300 -0.603 0.000 1.105 370 M CB -1.275 30.628 32.600 -1.162 0.000 1.385 370 M HN 0.322 nan 8.290 nan 0.000 0.417 371 A N -0.726 121.780 122.820 -0.523 0.000 1.892 371 A HA -0.213 1.639 4.320 -4.114 0.000 0.218 371 A C 1.886 179.208 177.584 -0.436 0.000 1.188 371 A CA 1.754 53.422 52.037 -0.615 0.000 0.631 371 A CB -0.959 17.497 19.000 -0.906 0.000 0.822 371 A HN 0.468 nan 8.150 nan 0.000 0.447 372 Y N -1.341 118.940 120.300 -0.033 0.000 2.448 372 Y HA 0.142 2.221 4.550 -4.118 0.000 0.289 372 Y C 2.048 177.927 175.900 -0.034 0.000 1.114 372 Y CA 0.342 58.457 58.100 0.025 0.000 1.235 372 Y CB -0.480 38.031 38.460 0.085 0.000 1.045 372 Y HN 0.329 nan 8.280 nan 0.000 0.554 373 L N -0.095 121.148 121.223 0.033 0.000 2.017 373 L HA -0.183 1.689 4.340 -4.114 0.000 0.208 373 L C 2.053 178.826 176.870 -0.162 0.000 1.073 373 L CA 1.663 56.435 54.840 -0.113 0.000 0.745 373 L CB -0.534 41.419 42.059 -0.177 0.000 0.894 373 L HN 0.138 nan 8.230 nan 0.000 0.432 374 I N -0.249 120.232 120.570 -0.148 0.000 2.151 374 I HA -0.341 1.360 4.170 -4.114 0.000 0.243 374 I C 2.491 178.579 176.117 -0.048 0.000 1.080 374 I CA 1.718 62.947 61.300 -0.119 0.000 1.339 374 I CB -0.388 37.475 38.000 -0.228 0.000 1.039 374 I HN 0.387 nan 8.210 nan 0.000 0.409 375 E N 0.591 120.796 120.200 0.008 0.000 2.058 375 E HA -0.259 1.623 4.350 -4.114 0.000 0.194 375 E C 2.331 178.984 176.600 0.089 0.000 0.997 375 E CA 1.418 57.886 56.400 0.113 0.000 0.801 375 E CB -0.179 29.671 29.700 0.249 0.000 0.746 375 E HN 0.543 nan 8.360 nan 0.000 0.450 376 A N 1.347 124.189 122.820 0.037 0.000 1.877 376 A HA -0.138 1.713 4.320 -4.114 0.000 0.216 376 A C 2.386 179.929 177.584 -0.069 0.000 1.186 376 A CA 1.813 53.849 52.037 -0.001 0.000 0.620 376 A CB -0.740 18.246 19.000 -0.023 0.000 0.822 376 A HN 0.317 nan 8.150 nan 0.000 0.443 377 A N 0.346 123.040 122.820 -0.210 0.000 1.883 377 A HA -0.229 1.622 4.320 -4.114 0.000 0.217 377 A C 1.918 179.369 177.584 -0.223 0.000 1.186 377 A CA 1.980 53.774 52.037 -0.405 0.000 0.624 377 A CB -0.721 17.712 19.000 -0.946 0.000 0.822 377 A HN 0.553 nan 8.150 nan 0.000 0.444 378 N N 0.196 118.868 118.700 -0.047 0.000 2.120 378 N HA -0.098 2.173 4.740 -4.114 0.000 0.188 378 N C 1.642 177.234 175.510 0.138 0.000 1.024 378 N CA 1.383 54.504 53.050 0.118 0.000 0.852 378 N CB -0.547 38.043 38.487 0.173 0.000 1.003 378 N HN 0.520 nan 8.380 nan 0.000 0.424 379 L N 0.392 121.691 121.223 0.125 0.000 2.056 379 L HA -0.060 1.812 4.340 -4.114 0.000 0.207 379 L C 2.124 179.075 176.870 0.136 0.000 1.078 379 L CA 0.871 55.796 54.840 0.142 0.000 0.749 379 L CB -0.314 41.807 42.059 0.103 0.000 0.901 379 L HN 0.104 nan 8.230 nan 0.000 0.433 380 I N -0.790 119.837 120.570 0.095 0.000 2.252 380 I HA -0.263 1.438 4.170 -4.114 0.000 0.245 380 I C 2.849 179.030 176.117 0.106 0.000 1.102 380 I CA 0.967 62.344 61.300 0.128 0.000 1.385 380 I CB -0.301 37.758 38.000 0.097 0.000 1.064 380 I HN 0.210 nan 8.210 nan 0.000 0.414 381 R N 0.421 120.937 120.500 0.027 0.000 2.083 381 R HA -0.219 1.653 4.340 -4.114 0.000 0.237 381 R C 2.531 178.865 176.300 0.056 0.000 1.137 381 R CA 2.072 58.178 56.100 0.009 0.000 0.951 381 R CB -0.287 30.005 30.300 -0.013 0.000 0.851 381 R HN 0.271 nan 8.270 nan 0.000 0.434 382 S N -0.574 115.188 115.700 0.103 0.000 2.356 382 S HA -0.203 1.799 4.470 -4.114 0.000 0.223 382 S C 1.862 176.541 174.600 0.132 0.000 1.032 382 S CA 1.255 59.523 58.200 0.114 0.000 1.005 382 S CB -0.473 62.828 63.200 0.168 0.000 0.867 382 S HN 0.538 nan 8.310 nan 0.000 0.449 383 Y N 2.388 122.698 120.300 0.016 0.000 2.184 383 Y HA 0.131 2.211 4.550 -4.116 0.000 0.290 383 Y C 1.751 177.651 175.900 -0.001 0.000 1.129 383 Y CA 1.636 59.732 58.100 -0.007 0.000 1.144 383 Y CB -0.161 38.297 38.460 -0.003 0.000 0.995 383 Y HN 0.503 nan 8.280 nan 0.000 0.513 384 I N -4.418 116.112 120.570 -0.068 0.000 4.240 384 I HA 0.518 2.219 4.170 -4.114 0.000 0.331 384 I C 1.426 177.524 176.117 -0.030 0.000 1.381 384 I CA 0.522 61.732 61.300 -0.149 0.000 1.136 384 I CB 0.465 38.391 38.000 -0.123 0.000 1.137 384 I HN 0.120 nan 8.210 nan 0.000 0.411 385 G N 1.716 110.523 108.800 0.011 0.000 2.148 385 G HA2 -0.367 1.124 3.960 -4.114 0.000 0.254 385 G HA3 -0.367 1.124 3.960 -4.114 0.000 0.254 385 G C -0.048 174.894 174.900 0.070 0.000 0.981 385 G CA 0.528 45.640 45.100 0.020 0.000 0.670 385 G HN 0.631 nan 8.290 nan 0.000 0.528 386 Y N 1.535 121.815 120.300 -0.033 0.000 2.327 386 Y HA 0.583 2.664 4.550 -4.115 0.000 0.336 386 Y C -0.364 175.512 175.900 -0.040 0.000 1.035 386 Y CA -1.651 56.429 58.100 -0.033 0.000 1.165 386 Y CB 1.480 39.917 38.460 -0.039 0.000 1.181 386 Y HN 0.068 nan 8.280 nan 0.000 0.494 387 D N 6.306 126.306 120.400 -0.668 0.000 2.454 387 D HA 0.174 2.346 4.640 -4.114 0.000 0.225 387 D C 0.473 176.323 176.300 -0.749 0.000 1.081 387 D CA -0.107 53.568 54.000 -0.541 0.000 0.864 387 D CB 0.639 41.337 40.800 -0.171 0.000 1.040 387 D HN 0.824 nan 8.370 nan 0.000 0.517 388 L N 3.035 123.748 121.223 -0.850 0.000 2.191 388 L HA -0.185 1.687 4.340 -4.114 0.000 0.212 388 L C 1.356 178.057 176.870 -0.283 0.000 1.103 388 L CA 0.832 55.314 54.840 -0.597 0.000 0.769 388 L CB -0.319 41.360 42.059 -0.633 0.000 0.908 388 L HN 0.516 nan 8.230 nan 0.000 0.438 389 Y N -0.466 119.710 120.300 -0.207 0.000 2.569 389 Y HA -0.196 1.878 4.550 -4.126 0.000 0.293 389 Y C 2.567 178.568 175.900 0.167 0.000 1.144 389 Y CA 0.420 58.518 58.100 -0.003 0.000 1.321 389 Y CB -0.489 37.972 38.460 0.002 0.000 0.982 389 Y HN 0.229 nan 8.280 nan 0.000 0.558 390 Q N 0.453 120.381 119.800 0.213 0.000 2.297 390 Q HA -0.045 1.826 4.340 -4.114 0.000 0.204 390 Q C 0.564 176.688 176.000 0.206 0.000 0.962 390 Q CA 0.597 56.506 55.803 0.176 0.000 0.879 390 Q CB -0.197 28.596 28.738 0.092 0.000 0.947 390 Q HN 0.427 nan 8.270 nan 0.000 0.462 391 R N 1.921 122.590 120.500 0.283 0.000 2.570 391 R HA -0.015 1.856 4.340 -4.114 0.000 0.277 391 R C -1.371 175.070 176.300 0.234 0.000 1.039 391 R CA -0.932 55.327 56.100 0.265 0.000 1.065 391 R CB 0.061 30.562 30.300 0.334 0.000 0.964 391 R HN 0.025 nan 8.270 nan 0.000 0.428 392 P HA -0.229 nan 4.420 nan 0.000 0.218 392 P C 1.116 178.456 177.300 0.066 0.000 1.148 392 P CA 1.281 64.438 63.100 0.096 0.000 0.822 392 P CB -0.068 31.672 31.700 0.066 0.000 0.784 393 F N 0.944 120.824 119.950 -0.117 0.000 2.091 393 F HA -0.220 1.788 4.527 -4.199 0.000 0.299 393 F C 1.923 177.602 175.800 -0.201 0.000 1.103 393 F CA 1.639 59.506 58.000 -0.223 0.000 1.228 393 F CB -1.154 37.602 39.000 -0.407 0.000 0.984 393 F HN -0.282 nan 8.300 nan 0.000 0.477 394 F N 0.544 120.432 119.950 -0.104 0.000 2.234 394 F HA -0.136 1.910 4.527 -4.134 0.000 0.299 394 F C 2.479 178.187 175.800 -0.155 0.000 1.087 394 F CA 1.007 58.907 58.000 -0.167 0.000 1.340 394 F CB -1.223 37.975 39.000 0.330 0.000 1.031 394 F HN 0.042 nan 8.300 nan 0.000 0.500 395 Q N 0.248 120.123 119.800 0.126 0.000 2.170 395 Q HA -0.156 1.716 4.340 -4.114 0.000 0.203 395 Q C 1.376 177.390 176.000 0.024 0.000 0.976 395 Q CA 1.514 57.381 55.803 0.106 0.000 0.858 395 Q CB -0.661 28.146 28.738 0.115 0.000 0.907 395 Q HN 0.591 nan 8.270 nan 0.000 0.433 396 N N -1.184 117.455 118.700 -0.103 0.000 2.368 396 N HA -0.026 2.245 4.740 -4.114 0.000 0.178 396 N C 1.421 176.816 175.510 -0.191 0.000 1.076 396 N CA 0.418 53.425 53.050 -0.071 0.000 0.889 396 N CB 0.307 38.780 38.487 -0.022 0.000 1.040 396 N HN -0.011 nan 8.380 nan 0.000 0.463 397 T N -0.292 113.937 114.554 -0.543 0.000 3.035 397 T HA -0.008 1.873 4.350 -4.114 0.000 0.268 397 T C 1.946 176.336 174.700 -0.517 0.000 1.109 397 T CA 1.110 62.851 62.100 -0.598 0.000 1.119 397 T CB -0.437 67.816 68.868 -1.025 0.000 0.900 397 T HN 0.351 nan 8.240 nan 0.000 0.503 398 G N 1.797 110.153 108.800 -0.739 0.000 2.450 398 G HA2 -0.260 1.232 3.960 -4.114 0.000 0.220 398 G HA3 -0.260 1.232 3.960 -4.114 0.000 0.220 398 G C 1.600 176.033 174.900 -0.779 0.000 1.130 398 G CA 0.989 45.545 45.100 -0.905 0.000 0.760 398 G HN 0.691 nan 8.290 nan 0.000 0.557 399 R N -1.194 119.140 120.500 -0.277 0.000 2.276 399 R HA 0.212 2.083 4.340 -4.114 0.000 0.203 399 R C 2.066 178.439 176.300 0.122 0.000 1.017 399 R CA 0.472 56.642 56.100 0.118 0.000 1.010 399 R CB -0.565 29.998 30.300 0.440 0.000 0.900 399 R HN 0.246 nan 8.270 nan 0.000 0.469 400 F N 3.893 123.621 119.950 -0.368 0.000 2.051 400 F HA -0.010 2.021 4.527 -4.161 0.000 0.296 400 F C -0.840 174.552 175.800 -0.679 0.000 1.122 400 F CA 0.850 58.425 58.000 -0.709 0.000 1.201 400 F CB -0.765 37.623 39.000 -1.020 0.000 0.978 400 F HN -0.013 nan 8.300 nan 0.000 0.472 401 P HA -0.148 nan 4.420 nan 0.000 0.221 401 P C 2.112 178.992 177.300 -0.700 0.000 1.150 401 P CA 1.104 63.644 63.100 -0.934 0.000 0.800 401 P CB -0.244 30.841 31.700 -1.026 0.000 0.787 402 L N -1.010 119.774 121.223 -0.733 0.000 2.079 402 L HA -0.126 1.746 4.340 -4.114 0.000 0.210 402 L C 2.221 178.908 176.870 -0.304 0.000 1.081 402 L CA 1.961 56.463 54.840 -0.564 0.000 0.752 402 L CB -1.241 40.609 42.059 -0.348 0.000 0.896 402 L HN -0.147 nan 8.230 nan 0.000 0.433 403 Y N -1.671 118.532 120.300 -0.162 0.000 2.478 403 Y HA 0.043 2.120 4.550 -4.122 0.000 0.261 403 Y C 2.167 178.017 175.900 -0.082 0.000 1.127 403 Y CA 0.898 58.984 58.100 -0.024 0.000 1.288 403 Y CB -0.013 38.547 38.460 0.166 0.000 1.084 403 Y HN 0.354 nan 8.280 nan 0.000 0.530 404 T N -4.433 110.020 114.554 -0.167 0.000 2.959 404 T HA 0.198 2.080 4.350 -4.114 0.000 0.254 404 T C 0.777 175.361 174.700 -0.194 0.000 1.003 404 T CA -0.076 61.896 62.100 -0.213 0.000 0.950 404 T CB 0.272 68.832 68.868 -0.513 0.000 1.090 404 T HN -0.173 nan 8.240 nan 0.000 0.503 405 K N 1.950 122.240 120.400 -0.183 0.000 3.271 405 K HA 0.616 2.467 4.320 -4.114 0.000 0.192 405 K C -0.232 176.426 176.600 0.097 0.000 1.108 405 K CA -0.274 55.972 56.287 -0.067 0.000 0.902 405 K CB 1.164 33.634 32.500 -0.050 0.000 0.889 405 K HN 0.451 nan 8.250 nan 0.000 0.520 406 A N 1.975 124.831 122.820 0.061 0.000 2.445 406 A HA 0.312 2.163 4.320 -4.114 0.000 0.242 406 A C -2.277 175.358 177.584 0.086 0.000 1.075 406 A CA -0.812 51.336 52.037 0.184 0.000 0.777 406 A CB -0.250 18.878 19.000 0.213 0.000 1.013 406 A HN 0.059 nan 8.150 nan 0.000 0.493 407 P HA 0.209 nan 4.420 nan 0.000 0.261 407 P C 1.063 178.381 177.300 0.029 0.000 1.183 407 P CA 2.010 65.078 63.100 -0.054 0.000 0.761 407 P CB 0.546 32.170 31.700 -0.127 0.000 0.785 408 G N 1.926 110.721 108.800 -0.007 0.000 2.234 408 G HA2 -0.225 1.267 3.960 -4.114 0.000 0.235 408 G HA3 -0.225 1.267 3.960 -4.114 0.000 0.235 408 G C 0.311 175.173 174.900 -0.064 0.000 0.997 408 G CA 0.225 45.358 45.100 0.056 0.000 0.623 408 G HN 0.796 nan 8.290 nan 0.000 0.514 409 T N -1.406 112.948 114.554 -0.333 0.000 2.832 409 T HA 0.710 2.591 4.350 -4.114 0.000 0.296 409 T C 1.070 175.674 174.700 -0.159 0.000 0.968 409 T CA 0.269 62.069 62.100 -0.499 0.000 1.107 409 T CB 1.840 70.309 68.868 -0.664 0.000 0.916 409 T HN 0.422 nan 8.240 nan 0.000 0.517 410 R N 1.625 122.091 120.500 -0.056 0.000 2.257 410 R HA 0.275 2.147 4.340 -4.114 0.000 0.195 410 R C 1.226 177.490 176.300 -0.059 0.000 0.921 410 R CA -0.048 56.038 56.100 -0.024 0.000 1.069 410 R CB 0.544 30.864 30.300 0.033 0.000 1.115 410 R HN 0.506 nan 8.270 nan 0.000 0.571 411 R N 0.035 120.491 120.500 -0.074 0.000 2.635 411 R HA 0.336 2.208 4.340 -4.114 0.000 0.393 411 R C -0.612 175.572 176.300 -0.194 0.000 1.070 411 R CA -0.065 55.955 56.100 -0.134 0.000 1.118 411 R CB 1.924 32.138 30.300 -0.143 0.000 1.341 411 R HN 0.008 nan 8.270 nan 0.000 0.628 412 A N 0.914 123.611 122.820 -0.204 0.000 2.749 412 A HA 0.227 2.079 4.320 -4.114 0.000 0.299 412 A C -0.143 177.249 177.584 -0.320 0.000 1.105 412 A CA -0.426 51.459 52.037 -0.253 0.000 0.987 412 A CB -0.303 18.595 19.000 -0.170 0.000 1.180 412 A HN 0.544 nan 8.150 nan 0.000 0.528 413 N N -1.959 116.505 118.700 -0.394 0.000 3.550 413 N HA 0.790 3.062 4.740 -4.114 0.000 0.345 413 N C -0.832 174.254 175.510 -0.706 0.000 1.647 413 N CA -0.691 52.137 53.050 -0.371 0.000 0.737 413 N CB 0.680 39.161 38.487 -0.010 0.000 2.178 413 N HN -0.059 nan 8.380 nan 0.000 0.638 414 F N -1.751 118.187 119.950 -0.020 0.000 2.613 414 F HA 0.800 2.851 4.527 -4.127 0.000 0.314 414 F C 0.642 176.485 175.800 0.072 0.000 1.075 414 F CA 0.123 58.051 58.000 -0.120 0.000 0.945 414 F CB 2.196 40.889 39.000 -0.513 0.000 1.310 414 F HN 0.928 nan 8.300 nan 0.000 0.467 415 G N 1.149 109.976 108.800 0.046 0.000 2.663 415 G HA2 -0.084 1.408 3.960 -4.114 0.000 0.686 415 G HA3 -0.084 1.408 3.960 -4.114 0.000 0.686 415 G C -1.621 173.314 174.900 0.058 0.000 1.288 415 G CA -1.313 43.686 45.100 -0.170 0.000 0.836 415 G HN 0.631 nan 8.290 nan 0.000 0.584 416 D N 0.657 121.179 120.400 0.202 0.000 2.533 416 D HA 0.400 2.572 4.640 -4.114 0.000 0.236 416 D C 0.082 176.613 176.300 0.385 0.000 1.137 416 D CA 1.213 55.503 54.000 0.482 0.000 0.867 416 D CB 1.151 42.342 40.800 0.651 0.000 1.170 416 D HN 0.568 nan 8.370 nan 0.000 0.474 417 D N 0.031 120.546 120.400 0.192 0.000 2.478 417 D HA 0.028 2.200 4.640 -4.114 0.000 0.240 417 D C 0.646 176.623 176.300 -0.538 0.000 1.364 417 D CA -0.534 53.300 54.000 -0.277 0.000 0.987 417 D CB 0.971 41.716 40.800 -0.092 0.000 1.328 417 D HN 0.109 nan 8.370 nan 0.000 0.584 418 S N 1.240 116.179 115.700 -1.268 0.000 2.507 418 S HA -0.133 1.868 4.470 -4.114 0.000 0.235 418 S C 1.523 175.719 174.600 -0.673 0.000 0.988 418 S CA 1.352 58.738 58.200 -1.357 0.000 0.944 418 S CB -0.390 62.023 63.200 -1.312 0.000 0.762 418 S HN 0.503 nan 8.310 nan 0.000 0.526 419 T N -0.759 113.461 114.554 -0.557 0.000 3.086 419 T HA 0.324 2.205 4.350 -4.114 0.000 0.250 419 T C 0.414 175.028 174.700 -0.143 0.000 1.074 419 T CA -0.565 61.356 62.100 -0.299 0.000 0.988 419 T CB -0.605 68.129 68.868 -0.224 0.000 0.988 419 T HN 0.280 nan 8.240 nan 0.000 0.530 420 L N 2.356 123.512 121.223 -0.111 0.000 2.667 420 L HA 0.403 2.274 4.340 -4.114 0.000 0.278 420 L C 1.321 178.199 176.870 0.014 0.000 1.217 420 L CA 1.814 56.634 54.840 -0.034 0.000 0.935 420 L CB -0.482 41.584 42.059 0.012 0.000 1.193 420 L HN 0.560 nan 8.230 nan 0.000 0.493 421 G N 2.435 111.232 108.800 -0.006 0.000 2.284 421 G HA2 -0.220 1.271 3.960 -4.114 0.000 0.216 421 G HA3 -0.220 1.271 3.960 -4.114 0.000 0.216 421 G C 0.202 175.131 174.900 0.049 0.000 1.009 421 G CA 0.108 45.229 45.100 0.035 0.000 0.625 421 G HN 0.648 nan 8.290 nan 0.000 0.501 422 D N 0.550 120.964 120.400 0.024 0.000 2.388 422 D HA 0.592 2.763 4.640 -4.114 0.000 0.254 422 D C 1.274 177.578 176.300 0.006 0.000 1.111 422 D CA -0.496 53.517 54.000 0.021 0.000 0.993 422 D CB 0.741 41.541 40.800 -0.001 0.000 1.118 422 D HN 0.301 nan 8.370 nan 0.000 0.502 423 L N 1.047 122.278 121.223 0.013 0.000 2.482 423 L HA 0.149 2.020 4.340 -4.114 0.000 0.273 423 L C -1.883 174.981 176.870 -0.010 0.000 1.228 423 L CA -1.342 53.498 54.840 -0.001 0.000 0.827 423 L CB -0.306 41.754 42.059 0.002 0.000 1.099 423 L HN 0.104 nan 8.230 nan 0.000 0.494 424 P HA -0.005 nan 4.420 nan 0.000 0.264 424 P C -0.072 177.238 177.300 0.016 0.000 1.183 424 P CA -0.025 63.071 63.100 -0.007 0.000 0.763 424 P CB 0.402 32.087 31.700 -0.024 0.000 0.807 425 G N 2.339 111.176 108.800 0.062 0.000 2.491 425 G HA2 0.018 1.510 3.960 -4.114 0.000 0.238 425 G HA3 0.018 1.510 3.960 -4.114 0.000 0.238 425 G C 1.109 176.075 174.900 0.111 0.000 1.277 425 G CA -0.514 44.655 45.100 0.115 0.000 0.851 425 G HN 0.525 nan 8.290 nan 0.000 0.573 426 L N 0.536 121.844 121.223 0.140 0.000 2.051 426 L HA -0.189 1.683 4.340 -4.114 0.000 0.214 426 L C 2.933 179.918 176.870 0.193 0.000 1.076 426 L CA 1.773 56.703 54.840 0.149 0.000 0.758 426 L CB -0.180 41.968 42.059 0.149 0.000 0.890 426 L HN 0.536 nan 8.230 nan 0.000 0.433 427 K N 0.219 120.667 120.400 0.080 0.000 2.209 427 K HA -0.135 1.717 4.320 -4.114 0.000 0.204 427 K C 1.892 178.501 176.600 0.015 0.000 1.048 427 K CA 1.091 57.298 56.287 -0.133 0.000 0.940 427 K CB -0.248 31.935 32.500 -0.529 0.000 0.729 427 K HN 0.201 nan 8.250 nan 0.000 0.451 428 L N -0.910 120.394 121.223 0.135 0.000 2.012 428 L HA -0.158 1.714 4.340 -4.114 0.000 0.210 428 L C 2.322 179.422 176.870 0.384 0.000 1.073 428 L CA 1.667 56.684 54.840 0.295 0.000 0.748 428 L CB -0.836 41.383 42.059 0.267 0.000 0.891 428 L HN 0.431 nan 8.230 nan 0.000 0.431 429 G N -1.441 107.512 108.800 0.255 0.000 2.404 429 G HA2 -0.278 1.214 3.960 -4.114 0.000 0.215 429 G HA3 -0.278 1.214 3.960 -4.114 0.000 0.215 429 G C 1.307 176.420 174.900 0.355 0.000 1.174 429 G CA 0.499 45.743 45.100 0.239 0.000 0.780 429 G HN 0.243 nan 8.290 nan 0.000 0.537 430 Y N 1.494 121.908 120.300 0.191 0.000 2.165 430 Y HA -0.123 1.954 4.550 -4.121 0.000 0.286 430 Y C 2.896 178.683 175.900 -0.189 0.000 1.155 430 Y CA 1.496 59.607 58.100 0.019 0.000 1.164 430 Y CB -0.187 38.205 38.460 -0.113 0.000 0.978 430 Y HN 0.121 nan 8.280 nan 0.000 0.513 431 N N -0.377 118.326 118.700 0.006 0.000 2.120 431 N HA -0.155 2.117 4.740 -4.114 0.000 0.188 431 N C 1.990 177.496 175.510 -0.007 0.000 1.024 431 N CA 1.492 54.471 53.050 -0.119 0.000 0.852 431 N CB -0.769 37.666 38.487 -0.087 0.000 1.003 431 N HN 0.163 nan 8.380 nan 0.000 0.424 432 V N 1.404 121.460 119.914 0.236 0.000 2.427 432 V HA -0.148 1.503 4.120 -4.114 0.000 0.248 432 V C 2.515 178.625 176.094 0.027 0.000 1.051 432 V CA 1.259 63.690 62.300 0.219 0.000 1.048 432 V CB -0.449 31.491 31.823 0.195 0.000 0.666 432 V HN 0.302 nan 8.190 nan 0.000 0.456 433 R N 0.101 120.517 120.500 -0.139 0.000 2.091 433 R HA -0.285 1.587 4.340 -4.114 0.000 0.238 433 R C 2.384 178.321 176.300 -0.605 0.000 1.136 433 R CA 2.218 58.019 56.100 -0.499 0.000 0.959 433 R CB -0.264 29.317 30.300 -1.197 0.000 0.856 433 R HN 0.521 nan 8.270 nan 0.000 0.437 434 Q N 0.089 119.500 119.800 -0.649 0.000 2.077 434 Q HA -0.178 1.694 4.340 -4.114 0.000 0.206 434 Q C 1.631 177.195 176.000 -0.727 0.000 0.989 434 Q CA 2.173 57.535 55.803 -0.736 0.000 0.853 434 Q CB -0.386 27.830 28.738 -0.870 0.000 0.907 434 Q HN 0.405 nan 8.270 nan 0.000 0.418 435 F N -0.165 119.596 119.950 -0.316 0.000 2.325 435 F HA 0.106 2.155 4.527 -4.131 0.000 0.299 435 F C 2.193 178.018 175.800 0.042 0.000 1.090 435 F CA 0.679 58.553 58.000 -0.210 0.000 1.392 435 F CB -0.973 37.898 39.000 -0.214 0.000 1.053 435 F HN 0.198 nan 8.300 nan 0.000 0.521 436 A N 0.597 123.553 122.820 0.226 0.000 1.865 436 A HA -0.087 1.764 4.320 -4.114 0.000 0.217 436 A C 2.656 180.296 177.584 0.093 0.000 1.191 436 A CA 1.887 54.064 52.037 0.233 0.000 0.623 436 A CB -1.575 17.512 19.000 0.145 0.000 0.826 436 A HN 0.384 nan 8.150 nan 0.000 0.444 437 G N -0.556 108.245 108.800 0.002 0.000 2.469 437 G HA2 -0.193 1.298 3.960 -4.114 0.000 0.219 437 G HA3 -0.193 1.298 3.960 -4.114 0.000 0.219 437 G C 1.512 176.374 174.900 -0.062 0.000 1.150 437 G CA 1.475 46.540 45.100 -0.057 0.000 0.763 437 G HN 0.366 nan 8.290 nan 0.000 0.561 438 V N 1.289 121.090 119.914 -0.189 0.000 2.358 438 V HA -0.123 1.528 4.120 -4.114 0.000 0.246 438 V C 3.118 179.273 176.094 0.101 0.000 1.047 438 V CA 2.434 64.720 62.300 -0.023 0.000 1.035 438 V CB -0.593 31.142 31.823 -0.148 0.000 0.658 438 V HN 0.676 nan 8.190 nan 0.000 0.452 439 T N -3.730 110.894 114.554 0.117 0.000 3.014 439 T HA 0.330 2.212 4.350 -4.114 0.000 0.250 439 T C 1.610 176.340 174.700 0.051 0.000 1.060 439 T CA 0.899 63.066 62.100 0.111 0.000 1.040 439 T CB 0.782 69.747 68.868 0.161 0.000 0.971 439 T HN 0.923 nan 8.240 nan 0.000 0.497 440 G N 2.013 110.844 108.800 0.051 0.000 2.162 440 G HA2 -0.276 1.215 3.960 -4.114 0.000 0.260 440 G HA3 -0.276 1.215 3.960 -4.114 0.000 0.260 440 G C 0.010 174.883 174.900 -0.045 0.000 0.976 440 G CA 0.074 45.183 45.100 0.016 0.000 0.655 440 G HN 0.747 nan 8.290 nan 0.000 0.533 441 N N 1.073 119.713 118.700 -0.100 0.000 2.420 441 N HA 0.341 2.613 4.740 -4.114 0.000 0.262 441 N C 1.559 176.950 175.510 -0.199 0.000 1.144 441 N CA 0.850 53.727 53.050 -0.287 0.000 0.952 441 N CB 0.784 38.833 38.487 -0.729 0.000 1.081 441 N HN 0.255 nan 8.380 nan 0.000 0.480 442 G N 2.414 111.093 108.800 -0.202 0.000 2.572 442 G HA2 -0.151 1.341 3.960 -4.114 0.000 0.216 442 G HA3 -0.151 1.341 3.960 -4.114 0.000 0.216 442 G C 1.116 176.029 174.900 0.022 0.000 1.133 442 G CA 0.485 45.536 45.100 -0.082 0.000 0.791 442 G HN 0.766 nan 8.290 nan 0.000 0.538 443 H N -1.130 117.929 119.070 -0.020 0.000 2.389 443 H HA -0.056 2.030 4.556 -4.116 0.000 0.299 443 H C 2.206 177.730 175.328 0.327 0.000 1.081 443 H CA 1.214 57.305 56.048 0.072 0.000 1.345 443 H CB 0.071 29.791 29.762 -0.069 0.000 1.393 443 H HN 0.297 nan 8.280 nan 0.000 0.520 444 Y N 0.823 121.284 120.300 0.269 0.000 2.181 444 Y HA -0.222 1.871 4.550 -4.096 0.000 0.288 444 Y C 2.715 178.783 175.900 0.279 0.000 1.146 444 Y CA 1.148 59.387 58.100 0.232 0.000 1.164 444 Y CB -0.837 37.709 38.460 0.143 0.000 0.982 444 Y HN 0.238 nan 8.280 nan 0.000 0.515 445 Q N -0.624 119.398 119.800 0.371 0.000 2.084 445 Q HA -0.215 1.656 4.340 -4.114 0.000 0.202 445 Q C 2.229 178.454 176.000 0.374 0.000 0.978 445 Q CA 1.981 57.954 55.803 0.285 0.000 0.844 445 Q CB -0.806 28.039 28.738 0.177 0.000 0.898 445 Q HN 0.503 nan 8.270 nan 0.000 0.426 446 W N -0.282 121.158 121.300 0.234 0.000 2.318 446 W HA -0.324 1.864 4.660 -4.120 0.000 0.313 446 W C 1.983 178.667 176.519 0.275 0.000 1.221 446 W CA 2.225 59.715 57.345 0.242 0.000 1.266 446 W CB -0.772 28.795 29.460 0.178 0.000 1.150 446 W HN 0.356 nan 8.180 nan 0.000 0.496 447 Y N -0.027 120.533 120.300 0.433 0.000 2.128 447 Y HA -0.330 1.752 4.550 -4.113 0.000 0.284 447 Y C 2.408 178.317 175.900 0.016 0.000 1.154 447 Y CA 2.512 60.737 58.100 0.208 0.000 1.149 447 Y CB -1.353 37.273 38.460 0.277 0.000 0.976 447 Y HN 0.104 nan 8.280 nan 0.000 0.505 448 F N 1.301 121.269 119.950 0.031 0.000 2.065 448 F HA -0.283 1.772 4.527 -4.120 0.000 0.298 448 F C 2.106 177.727 175.800 -0.297 0.000 1.112 448 F CA 2.370 60.266 58.000 -0.174 0.000 1.212 448 F CB -0.717 38.173 39.000 -0.184 0.000 0.975 448 F HN 0.069 nan 8.300 nan 0.000 0.476 449 D N -0.736 119.466 120.400 -0.330 0.000 2.123 449 D HA -0.212 1.960 4.640 -4.114 0.000 0.196 449 D C 2.246 178.138 176.300 -0.681 0.000 0.992 449 D CA 1.780 55.469 54.000 -0.518 0.000 0.833 449 D CB -0.676 39.931 40.800 -0.321 0.000 0.954 449 D HN 0.533 nan 8.370 nan 0.000 0.455 450 H N -0.341 118.296 119.070 -0.722 0.000 2.415 450 H HA 0.025 2.112 4.556 -4.116 0.000 0.297 450 H C 2.200 177.189 175.328 -0.566 0.000 1.048 450 H CA 0.264 55.890 56.048 -0.703 0.000 1.365 450 H CB 0.468 29.609 29.762 -1.034 0.000 1.421 450 H HN 0.094 nan 8.280 nan 0.000 0.533 451 I N 1.382 121.628 120.570 -0.539 0.000 2.226 451 I HA -0.239 1.463 4.170 -4.114 0.000 0.245 451 I C 2.510 178.404 176.117 -0.372 0.000 1.100 451 I CA 1.122 62.141 61.300 -0.469 0.000 1.374 451 I CB -0.728 36.931 38.000 -0.568 0.000 1.057 451 I HN 0.170 nan 8.210 nan 0.000 0.413 452 K N 0.979 121.070 120.400 -0.514 0.000 2.026 452 K HA -0.167 1.685 4.320 -4.114 0.000 0.208 452 K C 2.209 178.620 176.600 -0.315 0.000 1.048 452 K CA 1.625 57.642 56.287 -0.449 0.000 0.929 452 K CB 0.005 32.035 32.500 -0.785 0.000 0.713 452 K HN 0.243 nan 8.250 nan 0.000 0.439 453 A N 1.617 124.219 122.820 -0.364 0.000 1.908 453 A HA -0.197 1.655 4.320 -4.114 0.000 0.218 453 A C 1.612 179.083 177.584 -0.188 0.000 1.181 453 A CA 2.122 53.993 52.037 -0.277 0.000 0.627 453 A CB -0.555 18.235 19.000 -0.350 0.000 0.818 453 A HN 0.380 nan 8.150 nan 0.000 0.445 454 D N -0.563 119.727 120.400 -0.184 0.000 2.224 454 D HA 0.099 2.270 4.640 -4.114 0.000 0.205 454 D C 1.718 177.973 176.300 -0.075 0.000 0.965 454 D CA 1.409 55.343 54.000 -0.110 0.000 0.852 454 D CB -0.059 40.681 40.800 -0.101 0.000 0.947 454 D HN 0.468 nan 8.370 nan 0.000 0.494 455 A N -0.035 122.733 122.820 -0.086 0.000 2.287 455 A HA 0.151 2.002 4.320 -4.114 0.000 0.214 455 A C 0.975 178.551 177.584 -0.014 0.000 1.228 455 A CA 0.012 52.031 52.037 -0.030 0.000 0.939 455 A CB -0.249 18.744 19.000 -0.011 0.000 0.992 455 A HN 0.197 nan 8.150 nan 0.000 0.502 456 T N -2.297 112.230 114.554 -0.045 0.000 2.932 456 T HA 0.426 2.308 4.350 -4.114 0.000 0.312 456 T C 1.257 175.941 174.700 -0.028 0.000 1.071 456 T CA 0.595 62.676 62.100 -0.030 0.000 1.128 456 T CB 1.128 69.967 68.868 -0.049 0.000 0.984 456 T HN 1.606 nan 8.240 nan 0.000 0.549 457 G N 0.602 109.385 108.800 -0.029 0.000 2.218 457 G HA2 -0.252 1.240 3.960 -4.114 0.000 0.216 457 G HA3 -0.252 1.240 3.960 -4.114 0.000 0.216 457 G C 0.705 175.580 174.900 -0.041 0.000 0.994 457 G CA 0.327 45.404 45.100 -0.038 0.000 0.637 457 G HN 1.061 nan 8.290 nan 0.000 0.505 458 T N -0.134 114.407 114.554 -0.023 0.000 3.134 458 T HA 0.342 2.224 4.350 -4.114 0.000 0.260 458 T C 1.505 176.147 174.700 -0.095 0.000 1.027 458 T CA 1.104 63.178 62.100 -0.045 0.000 0.913 458 T CB 0.016 68.927 68.868 0.072 0.000 1.046 458 T HN 0.429 nan 8.240 nan 0.000 0.553 459 E N 0.468 120.637 120.200 -0.053 0.000 2.110 459 E HA -0.106 1.775 4.350 -4.114 0.000 0.193 459 E C 1.645 178.228 176.600 -0.029 0.000 0.988 459 E CA 1.103 57.490 56.400 -0.022 0.000 0.804 459 E CB 0.001 29.691 29.700 -0.017 0.000 0.745 459 E HN 0.386 nan 8.360 nan 0.000 0.458 460 M N -0.067 119.467 119.600 -0.110 0.000 2.495 460 M HA 0.260 2.271 4.480 -4.114 0.000 0.237 460 M C 0.077 176.248 176.300 -0.215 0.000 1.131 460 M CA 0.088 55.279 55.300 -0.181 0.000 1.032 460 M CB 0.409 32.849 32.600 -0.266 0.000 1.513 460 M HN 0.000 nan 8.290 nan 0.000 0.488 461 A N -0.006 122.650 122.820 -0.273 0.000 2.483 461 A HA 0.206 2.057 4.320 -4.114 0.000 0.238 461 A C 0.433 177.871 177.584 -0.244 0.000 1.070 461 A CA -0.268 51.518 52.037 -0.419 0.000 0.770 461 A CB -0.269 18.317 19.000 -0.690 0.000 1.008 461 A HN 0.438 nan 8.150 nan 0.000 0.497 462 F N 0.778 120.662 119.950 -0.110 0.000 2.250 462 F HA -0.178 1.879 4.527 -4.117 0.000 0.301 462 F C 1.964 177.887 175.800 0.206 0.000 1.077 462 F CA 1.881 59.934 58.000 0.089 0.000 1.348 462 F CB -1.200 37.876 39.000 0.127 0.000 1.040 462 F HN 0.823 nan 8.300 nan 0.000 0.509 463 Y N -2.152 118.382 120.300 0.391 0.000 2.516 463 Y HA 0.095 2.175 4.550 -4.116 0.000 0.291 463 Y C 1.812 177.795 175.900 0.139 0.000 1.131 463 Y CA 0.497 58.757 58.100 0.267 0.000 1.281 463 Y CB -1.023 37.508 38.460 0.118 0.000 1.013 463 Y HN -0.079 nan 8.280 nan 0.000 0.554 464 N N -0.524 118.180 118.700 0.007 0.000 2.513 464 N HA -0.099 2.172 4.740 -4.114 0.000 0.196 464 N C 1.541 177.050 175.510 -0.001 0.000 1.041 464 N CA 0.847 53.912 53.050 0.026 0.000 0.916 464 N CB -0.990 37.593 38.487 0.160 0.000 1.172 464 N HN 0.336 nan 8.380 nan 0.000 0.444 465 Y N 2.075 122.397 120.300 0.038 0.000 2.193 465 Y HA -0.102 1.979 4.550 -4.114 0.000 0.285 465 Y C 2.022 178.029 175.900 0.178 0.000 1.166 465 Y CA 1.868 60.060 58.100 0.153 0.000 1.181 465 Y CB -0.638 37.930 38.460 0.179 0.000 0.976 465 Y HN 0.080 nan 8.280 nan 0.000 0.520 466 G N -2.527 106.330 108.800 0.094 0.000 2.848 466 G HA2 -0.133 1.359 3.960 -4.114 0.000 0.208 466 G HA3 -0.133 1.359 3.960 -4.114 0.000 0.208 466 G C 0.596 175.120 174.900 -0.627 0.000 1.152 466 G CA 0.483 45.452 45.100 -0.218 0.000 0.789 466 G HN 0.586 nan 8.290 nan 0.000 0.531 467 W N -1.479 119.569 121.300 -0.419 0.000 2.977 467 W HA 0.391 2.593 4.660 -4.096 0.000 0.236 467 W C -0.511 175.784 176.519 -0.372 0.000 1.053 467 W CA -0.606 56.347 57.345 -0.653 0.000 1.375 467 W CB 0.625 29.226 29.460 -1.432 0.000 0.814 467 W HN 0.188 nan 8.180 nan 0.000 0.713 468 W N -0.192 121.305 121.300 0.328 0.000 3.645 468 W HA 0.393 2.581 4.660 -4.120 0.000 0.285 468 W C -1.501 175.122 176.519 0.173 0.000 1.266 468 W CA -1.405 56.083 57.345 0.238 0.000 1.212 468 W CB -0.056 29.461 29.460 0.096 0.000 1.306 468 W HN -0.388 nan 8.180 nan 0.000 0.552 469 D N 2.584 123.190 120.400 0.342 0.000 2.359 469 D HA 0.253 2.425 4.640 -4.114 0.000 0.230 469 D C 0.668 177.033 176.300 0.108 0.000 1.118 469 D CA -0.195 53.820 54.000 0.025 0.000 0.844 469 D CB 1.353 41.957 40.800 -0.327 0.000 1.059 469 D HN 0.667 nan 8.370 nan 0.000 0.493 470 L N 3.403 124.642 121.223 0.027 0.000 2.291 470 L HA -0.097 1.775 4.340 -4.114 0.000 0.214 470 L C 1.726 178.602 176.870 0.009 0.000 1.120 470 L CA 0.592 55.351 54.840 -0.134 0.000 0.799 470 L CB -0.237 41.576 42.059 -0.410 0.000 0.925 470 L HN 0.354 nan 8.230 nan 0.000 0.446 471 N N -0.121 118.607 118.700 0.046 0.000 2.188 471 N HA -0.209 2.062 4.740 -4.114 0.000 0.184 471 N C 1.688 177.307 175.510 0.182 0.000 1.018 471 N CA 1.001 54.121 53.050 0.116 0.000 0.858 471 N CB -0.167 38.354 38.487 0.057 0.000 0.989 471 N HN 0.153 nan 8.380 nan 0.000 0.426 472 F N 2.078 122.015 119.950 -0.023 0.000 2.146 472 F HA -0.101 1.956 4.527 -4.117 0.000 0.298 472 F C 1.606 177.249 175.800 -0.263 0.000 1.096 472 F CA 1.210 59.082 58.000 -0.213 0.000 1.275 472 F CB -0.252 38.658 39.000 -0.150 0.000 1.008 472 F HN -0.050 nan 8.300 nan 0.000 0.480 473 D N 0.465 120.770 120.400 -0.157 0.000 2.116 473 D HA -0.205 1.967 4.640 -4.114 0.000 0.193 473 D C 1.894 178.099 176.300 -0.159 0.000 0.998 473 D CA 1.677 55.555 54.000 -0.203 0.000 0.836 473 D CB -0.573 40.183 40.800 -0.073 0.000 0.951 473 D HN 0.317 nan 8.370 nan 0.000 0.449 474 D N 0.185 120.568 120.400 -0.028 0.000 2.092 474 D HA -0.131 2.040 4.640 -4.114 0.000 0.193 474 D C 2.233 178.500 176.300 -0.054 0.000 0.994 474 D CA 0.373 54.391 54.000 0.029 0.000 0.828 474 D CB -0.470 40.395 40.800 0.109 0.000 0.963 474 D HN 0.108 nan 8.370 nan 0.000 0.450 475 L N 0.687 121.784 121.223 -0.209 0.000 1.989 475 L HA -0.184 1.688 4.340 -4.114 0.000 0.211 475 L C 2.402 179.046 176.870 -0.378 0.000 1.071 475 L CA 1.380 56.047 54.840 -0.289 0.000 0.749 475 L CB -0.492 41.181 42.059 -0.643 0.000 0.890 475 L HN -0.104 nan 8.230 nan 0.000 0.431 476 V N -1.250 118.179 119.914 -0.808 0.000 2.295 476 V HA -0.346 1.306 4.120 -4.114 0.000 0.246 476 V C 2.243 178.263 176.094 -0.124 0.000 1.049 476 V CA 2.141 63.963 62.300 -0.797 0.000 1.024 476 V CB -0.938 30.181 31.823 -1.173 0.000 0.648 476 V HN 0.613 nan 8.190 nan 0.000 0.447 477 Y N 1.176 121.362 120.300 -0.189 0.000 2.128 477 Y HA -0.239 1.843 4.550 -4.113 0.000 0.284 477 Y C 2.735 178.666 175.900 0.053 0.000 1.154 477 Y CA 1.858 59.932 58.100 -0.043 0.000 1.149 477 Y CB -0.228 38.135 38.460 -0.162 0.000 0.976 477 Y HN 0.080 nan 8.280 nan 0.000 0.505 478 R N -1.121 119.404 120.500 0.042 0.000 2.096 478 R HA -0.202 1.669 4.340 -4.114 0.000 0.235 478 R C 2.399 178.703 176.300 0.006 0.000 1.127 478 R CA 1.389 57.491 56.100 0.002 0.000 0.968 478 R CB -0.648 29.699 30.300 0.079 0.000 0.861 478 R HN 0.504 nan 8.270 nan 0.000 0.440 479 H N 0.805 119.903 119.070 0.046 0.000 2.363 479 H HA -0.074 2.013 4.556 -4.115 0.000 0.301 479 H C 0.825 176.164 175.328 0.019 0.000 1.074 479 H CA 1.508 57.623 56.048 0.113 0.000 1.354 479 H CB 0.337 30.268 29.762 0.281 0.000 1.397 479 H HN 0.095 nan 8.280 nan 0.000 0.516 480 D N -0.726 119.751 120.400 0.128 0.000 2.249 480 D HA 0.013 2.184 4.640 -4.114 0.000 0.205 480 D C -0.258 175.755 176.300 -0.477 0.000 0.962 480 D CA 0.634 54.598 54.000 -0.060 0.000 0.860 480 D CB 0.152 41.019 40.800 0.111 0.000 0.955 480 D HN 0.271 nan 8.370 nan 0.000 0.505 481 Y N -0.702 119.365 120.300 -0.389 0.000 2.462 481 Y HA 0.374 2.459 4.550 -4.109 0.000 0.346 481 Y C -2.142 173.514 175.900 -0.407 0.000 0.976 481 Y CA -2.646 55.169 58.100 -0.475 0.000 1.044 481 Y CB 1.902 39.877 38.460 -0.808 0.000 1.230 481 Y HN -0.281 nan 8.280 nan 0.000 0.455 482 P HA 0.035 nan 4.420 nan 0.000 0.268 482 P C -0.985 176.302 177.300 -0.023 0.000 1.204 482 P CA -0.218 62.848 63.100 -0.057 0.000 0.768 482 P CB 0.551 32.239 31.700 -0.018 0.000 0.842 483 Q N 1.518 121.318 119.800 -0.000 0.000 2.304 483 Q HA 0.219 2.090 4.340 -4.114 0.000 0.260 483 Q C -0.250 175.789 176.000 0.065 0.000 0.965 483 Q CA -0.186 55.655 55.803 0.064 0.000 0.898 483 Q CB 0.541 29.315 28.738 0.059 0.000 1.196 483 Q HN 0.202 nan 8.270 nan 0.000 0.402 484 V N 2.918 122.884 119.914 0.088 0.000 2.439 484 V HA 0.137 1.788 4.120 -4.114 0.000 0.282 484 V C 0.515 176.646 176.094 0.062 0.000 1.039 484 V CA -0.727 61.612 62.300 0.065 0.000 0.913 484 V CB 1.579 33.444 31.823 0.070 0.000 0.983 484 V HN 0.602 nan 8.190 nan 0.000 0.460 485 E N 2.870 123.100 120.200 0.050 0.000 2.316 485 E HA 0.361 2.242 4.350 -4.114 0.000 0.275 485 E C 0.274 176.921 176.600 0.079 0.000 1.029 485 E CA -0.096 56.339 56.400 0.059 0.000 0.871 485 E CB 1.598 31.323 29.700 0.041 0.000 1.022 485 E HN 0.809 nan 8.360 nan 0.000 0.418 486 A N 3.211 126.106 122.820 0.124 0.000 2.511 486 A HA 0.217 2.068 4.320 -4.114 0.000 0.242 486 A C -0.047 177.643 177.584 0.177 0.000 1.069 486 A CA -0.207 51.953 52.037 0.205 0.000 0.763 486 A CB 0.401 19.563 19.000 0.271 0.000 1.001 486 A HN 0.337 nan 8.150 nan 0.000 0.498 487 V N 2.554 122.568 119.914 0.167 0.000 2.540 487 V HA 0.358 2.009 4.120 -4.114 0.000 0.302 487 V C 0.707 176.839 176.094 0.063 0.000 1.035 487 V CA -0.563 61.767 62.300 0.050 0.000 0.873 487 V CB 1.699 33.421 31.823 -0.167 0.000 0.992 487 V HN 1.043 nan 8.190 nan 0.000 0.428 488 S N 6.032 121.722 115.700 -0.017 0.000 2.552 488 S HA 0.125 2.126 4.470 -4.114 0.000 0.289 488 S C -1.245 173.158 174.600 -0.329 0.000 1.304 488 S CA -0.547 57.492 58.200 -0.268 0.000 1.063 488 S CB 0.734 63.858 63.200 -0.126 0.000 0.848 488 S HN 0.713 nan 8.310 nan 0.000 0.499 489 P HA 0.156 nan 4.420 nan 0.000 0.253 489 P C 0.754 177.760 177.300 -0.490 0.000 1.281 489 P CA 0.208 62.845 63.100 -0.771 0.000 0.792 489 P CB -0.279 30.737 31.700 -1.140 0.000 1.193 490 A N 1.793 124.422 122.820 -0.318 0.000 1.978 490 A HA -0.168 1.684 4.320 -4.114 0.000 0.220 490 A C 1.708 179.216 177.584 -0.127 0.000 1.170 490 A CA 1.896 53.821 52.037 -0.188 0.000 0.636 490 A CB -0.925 18.005 19.000 -0.117 0.000 0.810 490 A HN 0.293 nan 8.150 nan 0.000 0.448 491 D N -1.200 119.146 120.400 -0.089 0.000 2.368 491 D HA 0.165 2.336 4.640 -4.114 0.000 0.218 491 D C 0.273 176.539 176.300 -0.056 0.000 1.112 491 D CA -0.471 53.509 54.000 -0.032 0.000 0.834 491 D CB -0.517 40.299 40.800 0.027 0.000 0.953 491 D HN 0.252 nan 8.370 nan 0.000 0.505 492 L N 1.940 123.021 121.223 -0.237 0.000 2.455 492 L HA 0.289 2.161 4.340 -4.114 0.000 0.272 492 L C -2.250 174.566 176.870 -0.091 0.000 1.174 492 L CA -1.232 53.417 54.840 -0.317 0.000 0.869 492 L CB 0.246 41.950 42.059 -0.591 0.000 1.130 492 L HN -0.232 nan 8.230 nan 0.000 0.474 493 P HA 0.076 nan 4.420 nan 0.000 0.264 493 P C -0.026 177.362 177.300 0.147 0.000 1.193 493 P CA 0.226 63.370 63.100 0.073 0.000 0.763 493 P CB 0.847 32.593 31.700 0.076 0.000 0.810 494 A N 3.802 126.684 122.820 0.103 0.000 1.933 494 A HA -0.096 1.756 4.320 -4.114 0.000 0.218 494 A C 0.883 178.586 177.584 0.198 0.000 1.175 494 A CA 1.172 53.293 52.037 0.140 0.000 0.628 494 A CB -0.713 18.354 19.000 0.112 0.000 0.814 494 A HN 0.527 nan 8.150 nan 0.000 0.444 495 L N -0.617 120.666 121.223 0.099 0.000 2.296 495 L HA 0.688 2.560 4.340 -4.114 0.000 0.286 495 L C -0.255 176.499 176.870 -0.193 0.000 1.023 495 L CA -0.214 54.632 54.840 0.011 0.000 0.812 495 L CB 1.347 43.405 42.059 -0.002 0.000 1.223 495 L HN 0.215 nan 8.230 nan 0.000 0.421 496 A N 5.150 127.725 122.820 -0.409 0.000 2.343 496 A HA 0.758 2.610 4.320 -4.114 0.000 0.308 496 A C -1.391 175.835 177.584 -0.596 0.000 1.092 496 A CA -0.542 51.028 52.037 -0.779 0.000 0.751 496 A CB 1.414 19.424 19.000 -1.650 0.000 1.203 496 A HN 0.473 nan 8.150 nan 0.000 0.452 497 V N 2.402 121.976 119.914 -0.567 0.000 2.459 497 V HA 0.459 2.110 4.120 -4.114 0.000 0.295 497 V C -1.042 174.738 176.094 -0.522 0.000 1.029 497 V CA -0.172 61.930 62.300 -0.331 0.000 0.874 497 V CB 1.067 32.811 31.823 -0.131 0.000 0.985 497 V HN 0.721 nan 8.190 nan 0.000 0.438 498 F N 2.660 122.666 119.950 0.093 0.000 2.310 498 F HA 0.317 2.403 4.527 -4.069 0.000 0.365 498 F C 1.105 176.963 175.800 0.097 0.000 1.080 498 F CA -0.541 57.501 58.000 0.070 0.000 1.187 498 F CB 0.966 40.003 39.000 0.061 0.000 1.465 498 F HN 0.523 nan 8.300 nan 0.000 0.496 499 D N 1.158 121.655 120.400 0.163 0.000 2.097 499 D HA -0.181 1.990 4.640 -4.114 0.000 0.197 499 D C 1.646 178.039 176.300 0.155 0.000 0.984 499 D CA 1.706 55.789 54.000 0.138 0.000 0.826 499 D CB 0.272 41.117 40.800 0.075 0.000 0.973 499 D HN 0.353 nan 8.370 nan 0.000 0.460 500 D N -0.380 120.104 120.400 0.139 0.000 2.149 500 D HA -0.125 2.046 4.640 -4.114 0.000 0.198 500 D C 2.014 178.459 176.300 0.241 0.000 0.990 500 D CA 1.007 55.091 54.000 0.140 0.000 0.839 500 D CB -0.247 40.613 40.800 0.100 0.000 0.948 500 D HN 0.584 nan 8.370 nan 0.000 0.460 501 I N -4.532 116.177 120.570 0.233 0.000 3.783 501 I HA 0.333 2.035 4.170 -4.114 0.000 0.310 501 I C 1.128 177.504 176.117 0.432 0.000 1.274 501 I CA 0.445 61.915 61.300 0.284 0.000 1.294 501 I CB 0.208 38.152 38.000 -0.095 0.000 1.051 501 I HN -0.022 nan 8.210 nan 0.000 0.435 502 G N 1.163 110.189 108.800 0.376 0.000 2.248 502 G HA2 -0.244 1.248 3.960 -4.114 0.000 0.263 502 G HA3 -0.244 1.248 3.960 -4.114 0.000 0.263 502 G C -0.756 174.385 174.900 0.401 0.000 1.082 502 G CA -0.155 45.141 45.100 0.326 0.000 0.863 502 G HN 0.418 nan 8.290 nan 0.000 0.495 503 W N -0.422 120.991 121.300 0.189 0.000 2.587 503 W HA 0.778 3.012 4.660 -4.043 0.000 0.324 503 W C 0.109 176.820 176.519 0.320 0.000 1.040 503 W CA -0.763 56.720 57.345 0.231 0.000 1.222 503 W CB 1.991 31.645 29.460 0.324 0.000 1.381 503 W HN 0.806 nan 8.180 nan 0.000 0.483 504 A N 2.118 125.220 122.820 0.470 0.000 2.343 504 A HA 0.864 2.716 4.320 -4.114 0.000 0.316 504 A C -0.409 177.385 177.584 0.351 0.000 1.104 504 A CA -0.607 51.646 52.037 0.360 0.000 0.768 504 A CB 0.932 20.125 19.000 0.321 0.000 1.213 504 A HN 0.514 nan 8.150 nan 0.000 0.456 505 T N -0.385 114.344 114.554 0.292 0.000 2.893 505 T HA 0.775 2.656 4.350 -4.114 0.000 0.291 505 T C -0.623 174.248 174.700 0.285 0.000 1.028 505 T CA -0.474 61.816 62.100 0.317 0.000 0.995 505 T CB 0.992 70.109 68.868 0.414 0.000 1.051 505 T HN 0.438 nan 8.240 nan 0.000 0.470 506 I N 2.211 122.973 120.570 0.320 0.000 2.436 506 I HA 0.374 2.075 4.170 -4.114 0.000 0.289 506 I C -0.440 175.798 176.117 0.202 0.000 1.010 506 I CA -0.892 60.537 61.300 0.215 0.000 1.098 506 I CB 2.096 40.107 38.000 0.019 0.000 1.266 506 I HN 0.464 nan 8.210 nan 0.000 0.434 507 Q N 6.018 125.940 119.800 0.203 0.000 2.333 507 Q HA 0.534 2.406 4.340 -4.114 0.000 0.267 507 Q C -1.050 174.999 176.000 0.082 0.000 1.012 507 Q CA -0.896 54.978 55.803 0.119 0.000 0.824 507 Q CB 3.063 31.784 28.738 -0.030 0.000 1.290 507 Q HN 0.369 nan 8.270 nan 0.000 0.449 508 K N 1.883 122.348 120.400 0.109 0.000 2.378 508 K HA 0.244 2.095 4.320 -4.114 0.000 0.252 508 K C -0.731 175.925 176.600 0.093 0.000 0.931 508 K CA -0.601 55.738 56.287 0.087 0.000 0.794 508 K CB 1.438 34.006 32.500 0.113 0.000 1.181 508 K HN 0.511 nan 8.250 nan 0.000 0.425 509 D N 1.914 122.316 120.400 0.004 0.000 2.708 509 D HA -0.239 1.932 4.640 -4.114 0.000 0.236 509 D C 0.986 177.234 176.300 -0.085 0.000 1.146 509 D CA 0.637 54.623 54.000 -0.024 0.000 0.662 509 D CB -0.760 40.060 40.800 0.033 0.000 1.059 509 D HN 0.666 nan 8.370 nan 0.000 0.428 510 M N 0.243 119.684 119.600 -0.265 0.000 2.144 510 M HA -0.253 1.759 4.480 -4.114 0.000 0.260 510 M C 2.165 178.203 176.300 -0.436 0.000 1.067 510 M CA 2.062 56.974 55.300 -0.647 0.000 1.095 510 M CB 0.121 32.362 32.600 -0.598 0.000 1.365 510 M HN 0.149 nan 8.290 nan 0.000 0.406 511 E N -0.441 119.587 120.200 -0.287 0.000 2.347 511 E HA -0.145 1.736 4.350 -4.114 0.000 0.196 511 E C -0.106 176.520 176.600 0.043 0.000 1.008 511 E CA 0.791 57.160 56.400 -0.052 0.000 0.852 511 E CB -0.662 28.975 29.700 -0.105 0.000 0.783 511 E HN 0.425 nan 8.360 nan 0.000 0.505 512 D N 2.308 122.720 120.400 0.021 0.000 2.396 512 D HA 0.121 2.292 4.640 -4.114 0.000 0.225 512 D C -1.664 174.720 176.300 0.140 0.000 1.121 512 D CA -2.606 51.442 54.000 0.080 0.000 0.853 512 D CB 1.642 42.482 40.800 0.067 0.000 1.043 512 D HN -0.123 nan 8.370 nan 0.000 0.500 513 P HA -0.080 nan 4.420 nan 0.000 0.223 513 P C 0.239 177.641 177.300 0.170 0.000 1.144 513 P CA 0.786 63.995 63.100 0.181 0.000 0.783 513 P CB 0.647 32.433 31.700 0.144 0.000 0.771 514 D N -1.140 119.348 120.400 0.146 0.000 2.389 514 D HA 0.093 2.264 4.640 -4.114 0.000 0.206 514 D C 1.694 178.099 176.300 0.176 0.000 1.055 514 D CA 0.352 54.440 54.000 0.146 0.000 0.856 514 D CB 0.256 41.132 40.800 0.127 0.000 0.957 514 D HN 0.213 nan 8.370 nan 0.000 0.509 515 R N -0.694 119.892 120.500 0.143 0.000 2.531 515 R HA 0.106 1.977 4.340 -4.114 0.000 0.316 515 R C 0.462 176.799 176.300 0.062 0.000 0.955 515 R CA -0.321 55.821 56.100 0.070 0.000 1.120 515 R CB 0.823 31.170 30.300 0.079 0.000 1.361 515 R HN 0.222 nan 8.270 nan 0.000 0.534 516 H N 1.485 120.584 119.070 0.049 0.000 3.107 516 H HA 0.068 2.154 4.556 -4.117 0.000 0.301 516 H C -0.897 174.516 175.328 0.141 0.000 0.981 516 H CA 0.252 56.369 56.048 0.116 0.000 1.443 516 H CB 0.547 30.449 29.762 0.233 0.000 1.479 516 H HN -0.001 nan 8.280 nan 0.000 0.564 517 L N 5.453 126.795 121.223 0.198 0.000 2.341 517 L HA 0.297 2.168 4.340 -4.114 0.000 0.278 517 L C -1.063 175.847 176.870 0.067 0.000 1.005 517 L CA -0.605 54.278 54.840 0.071 0.000 0.818 517 L CB 1.677 43.764 42.059 0.046 0.000 1.259 517 L HN 0.731 nan 8.230 nan 0.000 0.418 518 Q N 4.576 124.409 119.800 0.056 0.000 2.320 518 Q HA 0.336 2.207 4.340 -4.114 0.000 0.268 518 Q C -2.072 174.006 176.000 0.130 0.000 1.023 518 Q CA -0.618 55.216 55.803 0.051 0.000 0.744 518 Q CB 1.567 30.234 28.738 -0.120 0.000 1.246 518 Q HN 0.642 nan 8.270 nan 0.000 0.462 519 F N 4.673 124.625 119.950 0.003 0.000 2.458 519 F HA 0.647 2.710 4.527 -4.108 0.000 0.336 519 F C -1.567 174.293 175.800 0.099 0.000 1.114 519 F CA -0.772 57.225 58.000 -0.006 0.000 0.987 519 F CB 1.632 40.600 39.000 -0.053 0.000 1.130 519 F HN 0.320 nan 8.300 nan 0.000 0.458 520 V N 8.032 127.626 119.914 -0.533 0.000 2.638 520 V HA 0.599 2.250 4.120 -4.114 0.000 0.306 520 V C -2.135 173.750 176.094 -0.350 0.000 1.052 520 V CA -0.637 61.507 62.300 -0.260 0.000 0.885 520 V CB 1.487 33.367 31.823 0.095 0.000 0.999 520 V HN 0.737 nan 8.190 nan 0.000 0.424 521 F N 6.137 125.887 119.950 -0.333 0.000 2.469 521 F HA 0.766 2.826 4.527 -4.111 0.000 0.332 521 F C -0.352 175.275 175.800 -0.288 0.000 1.103 521 F CA -0.481 57.381 58.000 -0.230 0.000 0.979 521 F CB 1.652 40.639 39.000 -0.022 0.000 1.137 521 F HN 0.666 nan 8.300 nan 0.000 0.463 522 K N 3.790 123.412 120.400 -1.296 0.000 2.397 522 K HA 0.594 2.445 4.320 -4.114 0.000 0.253 522 K C -1.657 174.249 176.600 -1.156 0.000 0.932 522 K CA -0.593 54.917 56.287 -1.294 0.000 0.795 522 K CB 1.790 33.078 32.500 -2.020 0.000 1.159 522 K HN 0.592 nan 8.250 nan 0.000 0.424 523 S N 2.384 117.718 115.700 -0.610 0.000 2.423 523 S HA 0.197 2.198 4.470 -4.114 0.000 0.213 523 S C -1.746 172.795 174.600 -0.099 0.000 1.131 523 S CA -0.512 57.492 58.200 -0.326 0.000 1.155 523 S CB 1.004 64.121 63.200 -0.139 0.000 1.202 523 S HN 0.540 nan 8.310 nan 0.000 0.441 524 S N 4.143 119.795 115.700 -0.079 0.000 2.451 524 S HA 0.581 2.583 4.470 -4.114 0.000 0.301 524 S C -1.993 172.671 174.600 0.108 0.000 1.116 524 S CA -1.787 56.470 58.200 0.095 0.000 1.093 524 S CB 1.096 64.399 63.200 0.171 0.000 1.017 524 S HN 0.456 nan 8.310 nan 0.000 0.482 525 P HA -0.021 nan 4.420 nan 0.000 0.228 525 P C 0.014 177.262 177.300 -0.086 0.000 1.151 525 P CA 0.979 64.074 63.100 -0.009 0.000 0.770 525 P CB -0.080 31.574 31.700 -0.076 0.000 0.786 526 Y N -1.143 119.187 120.300 0.050 0.000 2.523 526 Y HA 0.193 2.302 4.550 -4.069 0.000 0.279 526 Y C 2.036 177.967 175.900 0.052 0.000 1.139 526 Y CA 0.672 58.817 58.100 0.075 0.000 1.296 526 Y CB -0.576 37.971 38.460 0.145 0.000 1.045 526 Y HN 0.003 nan 8.280 nan 0.000 0.538 527 G N 0.630 109.511 108.800 0.134 0.000 2.566 527 G HA2 -0.372 1.119 3.960 -4.114 0.000 0.280 527 G HA3 -0.372 1.119 3.960 -4.114 0.000 0.280 527 G C 0.848 175.787 174.900 0.065 0.000 1.225 527 G CA 0.462 45.598 45.100 0.061 0.000 0.966 527 G HN 0.575 nan 8.290 nan 0.000 0.560 528 S N -0.429 115.304 115.700 0.054 0.000 2.622 528 S HA 0.505 2.507 4.470 -4.114 0.000 0.236 528 S C 0.680 175.325 174.600 0.074 0.000 0.956 528 S CA 0.639 58.865 58.200 0.044 0.000 0.971 528 S CB 0.426 63.621 63.200 -0.008 0.000 0.782 528 S HN 1.317 nan 8.310 nan 0.000 0.468 529 L N 2.499 123.792 121.223 0.116 0.000 2.499 529 L HA 0.351 2.222 4.340 -4.114 0.000 0.273 529 L C 0.913 177.844 176.870 0.100 0.000 1.195 529 L CA 1.334 56.257 54.840 0.138 0.000 0.882 529 L CB 0.016 42.204 42.059 0.216 0.000 1.133 529 L HN 0.554 nan 8.230 nan 0.000 0.483 530 S N 2.865 118.596 115.700 0.051 0.000 4.151 530 S HA -0.336 1.666 4.470 -4.114 0.000 0.603 530 S C 1.275 175.750 174.600 -0.208 0.000 1.878 530 S CA 1.031 59.165 58.200 -0.111 0.000 4.246 530 S CB -1.197 61.929 63.200 -0.123 0.000 0.211 530 S HN 0.873 nan 8.310 nan 0.000 0.469 531 H N 1.427 120.412 119.070 -0.141 0.000 2.539 531 H HA 0.443 2.530 4.556 -4.116 0.000 0.269 531 H C 0.852 176.108 175.328 -0.120 0.000 0.980 531 H CA 0.764 56.739 56.048 -0.121 0.000 1.152 531 H CB -0.213 29.272 29.762 -0.462 0.000 1.407 531 H HN 0.268 nan 8.280 nan 0.000 0.564 532 S N -0.083 115.599 115.700 -0.031 0.000 2.617 532 S HA 0.256 2.257 4.470 -4.114 0.000 0.269 532 S C 0.234 174.834 174.600 0.000 0.000 1.292 532 S CA -0.427 57.728 58.200 -0.075 0.000 1.010 532 S CB 1.182 64.394 63.200 0.020 0.000 0.944 532 S HN 0.444 nan 8.310 nan 0.000 0.536 533 H N -0.956 118.113 119.070 -0.000 0.000 2.771 533 H HA 0.503 2.598 4.556 -4.101 0.000 0.344 533 H C 0.831 176.074 175.328 -0.143 0.000 1.260 533 H CA -1.210 54.790 56.048 -0.079 0.000 1.276 533 H CB 0.696 30.405 29.762 -0.089 0.000 1.881 533 H HN 0.726 nan 8.280 nan 0.000 0.615 534 G N 0.932 109.698 108.800 -0.056 0.000 3.316 534 G HA2 0.020 1.511 3.960 -4.114 0.000 0.255 534 G HA3 0.020 1.511 3.960 -4.114 0.000 0.255 534 G C -0.493 174.276 174.900 -0.217 0.000 0.880 534 G CA -0.215 44.780 45.100 -0.176 0.000 1.956 534 G HN 0.660 nan 8.290 nan 0.000 0.634 535 D N -0.520 119.753 120.400 -0.212 0.000 2.720 535 D HA 0.068 2.239 4.640 -4.114 0.000 0.285 535 D C 0.288 176.334 176.300 -0.422 0.000 1.359 535 D CA -0.470 53.362 54.000 -0.281 0.000 0.818 535 D CB 0.147 40.823 40.800 -0.207 0.000 1.108 535 D HN 0.089 nan 8.370 nan 0.000 0.474 536 Q N 0.804 120.405 119.800 -0.332 0.000 2.352 536 Q HA 0.245 2.117 4.340 -4.114 0.000 0.260 536 Q C 0.428 176.276 176.000 -0.254 0.000 0.976 536 Q CA -0.016 55.591 55.803 -0.326 0.000 0.881 536 Q CB 0.302 28.929 28.738 -0.186 0.000 1.235 536 Q HN 0.091 nan 8.270 nan 0.000 0.419 537 N N -1.250 117.220 118.700 -0.382 0.000 2.725 537 N HA -0.196 2.076 4.740 -4.114 0.000 0.249 537 N C -1.070 174.349 175.510 -0.152 0.000 1.103 537 N CA 1.145 54.060 53.050 -0.225 0.000 0.707 537 N CB -1.125 37.474 38.487 0.186 0.000 1.043 537 N HN 0.687 nan 8.380 nan 0.000 0.553 538 A N -0.224 122.335 122.820 -0.434 0.000 2.294 538 A HA 0.793 2.645 4.320 -4.114 0.000 0.330 538 A C 0.051 177.583 177.584 -0.086 0.000 1.133 538 A CA -0.616 51.285 52.037 -0.226 0.000 0.836 538 A CB 0.797 19.655 19.000 -0.238 0.000 1.190 538 A HN 0.325 nan 8.150 nan 0.000 0.492 539 F N -0.019 119.974 119.950 0.071 0.000 2.620 539 F HA 0.815 2.873 4.527 -4.115 0.000 0.320 539 F C -0.580 175.184 175.800 -0.061 0.000 1.069 539 F CA -1.229 56.800 58.000 0.048 0.000 0.953 539 F CB 1.434 40.492 39.000 0.095 0.000 1.322 539 F HN 0.595 nan 8.300 nan 0.000 0.479 540 V N 0.852 120.674 119.914 -0.153 0.000 3.007 540 V HA 0.870 2.521 4.120 -4.114 0.000 0.311 540 V C -1.863 174.181 176.094 -0.082 0.000 1.120 540 V CA -0.960 61.166 62.300 -0.291 0.000 0.980 540 V CB 1.573 33.050 31.823 -0.576 0.000 1.033 540 V HN 1.108 nan 8.190 nan 0.000 0.429 541 L N 3.506 124.707 121.223 -0.036 0.000 2.482 541 L HA 0.623 2.495 4.340 -4.114 0.000 0.269 541 L C -1.531 175.335 176.870 -0.007 0.000 0.967 541 L CA -0.449 54.401 54.840 0.018 0.000 0.851 541 L CB 1.735 43.779 42.059 -0.025 0.000 1.242 541 L HN 0.882 nan 8.230 nan 0.000 0.404 542 Y N 4.834 125.068 120.300 -0.110 0.000 2.331 542 Y HA 0.843 2.927 4.550 -4.108 0.000 0.338 542 Y C -0.526 175.310 175.900 -0.106 0.000 0.992 542 Y CA -0.098 57.928 58.100 -0.123 0.000 1.121 542 Y CB 1.458 39.812 38.460 -0.175 0.000 1.184 542 Y HN 0.863 nan 8.280 nan 0.000 0.469 543 A N 3.526 126.184 122.820 -0.270 0.000 2.572 543 A HA 0.520 2.371 4.320 -4.114 0.000 0.295 543 A C -0.862 176.626 177.584 -0.159 0.000 1.072 543 A CA -0.859 51.086 52.037 -0.153 0.000 0.691 543 A CB 0.450 19.465 19.000 0.025 0.000 1.291 543 A HN 1.055 nan 8.150 nan 0.000 0.404 544 H N 0.227 119.249 119.070 -0.080 0.000 2.655 544 H HA -0.161 1.926 4.556 -4.114 0.000 0.313 544 H C 1.380 176.633 175.328 -0.125 0.000 1.141 544 H CA 2.032 58.053 56.048 -0.044 0.000 1.138 544 H CB -1.237 28.521 29.762 -0.006 0.000 1.446 544 H HN 2.443 nan 8.280 nan 0.000 0.415 545 G N -0.554 108.134 108.800 -0.186 0.000 2.143 545 G HA2 -0.327 1.165 3.960 -4.114 0.000 0.248 545 G HA3 -0.327 1.165 3.960 -4.114 0.000 0.248 545 G C -0.007 174.577 174.900 -0.527 0.000 0.991 545 G CA 0.492 45.476 45.100 -0.192 0.000 0.689 545 G HN 0.757 nan 8.290 nan 0.000 0.522 546 E N -0.116 119.505 120.200 -0.965 0.000 2.331 546 E HA 0.312 2.194 4.350 -4.114 0.000 0.275 546 E C -1.190 175.030 176.600 -0.634 0.000 0.895 546 E CA -0.915 55.120 56.400 -0.609 0.000 0.753 546 E CB 1.115 30.706 29.700 -0.182 0.000 1.216 546 E HN 0.123 nan 8.360 nan 0.000 0.434 547 D N 4.236 124.553 120.400 -0.137 0.000 2.382 547 D HA 0.090 2.262 4.640 -4.114 0.000 0.259 547 D C 0.587 176.905 176.300 0.029 0.000 1.224 547 D CA 0.557 54.590 54.000 0.055 0.000 0.894 547 D CB 1.135 42.005 40.800 0.118 0.000 1.127 547 D HN 0.394 nan 8.370 nan 0.000 0.487 548 L N 1.391 122.601 121.223 -0.022 0.000 2.783 548 L HA 0.209 2.081 4.340 -4.114 0.000 0.174 548 L C 1.025 177.847 176.870 -0.080 0.000 1.235 548 L CA -0.005 54.845 54.840 0.017 0.000 0.862 548 L CB -0.186 41.768 42.059 -0.174 0.000 1.249 548 L HN 0.246 nan 8.230 nan 0.000 0.518 549 A N 2.032 124.693 122.820 -0.265 0.000 2.391 549 A HA 0.516 2.368 4.320 -4.114 0.000 0.316 549 A C -0.159 177.324 177.584 -0.168 0.000 1.381 549 A CA -0.383 51.565 52.037 -0.148 0.000 0.998 549 A CB -0.784 18.169 19.000 -0.080 0.000 1.147 549 A HN 0.359 nan 8.150 nan 0.000 0.545 550 I N -0.452 120.029 120.570 -0.148 0.000 2.664 550 I HA 0.606 2.307 4.170 -4.114 0.000 0.308 550 I C 0.128 176.079 176.117 -0.277 0.000 0.984 550 I CA -1.094 60.085 61.300 -0.202 0.000 1.213 550 I CB 1.164 39.041 38.000 -0.205 0.000 1.379 550 I HN 0.480 nan 8.210 nan 0.000 0.501 551 Q N 3.729 123.337 119.800 -0.320 0.000 2.281 551 Q HA 0.259 2.130 4.340 -4.114 0.000 0.267 551 Q C -0.346 175.519 176.000 -0.225 0.000 1.053 551 Q CA -0.024 55.587 55.803 -0.321 0.000 0.905 551 Q CB 0.668 29.209 28.738 -0.328 0.000 1.195 551 Q HN 0.867 nan 8.270 nan 0.000 0.398 552 S N 2.799 118.389 115.700 -0.183 0.000 2.730 552 S HA 0.939 2.940 4.470 -4.114 0.000 0.284 552 S C 0.425 175.150 174.600 0.208 0.000 1.153 552 S CA -0.111 58.116 58.200 0.044 0.000 0.995 552 S CB 1.239 64.571 63.200 0.220 0.000 1.058 552 S HN 1.380 nan 8.310 nan 0.000 0.552 553 G N -0.017 109.018 108.800 0.392 0.000 2.681 553 G HA2 -0.055 1.436 3.960 -4.114 0.000 0.220 553 G HA3 -0.055 1.436 3.960 -4.114 0.000 0.220 553 G C -1.327 173.315 174.900 -0.429 0.000 1.353 553 G CA -0.136 44.824 45.100 -0.233 0.000 0.872 553 G HN 1.011 nan 8.290 nan 0.000 0.557 554 Y N -2.320 117.886 120.300 -0.157 0.000 2.581 554 Y HA 0.562 2.643 4.550 -4.115 0.000 0.345 554 Y C 0.931 176.842 175.900 0.020 0.000 1.036 554 Y CA -0.201 57.884 58.100 -0.026 0.000 1.042 554 Y CB 1.403 39.825 38.460 -0.064 0.000 1.289 554 Y HN 0.697 nan 8.280 nan 0.000 0.471 555 Y N 1.103 121.483 120.300 0.134 0.000 2.114 555 Y HA -0.221 1.861 4.550 -4.114 0.000 0.284 555 Y C 1.761 177.703 175.900 0.070 0.000 1.143 555 Y CA 2.470 60.611 58.100 0.068 0.000 1.135 555 Y CB -0.260 38.212 38.460 0.019 0.000 0.980 555 Y HN 0.545 nan 8.280 nan 0.000 0.499 556 V N -1.681 118.282 119.914 0.082 0.000 0.639 556 V HA -0.421 1.230 4.120 -4.114 0.000 0.092 556 V C 0.303 176.337 176.094 -0.100 0.000 1.425 556 V CA 2.046 64.338 62.300 -0.012 0.000 3.259 556 V CB -2.206 29.591 31.823 -0.043 0.000 0.513 556 V HN 1.120 nan 8.190 nan 0.000 0.516 557 A N -1.860 120.719 122.820 -0.401 0.000 2.581 557 A HA 0.652 2.504 4.320 -4.114 0.000 0.294 557 A C -1.173 176.168 177.584 -0.406 0.000 1.035 557 A CA 0.020 51.855 52.037 -0.338 0.000 0.684 557 A CB 0.600 19.569 19.000 -0.052 0.000 1.282 557 A HN 1.391 nan 8.150 nan 0.000 0.417 558 F N 1.994 121.713 119.950 -0.386 0.000 2.578 558 F HA 0.298 2.355 4.527 -4.116 0.000 0.376 558 F C 1.268 177.045 175.800 -0.038 0.000 1.085 558 F CA 2.185 60.004 58.000 -0.302 0.000 1.260 558 F CB -0.091 38.857 39.000 -0.086 0.000 1.095 558 F HN 0.859 nan 8.300 nan 0.000 0.573 559 N N 0.691 119.316 118.700 -0.126 0.000 2.965 559 N HA -0.227 2.045 4.740 -4.114 0.000 0.232 559 N C -0.278 175.206 175.510 -0.044 0.000 0.913 559 N CA 0.537 53.555 53.050 -0.054 0.000 0.981 559 N CB -0.921 37.584 38.487 0.030 0.000 1.077 559 N HN 0.615 nan 8.380 nan 0.000 0.589 560 S N -0.229 115.447 115.700 -0.039 0.000 2.608 560 S HA 0.115 2.117 4.470 -4.114 0.000 0.261 560 S C 1.147 175.712 174.600 -0.059 0.000 1.314 560 S CA -0.384 57.787 58.200 -0.048 0.000 0.992 560 S CB 1.277 64.442 63.200 -0.060 0.000 0.935 560 S HN 0.203 nan 8.310 nan 0.000 0.564 561 Q N -0.385 119.386 119.800 -0.048 0.000 2.084 561 Q HA -0.162 1.709 4.340 -4.114 0.000 0.202 561 Q C 2.035 178.015 176.000 -0.034 0.000 0.978 561 Q CA 1.670 57.446 55.803 -0.045 0.000 0.844 561 Q CB -0.353 28.375 28.738 -0.017 0.000 0.898 561 Q HN 0.838 nan 8.270 nan 0.000 0.426 562 M N -0.026 119.558 119.600 -0.027 0.000 2.108 562 M HA -0.236 1.776 4.480 -4.114 0.000 0.261 562 M C 1.899 178.192 176.300 -0.011 0.000 1.066 562 M CA 2.024 57.300 55.300 -0.040 0.000 1.107 562 M CB -0.404 32.145 32.600 -0.086 0.000 1.356 562 M HN 0.243 nan 8.290 nan 0.000 0.406 563 H N -0.207 118.762 119.070 -0.169 0.000 2.276 563 H HA -0.027 2.061 4.556 -4.114 0.000 0.301 563 H C 1.700 176.878 175.328 -0.250 0.000 1.073 563 H CA 2.535 58.441 56.048 -0.236 0.000 1.311 563 H CB -0.554 29.015 29.762 -0.323 0.000 1.379 563 H HN 0.457 nan 8.280 nan 0.000 0.494 564 L N -0.528 120.407 121.223 -0.480 0.000 2.109 564 L HA -0.033 1.839 4.340 -4.114 0.000 0.207 564 L C 1.348 178.017 176.870 -0.335 0.000 1.086 564 L CA 1.652 56.161 54.840 -0.551 0.000 0.760 564 L CB -0.198 41.626 42.059 -0.391 0.000 0.910 564 L HN 0.369 nan 8.230 nan 0.000 0.437 565 N N -2.556 116.035 118.700 -0.181 0.000 2.220 565 N HA -0.048 2.223 4.740 -4.114 0.000 0.195 565 N C 1.125 176.657 175.510 0.038 0.000 1.123 565 N CA -0.150 52.850 53.050 -0.083 0.000 0.874 565 N CB 0.539 39.008 38.487 -0.029 0.000 0.995 565 N HN 0.372 nan 8.380 nan 0.000 0.498 566 W N 1.371 122.537 121.300 -0.222 0.000 4.082 566 W HA 0.215 2.406 4.660 -4.115 0.000 0.205 566 W C 1.327 177.669 176.519 -0.296 0.000 1.080 566 W CA 0.041 57.257 57.345 -0.214 0.000 2.482 566 W CB -0.014 29.323 29.460 -0.204 0.000 1.155 566 W HN -0.217 nan 8.180 nan 0.000 0.738 567 R N 0.752 121.109 120.500 -0.238 0.000 2.105 567 R HA -0.115 1.756 4.340 -4.114 0.000 0.239 567 R C 2.159 177.928 176.300 -0.885 0.000 1.135 567 R CA 1.465 57.270 56.100 -0.492 0.000 0.967 567 R CB -0.402 29.747 30.300 -0.251 0.000 0.861 567 R HN 0.156 nan 8.270 nan 0.000 0.442 568 R N 0.275 120.348 120.500 -0.711 0.000 2.189 568 R HA -0.020 1.851 4.340 -4.114 0.000 0.223 568 R C 0.457 176.501 176.300 -0.427 0.000 1.092 568 R CA 0.675 56.411 56.100 -0.607 0.000 0.989 568 R CB 0.143 30.158 30.300 -0.475 0.000 0.876 568 R HN 0.202 nan 8.270 nan 0.000 0.457 569 Q N -0.352 119.180 119.800 -0.445 0.000 2.227 569 Q HA 0.112 1.983 4.340 -4.114 0.000 0.245 569 Q C 0.974 176.723 176.000 -0.417 0.000 0.926 569 Q CA 0.091 55.665 55.803 -0.380 0.000 0.895 569 Q CB 1.367 29.909 28.738 -0.328 0.000 1.230 569 Q HN -0.018 nan 8.270 nan 0.000 0.450 570 T N 1.158 115.515 114.554 -0.329 0.000 2.881 570 T HA -0.167 1.714 4.350 -4.114 0.000 0.270 570 T C 1.520 176.016 174.700 -0.340 0.000 1.068 570 T CA 1.533 63.454 62.100 -0.298 0.000 1.131 570 T CB -0.055 68.684 68.868 -0.214 0.000 0.871 570 T HN 0.605 nan 8.240 nan 0.000 0.479 571 R N 1.975 122.253 120.500 -0.371 0.000 2.241 571 R HA -0.023 1.848 4.340 -4.114 0.000 0.224 571 R C 2.178 178.013 176.300 -0.775 0.000 1.101 571 R CA 1.586 57.441 56.100 -0.409 0.000 0.995 571 R CB -0.683 29.458 30.300 -0.266 0.000 0.870 571 R HN 0.481 nan 8.270 nan 0.000 0.463 572 S N -0.515 114.477 115.700 -1.180 0.000 2.593 572 S HA 0.145 2.147 4.470 -4.114 0.000 0.217 572 S C 0.229 174.043 174.600 -1.310 0.000 0.966 572 S CA -0.374 56.800 58.200 -1.710 0.000 0.914 572 S CB 0.180 62.168 63.200 -2.020 0.000 0.776 572 S HN 0.086 nan 8.310 nan 0.000 0.523 573 K N 2.293 122.267 120.400 -0.710 0.000 2.123 573 K HA 0.344 2.196 4.320 -4.114 0.000 0.248 573 K C -0.930 175.508 176.600 -0.269 0.000 0.969 573 K CA -0.539 55.471 56.287 -0.462 0.000 0.882 573 K CB 0.405 32.721 32.500 -0.306 0.000 1.080 573 K HN 0.247 nan 8.250 nan 0.000 0.441 574 N N 0.623 119.103 118.700 -0.366 0.000 2.807 574 N HA 0.334 2.606 4.740 -4.114 0.000 0.259 574 N C -0.706 174.493 175.510 -0.517 0.000 1.149 574 N CA -0.267 52.430 53.050 -0.588 0.000 1.042 574 N CB 0.560 38.321 38.487 -1.209 0.000 1.367 574 N HN 0.525 nan 8.380 nan 0.000 0.516 575 A N 0.380 122.981 122.820 -0.366 0.000 2.557 575 A HA 0.648 2.499 4.320 -4.114 0.000 0.292 575 A C -0.699 176.789 177.584 -0.160 0.000 1.139 575 A CA -0.773 51.156 52.037 -0.180 0.000 0.665 575 A CB 0.577 19.515 19.000 -0.102 0.000 1.285 575 A HN 0.212 nan 8.150 nan 0.000 0.433 576 V N -1.157 118.759 119.914 0.003 0.000 2.716 576 V HA 0.844 2.496 4.120 -4.114 0.000 0.304 576 V C -0.454 175.692 176.094 0.087 0.000 1.053 576 V CA -0.684 61.627 62.300 0.019 0.000 0.984 576 V CB 0.972 32.797 31.823 0.004 0.000 1.021 576 V HN 0.745 nan 8.190 nan 0.000 0.467 577 L N 3.907 125.156 121.223 0.044 0.000 2.346 577 L HA 0.649 2.520 4.340 -4.114 0.000 0.274 577 L C -0.692 176.174 176.870 -0.007 0.000 1.007 577 L CA -0.539 54.351 54.840 0.082 0.000 0.818 577 L CB 1.968 44.059 42.059 0.054 0.000 1.284 577 L HN 0.577 nan 8.230 nan 0.000 0.424 578 I N 1.678 122.250 120.570 0.004 0.000 2.418 578 I HA 0.400 2.101 4.170 -4.114 0.000 0.287 578 I C 0.795 176.928 176.117 0.026 0.000 1.008 578 I CA -0.353 60.920 61.300 -0.045 0.000 1.104 578 I CB 1.794 39.717 38.000 -0.128 0.000 1.264 578 I HN 0.846 nan 8.210 nan 0.000 0.438 579 G N 4.193 113.008 108.800 0.024 0.000 2.221 579 G HA2 -0.123 1.368 3.960 -4.114 0.000 0.265 579 G HA3 -0.123 1.368 3.960 -4.114 0.000 0.265 579 G C 1.004 175.929 174.900 0.043 0.000 1.041 579 G CA 0.515 45.639 45.100 0.041 0.000 0.807 579 G HN 1.549 nan 8.290 nan 0.000 0.502 580 G N -1.625 107.198 108.800 0.038 0.000 2.184 580 G HA2 -0.291 1.200 3.960 -4.114 0.000 0.264 580 G HA3 -0.291 1.200 3.960 -4.114 0.000 0.264 580 G C 0.347 175.275 174.900 0.046 0.000 0.975 580 G CA 1.352 46.476 45.100 0.040 0.000 0.642 580 G HN 1.092 nan 8.290 nan 0.000 0.536 581 K N 0.248 120.687 120.400 0.065 0.000 2.207 581 K HA 0.615 2.466 4.320 -4.114 0.000 0.255 581 K C 0.837 177.511 176.600 0.123 0.000 0.941 581 K CA -0.254 56.078 56.287 0.075 0.000 0.825 581 K CB 1.928 34.479 32.500 0.085 0.000 1.119 581 K HN 0.225 nan 8.250 nan 0.000 0.430 582 G N 0.941 109.773 108.800 0.053 0.000 2.702 582 G HA2 0.198 1.689 3.960 -4.114 0.000 0.254 582 G HA3 0.198 1.689 3.960 -4.114 0.000 0.254 582 G C -0.777 174.038 174.900 -0.142 0.000 1.380 582 G CA -0.521 44.580 45.100 0.003 0.000 1.042 582 G HN 0.523 nan 8.290 nan 0.000 0.557 583 Q N -1.013 118.550 119.800 -0.394 0.000 2.299 583 Q HA 0.211 2.082 4.340 -4.114 0.000 0.246 583 Q C -1.012 174.872 176.000 -0.192 0.000 0.935 583 Q CA -0.465 55.080 55.803 -0.430 0.000 0.887 583 Q CB 1.586 29.983 28.738 -0.569 0.000 1.223 583 Q HN 0.514 nan 8.270 nan 0.000 0.439 584 Y N 0.984 121.174 120.300 -0.183 0.000 2.729 584 Y HA 0.107 2.187 4.550 -4.116 0.000 0.331 584 Y C -0.077 175.747 175.900 -0.126 0.000 1.208 584 Y CA 0.432 58.458 58.100 -0.123 0.000 1.521 584 Y CB 0.218 38.626 38.460 -0.086 0.000 1.233 584 Y HN 0.639 nan 8.280 nan 0.000 0.539 585 A N 5.780 128.138 122.820 -0.769 0.000 2.709 585 A HA 0.300 2.151 4.320 -4.114 0.000 0.241 585 A C 0.070 177.261 177.584 -0.654 0.000 0.879 585 A CA -0.611 51.087 52.037 -0.564 0.000 1.120 585 A CB -0.104 18.689 19.000 -0.345 0.000 1.226 585 A HN 0.651 nan 8.150 nan 0.000 0.468 586 E N 0.380 119.927 120.200 -1.089 0.000 4.138 586 E HA 0.317 2.198 4.350 -4.114 0.000 0.369 586 E C 0.401 176.833 176.600 -0.280 0.000 0.995 586 E CA -0.309 55.735 56.400 -0.593 0.000 2.264 586 E CB 0.218 29.642 29.700 -0.460 0.000 1.876 586 E HN 0.125 nan 8.360 nan 0.000 0.697 587 K N 0.755 121.112 120.400 -0.071 0.000 2.352 587 K HA 0.056 1.907 4.320 -4.114 0.000 0.194 587 K C 0.089 176.748 176.600 0.098 0.000 1.038 587 K CA -0.017 56.275 56.287 0.009 0.000 1.023 587 K CB 0.229 32.727 32.500 -0.004 0.000 0.840 587 K HN 0.345 nan 8.250 nan 0.000 0.519 588 D N 2.055 122.581 120.400 0.209 0.000 2.382 588 D HA -0.008 2.164 4.640 -4.114 0.000 0.259 588 D C 0.531 176.915 176.300 0.139 0.000 1.224 588 D CA 0.366 54.456 54.000 0.151 0.000 0.894 588 D CB 0.936 41.799 40.800 0.105 0.000 1.127 588 D HN -0.035 nan 8.370 nan 0.000 0.487 589 K N 2.730 123.171 120.400 0.067 0.000 2.097 589 K HA -0.093 1.758 4.320 -4.114 0.000 0.205 589 K C 1.924 178.527 176.600 0.006 0.000 1.050 589 K CA 1.132 57.445 56.287 0.044 0.000 0.938 589 K CB 0.072 32.581 32.500 0.015 0.000 0.718 589 K HN 0.435 nan 8.250 nan 0.000 0.442 590 A N 1.355 124.163 122.820 -0.021 0.000 1.902 590 A HA -0.124 1.728 4.320 -4.114 0.000 0.217 590 A C 2.102 179.638 177.584 -0.081 0.000 1.181 590 A CA 1.268 53.272 52.037 -0.055 0.000 0.623 590 A CB -0.613 18.355 19.000 -0.055 0.000 0.818 590 A HN 0.149 nan 8.150 nan 0.000 0.443 591 L N -0.979 120.168 121.223 -0.127 0.000 2.109 591 L HA -0.132 1.740 4.340 -4.114 0.000 0.207 591 L C 3.106 179.908 176.870 -0.113 0.000 1.086 591 L CA 0.839 55.501 54.840 -0.296 0.000 0.760 591 L CB -0.607 40.987 42.059 -0.775 0.000 0.910 591 L HN 0.444 nan 8.230 nan 0.000 0.437 592 A N 0.569 123.477 122.820 0.148 0.000 1.883 592 A HA -0.289 1.563 4.320 -4.114 0.000 0.217 592 A C 2.353 179.994 177.584 0.095 0.000 1.186 592 A CA 2.163 54.341 52.037 0.235 0.000 0.624 592 A CB -0.520 18.592 19.000 0.187 0.000 0.822 592 A HN 0.311 nan 8.150 nan 0.000 0.444 593 R N -0.126 120.392 120.500 0.032 0.000 2.092 593 R HA -0.053 1.819 4.340 -4.114 0.000 0.231 593 R C 2.263 178.544 176.300 -0.032 0.000 1.119 593 R CA 1.877 57.971 56.100 -0.010 0.000 0.970 593 R CB -0.555 29.703 30.300 -0.070 0.000 0.864 593 R HN 0.537 nan 8.270 nan 0.000 0.440 594 R N -0.128 120.344 120.500 -0.047 0.000 2.120 594 R HA 0.050 1.921 4.340 -4.114 0.000 0.234 594 R C 0.228 176.508 176.300 -0.034 0.000 1.123 594 R CA 1.157 57.224 56.100 -0.055 0.000 0.975 594 R CB -0.295 29.954 30.300 -0.085 0.000 0.866 594 R HN 0.234 nan 8.270 nan 0.000 0.446 595 A N 1.008 123.821 122.820 -0.011 0.000 3.052 595 A HA 0.424 2.275 4.320 -4.114 0.000 0.266 595 A C -0.158 177.418 177.584 -0.013 0.000 1.855 595 A CA 0.297 52.336 52.037 0.003 0.000 1.473 595 A CB -0.513 18.530 19.000 0.072 0.000 1.038 595 A HN 0.434 nan 8.150 nan 0.000 0.619 596 A N 0.259 123.072 122.820 -0.012 0.000 2.288 596 A HA 0.917 2.768 4.320 -4.114 0.000 0.328 596 A C 0.502 178.085 177.584 -0.002 0.000 1.123 596 A CA -0.043 51.989 52.037 -0.009 0.000 0.861 596 A CB 1.129 20.121 19.000 -0.014 0.000 1.272 596 A HN 1.177 nan 8.150 nan 0.000 0.490 597 G N -0.823 107.977 108.800 -0.000 0.000 3.042 597 G HA2 0.762 2.253 3.960 -4.114 0.000 0.278 597 G HA3 0.762 2.253 3.960 -4.114 0.000 0.278 597 G C -0.859 174.064 174.900 0.038 0.000 1.371 597 G CA -0.683 44.426 45.100 0.016 0.000 1.009 597 G HN 1.246 nan 8.290 nan 0.000 0.523 598 R N -1.270 119.269 120.500 0.064 0.000 2.634 598 R HA 0.375 2.246 4.340 -4.114 0.000 0.263 598 R C -1.438 174.941 176.300 0.131 0.000 1.060 598 R CA -0.948 55.205 56.100 0.088 0.000 0.898 598 R CB 1.004 31.347 30.300 0.072 0.000 1.253 598 R HN 0.331 nan 8.270 nan 0.000 0.461 599 I N 3.864 124.524 120.570 0.151 0.000 2.421 599 I HA 0.010 1.711 4.170 -4.114 0.000 0.291 599 I C 1.559 177.750 176.117 0.122 0.000 1.089 599 I CA -0.124 61.284 61.300 0.180 0.000 1.354 599 I CB 1.114 39.228 38.000 0.190 0.000 1.413 599 I HN 0.607 nan 8.210 nan 0.000 0.513 600 V N 5.304 125.286 119.914 0.114 0.000 2.379 600 V HA -0.100 1.552 4.120 -4.114 0.000 0.245 600 V C 0.990 177.119 176.094 0.058 0.000 1.044 600 V CA 1.490 63.838 62.300 0.080 0.000 1.036 600 V CB -0.323 31.547 31.823 0.078 0.000 0.664 600 V HN 0.941 nan 8.190 nan 0.000 0.453 601 S N -2.025 113.704 115.700 0.048 0.000 2.552 601 S HA 0.682 2.684 4.470 -4.114 0.000 0.272 601 S C -1.339 173.262 174.600 0.003 0.000 1.150 601 S CA -0.715 57.500 58.200 0.024 0.000 0.849 601 S CB 2.218 65.427 63.200 0.015 0.000 1.113 601 S HN -0.058 nan 8.310 nan 0.000 0.458 602 V N 1.372 121.282 119.914 -0.008 0.000 2.577 602 V HA 0.637 2.288 4.120 -4.114 0.000 0.303 602 V C -0.772 175.294 176.094 -0.047 0.000 1.042 602 V CA -0.458 61.823 62.300 -0.032 0.000 0.872 602 V CB 1.574 33.390 31.823 -0.012 0.000 0.998 602 V HN 0.992 nan 8.190 nan 0.000 0.423 603 E N 2.689 122.838 120.200 -0.085 0.000 2.248 603 E HA 0.642 2.524 4.350 -4.114 0.000 0.267 603 E C -1.065 175.458 176.600 -0.128 0.000 0.877 603 E CA -0.645 55.701 56.400 -0.090 0.000 0.759 603 E CB 2.993 32.641 29.700 -0.088 0.000 1.182 603 E HN 0.754 nan 8.360 nan 0.000 0.418 604 E N 3.011 123.159 120.200 -0.086 0.000 2.263 604 E HA 0.226 2.108 4.350 -4.114 0.000 0.268 604 E C -1.565 175.009 176.600 -0.044 0.000 0.884 604 E CA -0.429 55.925 56.400 -0.076 0.000 0.766 604 E CB 1.223 30.897 29.700 -0.044 0.000 1.196 604 E HN 0.525 nan 8.360 nan 0.000 0.416 605 Q N 2.179 121.958 119.800 -0.034 0.000 2.553 605 Q HA 0.612 2.484 4.340 -4.114 0.000 0.293 605 Q C -2.751 173.248 176.000 -0.002 0.000 1.038 605 Q CA -2.530 53.273 55.803 0.000 0.000 0.777 605 Q CB 1.651 30.409 28.738 0.032 0.000 1.487 605 Q HN 0.226 nan 8.270 nan 0.000 0.426 606 P HA 0.097 nan 4.420 nan 0.000 0.263 606 P C 0.472 177.749 177.300 -0.038 0.000 1.195 606 P CA 1.655 64.741 63.100 -0.023 0.000 0.762 606 P CB 0.397 32.088 31.700 -0.015 0.000 0.799 607 G N 1.478 110.214 108.800 -0.107 0.000 2.179 607 G HA2 -0.241 1.250 3.960 -4.114 0.000 0.260 607 G HA3 -0.241 1.250 3.960 -4.114 0.000 0.260 607 G C 0.045 174.822 174.900 -0.204 0.000 0.977 607 G CA 0.266 45.251 45.100 -0.192 0.000 0.641 607 G HN 0.826 nan 8.290 nan 0.000 0.533 608 H N -0.900 118.026 119.070 -0.240 0.000 3.277 608 H HA 0.543 2.631 4.556 -4.113 0.000 0.329 608 H C -1.061 174.200 175.328 -0.113 0.000 1.034 608 H CA -0.310 55.606 56.048 -0.220 0.000 1.530 608 H CB 1.149 30.872 29.762 -0.066 0.000 1.837 608 H HN 0.296 nan 8.280 nan 0.000 0.493 609 V N 6.171 125.970 119.914 -0.193 0.000 2.398 609 V HA 0.487 2.138 4.120 -4.114 0.000 0.286 609 V C 0.234 176.131 176.094 -0.329 0.000 1.026 609 V CA -0.722 61.451 62.300 -0.211 0.000 0.868 609 V CB 1.474 33.295 31.823 -0.005 0.000 0.982 609 V HN 0.672 nan 8.190 nan 0.000 0.443 610 R N 4.985 125.248 120.500 -0.395 0.000 2.439 610 R HA 0.695 2.567 4.340 -4.114 0.000 0.310 610 R C -1.531 174.609 176.300 -0.266 0.000 0.955 610 R CA -0.543 55.320 56.100 -0.395 0.000 0.853 610 R CB 1.202 31.289 30.300 -0.356 0.000 1.171 610 R HN 0.710 nan 8.270 nan 0.000 0.449 611 I N 4.662 125.055 120.570 -0.296 0.000 2.406 611 I HA 0.336 2.038 4.170 -4.114 0.000 0.290 611 I C -0.640 175.293 176.117 -0.307 0.000 0.999 611 I CA -1.030 60.127 61.300 -0.239 0.000 1.124 611 I CB 2.197 40.058 38.000 -0.233 0.000 1.289 611 I HN 0.246 nan 8.210 nan 0.000 0.441 612 V N 4.764 124.590 119.914 -0.147 0.000 2.495 612 V HA 0.741 2.393 4.120 -4.114 0.000 0.298 612 V C 0.381 176.525 176.094 0.083 0.000 1.031 612 V CA -0.486 61.775 62.300 -0.065 0.000 0.871 612 V CB 1.630 33.452 31.823 -0.001 0.000 0.988 612 V HN 0.887 nan 8.190 nan 0.000 0.432 613 G N 1.720 110.641 108.800 0.201 0.000 2.452 613 G HA2 0.584 2.075 3.960 -4.114 0.000 0.324 613 G HA3 0.584 2.075 3.960 -4.114 0.000 0.324 613 G C -1.578 173.475 174.900 0.255 0.000 1.214 613 G CA -0.291 45.041 45.100 0.387 0.000 0.947 613 G HN 0.576 nan 8.290 nan 0.000 0.478 614 D N 1.229 121.742 120.400 0.188 0.000 2.453 614 D HA 0.487 2.658 4.640 -4.114 0.000 0.238 614 D C 0.459 176.840 176.300 0.134 0.000 1.088 614 D CA -0.611 53.477 54.000 0.147 0.000 0.854 614 D CB 1.501 42.368 40.800 0.112 0.000 1.076 614 D HN 0.373 nan 8.370 nan 0.000 0.533 615 A N 3.160 126.079 122.820 0.165 0.000 2.610 615 A HA 0.196 2.047 4.320 -4.114 0.000 0.286 615 A C 1.618 179.345 177.584 0.238 0.000 1.306 615 A CA -0.200 51.945 52.037 0.181 0.000 0.942 615 A CB -0.093 19.055 19.000 0.246 0.000 1.112 615 A HN 0.533 nan 8.150 nan 0.000 0.527 616 T N 0.674 115.329 114.554 0.169 0.000 2.607 616 T HA -0.210 1.671 4.350 -4.114 0.000 0.267 616 T C 2.340 177.129 174.700 0.149 0.000 1.049 616 T CA 2.062 64.256 62.100 0.157 0.000 1.162 616 T CB -0.348 68.581 68.868 0.101 0.000 0.863 616 T HN 0.669 nan 8.240 nan 0.000 0.424 617 A N 1.544 124.419 122.820 0.092 0.000 1.948 617 A HA 0.036 1.887 4.320 -4.114 0.000 0.220 617 A C 2.668 180.279 177.584 0.045 0.000 1.177 617 A CA 2.111 54.181 52.037 0.055 0.000 0.636 617 A CB -1.213 17.802 19.000 0.025 0.000 0.815 617 A HN 0.552 nan 8.150 nan 0.000 0.449 618 A N -1.568 121.271 122.820 0.032 0.000 1.940 618 A HA -0.113 1.739 4.320 -4.114 0.000 0.219 618 A C 2.077 179.576 177.584 -0.143 0.000 1.176 618 A CA 1.738 53.729 52.037 -0.077 0.000 0.631 618 A CB -0.703 18.197 19.000 -0.167 0.000 0.814 618 A HN 0.644 nan 8.150 nan 0.000 0.446 619 Y N -1.075 119.239 120.300 0.024 0.000 2.347 619 Y HA -0.029 2.053 4.550 -4.112 0.000 0.294 619 Y C 2.674 178.593 175.900 0.032 0.000 1.117 619 Y CA 1.139 59.255 58.100 0.027 0.000 1.184 619 Y CB -0.292 38.183 38.460 0.026 0.000 1.047 619 Y HN 0.313 nan 8.280 nan 0.000 0.546 620 Q N -0.074 119.829 119.800 0.172 0.000 2.096 620 Q HA -0.191 1.680 4.340 -4.114 0.000 0.204 620 Q C 2.296 178.329 176.000 0.055 0.000 0.982 620 Q CA 1.967 57.830 55.803 0.099 0.000 0.850 620 Q CB -0.297 28.485 28.738 0.073 0.000 0.901 620 Q HN 0.330 nan 8.270 nan 0.000 0.422 621 V N 0.381 120.313 119.914 0.029 0.000 2.380 621 V HA -0.297 1.354 4.120 -4.114 0.000 0.251 621 V C 1.972 178.071 176.094 0.008 0.000 1.063 621 V CA 1.990 64.276 62.300 -0.024 0.000 1.055 621 V CB -0.670 31.105 31.823 -0.080 0.000 0.657 621 V HN 0.414 nan 8.190 nan 0.000 0.455 622 A N -0.983 121.882 122.820 0.075 0.000 2.220 622 A HA 0.193 2.045 4.320 -4.114 0.000 0.211 622 A C 0.970 178.603 177.584 0.082 0.000 1.176 622 A CA 0.471 52.568 52.037 0.101 0.000 0.834 622 A CB -0.057 19.017 19.000 0.122 0.000 0.868 622 A HN 0.516 nan 8.150 nan 0.000 0.488 623 N N -0.499 118.251 118.700 0.084 0.000 2.701 623 N HA 0.217 2.489 4.740 -4.114 0.000 0.258 623 N C -2.685 172.866 175.510 0.069 0.000 1.262 623 N CA -1.523 51.574 53.050 0.080 0.000 0.780 623 N CB 1.570 40.120 38.487 0.104 0.000 1.380 623 N HN -0.145 nan 8.380 nan 0.000 0.548 624 P HA -0.072 nan 4.420 nan 0.000 0.228 624 P C 1.336 178.660 177.300 0.041 0.000 1.151 624 P CA 0.616 63.739 63.100 0.039 0.000 0.770 624 P CB 0.552 32.268 31.700 0.026 0.000 0.786 625 L N -1.073 120.177 121.223 0.045 0.000 2.275 625 L HA -0.036 1.836 4.340 -4.114 0.000 0.215 625 L C 1.070 177.969 176.870 0.048 0.000 1.119 625 L CA 0.437 55.303 54.840 0.043 0.000 0.790 625 L CB -0.548 41.537 42.059 0.044 0.000 0.919 625 L HN -0.184 nan 8.230 nan 0.000 0.443 626 V N 0.350 120.299 119.914 0.058 0.000 2.555 626 V HA -0.020 1.632 4.120 -4.114 0.000 0.286 626 V C 0.835 176.963 176.094 0.056 0.000 1.044 626 V CA 0.313 62.649 62.300 0.060 0.000 1.026 626 V CB 1.438 33.313 31.823 0.086 0.000 0.981 626 V HN 0.338 nan 8.190 nan 0.000 0.480 627 Q N 2.840 122.670 119.800 0.050 0.000 2.431 627 Q HA 0.295 2.166 4.340 -4.114 0.000 0.244 627 Q C 0.471 176.503 176.000 0.053 0.000 0.880 627 Q CA 0.212 56.043 55.803 0.048 0.000 0.954 627 Q CB 1.029 29.792 28.738 0.041 0.000 1.105 627 Q HN 0.659 nan 8.270 nan 0.000 0.558 628 K N 0.434 120.867 120.400 0.054 0.000 2.561 628 K HA 0.404 2.256 4.320 -4.114 0.000 0.254 628 K C -1.951 174.681 176.600 0.053 0.000 0.942 628 K CA -0.358 55.966 56.287 0.061 0.000 0.818 628 K CB 2.310 34.847 32.500 0.061 0.000 1.306 628 K HN -0.156 nan 8.250 nan 0.000 0.435 629 V N 5.726 125.679 119.914 0.065 0.000 2.445 629 V HA 0.411 2.063 4.120 -4.114 0.000 0.283 629 V C -0.776 175.381 176.094 0.105 0.000 1.014 629 V CA -0.720 61.608 62.300 0.047 0.000 0.852 629 V CB 1.113 32.930 31.823 -0.009 0.000 1.021 629 V HN 0.632 nan 8.190 nan 0.000 0.435 630 L N 4.457 125.749 121.223 0.116 0.000 2.346 630 L HA 0.759 2.630 4.340 -4.114 0.000 0.274 630 L C -0.140 176.840 176.870 0.183 0.000 1.007 630 L CA -0.716 54.213 54.840 0.148 0.000 0.818 630 L CB 2.334 44.471 42.059 0.129 0.000 1.284 630 L HN 0.591 nan 8.230 nan 0.000 0.424 631 R N 1.929 122.563 120.500 0.223 0.000 2.532 631 R HA 0.433 2.304 4.340 -4.114 0.000 0.297 631 R C -1.232 175.142 176.300 0.123 0.000 0.984 631 R CA -0.491 55.757 56.100 0.247 0.000 0.884 631 R CB 1.680 32.210 30.300 0.384 0.000 1.182 631 R HN 0.642 nan 8.270 nan 0.000 0.442 632 E N 2.233 122.491 120.200 0.097 0.000 2.191 632 E HA 0.232 2.114 4.350 -4.114 0.000 0.278 632 E C -0.803 175.746 176.600 -0.085 0.000 0.972 632 E CA -0.780 55.587 56.400 -0.055 0.000 0.804 632 E CB 2.087 31.821 29.700 0.057 0.000 1.110 632 E HN 0.638 nan 8.360 nan 0.000 0.394 633 T N 0.195 114.566 114.554 -0.305 0.000 2.809 633 T HA 0.426 2.308 4.350 -4.114 0.000 0.284 633 T C -0.811 173.725 174.700 -0.273 0.000 0.992 633 T CA -0.937 61.059 62.100 -0.173 0.000 0.957 633 T CB 0.585 69.385 68.868 -0.113 0.000 0.942 633 T HN 0.367 nan 8.240 nan 0.000 0.439 634 H N 2.204 121.270 119.070 -0.006 0.000 2.476 634 H HA 0.533 2.621 4.556 -4.113 0.000 0.328 634 H C -1.152 174.060 175.328 -0.192 0.000 1.073 634 H CA -0.795 55.222 56.048 -0.050 0.000 1.229 634 H CB 0.975 30.731 29.762 -0.010 0.000 1.432 634 H HN 0.623 nan 8.280 nan 0.000 0.477 635 F N 4.676 124.398 119.950 -0.381 0.000 2.361 635 F HA 0.431 2.492 4.527 -4.110 0.000 0.364 635 F C -1.048 174.338 175.800 -0.690 0.000 1.120 635 F CA -1.038 56.501 58.000 -0.769 0.000 1.102 635 F CB 0.412 39.011 39.000 -0.669 0.000 1.183 635 F HN 0.255 nan 8.300 nan 0.000 0.476 636 V N 6.727 125.863 119.914 -1.296 0.000 2.417 636 V HA 0.257 1.909 4.120 -4.114 0.000 0.291 636 V C -0.029 175.288 176.094 -1.295 0.000 1.024 636 V CA -1.089 60.383 62.300 -1.379 0.000 0.861 636 V CB 1.406 32.111 31.823 -1.863 0.000 0.985 636 V HN 0.777 nan 8.190 nan 0.000 0.436 637 N N 3.524 121.712 118.700 -0.853 0.000 2.710 637 N HA -0.207 2.064 4.740 -4.114 0.000 0.249 637 N C 0.318 175.473 175.510 -0.592 0.000 1.059 637 N CA 1.256 53.976 53.050 -0.550 0.000 0.720 637 N CB -0.868 37.421 38.487 -0.329 0.000 0.983 637 N HN 0.977 nan 8.380 nan 0.000 0.544 638 D N -2.544 117.284 120.400 -0.952 0.000 2.811 638 D HA -0.210 1.961 4.640 -4.114 0.000 0.231 638 D C 0.623 176.590 176.300 -0.556 0.000 1.157 638 D CA 1.419 54.873 54.000 -0.911 0.000 0.716 638 D CB -1.055 39.552 40.800 -0.321 0.000 1.077 638 D HN 0.573 nan 8.370 nan 0.000 0.428 639 S N -1.825 113.462 115.700 -0.687 0.000 3.330 639 S HA 0.153 2.154 4.470 -4.114 0.000 0.259 639 S C -0.101 174.479 174.600 -0.035 0.000 1.095 639 S CA 0.167 58.264 58.200 -0.171 0.000 0.841 639 S CB 0.710 63.898 63.200 -0.021 0.000 0.890 639 S HN 0.373 nan 8.310 nan 0.000 0.446 640 Y N -0.789 119.283 120.300 -0.380 0.000 2.677 640 Y HA 0.822 2.904 4.550 -4.114 0.000 0.334 640 Y C -1.414 174.175 175.900 -0.519 0.000 1.154 640 Y CA -1.806 56.130 58.100 -0.273 0.000 1.070 640 Y CB 0.546 38.897 38.460 -0.183 0.000 1.294 640 Y HN 0.009 nan 8.280 nan 0.000 0.475 641 F N 0.426 120.384 119.950 0.013 0.000 2.546 641 F HA 0.717 2.776 4.527 -4.114 0.000 0.320 641 F C -0.814 174.928 175.800 -0.096 0.000 1.076 641 F CA -1.280 56.641 58.000 -0.133 0.000 0.928 641 F CB 2.372 41.240 39.000 -0.220 0.000 1.189 641 F HN 0.303 nan 8.300 nan 0.000 0.465 642 V N 4.084 124.033 119.914 0.058 0.000 2.444 642 V HA 0.447 2.099 4.120 -4.114 0.000 0.294 642 V C -0.332 175.902 176.094 0.233 0.000 1.022 642 V CA -0.714 61.628 62.300 0.071 0.000 0.850 642 V CB 1.729 33.501 31.823 -0.085 0.000 0.992 642 V HN 0.533 nan 8.190 nan 0.000 0.426 643 I N 4.928 125.637 120.570 0.232 0.000 2.354 643 I HA 0.475 2.177 4.170 -4.114 0.000 0.292 643 I C -0.528 175.790 176.117 0.336 0.000 0.989 643 I CA -0.715 60.761 61.300 0.294 0.000 1.188 643 I CB 1.910 40.131 38.000 0.367 0.000 1.342 643 I HN 0.290 nan 8.210 nan 0.000 0.457 644 V N 5.300 125.415 119.914 0.336 0.000 2.357 644 V HA 0.317 1.968 4.120 -4.114 0.000 0.284 644 V C -0.517 175.758 176.094 0.302 0.000 1.018 644 V CA -0.682 61.809 62.300 0.317 0.000 0.841 644 V CB 1.432 33.444 31.823 0.314 0.000 0.991 644 V HN 0.595 nan 8.190 nan 0.000 0.437 645 D N 4.376 124.965 120.400 0.315 0.000 2.303 645 D HA 0.415 2.586 4.640 -4.114 0.000 0.236 645 D C -0.266 176.173 176.300 0.232 0.000 1.068 645 D CA -0.189 53.982 54.000 0.285 0.000 0.830 645 D CB 2.085 43.088 40.800 0.338 0.000 1.109 645 D HN 0.589 nan 8.370 nan 0.000 0.496 646 E N 1.281 121.596 120.200 0.191 0.000 2.185 646 E HA 0.445 2.327 4.350 -4.114 0.000 0.261 646 E C -0.919 175.760 176.600 0.131 0.000 0.879 646 E CA -0.780 55.721 56.400 0.168 0.000 0.756 646 E CB 2.542 32.334 29.700 0.153 0.000 1.152 646 E HN 0.081 nan 8.360 nan 0.000 0.416 647 V N 3.242 123.241 119.914 0.142 0.000 2.577 647 V HA 0.277 1.928 4.120 -4.114 0.000 0.303 647 V C -0.534 175.630 176.094 0.116 0.000 1.042 647 V CA -0.777 61.586 62.300 0.105 0.000 0.872 647 V CB 1.977 33.851 31.823 0.085 0.000 0.998 647 V HN 0.631 nan 8.190 nan 0.000 0.423 648 E N 3.054 123.300 120.200 0.077 0.000 2.187 648 E HA 0.668 2.549 4.350 -4.114 0.000 0.268 648 E C -1.346 175.287 176.600 0.055 0.000 0.896 648 E CA -0.479 55.959 56.400 0.062 0.000 0.766 648 E CB 2.154 31.885 29.700 0.052 0.000 1.142 648 E HN 0.640 nan 8.360 nan 0.000 0.408 649 C N 0.876 120.206 119.300 0.051 0.000 2.848 649 C HA 0.251 2.242 4.460 -4.114 0.000 0.317 649 C C 1.715 176.726 174.990 0.033 0.000 1.260 649 C CA -0.501 58.545 59.018 0.046 0.000 1.656 649 C CB 1.634 29.408 27.740 0.056 0.000 2.174 649 C HN 0.958 nan 8.230 nan 0.000 0.479 650 S N -0.208 115.512 115.700 0.032 0.000 2.489 650 S HA 0.074 2.076 4.470 -4.114 0.000 0.228 650 S C 0.112 174.725 174.600 0.022 0.000 0.995 650 S CA 0.600 58.816 58.200 0.025 0.000 0.934 650 S CB -0.120 63.095 63.200 0.025 0.000 0.771 650 S HN 0.848 nan 8.310 nan 0.000 0.522 651 E N 0.806 121.021 120.200 0.025 0.000 2.383 651 E HA 0.435 2.317 4.350 -4.114 0.000 0.275 651 E C -3.173 173.443 176.600 0.027 0.000 0.918 651 E CA -2.886 53.528 56.400 0.023 0.000 0.764 651 E CB 1.763 31.478 29.700 0.024 0.000 1.252 651 E HN -0.008 nan 8.360 nan 0.000 0.449 652 P HA -0.064 nan 4.420 nan 0.000 0.260 652 P C -1.131 176.201 177.300 0.054 0.000 1.185 652 P CA 0.465 63.581 63.100 0.026 0.000 0.763 652 P CB 0.405 32.114 31.700 0.016 0.000 0.776 653 Q N 2.193 122.049 119.800 0.094 0.000 2.347 653 Q HA 0.206 2.077 4.340 -4.114 0.000 0.271 653 Q C 0.190 176.302 176.000 0.188 0.000 1.064 653 Q CA -0.718 55.151 55.803 0.110 0.000 0.800 653 Q CB 2.457 31.250 28.738 0.092 0.000 1.304 653 Q HN 0.558 nan 8.270 nan 0.000 0.438 654 E N 1.331 121.599 120.200 0.113 0.000 2.371 654 E HA 0.438 2.319 4.350 -4.114 0.000 0.257 654 E C -0.844 175.721 176.600 -0.060 0.000 1.134 654 E CA -0.685 55.769 56.400 0.089 0.000 0.919 654 E CB 0.892 30.622 29.700 0.050 0.000 1.025 654 E HN 0.241 nan 8.360 nan 0.000 0.438 655 L N 1.054 122.142 121.223 -0.225 0.000 2.356 655 L HA 0.299 2.171 4.340 -4.114 0.000 0.277 655 L C -1.209 175.585 176.870 -0.126 0.000 0.996 655 L CA -0.255 54.389 54.840 -0.326 0.000 0.822 655 L CB 1.792 43.385 42.059 -0.776 0.000 1.256 655 L HN 0.613 nan 8.230 nan 0.000 0.413 656 Q N 3.786 123.561 119.800 -0.041 0.000 2.316 656 Q HA 0.352 2.224 4.340 -4.114 0.000 0.264 656 Q C -1.887 174.188 176.000 0.126 0.000 0.987 656 Q CA -0.313 55.512 55.803 0.037 0.000 0.852 656 Q CB 2.275 31.035 28.738 0.035 0.000 1.287 656 Q HN 0.707 nan 8.270 nan 0.000 0.448 657 W N 5.170 126.464 121.300 -0.012 0.000 2.471 657 W HA 0.552 2.745 4.660 -4.111 0.000 0.318 657 W C -1.805 174.776 176.519 0.102 0.000 1.034 657 W CA -0.465 56.935 57.345 0.092 0.000 1.224 657 W CB 0.754 30.316 29.460 0.171 0.000 1.335 657 W HN 0.488 nan 8.180 nan 0.000 0.452 658 L N 6.919 127.979 121.223 -0.273 0.000 2.342 658 L HA 0.708 2.580 4.340 -4.114 0.000 0.271 658 L C -0.640 175.898 176.870 -0.554 0.000 1.008 658 L CA -1.019 53.661 54.840 -0.267 0.000 0.818 658 L CB 1.789 43.709 42.059 -0.231 0.000 1.296 658 L HN 0.376 nan 8.230 nan 0.000 0.427 659 C N 1.689 120.777 119.300 -0.354 0.000 2.642 659 C HA 0.471 2.463 4.460 -4.114 0.000 0.344 659 C C -0.643 174.231 174.990 -0.194 0.000 1.110 659 C CA -0.392 58.495 59.018 -0.217 0.000 1.298 659 C CB 0.962 28.792 27.740 0.150 0.000 1.827 659 C HN 0.756 nan 8.230 nan 0.000 0.467 660 H N 3.127 122.173 119.070 -0.040 0.000 2.472 660 H HA 0.631 2.720 4.556 -4.112 0.000 0.338 660 H C 0.111 175.423 175.328 -0.026 0.000 1.133 660 H CA 0.089 56.146 56.048 0.014 0.000 1.216 660 H CB 2.196 31.937 29.762 -0.035 0.000 1.497 660 H HN 0.793 nan 8.280 nan 0.000 0.500 661 T N -0.693 113.880 114.554 0.031 0.000 2.883 661 T HA 0.296 2.177 4.350 -4.114 0.000 0.301 661 T C 1.114 175.707 174.700 -0.179 0.000 1.158 661 T CA -0.935 61.018 62.100 -0.244 0.000 1.007 661 T CB 1.227 69.683 68.868 -0.686 0.000 1.186 661 T HN 0.364 nan 8.240 nan 0.000 0.499 662 L N 0.626 121.698 121.223 -0.252 0.000 2.093 662 L HA 0.272 2.143 4.340 -4.114 0.000 0.208 662 L C 1.592 178.606 176.870 0.240 0.000 1.085 662 L CA 1.395 56.242 54.840 0.011 0.000 0.755 662 L CB -0.573 41.535 42.059 0.083 0.000 0.904 662 L HN 0.943 nan 8.230 nan 0.000 0.435 663 G N -1.560 107.329 108.800 0.148 0.000 2.685 663 G HA2 0.621 2.112 3.960 -4.114 0.000 0.298 663 G HA3 0.621 2.112 3.960 -4.114 0.000 0.298 663 G C -1.030 173.687 174.900 -0.305 0.000 1.277 663 G CA -0.187 44.981 45.100 0.114 0.000 0.986 663 G HN 0.115 nan 8.290 nan 0.000 0.487 664 A N 1.490 123.846 122.820 -0.775 0.000 2.524 664 A HA 0.539 2.391 4.320 -4.114 0.000 0.250 664 A C -1.776 175.780 177.584 -0.045 0.000 1.078 664 A CA -0.672 51.005 52.037 -0.601 0.000 0.761 664 A CB -0.219 18.527 19.000 -0.423 0.000 1.012 664 A HN 0.447 nan 8.150 nan 0.000 0.500 665 P HA 0.336 nan 4.420 nan 0.000 0.277 665 P C -0.926 176.440 177.300 0.109 0.000 1.240 665 P CA -0.332 62.864 63.100 0.161 0.000 0.798 665 P CB 0.854 32.653 31.700 0.164 0.000 0.979 666 Q N 0.419 120.296 119.800 0.128 0.000 2.230 666 Q HA 0.526 2.398 4.340 -4.114 0.000 0.253 666 Q C 0.271 176.358 176.000 0.145 0.000 0.919 666 Q CA -0.152 55.708 55.803 0.095 0.000 0.908 666 Q CB 1.057 29.829 28.738 0.057 0.000 1.245 666 Q HN 0.491 nan 8.270 nan 0.000 0.437 667 T N -1.850 112.778 114.554 0.122 0.000 2.932 667 T HA 0.912 2.793 4.350 -4.114 0.000 0.289 667 T C 0.119 174.887 174.700 0.113 0.000 1.039 667 T CA -0.506 61.691 62.100 0.163 0.000 1.024 667 T CB 1.845 70.802 68.868 0.147 0.000 1.090 667 T HN 0.561 nan 8.240 nan 0.000 0.496 668 G N -0.191 108.687 108.800 0.130 0.000 3.135 668 G HA2 0.443 1.934 3.960 -4.114 0.000 0.278 668 G HA3 0.443 1.934 3.960 -4.114 0.000 0.278 668 G C 0.375 175.335 174.900 0.101 0.000 1.302 668 G CA -0.802 44.349 45.100 0.085 0.000 0.880 668 G HN 0.796 nan 8.290 nan 0.000 0.574 669 R N -0.832 119.713 120.500 0.076 0.000 2.073 669 R HA -0.067 1.805 4.340 -4.114 0.000 0.234 669 R C 1.688 178.057 176.300 0.114 0.000 1.134 669 R CA 2.326 58.471 56.100 0.076 0.000 0.952 669 R CB -0.206 30.126 30.300 0.052 0.000 0.850 669 R HN 0.499 nan 8.270 nan 0.000 0.433 670 S N -1.105 114.682 115.700 0.143 0.000 3.009 670 S HA 0.184 2.185 4.470 -4.114 0.000 0.254 670 S C -0.392 174.383 174.600 0.292 0.000 1.004 670 S CA -0.267 58.071 58.200 0.230 0.000 1.119 670 S CB 0.589 63.889 63.200 0.166 0.000 1.075 670 S HN 0.310 nan 8.310 nan 0.000 0.618 671 S N 0.789 116.632 115.700 0.239 0.000 2.638 671 S HA 0.903 2.905 4.470 -4.114 0.000 0.274 671 S C -0.952 173.812 174.600 0.274 0.000 1.157 671 S CA -0.956 57.332 58.200 0.148 0.000 0.826 671 S CB 1.331 64.532 63.200 0.001 0.000 1.139 671 S HN 0.920 nan 8.310 nan 0.000 0.474 672 F N -1.110 118.898 119.950 0.096 0.000 2.643 672 F HA 0.880 2.938 4.527 -4.115 0.000 0.314 672 F C -0.792 175.033 175.800 0.042 0.000 1.096 672 F CA -1.066 56.985 58.000 0.084 0.000 0.953 672 F CB 1.638 40.719 39.000 0.135 0.000 1.345 672 F HN 0.922 nan 8.300 nan 0.000 0.468 673 R N 1.967 122.538 120.500 0.118 0.000 2.604 673 R HA 0.487 2.358 4.340 -4.114 0.000 0.281 673 R C -2.574 173.782 176.300 0.093 0.000 1.020 673 R CA -0.821 55.271 56.100 -0.014 0.000 0.899 673 R CB 2.248 32.554 30.300 0.011 0.000 1.205 673 R HN 0.938 nan 8.270 nan 0.000 0.450 674 Y N 3.873 124.055 120.300 -0.197 0.000 2.373 674 Y HA 0.487 2.569 4.550 -4.114 0.000 0.336 674 Y C -1.542 174.343 175.900 -0.024 0.000 0.979 674 Y CA -0.880 57.163 58.100 -0.096 0.000 1.080 674 Y CB 1.715 40.126 38.460 -0.082 0.000 1.190 674 Y HN 0.546 nan 8.280 nan 0.000 0.446 675 N N 4.017 122.301 118.700 -0.693 0.000 2.392 675 N HA 0.444 2.715 4.740 -4.114 0.000 0.283 675 N C 0.008 174.971 175.510 -0.912 0.000 1.003 675 N CA -0.075 52.615 53.050 -0.600 0.000 0.892 675 N CB 2.120 40.487 38.487 -0.200 0.000 1.193 675 N HN 0.984 nan 8.380 nan 0.000 0.487 676 G N 0.757 109.175 108.800 -0.635 0.000 2.714 676 G HA2 0.162 1.653 3.960 -4.114 0.000 0.197 676 G HA3 0.162 1.653 3.960 -4.114 0.000 0.197 676 G C 0.953 175.794 174.900 -0.099 0.000 1.449 676 G CA -0.117 44.819 45.100 -0.273 0.000 1.065 676 G HN 0.410 nan 8.290 nan 0.000 0.575 677 R N -0.177 120.320 120.500 -0.005 0.000 2.075 677 R HA 0.035 1.906 4.340 -4.114 0.000 0.226 677 R C 2.131 178.436 176.300 0.007 0.000 1.114 677 R CA 1.649 57.756 56.100 0.012 0.000 0.972 677 R CB -0.070 30.255 30.300 0.043 0.000 0.869 677 R HN 0.612 nan 8.270 nan 0.000 0.437 678 K N -1.785 118.619 120.400 0.006 0.000 2.491 678 K HA 0.363 2.215 4.320 -4.114 0.000 0.211 678 K C 0.035 176.637 176.600 0.003 0.000 1.210 678 K CA -0.005 56.291 56.287 0.013 0.000 1.003 678 K CB 1.267 33.785 32.500 0.030 0.000 1.009 678 K HN -0.005 nan 8.250 nan 0.000 0.577 679 A N 0.652 123.457 122.820 -0.024 0.000 2.485 679 A HA 0.866 2.717 4.320 -4.114 0.000 0.292 679 A C -0.674 176.828 177.584 -0.137 0.000 1.147 679 A CA -0.399 51.599 52.037 -0.065 0.000 0.750 679 A CB 1.835 20.818 19.000 -0.029 0.000 1.331 679 A HN 0.279 nan 8.150 nan 0.000 0.419 680 G N -1.379 107.211 108.800 -0.350 0.000 2.645 680 G HA2 0.796 2.288 3.960 -4.114 0.000 0.292 680 G HA3 0.796 2.288 3.960 -4.114 0.000 0.292 680 G C -1.267 173.200 174.900 -0.723 0.000 1.415 680 G CA -0.003 44.828 45.100 -0.448 0.000 0.785 680 G HN 1.892 nan 8.290 nan 0.000 0.483 681 F N -0.998 118.639 119.950 -0.520 0.000 2.678 681 F HA 0.774 2.834 4.527 -4.112 0.000 0.308 681 F C -1.451 174.404 175.800 0.092 0.000 1.118 681 F CA -1.710 56.128 58.000 -0.270 0.000 0.959 681 F CB 1.511 40.470 39.000 -0.069 0.000 1.305 681 F HN 0.839 nan 8.300 nan 0.000 0.443 682 Y N 0.936 121.224 120.300 -0.019 0.000 2.524 682 Y HA 0.977 3.059 4.550 -4.113 0.000 0.344 682 Y C -0.552 175.058 175.900 -0.482 0.000 1.012 682 Y CA -1.581 56.294 58.100 -0.376 0.000 1.068 682 Y CB 1.941 40.284 38.460 -0.196 0.000 1.249 682 Y HN 0.984 nan 8.280 nan 0.000 0.468 683 G N 1.881 110.080 108.800 -1.002 0.000 2.542 683 G HA2 0.524 2.016 3.960 -4.114 0.000 0.311 683 G HA3 0.524 2.016 3.960 -4.114 0.000 0.311 683 G C -2.146 172.358 174.900 -0.660 0.000 1.298 683 G CA -0.995 43.539 45.100 -0.943 0.000 0.973 683 G HN 0.840 nan 8.290 nan 0.000 0.487 684 Q N 0.886 120.370 119.800 -0.526 0.000 2.289 684 Q HA 0.474 2.345 4.340 -4.114 0.000 0.270 684 Q C -1.541 174.180 176.000 -0.464 0.000 1.038 684 Q CA -0.752 54.841 55.803 -0.349 0.000 0.812 684 Q CB 1.735 30.474 28.738 0.001 0.000 1.300 684 Q HN 0.421 nan 8.270 nan 0.000 0.427 685 F N 4.373 124.325 119.950 0.003 0.000 2.462 685 F HA 0.141 2.199 4.527 -4.115 0.000 0.354 685 F C 1.323 177.149 175.800 0.043 0.000 1.192 685 F CA -0.517 57.471 58.000 -0.020 0.000 1.173 685 F CB 0.625 39.593 39.000 -0.054 0.000 1.402 685 F HN 0.497 nan 8.300 nan 0.000 0.595 686 V N 0.722 120.747 119.914 0.185 0.000 2.951 686 V HA 0.062 1.714 4.120 -4.114 0.000 0.255 686 V C -0.326 175.907 176.094 0.231 0.000 1.088 686 V CA 0.734 63.140 62.300 0.177 0.000 1.109 686 V CB -0.778 31.147 31.823 0.169 0.000 0.724 686 V HN 0.568 nan 8.190 nan 0.000 0.471 687 Y N -0.036 120.324 120.300 0.100 0.000 2.442 687 Y HA 0.649 2.730 4.550 -4.115 0.000 0.330 687 Y C -0.757 175.204 175.900 0.101 0.000 1.100 687 Y CA -0.506 57.638 58.100 0.072 0.000 1.034 687 Y CB 1.972 40.458 38.460 0.042 0.000 1.285 687 Y HN -0.023 nan 8.280 nan 0.000 0.440 688 S N 3.525 118.894 115.700 -0.551 0.000 2.673 688 S HA 0.265 2.267 4.470 -4.114 0.000 0.256 688 S C 0.438 174.701 174.600 -0.562 0.000 1.141 688 S CA 0.043 58.003 58.200 -0.400 0.000 1.109 688 S CB 0.410 63.530 63.200 -0.133 0.000 1.101 688 S HN 0.916 nan 8.310 nan 0.000 0.471 689 S N 3.370 118.726 115.700 -0.574 0.000 2.399 689 S HA 0.001 2.002 4.470 -4.114 0.000 0.231 689 S C 1.801 176.303 174.600 -0.163 0.000 1.022 689 S CA 1.197 59.198 58.200 -0.332 0.000 0.983 689 S CB -0.615 62.542 63.200 -0.073 0.000 0.803 689 S HN 0.864 nan 8.310 nan 0.000 0.480 690 G N 0.500 109.236 108.800 -0.106 0.000 2.813 690 G HA2 0.489 1.981 3.960 -4.114 0.000 0.209 690 G HA3 0.489 1.981 3.960 -4.114 0.000 0.209 690 G C 0.658 175.532 174.900 -0.043 0.000 1.150 690 G CA 0.079 45.118 45.100 -0.100 0.000 0.785 690 G HN 1.237 nan 8.290 nan 0.000 0.535 691 G N -1.060 107.705 108.800 -0.059 0.000 2.334 691 G HA2 0.365 1.856 3.960 -4.114 0.000 0.566 691 G HA3 0.365 1.856 3.960 -4.114 0.000 0.566 691 G C -0.264 174.607 174.900 -0.049 0.000 1.413 691 G CA -0.342 44.731 45.100 -0.046 0.000 0.993 691 G HN 0.849 nan 8.290 nan 0.000 0.642 692 T N 0.713 115.244 114.554 -0.039 0.000 2.817 692 T HA 0.526 2.408 4.350 -4.114 0.000 0.295 692 T C -2.139 172.532 174.700 -0.048 0.000 0.958 692 T CA -0.767 61.312 62.100 -0.034 0.000 1.157 692 T CB 1.008 69.868 68.868 -0.012 0.000 0.898 692 T HN 0.414 nan 8.240 nan 0.000 0.536 693 P HA 0.177 nan 4.420 nan 0.000 0.268 693 P C -0.375 176.860 177.300 -0.109 0.000 1.205 693 P CA -0.335 62.665 63.100 -0.167 0.000 0.771 693 P CB 0.418 31.869 31.700 -0.415 0.000 0.858 694 Q N 1.842 121.589 119.800 -0.088 0.000 2.290 694 Q HA 0.507 2.379 4.340 -4.114 0.000 0.259 694 Q C -0.481 175.492 176.000 -0.046 0.000 0.941 694 Q CA -0.428 55.350 55.803 -0.042 0.000 0.912 694 Q CB 1.186 29.912 28.738 -0.020 0.000 1.244 694 Q HN 0.405 nan 8.270 nan 0.000 0.441 695 I N 1.516 122.087 120.570 0.001 0.000 2.378 695 I HA 0.354 2.056 4.170 -4.114 0.000 0.291 695 I C -0.394 175.749 176.117 0.043 0.000 0.992 695 I CA -0.282 61.042 61.300 0.039 0.000 1.154 695 I CB 1.867 39.955 38.000 0.147 0.000 1.315 695 I HN 0.481 nan 8.210 nan 0.000 0.448 696 S N 3.861 119.574 115.700 0.022 0.000 2.570 696 S HA 0.812 2.813 4.470 -4.114 0.000 0.286 696 S C -0.559 174.018 174.600 -0.038 0.000 1.099 696 S CA -0.773 57.426 58.200 -0.003 0.000 0.913 696 S CB 2.062 65.250 63.200 -0.019 0.000 1.085 696 S HN 0.683 nan 8.310 nan 0.000 0.480 697 A N 1.806 124.601 122.820 -0.042 0.000 2.292 697 A HA 0.759 2.610 4.320 -4.114 0.000 0.319 697 A C -0.666 176.842 177.584 -0.126 0.000 1.206 697 A CA -0.586 51.404 52.037 -0.079 0.000 0.835 697 A CB 0.386 19.378 19.000 -0.014 0.000 1.164 697 A HN 0.618 nan 8.150 nan 0.000 0.505 698 V N 2.761 122.513 119.914 -0.270 0.000 2.555 698 V HA 0.363 2.015 4.120 -4.114 0.000 0.302 698 V C -0.021 175.948 176.094 -0.208 0.000 1.038 698 V CA -0.607 61.509 62.300 -0.306 0.000 0.887 698 V CB 1.678 33.141 31.823 -0.599 0.000 0.991 698 V HN 0.990 nan 8.190 nan 0.000 0.434 699 E N 2.188 122.298 120.200 -0.151 0.000 2.204 699 E HA 0.615 2.496 4.350 -4.114 0.000 0.276 699 E C 0.572 176.932 176.600 -0.400 0.000 0.974 699 E CA 0.359 56.603 56.400 -0.259 0.000 0.815 699 E CB 1.898 31.515 29.700 -0.138 0.000 1.119 699 E HN 1.062 nan 8.360 nan 0.000 0.393 700 G N 1.903 110.269 108.800 -0.724 0.000 2.598 700 G HA2 -0.286 1.206 3.960 -4.114 0.000 0.244 700 G HA3 -0.286 1.206 3.960 -4.114 0.000 0.244 700 G C -0.691 173.502 174.900 -1.179 0.000 1.302 700 G CA -0.436 44.055 45.100 -1.014 0.000 0.903 700 G HN 0.410 nan 8.290 nan 0.000 0.575 701 F N 1.248 120.840 119.950 -0.596 0.000 2.451 701 F HA 0.510 2.569 4.527 -4.112 0.000 0.367 701 F C -1.987 173.583 175.800 -0.383 0.000 1.100 701 F CA -1.891 55.568 58.000 -0.902 0.000 1.171 701 F CB 1.558 39.805 39.000 -1.255 0.000 1.405 701 F HN 0.152 nan 8.300 nan 0.000 0.482 702 P HA 0.064 nan 4.420 nan 0.000 0.265 702 P C 0.065 177.429 177.300 0.106 0.000 1.193 702 P CA 0.524 63.662 63.100 0.063 0.000 0.765 702 P CB 0.490 32.269 31.700 0.131 0.000 0.823 703 D N -0.283 120.168 120.400 0.085 0.000 3.076 703 D HA -0.141 2.030 4.640 -4.114 0.000 0.218 703 D C -0.176 176.172 176.300 0.080 0.000 1.156 703 D CA 0.989 55.035 54.000 0.077 0.000 0.921 703 D CB -0.963 39.885 40.800 0.079 0.000 1.113 703 D HN 0.255 nan 8.370 nan 0.000 0.418 704 I N 1.277 121.910 120.570 0.105 0.000 2.378 704 I HA 0.150 1.851 4.170 -4.114 0.000 0.291 704 I C 0.744 176.955 176.117 0.155 0.000 0.992 704 I CA -0.824 60.550 61.300 0.125 0.000 1.154 704 I CB 1.512 39.583 38.000 0.118 0.000 1.315 704 I HN -0.216 nan 8.210 nan 0.000 0.448 705 D N 9.730 130.169 120.400 0.064 0.000 2.479 705 D HA -0.005 2.167 4.640 -4.114 0.000 0.257 705 D C -1.385 174.828 176.300 -0.145 0.000 1.230 705 D CA -1.154 52.831 54.000 -0.025 0.000 0.912 705 D CB 1.124 41.896 40.800 -0.048 0.000 1.130 705 D HN 0.267 nan 8.370 nan 0.000 0.515 706 P HA -0.147 nan 4.420 nan 0.000 0.222 706 P C 0.886 177.686 177.300 -0.833 0.000 1.147 706 P CA 0.988 63.554 63.100 -0.889 0.000 0.790 706 P CB 0.262 31.685 31.700 -0.462 0.000 0.780 707 K N 0.298 120.447 120.400 -0.419 0.000 2.147 707 K HA -0.132 1.719 4.320 -4.114 0.000 0.205 707 K C 2.046 178.484 176.600 -0.271 0.000 1.049 707 K CA 1.102 57.214 56.287 -0.291 0.000 0.936 707 K CB -0.238 32.161 32.500 -0.170 0.000 0.722 707 K HN 0.285 nan 8.250 nan 0.000 0.446 708 E N 0.103 120.154 120.200 -0.249 0.000 2.204 708 E HA -0.162 1.719 4.350 -4.114 0.000 0.195 708 E C 0.756 177.324 176.600 -0.052 0.000 0.990 708 E CA 1.053 57.391 56.400 -0.104 0.000 0.821 708 E CB 0.005 29.703 29.700 -0.002 0.000 0.750 708 E HN 0.454 nan 8.360 nan 0.000 0.477 709 F N -0.144 119.727 119.950 -0.132 0.000 2.850 709 F HA 0.395 2.453 4.527 -4.114 0.000 0.329 709 F C 0.013 175.714 175.800 -0.164 0.000 1.182 709 F CA -0.909 56.971 58.000 -0.200 0.000 1.270 709 F CB -0.338 38.548 39.000 -0.190 0.000 0.979 709 F HN -0.302 nan 8.300 nan 0.000 0.506 710 E N 1.580 121.625 120.200 -0.257 0.000 2.465 710 E HA 0.329 2.211 4.350 -4.114 0.000 0.260 710 E C 1.438 177.977 176.600 -0.102 0.000 0.980 710 E CA 1.102 57.384 56.400 -0.197 0.000 0.927 710 E CB 0.367 29.961 29.700 -0.176 0.000 0.934 710 E HN 0.779 nan 8.360 nan 0.000 0.459 711 G N 3.748 112.511 108.800 -0.062 0.000 2.184 711 G HA2 -0.276 1.215 3.960 -4.114 0.000 0.264 711 G HA3 -0.276 1.215 3.960 -4.114 0.000 0.264 711 G C 0.049 174.935 174.900 -0.024 0.000 0.975 711 G CA 0.437 45.517 45.100 -0.033 0.000 0.642 711 G HN 0.455 nan 8.290 nan 0.000 0.536 712 L N 0.933 122.136 121.223 -0.034 0.000 2.325 712 L HA 0.478 2.349 4.340 -4.114 0.000 0.278 712 L C -0.154 176.768 176.870 0.087 0.000 1.023 712 L CA -1.329 53.465 54.840 -0.077 0.000 0.811 712 L CB 1.051 42.811 42.059 -0.497 0.000 1.249 712 L HN -0.069 nan 8.230 nan 0.000 0.431 713 D N 2.634 123.128 120.400 0.156 0.000 2.488 713 D HA 0.160 2.332 4.640 -4.114 0.000 0.238 713 D C 0.189 176.584 176.300 0.159 0.000 1.138 713 D CA 0.187 54.301 54.000 0.191 0.000 0.873 713 D CB 0.994 41.944 40.800 0.250 0.000 1.183 713 D HN 0.351 nan 8.370 nan 0.000 0.458 714 I N -0.598 119.977 120.570 0.009 0.000 2.720 714 I HA 0.252 1.953 4.170 -4.114 0.000 0.287 714 I C 0.308 176.203 176.117 -0.370 0.000 1.090 714 I CA -0.405 60.685 61.300 -0.351 0.000 1.384 714 I CB 0.602 38.301 38.000 -0.501 0.000 1.420 714 I HN 0.276 nan 8.210 nan 0.000 0.575 715 H N 1.649 120.379 119.070 -0.566 0.000 2.585 715 H HA 0.600 2.687 4.556 -4.115 0.000 0.338 715 H C -1.024 173.958 175.328 -0.576 0.000 1.295 715 H CA -0.757 55.113 56.048 -0.297 0.000 1.356 715 H CB 1.178 30.933 29.762 -0.011 0.000 1.736 715 H HN 0.644 nan 8.280 nan 0.000 0.629 716 H N -1.400 117.704 119.070 0.057 0.000 2.907 716 H HA 0.351 2.438 4.556 -4.115 0.000 0.361 716 H C -0.907 174.487 175.328 0.110 0.000 1.194 716 H CA -0.847 55.202 56.048 0.002 0.000 1.152 716 H CB 1.629 31.368 29.762 -0.037 0.000 1.867 716 H HN 0.774 nan 8.280 nan 0.000 0.561 717 H N -2.105 116.977 119.070 0.021 0.000 3.016 717 H HA 0.625 2.713 4.556 -4.113 0.000 0.362 717 H C -1.622 173.617 175.328 -0.150 0.000 1.233 717 H CA -1.292 54.646 56.048 -0.185 0.000 1.124 717 H CB 0.888 30.296 29.762 -0.590 0.000 1.850 717 H HN 0.487 nan 8.280 nan 0.000 0.549 718 V N 1.233 121.037 119.914 -0.183 0.000 2.539 718 V HA 0.433 2.085 4.120 -4.114 0.000 0.292 718 V C -0.562 175.509 176.094 -0.038 0.000 1.045 718 V CA -0.450 61.726 62.300 -0.207 0.000 0.945 718 V CB 0.996 32.516 31.823 -0.506 0.000 0.993 718 V HN 1.012 nan 8.190 nan 0.000 0.464 719 C N 6.807 126.106 119.300 -0.001 0.000 2.340 719 C HA 0.882 2.873 4.460 -4.114 0.000 0.323 719 C C 0.178 175.206 174.990 0.064 0.000 1.260 719 C CA -0.176 58.894 59.018 0.087 0.000 1.464 719 C CB 0.134 27.918 27.740 0.074 0.000 2.156 719 C HN 1.171 nan 8.230 nan 0.000 0.476 720 A N 4.978 127.846 122.820 0.079 0.000 2.291 720 A HA 0.713 2.565 4.320 -4.114 0.000 0.311 720 A C -0.035 177.485 177.584 -0.107 0.000 1.224 720 A CA -0.148 51.805 52.037 -0.140 0.000 0.821 720 A CB 0.739 19.341 19.000 -0.662 0.000 1.172 720 A HN 0.850 nan 8.150 nan 0.000 0.494 721 T N 2.348 116.845 114.554 -0.095 0.000 2.771 721 T HA 0.492 2.373 4.350 -4.114 0.000 0.281 721 T C -0.165 174.492 174.700 -0.071 0.000 0.982 721 T CA -0.248 61.818 62.100 -0.056 0.000 0.978 721 T CB 1.096 69.953 68.868 -0.018 0.000 0.930 721 T HN 0.404 nan 8.240 nan 0.000 0.447 722 V N 6.410 126.290 119.914 -0.058 0.000 2.427 722 V HA 0.338 1.989 4.120 -4.114 0.000 0.286 722 V C -2.137 174.000 176.094 0.072 0.000 1.034 722 V CA -2.428 59.871 62.300 -0.002 0.000 0.893 722 V CB 1.126 32.964 31.823 0.025 0.000 0.982 722 V HN 0.677 nan 8.190 nan 0.000 0.452 723 P HA 0.003 nan 4.420 nan 0.000 0.266 723 P C -0.132 177.245 177.300 0.128 0.000 1.186 723 P CA 0.244 63.386 63.100 0.070 0.000 0.767 723 P CB 0.369 32.090 31.700 0.035 0.000 0.820 724 A N 2.244 125.121 122.820 0.094 0.000 2.546 724 A HA 0.427 2.279 4.320 -4.114 0.000 0.243 724 A C 0.399 178.005 177.584 0.037 0.000 1.063 724 A CA 0.996 53.098 52.037 0.108 0.000 0.757 724 A CB -0.780 18.260 19.000 0.066 0.000 0.991 724 A HN 0.604 nan 8.150 nan 0.000 0.503 725 A N 1.711 124.526 122.820 -0.008 0.000 2.587 725 A HA 0.676 2.528 4.320 -4.114 0.000 0.293 725 A C 0.812 178.307 177.584 -0.149 0.000 1.087 725 A CA 0.203 52.124 52.037 -0.192 0.000 0.692 725 A CB 0.380 19.091 19.000 -0.481 0.000 1.291 725 A HN 1.554 nan 8.150 nan 0.000 0.407 726 T N -1.305 113.183 114.554 -0.111 0.000 3.043 726 T HA 0.161 2.043 4.350 -4.114 0.000 0.263 726 T C 0.575 175.242 174.700 -0.056 0.000 1.094 726 T CA 0.593 62.665 62.100 -0.047 0.000 1.127 726 T CB -0.091 68.763 68.868 -0.023 0.000 0.905 726 T HN 0.499 nan 8.240 nan 0.000 0.490 727 R N 1.353 121.767 120.500 -0.143 0.000 2.561 727 R HA 0.450 2.322 4.340 -4.114 0.000 0.297 727 R C -1.233 174.926 176.300 -0.236 0.000 0.969 727 R CA -0.521 55.521 56.100 -0.097 0.000 0.879 727 R CB 1.332 31.611 30.300 -0.035 0.000 1.178 727 R HN 0.439 nan 8.270 nan 0.000 0.445 728 H N 1.910 121.004 119.070 0.040 0.000 2.538 728 H HA 0.394 2.482 4.556 -4.114 0.000 0.353 728 H C -0.413 174.965 175.328 0.084 0.000 1.109 728 H CA -0.601 55.474 56.048 0.045 0.000 1.192 728 H CB 3.044 32.831 29.762 0.042 0.000 1.555 728 H HN 0.292 nan 8.280 nan 0.000 0.518 729 R N 3.538 124.168 120.500 0.217 0.000 2.468 729 R HA 0.295 2.166 4.340 -4.114 0.000 0.302 729 R C -1.770 174.676 176.300 0.243 0.000 1.041 729 R CA -0.830 55.422 56.100 0.253 0.000 0.899 729 R CB 0.663 31.152 30.300 0.314 0.000 1.167 729 R HN 0.348 nan 8.270 nan 0.000 0.483 730 L N 5.156 126.531 121.223 0.253 0.000 2.333 730 L HA 0.519 2.390 4.340 -4.114 0.000 0.280 730 L C -1.474 175.567 176.870 0.286 0.000 1.004 730 L CA -0.581 54.396 54.840 0.229 0.000 0.820 730 L CB 2.087 44.259 42.059 0.189 0.000 1.247 730 L HN 0.359 nan 8.230 nan 0.000 0.416 731 V N 3.871 123.967 119.914 0.303 0.000 2.378 731 V HA 0.561 2.212 4.120 -4.114 0.000 0.288 731 V C -0.214 176.007 176.094 0.211 0.000 1.016 731 V CA -0.409 62.067 62.300 0.294 0.000 0.840 731 V CB 1.597 33.623 31.823 0.339 0.000 0.994 731 V HN 0.838 nan 8.190 nan 0.000 0.431 732 T N 6.152 120.781 114.554 0.126 0.000 2.786 732 T HA 0.525 2.406 4.350 -4.114 0.000 0.283 732 T C -0.538 174.151 174.700 -0.018 0.000 0.992 732 T CA -0.321 61.715 62.100 -0.106 0.000 0.954 732 T CB 1.415 70.027 68.868 -0.426 0.000 0.934 732 T HN 0.460 nan 8.240 nan 0.000 0.440 733 L N 4.979 126.168 121.223 -0.057 0.000 2.290 733 L HA 0.592 2.463 4.340 -4.114 0.000 0.284 733 L C -1.204 175.575 176.870 -0.152 0.000 1.078 733 L CA -0.204 54.607 54.840 -0.048 0.000 0.815 733 L CB 0.216 42.294 42.059 0.032 0.000 1.162 733 L HN 0.604 nan 8.230 nan 0.000 0.435 734 L N 6.393 127.592 121.223 -0.040 0.000 2.343 734 L HA 0.514 2.385 4.340 -4.114 0.000 0.278 734 L C -1.045 175.842 176.870 0.029 0.000 0.996 734 L CA -0.778 54.066 54.840 0.008 0.000 0.831 734 L CB 1.924 44.093 42.059 0.184 0.000 1.232 734 L HN 0.362 nan 8.230 nan 0.000 0.413 735 V N 4.987 124.777 119.914 -0.206 0.000 2.304 735 V HA 0.357 2.008 4.120 -4.114 0.000 0.278 735 V C -2.125 174.061 176.094 0.153 0.000 1.018 735 V CA -1.517 60.717 62.300 -0.111 0.000 0.814 735 V CB 1.360 32.887 31.823 -0.493 0.000 1.021 735 V HN 0.536 nan 8.190 nan 0.000 0.440 736 P HA 0.544 nan 4.420 nan 0.000 0.281 736 P C -1.553 175.902 177.300 0.258 0.000 1.249 736 P CA -0.292 62.929 63.100 0.202 0.000 0.810 736 P CB 1.192 33.046 31.700 0.257 0.000 1.008 737 Y N -2.689 117.672 120.300 0.101 0.000 2.592 737 Y HA 0.538 2.621 4.550 -4.113 0.000 0.334 737 Y C -0.323 175.252 175.900 -0.542 0.000 1.136 737 Y CA -1.452 56.484 58.100 -0.274 0.000 1.042 737 Y CB 0.206 38.617 38.460 -0.081 0.000 1.325 737 Y HN 0.332 nan 8.280 nan 0.000 0.457 738 S N 1.535 116.835 115.700 -0.666 0.000 2.562 738 S HA 0.221 2.222 4.470 -4.114 0.000 0.281 738 S C 0.824 175.472 174.600 0.079 0.000 1.333 738 S CA -0.553 57.498 58.200 -0.247 0.000 1.052 738 S CB 0.291 63.397 63.200 -0.157 0.000 0.884 738 S HN 0.808 nan 8.310 nan 0.000 0.506 739 L N 4.013 125.287 121.223 0.086 0.000 2.275 739 L HA -0.067 1.804 4.340 -4.114 0.000 0.215 739 L C 2.379 179.280 176.870 0.053 0.000 1.119 739 L CA 1.092 56.004 54.840 0.120 0.000 0.790 739 L CB -0.371 41.727 42.059 0.066 0.000 0.919 739 L HN 0.723 nan 8.230 nan 0.000 0.443 740 K N 0.356 120.775 120.400 0.032 0.000 2.155 740 K HA -0.053 1.799 4.320 -4.114 0.000 0.203 740 K C 0.143 176.744 176.600 0.002 0.000 1.052 740 K CA 0.881 57.178 56.287 0.016 0.000 0.948 740 K CB 0.172 32.686 32.500 0.024 0.000 0.728 740 K HN 0.318 nan 8.250 nan 0.000 0.448 741 E N 0.792 120.991 120.200 -0.001 0.000 3.108 741 E HA 0.185 2.066 4.350 -4.114 0.000 0.228 741 E C -2.688 173.876 176.600 -0.060 0.000 1.176 741 E CA -1.868 54.520 56.400 -0.020 0.000 0.881 741 E CB 1.404 31.109 29.700 0.008 0.000 1.354 741 E HN -0.010 nan 8.360 nan 0.000 0.400 742 P HA 0.003 nan 4.420 nan 0.000 0.268 742 P C -0.561 176.540 177.300 -0.332 0.000 1.205 742 P CA 0.044 62.834 63.100 -0.517 0.000 0.771 742 P CB 0.770 32.129 31.700 -0.569 0.000 0.858 743 K N 2.196 122.402 120.400 -0.323 0.000 2.203 743 K HA 0.642 2.493 4.320 -4.114 0.000 0.251 743 K C -0.273 176.324 176.600 -0.005 0.000 0.944 743 K CA -0.880 55.374 56.287 -0.055 0.000 0.829 743 K CB 2.040 34.600 32.500 0.100 0.000 1.125 743 K HN 0.247 nan 8.250 nan 0.000 0.430 744 R N 2.404 122.886 120.500 -0.029 0.000 2.575 744 R HA 0.410 2.281 4.340 -4.114 0.000 0.293 744 R C -1.426 174.766 176.300 -0.180 0.000 0.983 744 R CA -0.455 55.576 56.100 -0.115 0.000 0.887 744 R CB 0.833 30.944 30.300 -0.315 0.000 1.184 744 R HN 0.460 nan 8.270 nan 0.000 0.445 745 I N 5.358 125.799 120.570 -0.214 0.000 2.433 745 I HA 0.395 2.096 4.170 -4.114 0.000 0.292 745 I C -0.593 175.365 176.117 -0.265 0.000 1.001 745 I CA -0.814 60.344 61.300 -0.235 0.000 1.119 745 I CB 1.282 38.993 38.000 -0.482 0.000 1.289 745 I HN 0.581 nan 8.210 nan 0.000 0.438 746 F N 3.450 123.442 119.950 0.069 0.000 2.425 746 F HA 0.541 2.600 4.527 -4.114 0.000 0.331 746 F C 0.697 176.558 175.800 0.101 0.000 1.085 746 F CA -0.368 57.679 58.000 0.079 0.000 1.028 746 F CB 1.852 40.880 39.000 0.045 0.000 1.177 746 F HN 0.462 nan 8.300 nan 0.000 0.487 747 S N 2.279 118.112 115.700 0.221 0.000 2.541 747 S HA 0.756 2.758 4.470 -4.114 0.000 0.280 747 S C -1.467 173.190 174.600 0.096 0.000 1.112 747 S CA -0.718 57.483 58.200 0.002 0.000 0.925 747 S CB 1.937 65.034 63.200 -0.170 0.000 1.067 747 S HN 0.526 nan 8.310 nan 0.000 0.479 748 F N 2.286 122.166 119.950 -0.116 0.000 2.539 748 F HA 0.732 2.790 4.527 -4.114 0.000 0.318 748 F C -1.848 173.928 175.800 -0.040 0.000 1.135 748 F CA -1.249 56.725 58.000 -0.043 0.000 0.915 748 F CB 0.969 39.950 39.000 -0.032 0.000 1.176 748 F HN 0.549 nan 8.300 nan 0.000 0.440 749 I N 5.257 125.336 120.570 -0.819 0.000 2.315 749 I HA 0.235 1.936 4.170 -4.114 0.000 0.291 749 I C -0.544 174.945 176.117 -1.047 0.000 1.006 749 I CA -0.104 60.768 61.300 -0.713 0.000 1.265 749 I CB 1.016 38.823 38.000 -0.321 0.000 1.387 749 I HN 0.440 nan 8.210 nan 0.000 0.475 750 D N 4.798 124.821 120.400 -0.629 0.000 2.477 750 D HA 0.157 2.329 4.640 -4.114 0.000 0.239 750 D C 0.267 176.439 176.300 -0.214 0.000 1.102 750 D CA -0.087 53.714 54.000 -0.332 0.000 0.901 750 D CB 0.685 41.502 40.800 0.029 0.000 1.026 750 D HN 0.419 nan 8.370 nan 0.000 0.515 751 D N 1.925 122.214 120.400 -0.184 0.000 2.360 751 D HA 0.002 2.173 4.640 -4.114 0.000 0.210 751 D C -0.011 176.249 176.300 -0.067 0.000 1.047 751 D CA 0.260 54.184 54.000 -0.127 0.000 0.854 751 D CB 0.466 41.240 40.800 -0.043 0.000 0.936 751 D HN 0.432 nan 8.370 nan 0.000 0.514 752 Q N -0.306 119.455 119.800 -0.063 0.000 2.394 752 Q HA 0.510 2.381 4.340 -4.114 0.000 0.248 752 Q C 0.879 176.821 176.000 -0.097 0.000 0.992 752 Q CA 0.313 56.078 55.803 -0.064 0.000 0.888 752 Q CB 0.983 29.691 28.738 -0.051 0.000 1.257 752 Q HN 0.099 nan 8.270 nan 0.000 0.462 753 G N -0.224 108.481 108.800 -0.159 0.000 2.566 753 G HA2 -0.211 1.280 3.960 -4.114 0.000 0.599 753 G HA3 -0.211 1.280 3.960 -4.114 0.000 0.599 753 G C -0.521 174.256 174.900 -0.204 0.000 1.292 753 G CA -0.707 44.224 45.100 -0.281 0.000 0.922 753 G HN 0.428 nan 8.290 nan 0.000 0.514 754 F N 1.652 121.599 119.950 -0.005 0.000 2.748 754 F HA 0.364 2.422 4.527 -4.114 0.000 0.299 754 F C 1.892 177.685 175.800 -0.013 0.000 1.154 754 F CA 0.609 58.606 58.000 -0.004 0.000 1.446 754 F CB -0.148 38.852 39.000 0.000 0.000 1.112 754 F HN 0.831 nan 8.300 nan 0.000 0.584 755 S N -2.298 113.461 115.700 0.100 0.000 2.595 755 S HA 0.478 2.479 4.470 -4.114 0.000 0.281 755 S C -0.470 174.094 174.600 -0.060 0.000 1.117 755 S CA -0.829 57.387 58.200 0.027 0.000 0.873 755 S CB 1.887 65.097 63.200 0.017 0.000 1.108 755 S HN -0.061 nan 8.310 nan 0.000 0.477 756 T N 1.588 116.069 114.554 -0.122 0.000 2.733 756 T HA 0.405 2.287 4.350 -4.114 0.000 0.294 756 T C -1.334 173.199 174.700 -0.279 0.000 0.956 756 T CA -0.389 61.555 62.100 -0.259 0.000 0.987 756 T CB -0.379 68.198 68.868 -0.485 0.000 0.920 756 T HN 0.578 nan 8.240 nan 0.000 0.470 757 D N 4.910 125.146 120.400 -0.274 0.000 2.233 757 D HA 0.434 2.605 4.640 -4.114 0.000 0.240 757 D C -0.129 175.929 176.300 -0.404 0.000 1.074 757 D CA -0.155 53.644 54.000 -0.337 0.000 0.838 757 D CB 1.439 42.081 40.800 -0.265 0.000 1.124 757 D HN 0.568 nan 8.370 nan 0.000 0.475 758 I N 2.529 122.803 120.570 -0.493 0.000 2.410 758 I HA 0.219 1.920 4.170 -4.114 0.000 0.286 758 I C -0.857 174.887 176.117 -0.623 0.000 1.009 758 I CA -0.917 60.080 61.300 -0.505 0.000 1.111 758 I CB 0.993 38.718 38.000 -0.457 0.000 1.262 758 I HN 0.143 nan 8.210 nan 0.000 0.443 759 Y N 5.866 125.955 120.300 -0.351 0.000 2.341 759 Y HA 0.498 2.580 4.550 -4.114 0.000 0.340 759 Y C -0.393 175.353 175.900 -0.258 0.000 0.997 759 Y CA -0.381 57.612 58.100 -0.178 0.000 1.149 759 Y CB 0.817 39.298 38.460 0.035 0.000 1.171 759 Y HN 0.321 nan 8.280 nan 0.000 0.494 760 F N 1.773 121.856 119.950 0.222 0.000 2.480 760 F HA 0.659 2.718 4.527 -4.113 0.000 0.329 760 F C -0.026 175.926 175.800 0.252 0.000 1.091 760 F CA -0.678 57.473 58.000 0.251 0.000 0.972 760 F CB 2.004 41.221 39.000 0.361 0.000 1.150 760 F HN 0.401 nan 8.300 nan 0.000 0.467 761 S N 0.389 116.321 115.700 0.388 0.000 2.540 761 S HA 0.600 2.601 4.470 -4.114 0.000 0.275 761 S C -1.373 173.394 174.600 0.278 0.000 1.123 761 S CA -1.087 57.291 58.200 0.295 0.000 0.907 761 S CB 2.071 65.393 63.200 0.204 0.000 1.081 761 S HN 0.564 nan 8.310 nan 0.000 0.476 762 D N 0.538 121.071 120.400 0.222 0.000 2.506 762 D HA 0.320 2.491 4.640 -4.114 0.000 0.272 762 D C 1.081 177.501 176.300 0.200 0.000 1.214 762 D CA -0.945 53.172 54.000 0.195 0.000 1.067 762 D CB -0.017 40.873 40.800 0.150 0.000 1.117 762 D HN 0.252 nan 8.370 nan 0.000 0.578 763 V N -0.244 119.777 119.914 0.178 0.000 3.078 763 V HA -0.094 1.558 4.120 -4.114 0.000 0.265 763 V C 0.386 176.524 176.094 0.073 0.000 1.122 763 V CA 1.523 63.908 62.300 0.142 0.000 1.141 763 V CB -0.549 31.355 31.823 0.135 0.000 0.735 763 V HN 0.461 nan 8.190 nan 0.000 0.498 764 D N -0.472 119.972 120.400 0.073 0.000 2.424 764 D HA 0.100 2.272 4.640 -4.114 0.000 0.220 764 D C 0.654 176.981 176.300 0.045 0.000 1.150 764 D CA 0.099 54.128 54.000 0.048 0.000 0.831 764 D CB 0.177 41.005 40.800 0.047 0.000 0.981 764 D HN 0.322 nan 8.370 nan 0.000 0.500 765 D N 1.957 122.389 120.400 0.053 0.000 2.751 765 D HA -0.231 1.940 4.640 -4.114 0.000 0.233 765 D C 0.040 176.382 176.300 0.070 0.000 1.149 765 D CA 0.651 54.682 54.000 0.050 0.000 0.682 765 D CB -0.954 39.853 40.800 0.011 0.000 1.068 765 D HN 0.450 nan 8.370 nan 0.000 0.429 766 E N 0.357 120.613 120.200 0.094 0.000 2.289 766 E HA 0.336 2.217 4.350 -4.114 0.000 0.278 766 E C -0.015 176.681 176.600 0.160 0.000 1.032 766 E CA -0.424 56.038 56.400 0.103 0.000 0.854 766 E CB 0.624 30.377 29.700 0.088 0.000 1.046 766 E HN 0.198 nan 8.360 nan 0.000 0.409 767 R N 3.164 123.761 120.500 0.161 0.000 2.778 767 R HA 0.534 2.406 4.340 -4.114 0.000 0.277 767 R C -1.234 175.236 176.300 0.283 0.000 0.977 767 R CA -0.854 55.380 56.100 0.223 0.000 0.950 767 R CB 1.494 31.896 30.300 0.171 0.000 1.165 767 R HN 0.465 nan 8.270 nan 0.000 0.474 768 F N 1.356 121.406 119.950 0.166 0.000 2.574 768 F HA 0.394 2.453 4.527 -4.113 0.000 0.313 768 F C -1.250 174.621 175.800 0.118 0.000 1.130 768 F CA -0.856 57.189 58.000 0.076 0.000 0.936 768 F CB 1.677 40.681 39.000 0.008 0.000 1.219 768 F HN 0.255 nan 8.300 nan 0.000 0.445 769 K N 7.013 126.920 120.400 -0.822 0.000 2.358 769 K HA 0.577 2.429 4.320 -4.114 0.000 0.260 769 K C -2.069 173.821 176.600 -1.184 0.000 0.956 769 K CA -0.830 54.946 56.287 -0.851 0.000 0.834 769 K CB 1.503 33.644 32.500 -0.598 0.000 1.102 769 K HN 0.760 nan 8.250 nan 0.000 0.431 770 L N 3.084 123.780 121.223 -0.878 0.000 2.282 770 L HA 0.394 2.266 4.340 -4.114 0.000 0.288 770 L C -0.907 175.727 176.870 -0.393 0.000 1.033 770 L CA 0.298 54.796 54.840 -0.570 0.000 0.807 770 L CB 1.699 43.636 42.059 -0.204 0.000 1.209 770 L HN 0.586 nan 8.230 nan 0.000 0.423 771 S N 5.797 121.337 115.700 -0.267 0.000 2.659 771 S HA 0.675 2.676 4.470 -4.114 0.000 0.312 771 S C -1.015 173.534 174.600 -0.085 0.000 1.114 771 S CA -0.584 57.503 58.200 -0.188 0.000 1.063 771 S CB 0.308 63.411 63.200 -0.161 0.000 0.996 771 S HN 0.572 nan 8.310 nan 0.000 0.478 772 L N 6.332 127.507 121.223 -0.080 0.000 2.316 772 L HA 0.473 2.344 4.340 -4.114 0.000 0.280 772 L C -2.425 174.444 176.870 -0.002 0.000 1.006 772 L CA -2.247 52.583 54.840 -0.017 0.000 0.836 772 L CB 1.698 43.749 42.059 -0.014 0.000 1.221 772 L HN 0.407 nan 8.230 nan 0.000 0.418 773 P HA 0.140 nan 4.420 nan 0.000 0.268 773 P C -0.605 176.729 177.300 0.056 0.000 1.204 773 P CA -0.033 63.095 63.100 0.046 0.000 0.768 773 P CB 0.795 32.523 31.700 0.046 0.000 0.842 774 K N 0.000 120.443 120.400 0.072 0.000 2.780 774 K HA 0.000 1.851 4.320 -4.114 0.000 0.191 774 K CA 0.000 56.333 56.287 0.077 0.000 0.838 774 K CB 0.000 32.557 32.500 0.095 0.000 1.064 774 K HN 0.000 nan 8.250 nan 0.000 0.543