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 1g8k_1_C DATA FIRST_RESID 4 DATA SEQUENCE NDRITLPPAN AQRTNMTCHF CIVGCGYHVY KWPELEEGGR APEQNALGLD DATA SEQUENCE FRKQLPPLAV TLTPAMTNVV TEHDGARYDI MVVPDKACVV NSGLSSTRGG DATA SEQUENCE KMASYMYTPT GDGKERLSAP RLYAADEWVD TTWDHAMALY AGLIKKTLDK DATA SEQUENCE DGPQGVFFSC FDHGGAGGGF ENTWGTGKLM FSAIQTPMVR IHNRPAYNSE DATA SEQUENCE CHATREMGIG ELNNAYEDAQ LADVIWSIGN NPYESQTNYF LNHWLPNLQG DATA SEQUENCE ATTSKKKERF PNENFPQARI IFVDPRETPS VAIARHVAGN DRVLHLAIEP DATA SEQUENCE GTDTALFNGL FTYVVEQGWI DKPFIEAHTK GFDDAVKTNR LSLDECSNIT DATA SEQUENCE GVPVDMLKRA AEWSYKPKAS GQAPRTMHAY EKGIIWGNDN YVIQSALLDL DATA SEQUENCE VIATHNVGRR GTGCVRMGGH QEGYTRPPYP GDKKIYIDQE LIKGKGRIMT DATA SEQUENCE WWGCNNFQTS NNAQALREAI LQRSAIVKQA MQKARGATTE EMVDVIYEAT DATA SEQUENCE QNGGLFVTSI NLYPTKLAEA AHLMLPAAHP GEMNLTSMNG ERRIRLSEKF DATA SEQUENCE MDPPGTAMAD CLIAARIANA LRDMYQKDGK AEMAAQFEGF DWKTEEDAFN DATA SEQUENCE DGFRRAGQPG APAIDSQGGS TGHLVTYDRL RKSGNNGVQL PVVSWDESKG DATA SEQUENCE LVGTEMLYTE GKFDTDDGKA HFKPAPWNGL PATVQQQKDK YRFWLNNGRN DATA SEQUENCE NEVWQTAYHD QYNSLMQERY PMAYIEMNPD DCKQLDVTGG DIVEVYNDFG DATA SEQUENCE STFAMVYPVA EIKRGQTFML FGYVNGIQGD VTTDWTDRDI IPYYKGTWGD DATA SEQUENCE IRKVGSMSEF KRTVSFKSRR FG 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.508 175.510 -0.003 0.000 1.280 4 N CA 0.000 53.048 53.050 -0.004 0.000 0.885 4 N CB 0.000 38.484 38.487 -0.005 0.000 1.341 5 D N 0.890 121.288 120.400 -0.003 0.000 2.643 5 D HA 0.236 4.879 4.640 0.005 0.000 0.244 5 D C 0.187 176.484 176.300 -0.005 0.000 1.257 5 D CA -0.111 53.888 54.000 -0.002 0.000 0.831 5 D CB 0.382 41.182 40.800 0.000 0.000 1.043 5 D HN 0.484 nan 8.370 nan 0.000 0.488 6 R N -1.413 119.081 120.500 -0.010 0.000 2.728 6 R HA 0.613 4.957 4.340 0.005 0.000 0.274 6 R C -1.787 174.497 176.300 -0.027 0.000 1.032 6 R CA -0.893 55.195 56.100 -0.021 0.000 0.866 6 R CB 0.573 30.860 30.300 -0.022 0.000 1.263 6 R HN -0.030 nan 8.270 nan 0.000 0.475 7 I N 0.752 121.292 120.570 -0.051 0.000 2.730 7 I HA 0.302 4.475 4.170 0.005 0.000 0.298 7 I C -0.465 175.621 176.117 -0.052 0.000 1.089 7 I CA -1.170 60.102 61.300 -0.047 0.000 1.041 7 I CB 2.957 40.916 38.000 -0.069 0.000 1.235 7 I HN 0.620 nan 8.210 nan 0.000 0.423 8 T N 6.165 120.736 114.554 0.027 0.000 2.728 8 T HA 0.445 4.798 4.350 0.005 0.000 0.296 8 T C 0.055 174.833 174.700 0.129 0.000 0.940 8 T CA -0.369 61.792 62.100 0.102 0.000 1.013 8 T CB 0.169 69.162 68.868 0.209 0.000 0.912 8 T HN 0.223 nan 8.240 nan 0.000 0.484 9 L N 6.246 127.415 121.223 -0.090 0.000 2.436 9 L HA 0.338 4.682 4.340 0.005 0.000 0.265 9 L C -1.736 174.803 176.870 -0.551 0.000 1.168 9 L CA -2.150 52.517 54.840 -0.289 0.000 0.815 9 L CB 0.371 42.194 42.059 -0.393 0.000 1.109 9 L HN 0.331 nan 8.230 nan 0.000 0.462 10 P HA 0.227 nan 4.420 nan 0.000 0.280 10 P C -2.621 174.068 177.300 -1.017 0.000 1.244 10 P CA -1.750 60.299 63.100 -1.752 0.000 0.784 10 P CB 0.560 31.447 31.700 -1.355 0.000 0.913 11 P HA -0.021 nan 4.420 nan 0.000 0.270 11 P C 1.000 178.097 177.300 -0.339 0.000 1.223 11 P CA 0.185 63.000 63.100 -0.475 0.000 0.785 11 P CB 0.228 31.731 31.700 -0.328 0.000 0.923 12 A N 2.259 124.954 122.820 -0.208 0.000 1.948 12 A HA -0.210 4.113 4.320 0.005 0.000 0.220 12 A C 1.424 178.947 177.584 -0.102 0.000 1.177 12 A CA 1.786 53.737 52.037 -0.144 0.000 0.636 12 A CB -1.019 17.926 19.000 -0.093 0.000 0.815 12 A HN 0.542 nan 8.150 nan 0.000 0.449 13 N N -0.007 118.643 118.700 -0.083 0.000 2.268 13 N HA 0.299 5.042 4.740 0.005 0.000 0.204 13 N C 0.362 175.874 175.510 0.003 0.000 1.124 13 N CA 0.639 53.672 53.050 -0.029 0.000 0.838 13 N CB -0.080 38.401 38.487 -0.009 0.000 0.994 13 N HN 0.478 nan 8.380 nan 0.000 0.489 14 A N 0.819 123.620 122.820 -0.031 0.000 2.555 14 A HA -0.058 4.266 4.320 0.005 0.000 0.233 14 A C 0.748 178.419 177.584 0.144 0.000 1.060 14 A CA -0.043 52.038 52.037 0.073 0.000 0.759 14 A CB 0.187 19.176 19.000 -0.019 0.000 0.995 14 A HN 0.389 nan 8.150 nan 0.000 0.506 15 Q N 0.780 120.688 119.800 0.180 0.000 2.352 15 Q HA 0.336 4.679 4.340 0.005 0.000 0.260 15 Q C -0.135 175.911 176.000 0.076 0.000 0.976 15 Q CA 0.037 55.904 55.803 0.107 0.000 0.881 15 Q CB 0.426 29.224 28.738 0.099 0.000 1.235 15 Q HN 0.690 nan 8.270 nan 0.000 0.419 16 R N 2.256 122.731 120.500 -0.043 0.000 2.575 16 R HA 0.428 4.771 4.340 0.005 0.000 0.293 16 R C -1.370 174.813 176.300 -0.195 0.000 0.983 16 R CA -0.227 55.720 56.100 -0.256 0.000 0.887 16 R CB 1.699 31.755 30.300 -0.407 0.000 1.184 16 R HN 0.892 nan 8.270 nan 0.000 0.445 17 T N 0.090 114.525 114.554 -0.198 0.000 2.907 17 T HA 0.476 4.829 4.350 0.005 0.000 0.290 17 T C -0.446 174.226 174.700 -0.046 0.000 1.066 17 T CA -1.104 60.941 62.100 -0.092 0.000 1.012 17 T CB 1.484 70.334 68.868 -0.031 0.000 1.184 17 T HN 0.414 nan 8.240 nan 0.000 0.522 18 N N 0.852 119.551 118.700 -0.002 0.000 2.524 18 N HA 0.620 5.364 4.740 0.005 0.000 0.283 18 N C -0.866 174.630 175.510 -0.023 0.000 1.142 18 N CA -0.529 52.532 53.050 0.018 0.000 0.984 18 N CB 1.337 39.820 38.487 -0.006 0.000 1.155 18 N HN 0.771 nan 8.380 nan 0.000 0.467 19 M N 0.612 120.196 119.600 -0.026 0.000 2.238 19 M HA 0.278 4.761 4.480 0.005 0.000 0.278 19 M C -1.262 175.033 176.300 -0.008 0.000 1.040 19 M CA -0.215 55.070 55.300 -0.025 0.000 0.969 19 M CB 1.388 33.960 32.600 -0.047 0.000 1.694 19 M HN 0.299 nan 8.290 nan 0.000 0.472 20 T N 3.204 117.741 114.554 -0.028 0.000 2.910 20 T HA 0.270 4.623 4.350 0.005 0.000 0.293 20 T C -0.064 174.602 174.700 -0.058 0.000 1.015 20 T CA -0.220 61.876 62.100 -0.006 0.000 1.094 20 T CB 0.596 69.445 68.868 -0.031 0.000 0.968 20 T HN 0.908 nan 8.240 nan 0.000 0.521 21 C N 3.488 122.759 119.300 -0.048 0.000 2.597 21 C HA -0.025 4.439 4.460 0.005 0.000 0.412 21 C C 2.050 176.871 174.990 -0.281 0.000 1.348 21 C CA -0.034 58.823 59.018 -0.268 0.000 1.769 21 C CB -1.126 26.559 27.740 -0.091 0.000 2.641 21 C HN 1.006 nan 8.230 nan 0.000 0.612 22 H N 2.902 121.488 119.070 -0.807 0.000 2.491 22 H HA -0.040 4.519 4.556 0.005 0.000 0.290 22 H C 0.767 175.611 175.328 -0.807 0.000 1.050 22 H CA 1.714 57.214 56.048 -0.912 0.000 1.309 22 H CB 0.199 29.046 29.762 -1.525 0.000 1.392 22 H HN 0.693 nan 8.280 nan 0.000 0.554 23 F N 0.192 119.989 119.950 -0.255 0.000 2.480 23 F HA 0.060 4.590 4.527 0.006 0.000 0.212 23 F C 1.709 177.284 175.800 -0.374 0.000 1.113 23 F CA -0.832 56.726 58.000 -0.736 0.000 0.970 23 F CB -0.929 37.154 39.000 -1.529 0.000 1.177 23 F HN 0.077 nan 8.300 nan 0.000 0.663 24 C N 1.711 120.961 119.300 -0.082 0.000 2.639 24 C HA 0.267 4.731 4.460 0.005 0.000 0.360 24 C C 2.157 177.258 174.990 0.186 0.000 1.351 24 C CA -0.987 58.169 59.018 0.230 0.000 2.408 24 C CB 0.016 27.932 27.740 0.293 0.000 2.517 24 C HN 0.691 nan 8.230 nan 0.000 0.696 25 I N 1.784 122.481 120.570 0.212 0.000 2.300 25 I HA -0.162 4.011 4.170 0.005 0.000 0.252 25 I C 2.078 178.309 176.117 0.189 0.000 1.119 25 I CA 1.962 63.376 61.300 0.190 0.000 1.384 25 I CB -0.400 37.712 38.000 0.186 0.000 1.062 25 I HN 0.699 nan 8.210 nan 0.000 0.426 26 V N 1.504 121.538 119.914 0.200 0.000 2.392 26 V HA -0.141 3.982 4.120 0.005 0.000 0.249 26 V C 1.855 178.069 176.094 0.199 0.000 1.059 26 V CA 1.425 63.874 62.300 0.248 0.000 1.051 26 V CB -1.929 30.012 31.823 0.197 0.000 0.658 26 V HN 0.784 nan 8.190 nan 0.000 0.455 27 G N -0.571 108.311 108.800 0.136 0.000 2.272 27 G HA2 -0.271 3.692 3.960 0.005 0.000 0.280 27 G HA3 -0.271 3.692 3.960 0.005 0.000 0.280 27 G C 0.081 175.041 174.900 0.100 0.000 1.067 27 G CA -0.019 45.135 45.100 0.091 0.000 0.902 27 G HN 0.532 nan 8.290 nan 0.000 0.500 28 C N 0.103 119.486 119.300 0.139 0.000 2.665 28 C HA 0.510 4.973 4.460 0.005 0.000 0.416 28 C C 1.680 176.749 174.990 0.132 0.000 1.305 28 C CA 0.456 59.549 59.018 0.124 0.000 1.903 28 C CB 0.181 28.017 27.740 0.161 0.000 2.704 28 C HN 1.024 nan 8.230 nan 0.000 0.629 29 G N 1.716 110.512 108.800 -0.005 0.000 2.372 29 G HA2 0.532 4.496 3.960 0.005 0.000 0.283 29 G HA3 0.532 4.496 3.960 0.005 0.000 0.283 29 G C -1.227 173.557 174.900 -0.193 0.000 1.177 29 G CA -0.018 45.050 45.100 -0.053 0.000 0.842 29 G HN 0.742 nan 8.290 nan 0.000 0.503 30 Y N -0.501 119.653 120.300 -0.243 0.000 2.609 30 Y HA 0.457 5.010 4.550 0.005 0.000 0.342 30 Y C 0.180 175.862 175.900 -0.364 0.000 1.058 30 Y CA -0.849 57.092 58.100 -0.265 0.000 1.055 30 Y CB 2.447 40.806 38.460 -0.169 0.000 1.292 30 Y HN 0.613 nan 8.280 nan 0.000 0.476 31 H N -0.229 118.841 119.070 -0.001 0.000 2.569 31 H HA 0.666 5.226 4.556 0.005 0.000 0.357 31 H C -1.311 173.856 175.328 -0.268 0.000 1.153 31 H CA -1.094 54.825 56.048 -0.215 0.000 1.193 31 H CB 1.929 31.464 29.762 -0.379 0.000 1.602 31 H HN 0.227 nan 8.280 nan 0.000 0.523 32 V N 3.732 123.483 119.914 -0.270 0.000 2.378 32 V HA 0.164 4.287 4.120 0.005 0.000 0.288 32 V C -0.989 174.858 176.094 -0.413 0.000 1.016 32 V CA -0.745 61.319 62.300 -0.392 0.000 0.840 32 V CB 0.387 31.761 31.823 -0.748 0.000 0.994 32 V HN 0.639 nan 8.190 nan 0.000 0.431 33 Y N 3.588 123.879 120.300 -0.015 0.000 2.320 33 Y HA 0.604 5.157 4.550 0.005 0.000 0.334 33 Y C 0.322 176.378 175.900 0.259 0.000 1.055 33 Y CA -0.382 57.797 58.100 0.131 0.000 1.143 33 Y CB 1.466 40.036 38.460 0.183 0.000 1.193 33 Y HN 0.478 nan 8.280 nan 0.000 0.477 34 K N 4.422 125.087 120.400 0.442 0.000 2.482 34 K HA 0.537 4.860 4.320 0.005 0.000 0.251 34 K C -1.954 174.983 176.600 0.561 0.000 0.936 34 K CA -0.607 55.890 56.287 0.350 0.000 0.791 34 K CB 1.789 34.373 32.500 0.140 0.000 1.213 34 K HN 0.813 nan 8.250 nan 0.000 0.428 35 W N 1.673 123.112 121.300 0.231 0.000 3.066 35 W HA 0.473 5.136 4.660 0.005 0.000 0.330 35 W C -3.178 173.518 176.519 0.296 0.000 1.253 35 W CA -2.177 55.315 57.345 0.245 0.000 1.187 35 W CB -0.075 29.460 29.460 0.125 0.000 1.434 35 W HN 0.326 nan 8.180 nan 0.000 0.572 36 P HA -0.080 nan 4.420 nan 0.000 0.264 36 P C 0.891 178.079 177.300 -0.187 0.000 1.183 36 P CA 0.528 63.578 63.100 -0.085 0.000 0.763 36 P CB 0.886 32.595 31.700 0.015 0.000 0.807 37 E N 2.933 122.947 120.200 -0.311 0.000 2.130 37 E HA -0.191 4.162 4.350 0.005 0.000 0.196 37 E C 0.911 177.445 176.600 -0.110 0.000 0.998 37 E CA 1.229 57.477 56.400 -0.254 0.000 0.806 37 E CB -0.233 29.334 29.700 -0.222 0.000 0.738 37 E HN 0.431 nan 8.360 nan 0.000 0.459 38 L N 0.764 121.951 121.223 -0.061 0.000 2.612 38 L HA 0.172 4.515 4.340 0.005 0.000 0.230 38 L C 0.471 177.381 176.870 0.066 0.000 1.140 38 L CA 0.061 54.900 54.840 -0.002 0.000 0.896 38 L CB -0.073 41.975 42.059 -0.019 0.000 1.065 38 L HN 0.057 nan 8.230 nan 0.000 0.447 39 E N 0.778 121.072 120.200 0.156 0.000 2.249 39 E HA 0.474 4.827 4.350 0.005 0.000 0.263 39 E C -0.515 176.293 176.600 0.347 0.000 0.950 39 E CA -0.580 55.955 56.400 0.225 0.000 0.827 39 E CB 1.833 31.701 29.700 0.280 0.000 1.220 39 E HN 0.166 nan 8.360 nan 0.000 0.411 40 E N -0.358 119.934 120.200 0.154 0.000 2.388 40 E HA 0.479 4.832 4.350 0.005 0.000 0.280 40 E C -0.815 175.711 176.600 -0.124 0.000 1.019 40 E CA -1.111 55.327 56.400 0.064 0.000 0.806 40 E CB 0.958 30.716 29.700 0.098 0.000 1.246 40 E HN 0.511 nan 8.360 nan 0.000 0.443 41 G N 0.401 109.044 108.800 -0.262 0.000 2.562 41 G HA2 0.531 4.494 3.960 0.005 0.000 0.275 41 G HA3 0.531 4.494 3.960 0.005 0.000 0.275 41 G C 0.140 174.950 174.900 -0.149 0.000 1.196 41 G CA -0.234 44.720 45.100 -0.243 0.000 0.908 41 G HN 0.576 nan 8.290 nan 0.000 0.524 42 G N -1.201 107.535 108.800 -0.107 0.000 2.502 42 G HA2 0.411 4.374 3.960 0.005 0.000 0.305 42 G HA3 0.411 4.374 3.960 0.005 0.000 0.305 42 G C 0.755 175.635 174.900 -0.033 0.000 1.190 42 G CA -0.684 44.379 45.100 -0.062 0.000 0.933 42 G HN 0.546 nan 8.290 nan 0.000 0.503 43 R N 0.078 120.582 120.500 0.005 0.000 2.148 43 R HA 0.086 4.429 4.340 0.005 0.000 0.223 43 R C 1.582 177.951 176.300 0.116 0.000 1.088 43 R CA 0.677 56.836 56.100 0.098 0.000 0.985 43 R CB -0.142 30.215 30.300 0.095 0.000 0.880 43 R HN 0.519 nan 8.270 nan 0.000 0.451 44 A N 2.479 125.325 122.820 0.043 0.000 2.498 44 A HA 0.096 4.419 4.320 0.005 0.000 0.239 44 A C -1.444 176.150 177.584 0.016 0.000 1.068 44 A CA -1.137 50.911 52.037 0.019 0.000 0.766 44 A CB 0.127 19.125 19.000 -0.003 0.000 1.003 44 A HN 0.022 nan 8.150 nan 0.000 0.497 45 P HA -0.187 nan 4.420 nan 0.000 0.216 45 P C 0.646 177.929 177.300 -0.029 0.000 1.150 45 P CA 1.360 64.446 63.100 -0.022 0.000 0.843 45 P CB 0.200 31.870 31.700 -0.051 0.000 0.787 46 E N -0.538 119.644 120.200 -0.030 0.000 2.489 46 E HA -0.006 4.347 4.350 0.005 0.000 0.193 46 E C 1.548 178.122 176.600 -0.043 0.000 1.057 46 E CA 0.401 56.780 56.400 -0.036 0.000 0.866 46 E CB -0.011 29.671 29.700 -0.030 0.000 0.916 46 E HN 0.545 nan 8.360 nan 0.000 0.500 47 Q N 0.636 120.410 119.800 -0.042 0.000 2.219 47 Q HA 0.078 4.421 4.340 0.005 0.000 0.209 47 Q C -0.184 175.758 176.000 -0.096 0.000 0.854 47 Q CA -0.098 55.669 55.803 -0.059 0.000 0.960 47 Q CB 0.221 28.932 28.738 -0.045 0.000 1.116 47 Q HN 0.196 nan 8.270 nan 0.000 0.500 48 N N -2.345 116.295 118.700 -0.101 0.000 2.262 48 N HA 0.433 5.177 4.740 0.005 0.000 0.295 48 N C -0.016 175.374 175.510 -0.200 0.000 1.161 48 N CA -0.396 52.547 53.050 -0.177 0.000 0.767 48 N CB 1.122 39.527 38.487 -0.136 0.000 1.499 48 N HN -0.134 nan 8.380 nan 0.000 0.476 49 A N 0.676 123.293 122.820 -0.339 0.000 2.121 49 A HA 0.061 4.384 4.320 0.005 0.000 0.218 49 A C 1.527 178.928 177.584 -0.305 0.000 1.154 49 A CA 0.644 52.477 52.037 -0.340 0.000 0.679 49 A CB -0.825 17.846 19.000 -0.548 0.000 0.795 49 A HN 0.696 nan 8.150 nan 0.000 0.458 50 L N -1.443 119.605 121.223 -0.292 0.000 2.313 50 L HA 0.095 4.439 4.340 0.005 0.000 0.214 50 L C 1.840 178.682 176.870 -0.047 0.000 1.119 50 L CA 0.655 55.416 54.840 -0.132 0.000 0.809 50 L CB -0.494 41.554 42.059 -0.018 0.000 0.933 50 L HN 0.554 nan 8.230 nan 0.000 0.449 51 G N 0.779 109.548 108.800 -0.052 0.000 2.153 51 G HA2 -0.275 3.688 3.960 0.005 0.000 0.252 51 G HA3 -0.275 3.688 3.960 0.005 0.000 0.252 51 G C 0.080 174.940 174.900 -0.067 0.000 0.994 51 G CA 0.005 45.077 45.100 -0.047 0.000 0.698 51 G HN 0.234 nan 8.290 nan 0.000 0.521 52 L N 0.120 121.296 121.223 -0.078 0.000 2.334 52 L HA 0.513 4.857 4.340 0.005 0.000 0.275 52 L C -0.146 176.548 176.870 -0.294 0.000 1.036 52 L CA -1.035 53.652 54.840 -0.255 0.000 0.807 52 L CB 1.465 43.238 42.059 -0.476 0.000 1.231 52 L HN 0.038 nan 8.230 nan 0.000 0.438 53 D N 1.691 121.891 120.400 -0.335 0.000 2.411 53 D HA 0.159 4.802 4.640 0.005 0.000 0.225 53 D C 0.050 176.175 176.300 -0.290 0.000 1.156 53 D CA -0.107 53.765 54.000 -0.214 0.000 0.874 53 D CB 0.474 41.194 40.800 -0.134 0.000 1.034 53 D HN 0.216 nan 8.370 nan 0.000 0.502 54 F N 2.059 121.983 119.950 -0.044 0.000 2.664 54 F HA 0.235 4.765 4.527 0.005 0.000 0.301 54 F C 2.012 177.794 175.800 -0.030 0.000 1.126 54 F CA -0.196 57.782 58.000 -0.037 0.000 1.373 54 F CB 0.219 39.194 39.000 -0.042 0.000 1.042 54 F HN 0.191 nan 8.300 nan 0.000 0.535 55 R N 0.927 121.476 120.500 0.082 0.000 2.275 55 R HA 0.069 4.412 4.340 0.005 0.000 0.199 55 R C 0.334 176.650 176.300 0.027 0.000 0.989 55 R CA 0.468 56.597 56.100 0.049 0.000 1.016 55 R CB 0.087 30.401 30.300 0.022 0.000 0.918 55 R HN 0.270 nan 8.270 nan 0.000 0.473 56 K N -0.764 119.642 120.400 0.010 0.000 2.555 56 K HA 0.196 4.519 4.320 0.005 0.000 0.279 56 K C -1.290 175.300 176.600 -0.016 0.000 0.986 56 K CA -1.082 55.203 56.287 -0.002 0.000 0.880 56 K CB 1.051 33.540 32.500 -0.018 0.000 1.474 56 K HN -0.343 nan 8.250 nan 0.000 0.433 57 Q N 1.500 121.294 119.800 -0.011 0.000 2.304 57 Q HA 0.083 4.427 4.340 0.005 0.000 0.301 57 Q C -0.985 174.982 176.000 -0.056 0.000 1.063 57 Q CA 0.451 56.244 55.803 -0.017 0.000 0.947 57 Q CB 0.379 29.111 28.738 -0.009 0.000 1.201 57 Q HN 0.573 nan 8.270 nan 0.000 0.389 58 L N 6.751 127.927 121.223 -0.078 0.000 2.375 58 L HA 0.491 4.834 4.340 0.005 0.000 0.271 58 L C -1.668 175.159 176.870 -0.072 0.000 1.107 58 L CA -2.025 52.742 54.840 -0.121 0.000 0.806 58 L CB 0.871 42.821 42.059 -0.181 0.000 1.146 58 L HN 0.771 nan 8.230 nan 0.000 0.447 59 P HA 0.250 nan 4.420 nan 0.000 0.276 59 P C -2.657 174.618 177.300 -0.042 0.000 1.252 59 P CA -1.434 61.636 63.100 -0.049 0.000 0.802 59 P CB -0.142 31.528 31.700 -0.050 0.000 1.035 60 P HA 0.047 nan 4.420 nan 0.000 0.268 60 P C 0.740 178.024 177.300 -0.027 0.000 1.208 60 P CA 0.144 63.232 63.100 -0.021 0.000 0.777 60 P CB 0.306 31.998 31.700 -0.013 0.000 0.875 61 L N -1.357 119.852 121.223 -0.023 0.000 4.884 61 L HA -0.327 4.016 4.340 0.005 0.000 0.430 61 L C 1.594 178.443 176.870 -0.036 0.000 1.087 61 L CA 0.943 55.767 54.840 -0.027 0.000 1.033 61 L CB -2.222 39.820 42.059 -0.028 0.000 2.030 61 L HN 0.462 nan 8.230 nan 0.000 0.762 62 A N -0.757 122.037 122.820 -0.045 0.000 2.067 62 A HA 0.387 4.710 4.320 0.005 0.000 0.217 62 A C 0.866 178.417 177.584 -0.055 0.000 1.156 62 A CA 1.677 53.676 52.037 -0.063 0.000 0.683 62 A CB 0.418 19.360 19.000 -0.096 0.000 0.808 62 A HN 0.300 nan 8.150 nan 0.000 0.455 63 V N -2.005 117.890 119.914 -0.032 0.000 3.225 63 V HA 0.492 4.615 4.120 0.005 0.000 0.293 63 V C -1.590 174.513 176.094 0.014 0.000 1.405 63 V CA -0.414 61.884 62.300 -0.003 0.000 1.038 63 V CB 2.328 34.159 31.823 0.013 0.000 1.123 63 V HN 0.073 nan 8.190 nan 0.000 0.447 64 T N 5.632 120.202 114.554 0.027 0.000 2.864 64 T HA 0.708 5.061 4.350 0.005 0.000 0.310 64 T C -1.196 173.541 174.700 0.062 0.000 1.040 64 T CA -0.107 62.012 62.100 0.032 0.000 0.977 64 T CB 0.735 69.610 68.868 0.011 0.000 0.976 64 T HN 0.752 nan 8.240 nan 0.000 0.459 65 L N 4.046 125.312 121.223 0.070 0.000 2.639 65 L HA 0.697 5.040 4.340 0.005 0.000 0.264 65 L C -0.436 176.472 176.870 0.063 0.000 0.948 65 L CA -0.027 54.863 54.840 0.083 0.000 0.912 65 L CB 1.760 43.894 42.059 0.124 0.000 1.294 65 L HN 0.725 nan 8.230 nan 0.000 0.412 66 T N 1.450 116.031 114.554 0.046 0.000 2.865 66 T HA 0.640 4.993 4.350 0.005 0.000 0.294 66 T C -2.511 172.200 174.700 0.018 0.000 1.119 66 T CA -1.682 60.435 62.100 0.028 0.000 1.007 66 T CB 1.794 70.671 68.868 0.016 0.000 1.225 66 T HN 0.285 nan 8.240 nan 0.000 0.515 67 P HA 0.003 nan 4.420 nan 0.000 0.218 67 P C 1.592 178.886 177.300 -0.010 0.000 1.148 67 P CA 1.494 64.595 63.100 0.000 0.000 0.822 67 P CB -0.282 31.416 31.700 -0.003 0.000 0.784 68 A N -1.141 121.666 122.820 -0.021 0.000 2.125 68 A HA -0.126 4.197 4.320 0.005 0.000 0.219 68 A C 1.812 179.360 177.584 -0.060 0.000 1.156 68 A CA 1.272 53.278 52.037 -0.052 0.000 0.671 68 A CB -1.223 17.734 19.000 -0.073 0.000 0.794 68 A HN 0.194 nan 8.150 nan 0.000 0.459 69 M N 0.362 119.950 119.600 -0.019 0.000 2.453 69 M HA 0.083 4.567 4.480 0.005 0.000 0.239 69 M C 0.376 176.689 176.300 0.022 0.000 1.151 69 M CA 0.484 55.785 55.300 0.002 0.000 0.989 69 M CB -0.062 32.567 32.600 0.049 0.000 1.548 69 M HN 0.464 nan 8.290 nan 0.000 0.479 70 T N -2.281 112.277 114.554 0.006 0.000 2.906 70 T HA 0.685 5.038 4.350 0.005 0.000 0.295 70 T C -0.642 174.047 174.700 -0.018 0.000 1.075 70 T CA -0.775 61.333 62.100 0.013 0.000 1.005 70 T CB 2.840 71.724 68.868 0.027 0.000 1.136 70 T HN 0.078 nan 8.240 nan 0.000 0.498 71 N N -0.624 118.053 118.700 -0.039 0.000 3.116 71 N HA 0.507 5.250 4.740 0.005 0.000 0.244 71 N C -2.124 173.333 175.510 -0.087 0.000 1.485 71 N CA -0.497 52.526 53.050 -0.044 0.000 0.884 71 N CB 2.134 40.615 38.487 -0.009 0.000 1.415 71 N HN 0.619 nan 8.380 nan 0.000 0.524 72 V N 1.561 121.430 119.914 -0.075 0.000 2.443 72 V HA 0.447 4.570 4.120 0.005 0.000 0.293 72 V C 0.036 176.102 176.094 -0.047 0.000 1.021 72 V CA -0.783 61.459 62.300 -0.095 0.000 0.848 72 V CB 1.334 33.091 31.823 -0.110 0.000 0.998 72 V HN 0.491 nan 8.190 nan 0.000 0.424 73 V N 2.313 122.232 119.914 0.009 0.000 2.834 73 V HA 0.820 4.943 4.120 0.005 0.000 0.313 73 V C -0.015 176.126 176.094 0.079 0.000 1.060 73 V CA -0.264 62.064 62.300 0.047 0.000 0.989 73 V CB 1.910 33.801 31.823 0.112 0.000 1.041 73 V HN 0.754 nan 8.190 nan 0.000 0.459 74 T N 2.859 117.459 114.554 0.077 0.000 2.809 74 T HA 0.450 4.803 4.350 0.005 0.000 0.284 74 T C -0.432 174.355 174.700 0.144 0.000 0.992 74 T CA -0.354 61.807 62.100 0.102 0.000 0.957 74 T CB 1.173 70.080 68.868 0.065 0.000 0.942 74 T HN 0.855 nan 8.240 nan 0.000 0.439 75 E N 1.161 121.462 120.200 0.168 0.000 2.351 75 E HA 0.195 4.548 4.350 0.005 0.000 0.255 75 E C 1.045 177.741 176.600 0.160 0.000 1.188 75 E CA -0.348 56.117 56.400 0.108 0.000 0.940 75 E CB 0.669 30.453 29.700 0.140 0.000 1.094 75 E HN 0.711 nan 8.360 nan 0.000 0.474 76 H N 0.161 119.275 119.070 0.074 0.000 2.456 76 H HA -0.133 4.426 4.556 0.005 0.000 0.296 76 H C 0.787 176.150 175.328 0.057 0.000 1.079 76 H CA 1.054 57.135 56.048 0.056 0.000 1.322 76 H CB 0.324 30.106 29.762 0.032 0.000 1.388 76 H HN 0.389 nan 8.280 nan 0.000 0.538 77 D N -0.952 119.563 120.400 0.192 0.000 2.319 77 D HA 0.054 4.697 4.640 0.005 0.000 0.230 77 D C 1.654 178.017 176.300 0.106 0.000 1.094 77 D CA 0.622 54.701 54.000 0.131 0.000 0.856 77 D CB -0.065 40.805 40.800 0.117 0.000 0.915 77 D HN 0.387 nan 8.370 nan 0.000 0.517 78 G N -0.579 108.290 108.800 0.115 0.000 2.205 78 G HA2 -0.241 3.722 3.960 0.005 0.000 0.261 78 G HA3 -0.241 3.722 3.960 0.005 0.000 0.261 78 G C 0.557 175.488 174.900 0.051 0.000 0.980 78 G CA 0.175 45.322 45.100 0.078 0.000 0.632 78 G HN 0.876 nan 8.290 nan 0.000 0.533 79 A N 0.103 122.967 122.820 0.073 0.000 2.425 79 A HA 0.739 5.063 4.320 0.005 0.000 0.249 79 A C 0.657 178.197 177.584 -0.074 0.000 1.084 79 A CA 0.193 52.215 52.037 -0.026 0.000 0.781 79 A CB 0.331 19.352 19.000 0.035 0.000 1.019 79 A HN 0.525 nan 8.150 nan 0.000 0.490 80 R N 0.390 120.718 120.500 -0.287 0.000 2.460 80 R HA 0.551 4.894 4.340 0.005 0.000 0.303 80 R C -1.811 174.164 176.300 -0.543 0.000 0.968 80 R CA -0.156 55.801 56.100 -0.237 0.000 0.889 80 R CB 1.373 31.575 30.300 -0.163 0.000 1.123 80 R HN 0.731 nan 8.270 nan 0.000 0.455 81 Y N 0.530 120.766 120.300 -0.107 0.000 2.406 81 Y HA 0.183 4.736 4.550 0.005 0.000 0.340 81 Y C -0.115 175.589 175.900 -0.326 0.000 0.975 81 Y CA -0.980 57.010 58.100 -0.183 0.000 1.056 81 Y CB 1.789 40.199 38.460 -0.084 0.000 1.210 81 Y HN 0.450 nan 8.280 nan 0.000 0.448 82 D N 4.293 124.371 120.400 -0.536 0.000 2.399 82 D HA 0.300 4.943 4.640 0.005 0.000 0.241 82 D C -0.164 175.707 176.300 -0.715 0.000 1.133 82 D CA 0.631 54.121 54.000 -0.850 0.000 0.890 82 D CB 1.175 40.848 40.800 -1.879 0.000 1.201 82 D HN 0.587 nan 8.370 nan 0.000 0.432 83 I N -1.967 118.367 120.570 -0.393 0.000 2.828 83 I HA 0.624 4.797 4.170 0.005 0.000 0.302 83 I C -0.905 175.214 176.117 0.003 0.000 1.101 83 I CA -1.072 60.148 61.300 -0.133 0.000 1.031 83 I CB 2.585 40.575 38.000 -0.017 0.000 1.231 83 I HN 0.182 nan 8.210 nan 0.000 0.427 84 M N 5.083 124.794 119.600 0.185 0.000 2.238 84 M HA 0.584 5.067 4.480 0.005 0.000 0.278 84 M C -2.236 174.177 176.300 0.189 0.000 1.040 84 M CA -0.525 54.925 55.300 0.249 0.000 0.969 84 M CB 2.110 34.977 32.600 0.444 0.000 1.694 84 M HN 0.534 nan 8.290 nan 0.000 0.472 85 V N 6.090 126.064 119.914 0.100 0.000 2.326 85 V HA 0.643 4.766 4.120 0.005 0.000 0.281 85 V C -0.550 175.673 176.094 0.214 0.000 1.015 85 V CA -0.594 61.745 62.300 0.065 0.000 0.823 85 V CB 1.263 33.030 31.823 -0.093 0.000 1.009 85 V HN 0.694 nan 8.190 nan 0.000 0.436 86 V N 3.585 123.678 119.914 0.298 0.000 2.962 86 V HA 0.783 4.907 4.120 0.005 0.000 0.313 86 V C -2.665 173.457 176.094 0.047 0.000 1.099 86 V CA -2.697 59.751 62.300 0.247 0.000 0.971 86 V CB 2.408 34.361 31.823 0.216 0.000 1.028 86 V HN 0.570 nan 8.190 nan 0.000 0.430 87 P HA 0.128 nan 4.420 nan 0.000 0.269 87 P C -1.008 176.076 177.300 -0.361 0.000 1.215 87 P CA 0.292 62.947 63.100 -0.742 0.000 0.780 87 P CB 0.758 32.054 31.700 -0.673 0.000 0.898 88 D N 1.826 121.963 120.400 -0.437 0.000 2.380 88 D HA 0.076 4.720 4.640 0.005 0.000 0.230 88 D C 1.065 177.262 176.300 -0.172 0.000 1.154 88 D CA -0.261 53.537 54.000 -0.338 0.000 0.859 88 D CB 0.465 40.945 40.800 -0.533 0.000 1.045 88 D HN 0.156 nan 8.370 nan 0.000 0.495 89 K N 2.345 122.701 120.400 -0.073 0.000 2.211 89 K HA -0.108 4.216 4.320 0.005 0.000 0.204 89 K C 1.440 178.017 176.600 -0.038 0.000 1.047 89 K CA 1.168 57.424 56.287 -0.051 0.000 0.935 89 K CB 0.150 32.638 32.500 -0.019 0.000 0.728 89 K HN 0.403 nan 8.250 nan 0.000 0.452 90 A N 0.622 123.429 122.820 -0.021 0.000 2.218 90 A HA -0.000 4.323 4.320 0.005 0.000 0.209 90 A C 0.752 178.323 177.584 -0.021 0.000 1.168 90 A CA -0.195 51.836 52.037 -0.009 0.000 0.804 90 A CB -0.219 18.793 19.000 0.020 0.000 0.834 90 A HN 0.400 nan 8.150 nan 0.000 0.482 91 C N 1.333 120.602 119.300 -0.052 0.000 2.629 91 C HA 0.316 4.779 4.460 0.005 0.000 0.410 91 C C 2.218 177.208 174.990 -0.001 0.000 1.339 91 C CA 0.028 59.021 59.018 -0.042 0.000 1.810 91 C CB -0.550 27.141 27.740 -0.082 0.000 2.549 91 C HN 0.728 nan 8.230 nan 0.000 0.589 92 V N 5.630 125.559 119.914 0.026 0.000 2.594 92 V HA -0.082 4.042 4.120 0.005 0.000 0.253 92 V C 1.856 178.050 176.094 0.167 0.000 1.069 92 V CA 2.029 64.375 62.300 0.078 0.000 1.082 92 V CB -1.177 30.689 31.823 0.071 0.000 0.680 92 V HN 0.780 nan 8.190 nan 0.000 0.469 93 V N 3.206 123.207 119.914 0.144 0.000 2.261 93 V HA -0.198 3.925 4.120 0.005 0.000 0.246 93 V C 2.537 178.809 176.094 0.297 0.000 1.047 93 V CA 2.638 65.098 62.300 0.265 0.000 1.015 93 V CB -0.923 30.995 31.823 0.159 0.000 0.642 93 V HN 0.886 nan 8.190 nan 0.000 0.446 94 N N -1.627 117.141 118.700 0.113 0.000 2.250 94 N HA -0.021 4.722 4.740 0.005 0.000 0.190 94 N C 0.638 176.128 175.510 -0.034 0.000 1.116 94 N CA 0.799 53.869 53.050 0.035 0.000 0.881 94 N CB 0.562 39.036 38.487 -0.021 0.000 1.006 94 N HN 0.335 nan 8.380 nan 0.000 0.491 95 S N 0.038 115.717 115.700 -0.035 0.000 3.549 95 S HA -0.061 4.413 4.470 0.005 0.000 0.366 95 S C 1.126 175.681 174.600 -0.075 0.000 1.012 95 S CA 1.089 59.258 58.200 -0.052 0.000 1.141 95 S CB -1.893 61.273 63.200 -0.058 0.000 0.910 95 S HN 1.112 nan 8.310 nan 0.000 0.471 96 G N -1.090 107.644 108.800 -0.111 0.000 2.175 96 G HA2 -0.273 3.690 3.960 0.005 0.000 0.244 96 G HA3 -0.273 3.690 3.960 0.005 0.000 0.244 96 G C -0.003 174.811 174.900 -0.144 0.000 0.982 96 G CA 0.150 45.170 45.100 -0.133 0.000 0.641 96 G HN 0.669 nan 8.290 nan 0.000 0.527 97 L N 1.097 122.247 121.223 -0.123 0.000 2.395 97 L HA 0.648 4.991 4.340 0.005 0.000 0.269 97 L C 0.675 177.466 176.870 -0.131 0.000 1.133 97 L CA -0.053 54.731 54.840 -0.094 0.000 0.812 97 L CB 1.709 43.739 42.059 -0.048 0.000 1.125 97 L HN 0.220 nan 8.230 nan 0.000 0.452 98 S N 1.221 116.879 115.700 -0.069 0.000 2.532 98 S HA 0.479 4.952 4.470 0.005 0.000 0.299 98 S C -0.298 174.334 174.600 0.053 0.000 1.105 98 S CA -0.727 57.484 58.200 0.017 0.000 1.018 98 S CB 1.552 64.784 63.200 0.053 0.000 1.021 98 S HN 0.694 nan 8.310 nan 0.000 0.483 99 S N 3.043 118.791 115.700 0.080 0.000 2.624 99 S HA 0.240 4.713 4.470 0.005 0.000 0.263 99 S C 1.272 175.890 174.600 0.030 0.000 1.287 99 S CA 0.234 58.447 58.200 0.021 0.000 0.990 99 S CB 0.685 63.889 63.200 0.006 0.000 0.950 99 S HN 0.788 nan 8.310 nan 0.000 0.561 100 T N 0.135 114.687 114.554 -0.004 0.000 2.929 100 T HA -0.033 4.320 4.350 0.005 0.000 0.271 100 T C 1.783 176.472 174.700 -0.018 0.000 1.085 100 T CA 1.356 63.455 62.100 -0.003 0.000 1.125 100 T CB -0.427 68.442 68.868 0.003 0.000 0.874 100 T HN 0.669 nan 8.240 nan 0.000 0.494 101 R N -0.334 120.156 120.500 -0.016 0.000 2.066 101 R HA 0.173 4.516 4.340 0.005 0.000 0.224 101 R C 2.874 179.175 176.300 0.002 0.000 1.122 101 R CA 1.043 57.094 56.100 -0.082 0.000 0.974 101 R CB -0.640 29.583 30.300 -0.129 0.000 0.871 101 R HN 0.348 nan 8.270 nan 0.000 0.435 102 G N 0.193 109.053 108.800 0.099 0.000 2.443 102 G HA2 -0.165 3.798 3.960 0.005 0.000 0.219 102 G HA3 -0.165 3.798 3.960 0.005 0.000 0.219 102 G C 1.435 176.302 174.900 -0.055 0.000 1.131 102 G CA 0.655 45.781 45.100 0.043 0.000 0.775 102 G HN 0.436 nan 8.290 nan 0.000 0.547 103 G N 0.596 109.425 108.800 0.049 0.000 2.470 103 G HA2 -0.127 3.837 3.960 0.005 0.000 0.220 103 G HA3 -0.127 3.837 3.960 0.005 0.000 0.220 103 G C 1.613 176.461 174.900 -0.088 0.000 1.121 103 G CA 0.613 45.738 45.100 0.042 0.000 0.766 103 G HN 0.479 nan 8.290 nan 0.000 0.553 104 K N -0.352 119.936 120.400 -0.187 0.000 2.444 104 K HA 0.288 4.612 4.320 0.005 0.000 0.193 104 K C 2.213 178.555 176.600 -0.430 0.000 1.024 104 K CA -0.306 55.739 56.287 -0.404 0.000 1.077 104 K CB -0.008 32.047 32.500 -0.743 0.000 0.833 104 K HN 0.282 nan 8.250 nan 0.000 0.517 105 M N 0.586 120.022 119.600 -0.273 0.000 2.106 105 M HA -0.242 4.241 4.480 0.005 0.000 0.259 105 M C 2.394 178.568 176.300 -0.209 0.000 1.068 105 M CA 1.872 56.992 55.300 -0.300 0.000 1.100 105 M CB -0.437 31.838 32.600 -0.541 0.000 1.351 105 M HN 0.270 nan 8.290 nan 0.000 0.404 106 A N -0.610 122.112 122.820 -0.163 0.000 1.940 106 A HA -0.162 4.162 4.320 0.005 0.000 0.219 106 A C 2.228 179.789 177.584 -0.039 0.000 1.176 106 A CA 2.223 54.221 52.037 -0.066 0.000 0.631 106 A CB -0.769 18.205 19.000 -0.044 0.000 0.814 106 A HN 0.480 nan 8.150 nan 0.000 0.446 107 S N -1.465 114.160 115.700 -0.125 0.000 2.423 107 S HA -0.051 4.422 4.470 0.005 0.000 0.231 107 S C 1.289 175.968 174.600 0.131 0.000 1.014 107 S CA 0.832 58.987 58.200 -0.076 0.000 0.965 107 S CB -0.345 62.722 63.200 -0.223 0.000 0.785 107 S HN 0.668 nan 8.310 nan 0.000 0.495 108 Y N 0.624 120.895 120.300 -0.049 0.000 2.466 108 Y HA 0.367 4.920 4.550 0.005 0.000 0.272 108 Y C 0.775 176.724 175.900 0.082 0.000 1.169 108 Y CA -0.884 57.140 58.100 -0.127 0.000 1.285 108 Y CB -0.599 37.575 38.460 -0.477 0.000 1.078 108 Y HN 0.191 nan 8.280 nan 0.000 0.523 109 M N -0.462 119.302 119.600 0.273 0.000 2.240 109 M HA -0.012 4.471 4.480 0.005 0.000 0.333 109 M C -0.075 176.396 176.300 0.285 0.000 1.110 109 M CA -0.808 54.710 55.300 0.362 0.000 1.173 109 M CB -0.221 32.557 32.600 0.297 0.000 1.458 109 M HN 0.245 nan 8.290 nan 0.000 0.458 110 Y N 2.007 122.414 120.300 0.179 0.000 2.442 110 Y HA 0.316 4.869 4.550 0.005 0.000 0.330 110 Y C 0.180 176.122 175.900 0.071 0.000 1.129 110 Y CA -0.054 58.097 58.100 0.084 0.000 1.365 110 Y CB 0.425 38.881 38.460 -0.006 0.000 1.233 110 Y HN 0.718 nan 8.280 nan 0.000 0.529 111 T N 4.582 118.515 114.554 -1.036 0.000 2.900 111 T HA 0.379 4.733 4.350 0.005 0.000 0.303 111 T C -2.518 171.569 174.700 -1.021 0.000 1.142 111 T CA -1.990 59.576 62.100 -0.891 0.000 1.007 111 T CB 2.159 70.831 68.868 -0.328 0.000 1.156 111 T HN 0.366 nan 8.240 nan 0.000 0.490 112 P HA 0.049 nan 4.420 nan 0.000 0.233 112 P C 1.077 178.306 177.300 -0.119 0.000 1.167 112 P CA 0.804 63.780 63.100 -0.207 0.000 0.770 112 P CB -0.100 31.589 31.700 -0.019 0.000 0.837 113 T N -5.642 108.829 114.554 -0.137 0.000 3.004 113 T HA 0.374 4.728 4.350 0.005 0.000 0.266 113 T C 1.119 175.783 174.700 -0.059 0.000 0.986 113 T CA 0.073 62.131 62.100 -0.070 0.000 0.902 113 T CB -0.017 68.821 68.868 -0.050 0.000 1.118 113 T HN -0.013 nan 8.240 nan 0.000 0.522 114 G N 1.054 109.801 108.800 -0.089 0.000 2.574 114 G HA2 0.373 4.336 3.960 0.005 0.000 0.248 114 G HA3 0.373 4.336 3.960 0.005 0.000 0.248 114 G C 0.157 175.061 174.900 0.006 0.000 1.422 114 G CA -0.282 44.798 45.100 -0.033 0.000 1.051 114 G HN 0.089 nan 8.290 nan 0.000 0.560 115 D N -0.247 120.203 120.400 0.083 0.000 2.264 115 D HA -0.022 4.621 4.640 0.005 0.000 0.208 115 D C 2.199 178.557 176.300 0.096 0.000 0.966 115 D CA 1.147 55.236 54.000 0.148 0.000 0.864 115 D CB -0.163 40.832 40.800 0.325 0.000 0.933 115 D HN 0.363 nan 8.370 nan 0.000 0.499 116 G N 0.385 109.257 108.800 0.120 0.000 3.284 116 G HA2 -0.083 3.880 3.960 0.005 0.000 0.236 116 G HA3 -0.083 3.880 3.960 0.005 0.000 0.236 116 G C 1.315 176.314 174.900 0.166 0.000 1.158 116 G CA -0.252 44.992 45.100 0.239 0.000 0.774 116 G HN 0.165 nan 8.290 nan 0.000 0.545 117 K N 0.789 121.185 120.400 -0.007 0.000 2.127 117 K HA -0.143 4.180 4.320 0.005 0.000 0.208 117 K C 1.283 177.926 176.600 0.071 0.000 1.047 117 K CA 1.264 57.561 56.287 0.016 0.000 0.927 117 K CB 0.119 32.592 32.500 -0.045 0.000 0.716 117 K HN 0.143 nan 8.250 nan 0.000 0.450 118 E N 1.016 121.181 120.200 -0.059 0.000 2.437 118 E HA 0.024 4.377 4.350 0.005 0.000 0.189 118 E C -0.130 176.524 176.600 0.090 0.000 1.054 118 E CA -0.023 56.360 56.400 -0.029 0.000 0.874 118 E CB 0.158 29.755 29.700 -0.172 0.000 1.011 118 E HN 0.166 nan 8.360 nan 0.000 0.474 119 R N 0.787 121.325 120.500 0.064 0.000 2.638 119 R HA 0.068 4.411 4.340 0.005 0.000 0.268 119 R C 0.561 176.734 176.300 -0.212 0.000 1.006 119 R CA 0.049 55.995 56.100 -0.257 0.000 1.088 119 R CB 0.296 30.440 30.300 -0.261 0.000 0.950 119 R HN 0.135 nan 8.270 nan 0.000 0.419 120 L N 2.166 123.231 121.223 -0.263 0.000 2.455 120 L HA -0.025 4.318 4.340 0.005 0.000 0.272 120 L C 1.267 178.013 176.870 -0.208 0.000 1.174 120 L CA 0.529 55.249 54.840 -0.201 0.000 0.869 120 L CB 0.691 42.630 42.059 -0.200 0.000 1.130 120 L HN 0.759 nan 8.230 nan 0.000 0.474 121 S N 0.501 116.103 115.700 -0.162 0.000 2.960 121 S HA 0.614 5.087 4.470 0.005 0.000 0.256 121 S C -0.089 174.474 174.600 -0.062 0.000 1.017 121 S CA 0.001 58.115 58.200 -0.143 0.000 1.144 121 S CB 0.852 63.932 63.200 -0.199 0.000 1.109 121 S HN 0.715 nan 8.310 nan 0.000 0.638 122 A N 1.155 123.919 122.820 -0.093 0.000 2.608 122 A HA 0.805 5.128 4.320 0.005 0.000 0.292 122 A C -3.448 173.978 177.584 -0.263 0.000 1.066 122 A CA -1.434 50.533 52.037 -0.117 0.000 0.676 122 A CB 0.285 19.241 19.000 -0.073 0.000 1.277 122 A HN 0.119 nan 8.150 nan 0.000 0.413 123 P HA 0.371 nan 4.420 nan 0.000 0.268 123 P C -0.881 176.298 177.300 -0.202 0.000 1.205 123 P CA -0.006 62.796 63.100 -0.497 0.000 0.771 123 P CB 0.420 31.713 31.700 -0.678 0.000 0.858 124 R N 2.294 122.734 120.500 -0.100 0.000 2.599 124 R HA 0.628 4.971 4.340 0.005 0.000 0.295 124 R C -1.020 175.481 176.300 0.335 0.000 0.963 124 R CA -0.988 55.174 56.100 0.103 0.000 0.883 124 R CB 1.710 31.994 30.300 -0.025 0.000 1.171 124 R HN 0.401 nan 8.270 nan 0.000 0.450 125 L N 2.437 123.895 121.223 0.391 0.000 2.385 125 L HA 0.388 4.731 4.340 0.005 0.000 0.273 125 L C -1.381 175.507 176.870 0.031 0.000 0.990 125 L CA -0.779 54.212 54.840 0.252 0.000 0.821 125 L CB 1.590 43.744 42.059 0.159 0.000 1.279 125 L HN 0.548 nan 8.230 nan 0.000 0.412 126 Y N 4.823 124.839 120.300 -0.472 0.000 2.650 126 Y HA 0.567 5.120 4.550 0.005 0.000 0.343 126 Y C 0.483 176.206 175.900 -0.295 0.000 1.078 126 Y CA -0.506 57.081 58.100 -0.855 0.000 1.356 126 Y CB 0.768 38.462 38.460 -1.278 0.000 1.204 126 Y HN 0.745 nan 8.280 nan 0.000 0.508 127 A N 5.432 127.999 122.820 -0.421 0.000 3.026 127 A HA 0.496 4.820 4.320 0.005 0.000 0.272 127 A C 1.455 178.878 177.584 -0.269 0.000 1.782 127 A CA 0.554 52.463 52.037 -0.213 0.000 1.451 127 A CB -1.561 17.349 19.000 -0.150 0.000 1.081 127 A HN 1.626 nan 8.150 nan 0.000 0.611 128 A N 1.681 124.414 122.820 -0.146 0.000 2.066 128 A HA -0.330 3.993 4.320 0.005 0.000 0.231 128 A C 0.975 178.535 177.584 -0.041 0.000 0.465 128 A CA 2.359 54.373 52.037 -0.037 0.000 1.110 128 A CB -1.868 17.107 19.000 -0.041 0.000 1.434 128 A HN 1.437 nan 8.150 nan 0.000 0.706 129 D N -0.950 119.252 120.400 -0.329 0.000 2.602 129 D HA 0.418 5.062 4.640 0.005 0.000 0.265 129 D C -0.044 175.971 176.300 -0.475 0.000 1.454 129 D CA 0.844 54.706 54.000 -0.231 0.000 0.795 129 D CB -0.457 40.296 40.800 -0.079 0.000 1.140 129 D HN 1.137 nan 8.370 nan 0.000 0.486 130 E N -1.551 117.983 120.200 -1.109 0.000 2.401 130 E HA 0.310 4.663 4.350 0.005 0.000 0.283 130 E C -1.587 174.502 176.600 -0.851 0.000 1.053 130 E CA -1.069 54.896 56.400 -0.725 0.000 0.842 130 E CB 0.167 29.702 29.700 -0.276 0.000 1.222 130 E HN -0.002 nan 8.360 nan 0.000 0.429 131 W N 2.479 123.627 121.300 -0.253 0.000 2.287 131 W HA 0.469 5.132 4.660 0.005 0.000 0.313 131 W C 0.005 176.480 176.519 -0.073 0.000 1.267 131 W CA -0.119 57.186 57.345 -0.068 0.000 1.201 131 W CB 1.598 31.103 29.460 0.074 0.000 1.196 131 W HN 0.525 nan 8.180 nan 0.000 0.536 132 V N 0.046 120.091 119.914 0.218 0.000 3.130 132 V HA 0.519 4.642 4.120 0.005 0.000 0.310 132 V C -0.558 175.616 176.094 0.132 0.000 1.158 132 V CA -1.287 61.086 62.300 0.122 0.000 1.029 132 V CB 1.744 33.584 31.823 0.028 0.000 1.057 132 V HN 0.288 nan 8.190 nan 0.000 0.436 133 D N 1.097 121.539 120.400 0.070 0.000 2.344 133 D HA 0.642 5.285 4.640 0.005 0.000 0.244 133 D C -0.040 176.283 176.300 0.038 0.000 1.134 133 D CA 0.383 54.406 54.000 0.039 0.000 0.930 133 D CB 1.739 42.546 40.800 0.011 0.000 1.175 133 D HN 0.924 nan 8.370 nan 0.000 0.437 134 T N -1.146 113.419 114.554 0.018 0.000 2.841 134 T HA 0.488 4.841 4.350 0.005 0.000 0.296 134 T C -0.694 174.011 174.700 0.009 0.000 1.166 134 T CA -0.669 61.463 62.100 0.054 0.000 1.007 134 T CB 1.166 70.138 68.868 0.173 0.000 1.253 134 T HN 0.404 nan 8.240 nan 0.000 0.511 135 T N -0.319 114.278 114.554 0.070 0.000 2.882 135 T HA 0.273 4.627 4.350 0.005 0.000 0.287 135 T C 0.970 175.721 174.700 0.085 0.000 1.014 135 T CA -0.386 61.766 62.100 0.087 0.000 1.049 135 T CB 0.694 69.635 68.868 0.121 0.000 1.001 135 T HN 0.752 nan 8.240 nan 0.000 0.525 136 W N 0.553 121.867 121.300 0.023 0.000 2.363 136 W HA -0.019 4.644 4.660 0.005 0.000 0.296 136 W C 1.983 178.507 176.519 0.008 0.000 1.212 136 W CA 1.042 58.388 57.345 0.002 0.000 1.260 136 W CB -0.188 29.265 29.460 -0.011 0.000 1.131 136 W HN 0.751 nan 8.180 nan 0.000 0.530 137 D N -2.027 118.533 120.400 0.267 0.000 2.144 137 D HA -0.225 4.418 4.640 0.005 0.000 0.199 137 D C 1.882 178.269 176.300 0.146 0.000 0.984 137 D CA 1.495 55.597 54.000 0.171 0.000 0.834 137 D CB -0.747 40.127 40.800 0.123 0.000 0.955 137 D HN 0.350 nan 8.370 nan 0.000 0.465 138 H N 0.294 119.398 119.070 0.056 0.000 2.326 138 H HA 0.002 4.562 4.556 0.005 0.000 0.301 138 H C 1.906 177.250 175.328 0.028 0.000 1.081 138 H CA 1.336 57.400 56.048 0.026 0.000 1.334 138 H CB 0.280 30.048 29.762 0.010 0.000 1.385 138 H HN 0.062 nan 8.280 nan 0.000 0.504 139 A N 1.558 124.289 122.820 -0.148 0.000 1.908 139 A HA -0.194 4.129 4.320 0.005 0.000 0.218 139 A C 2.495 180.032 177.584 -0.078 0.000 1.181 139 A CA 1.809 53.725 52.037 -0.201 0.000 0.627 139 A CB -0.497 18.355 19.000 -0.247 0.000 0.818 139 A HN 0.384 nan 8.150 nan 0.000 0.445 140 M N -0.606 119.010 119.600 0.027 0.000 2.132 140 M HA -0.070 4.413 4.480 0.005 0.000 0.263 140 M C 2.542 178.854 176.300 0.021 0.000 1.065 140 M CA 1.561 56.910 55.300 0.081 0.000 1.122 140 M CB -1.565 31.107 32.600 0.119 0.000 1.365 140 M HN 0.484 nan 8.290 nan 0.000 0.411 141 A N 0.201 123.009 122.820 -0.019 0.000 1.933 141 A HA -0.156 4.167 4.320 0.005 0.000 0.218 141 A C 2.231 179.752 177.584 -0.105 0.000 1.175 141 A CA 1.386 53.393 52.037 -0.050 0.000 0.628 141 A CB -0.832 18.167 19.000 -0.001 0.000 0.814 141 A HN 0.415 nan 8.150 nan 0.000 0.444 142 L N -2.014 119.108 121.223 -0.169 0.000 2.044 142 L HA -0.055 4.288 4.340 0.005 0.000 0.205 142 L C 2.277 179.032 176.870 -0.191 0.000 1.075 142 L CA 2.199 56.909 54.840 -0.217 0.000 0.747 142 L CB -0.879 40.991 42.059 -0.314 0.000 0.903 142 L HN 0.491 nan 8.230 nan 0.000 0.435 143 Y N 0.088 120.271 120.300 -0.195 0.000 2.133 143 Y HA -0.107 4.447 4.550 0.005 0.000 0.287 143 Y C 2.412 178.237 175.900 -0.125 0.000 1.134 143 Y CA 1.893 59.915 58.100 -0.129 0.000 1.133 143 Y CB -0.527 37.914 38.460 -0.031 0.000 0.987 143 Y HN 0.227 nan 8.280 nan 0.000 0.502 144 A N -0.058 122.751 122.820 -0.017 0.000 1.969 144 A HA -0.060 4.263 4.320 0.005 0.000 0.218 144 A C 2.419 179.870 177.584 -0.222 0.000 1.169 144 A CA 1.540 53.499 52.037 -0.130 0.000 0.635 144 A CB -1.644 17.297 19.000 -0.098 0.000 0.810 144 A HN 0.603 nan 8.150 nan 0.000 0.445 145 G N -0.079 108.597 108.800 -0.207 0.000 2.421 145 G HA2 -0.164 3.799 3.960 0.005 0.000 0.216 145 G HA3 -0.164 3.799 3.960 0.005 0.000 0.216 145 G C 1.541 176.292 174.900 -0.249 0.000 1.171 145 G CA 1.058 46.021 45.100 -0.228 0.000 0.775 145 G HN 0.434 nan 8.290 nan 0.000 0.543 146 L N 0.053 121.103 121.223 -0.288 0.000 2.093 146 L HA 0.068 4.411 4.340 0.005 0.000 0.208 146 L C 2.826 179.574 176.870 -0.203 0.000 1.085 146 L CA 0.503 55.184 54.840 -0.266 0.000 0.755 146 L CB -0.254 41.554 42.059 -0.418 0.000 0.904 146 L HN 0.191 nan 8.230 nan 0.000 0.435 147 I N -0.126 120.283 120.570 -0.267 0.000 2.252 147 I HA -0.305 3.868 4.170 0.005 0.000 0.245 147 I C 2.675 178.752 176.117 -0.068 0.000 1.102 147 I CA 1.289 62.491 61.300 -0.162 0.000 1.385 147 I CB -0.264 37.622 38.000 -0.189 0.000 1.064 147 I HN 0.260 nan 8.210 nan 0.000 0.414 148 K N 1.601 121.912 120.400 -0.149 0.000 2.026 148 K HA -0.245 4.078 4.320 0.005 0.000 0.208 148 K C 2.238 178.767 176.600 -0.120 0.000 1.048 148 K CA 1.588 57.780 56.287 -0.159 0.000 0.929 148 K CB -0.038 32.207 32.500 -0.424 0.000 0.713 148 K HN 0.069 nan 8.250 nan 0.000 0.439 149 K N -0.169 120.117 120.400 -0.190 0.000 2.097 149 K HA -0.103 4.220 4.320 0.005 0.000 0.206 149 K C 1.788 178.293 176.600 -0.158 0.000 1.049 149 K CA 1.878 58.001 56.287 -0.274 0.000 0.933 149 K CB -0.012 32.203 32.500 -0.477 0.000 0.717 149 K HN 0.174 nan 8.250 nan 0.000 0.442 150 T N 1.640 116.209 114.554 0.025 0.000 2.737 150 T HA -0.101 4.252 4.350 0.005 0.000 0.265 150 T C 1.749 176.528 174.700 0.132 0.000 1.038 150 T CA 1.178 63.393 62.100 0.192 0.000 1.144 150 T CB -0.121 68.849 68.868 0.171 0.000 0.866 150 T HN 0.149 nan 8.240 nan 0.000 0.434 151 L N 0.847 122.141 121.223 0.118 0.000 2.083 151 L HA -0.130 4.213 4.340 0.005 0.000 0.209 151 L C 2.422 179.367 176.870 0.125 0.000 1.083 151 L CA 1.164 56.092 54.840 0.147 0.000 0.752 151 L CB -0.526 41.671 42.059 0.230 0.000 0.899 151 L HN 0.171 nan 8.230 nan 0.000 0.433 152 D N -0.146 120.317 120.400 0.105 0.000 2.149 152 D HA -0.124 4.519 4.640 0.005 0.000 0.201 152 D C 2.198 178.525 176.300 0.045 0.000 0.972 152 D CA 1.186 55.232 54.000 0.077 0.000 0.835 152 D CB 0.124 40.943 40.800 0.032 0.000 0.966 152 D HN 0.298 nan 8.370 nan 0.000 0.476 153 K N -0.099 120.324 120.400 0.038 0.000 2.190 153 K HA 0.046 4.370 4.320 0.005 0.000 0.202 153 K C 1.162 177.821 176.600 0.100 0.000 1.045 153 K CA 0.618 56.942 56.287 0.062 0.000 0.976 153 K CB 0.460 33.004 32.500 0.074 0.000 0.849 153 K HN 0.028 nan 8.250 nan 0.000 0.468 154 D N -0.097 120.382 120.400 0.133 0.000 2.355 154 D HA 0.082 4.725 4.640 0.005 0.000 0.206 154 D C 0.879 177.236 176.300 0.094 0.000 1.010 154 D CA 0.673 54.744 54.000 0.118 0.000 0.875 154 D CB 0.895 41.779 40.800 0.138 0.000 0.966 154 D HN 0.294 nan 8.370 nan 0.000 0.512 155 G N 1.715 110.571 108.800 0.094 0.000 2.712 155 G HA2 -0.177 3.786 3.960 0.005 0.000 0.683 155 G HA3 -0.177 3.786 3.960 0.005 0.000 0.683 155 G C -2.179 172.776 174.900 0.093 0.000 1.320 155 G CA -0.379 44.768 45.100 0.078 0.000 0.847 155 G HN -0.132 nan 8.290 nan 0.000 0.553 156 P HA -0.112 nan 4.420 nan 0.000 0.225 156 P C 1.632 178.980 177.300 0.080 0.000 1.148 156 P CA 1.827 64.981 63.100 0.089 0.000 0.779 156 P CB -0.125 31.610 31.700 0.058 0.000 0.780 157 Q N -0.367 119.473 119.800 0.066 0.000 2.439 157 Q HA -0.015 4.328 4.340 0.005 0.000 0.211 157 Q C 1.851 177.963 176.000 0.187 0.000 0.978 157 Q CA 1.752 57.597 55.803 0.070 0.000 0.897 157 Q CB -1.308 27.470 28.738 0.067 0.000 0.956 157 Q HN 0.164 nan 8.270 nan 0.000 0.483 158 G N 0.072 108.987 108.800 0.192 0.000 3.088 158 G HA2 0.240 4.203 3.960 0.005 0.000 0.217 158 G HA3 0.240 4.203 3.960 0.005 0.000 0.217 158 G C -0.253 174.816 174.900 0.282 0.000 1.159 158 G CA -0.196 45.047 45.100 0.239 0.000 0.760 158 G HN 0.175 nan 8.290 nan 0.000 0.550 159 V N 1.419 121.488 119.914 0.258 0.000 2.334 159 V HA 0.512 4.635 4.120 0.005 0.000 0.281 159 V C -0.873 175.351 176.094 0.217 0.000 1.016 159 V CA -0.776 61.635 62.300 0.184 0.000 0.832 159 V CB 0.718 32.630 31.823 0.147 0.000 0.999 159 V HN 0.149 nan 8.190 nan 0.000 0.439 160 F N 4.273 124.123 119.950 -0.166 0.000 2.492 160 F HA 0.783 5.313 4.527 0.005 0.000 0.327 160 F C -0.315 175.278 175.800 -0.345 0.000 1.079 160 F CA -0.627 57.305 58.000 -0.113 0.000 0.967 160 F CB 2.050 40.982 39.000 -0.113 0.000 1.169 160 F HN 0.310 nan 8.300 nan 0.000 0.472 161 F N 0.536 120.573 119.950 0.146 0.000 2.619 161 F HA 0.418 4.949 4.527 0.005 0.000 0.308 161 F C -0.396 175.434 175.800 0.051 0.000 1.097 161 F CA -0.865 57.186 58.000 0.086 0.000 0.953 161 F CB 2.230 41.316 39.000 0.143 0.000 1.287 161 F HN 0.169 nan 8.300 nan 0.000 0.446 162 S N 1.898 117.711 115.700 0.189 0.000 2.659 162 S HA 0.676 5.149 4.470 0.005 0.000 0.312 162 S C -1.441 173.366 174.600 0.345 0.000 1.114 162 S CA -0.338 58.000 58.200 0.230 0.000 1.063 162 S CB 0.835 64.133 63.200 0.163 0.000 0.996 162 S HN 0.805 nan 8.310 nan 0.000 0.478 163 C N 6.487 125.960 119.300 0.289 0.000 2.712 163 C HA 0.781 5.244 4.460 0.005 0.000 0.308 163 C C -0.209 174.825 174.990 0.073 0.000 1.201 163 C CA -1.435 57.652 59.018 0.116 0.000 1.554 163 C CB 0.001 27.599 27.740 -0.236 0.000 2.117 163 C HN 0.931 nan 8.230 nan 0.000 0.480 164 F N 3.503 123.539 119.950 0.143 0.000 2.626 164 F HA 0.334 4.864 4.527 0.005 0.000 0.354 164 F C 0.920 176.732 175.800 0.021 0.000 1.168 164 F CA 0.464 58.437 58.000 -0.045 0.000 1.368 164 F CB 0.447 39.122 39.000 -0.542 0.000 1.092 164 F HN 0.659 nan 8.300 nan 0.000 0.612 165 D N -0.762 119.830 120.400 0.320 0.000 2.556 165 D HA 0.072 4.715 4.640 0.005 0.000 0.237 165 D C -0.057 176.488 176.300 0.408 0.000 1.296 165 D CA -0.094 54.123 54.000 0.360 0.000 0.807 165 D CB -1.024 40.045 40.800 0.448 0.000 1.084 165 D HN 0.825 nan 8.370 nan 0.000 0.510 166 H N -1.092 118.147 119.070 0.282 0.000 2.645 166 H HA 0.779 5.338 4.556 0.006 0.000 0.308 166 H C 0.757 176.103 175.328 0.031 0.000 1.495 166 H CA -0.431 55.693 56.048 0.126 0.000 1.518 166 H CB 0.457 30.174 29.762 -0.074 0.000 1.752 166 H HN -0.019 nan 8.280 nan 0.000 0.797 167 G N -2.424 106.540 108.800 0.273 0.000 2.671 167 G HA2 0.516 4.479 3.960 0.005 0.000 0.275 167 G HA3 0.516 4.479 3.960 0.005 0.000 0.275 167 G C 0.241 175.249 174.900 0.180 0.000 1.368 167 G CA -0.587 44.558 45.100 0.075 0.000 1.044 167 G HN 1.147 nan 8.290 nan 0.000 0.543 168 G N -1.058 107.758 108.800 0.027 0.000 2.641 168 G HA2 0.301 4.265 3.960 0.005 0.000 0.254 168 G HA3 0.301 4.265 3.960 0.005 0.000 0.254 168 G C 0.611 175.482 174.900 -0.048 0.000 1.315 168 G CA 0.290 45.393 45.100 0.005 0.000 0.907 168 G HN 2.069 nan 8.290 nan 0.000 0.572 169 A N -0.221 122.546 122.820 -0.088 0.000 2.546 169 A HA 0.609 4.933 4.320 0.005 0.000 0.243 169 A C 2.029 179.627 177.584 0.024 0.000 1.063 169 A CA 2.082 54.038 52.037 -0.136 0.000 0.757 169 A CB -0.486 18.391 19.000 -0.206 0.000 0.991 169 A HN 2.920 nan 8.150 nan 0.000 0.503 170 G N 1.115 109.827 108.800 -0.147 0.000 2.147 170 G HA2 0.206 4.169 3.960 0.005 0.000 0.244 170 G HA3 0.206 4.169 3.960 0.005 0.000 0.244 170 G C 0.898 175.223 174.900 -0.959 0.000 1.005 170 G CA 0.859 45.746 45.100 -0.355 0.000 0.713 170 G HN 2.415 nan 8.290 nan 0.000 0.515 171 G N -2.046 106.312 108.800 -0.736 0.000 2.604 171 G HA2 0.908 4.871 3.960 0.005 0.000 0.242 171 G HA3 0.908 4.871 3.960 0.005 0.000 0.242 171 G C 0.499 175.200 174.900 -0.332 0.000 1.208 171 G CA 1.119 45.743 45.100 -0.794 0.000 0.912 171 G HN 2.405 nan 8.290 nan 0.000 0.502 172 G N -2.078 106.604 108.800 -0.197 0.000 2.619 172 G HA2 0.180 4.143 3.960 0.005 0.000 0.686 172 G HA3 0.180 4.143 3.960 0.005 0.000 0.686 172 G C 0.336 175.186 174.900 -0.083 0.000 1.256 172 G CA 0.140 45.118 45.100 -0.202 0.000 0.826 172 G HN 0.992 nan 8.290 nan 0.000 0.619 173 F N 0.487 120.516 119.950 0.131 0.000 2.171 173 F HA -0.016 4.514 4.527 0.005 0.000 0.300 173 F C 2.642 178.587 175.800 0.242 0.000 1.090 173 F CA 2.049 60.183 58.000 0.223 0.000 1.293 173 F CB -0.039 39.117 39.000 0.260 0.000 1.013 173 F HN 0.609 nan 8.300 nan 0.000 0.486 174 E N 0.180 120.602 120.200 0.370 0.000 2.047 174 E HA -0.153 4.200 4.350 0.005 0.000 0.191 174 E C 1.852 178.590 176.600 0.231 0.000 0.987 174 E CA 1.188 57.747 56.400 0.266 0.000 0.799 174 E CB -0.324 29.482 29.700 0.177 0.000 0.752 174 E HN 0.239 nan 8.360 nan 0.000 0.449 175 N N -0.218 118.588 118.700 0.176 0.000 2.171 175 N HA -0.094 4.649 4.740 0.005 0.000 0.184 175 N C 1.920 177.586 175.510 0.260 0.000 1.021 175 N CA 1.828 54.992 53.050 0.190 0.000 0.854 175 N CB -0.640 37.860 38.487 0.023 0.000 0.994 175 N HN 0.364 nan 8.380 nan 0.000 0.426 176 T N -2.069 112.641 114.554 0.261 0.000 2.867 176 T HA -0.126 4.227 4.350 0.005 0.000 0.268 176 T C 1.715 176.414 174.700 -0.001 0.000 1.057 176 T CA 0.497 62.646 62.100 0.082 0.000 1.136 176 T CB -0.515 68.366 68.868 0.022 0.000 0.874 176 T HN 0.417 nan 8.240 nan 0.000 0.466 177 W N 2.242 123.526 121.300 -0.026 0.000 2.407 177 W HA 0.015 4.678 4.660 0.005 0.000 0.305 177 W C 2.309 178.864 176.519 0.061 0.000 1.196 177 W CA 0.884 58.219 57.345 -0.018 0.000 1.311 177 W CB -0.624 28.845 29.460 0.015 0.000 1.135 177 W HN 0.396 nan 8.180 nan 0.000 0.514 178 G N 0.727 109.585 108.800 0.097 0.000 2.446 178 G HA2 -0.380 3.584 3.960 0.005 0.000 0.217 178 G HA3 -0.380 3.584 3.960 0.005 0.000 0.217 178 G C 1.501 176.364 174.900 -0.062 0.000 1.168 178 G CA 2.513 47.749 45.100 0.228 0.000 0.771 178 G HN 0.381 nan 8.290 nan 0.000 0.551 179 T N -1.175 113.180 114.554 -0.332 0.000 2.857 179 T HA 0.105 4.458 4.350 0.005 0.000 0.266 179 T C 2.452 176.727 174.700 -0.708 0.000 1.048 179 T CA 1.523 63.204 62.100 -0.699 0.000 1.139 179 T CB -0.554 67.607 68.868 -1.178 0.000 0.874 179 T HN 0.257 nan 8.240 nan 0.000 0.455 180 G N 1.377 109.772 108.800 -0.674 0.000 2.402 180 G HA2 -0.150 3.814 3.960 0.005 0.000 0.216 180 G HA3 -0.150 3.814 3.960 0.005 0.000 0.216 180 G C 1.587 176.062 174.900 -0.709 0.000 1.162 180 G CA 0.805 45.407 45.100 -0.830 0.000 0.777 180 G HN 0.560 nan 8.290 nan 0.000 0.539 181 K N -0.380 119.592 120.400 -0.714 0.000 2.057 181 K HA -0.014 4.309 4.320 0.005 0.000 0.207 181 K C 2.410 178.921 176.600 -0.148 0.000 1.049 181 K CA 1.048 56.964 56.287 -0.617 0.000 0.931 181 K CB -0.233 31.671 32.500 -0.995 0.000 0.714 181 K HN 0.252 nan 8.250 nan 0.000 0.440 182 L N 1.238 122.437 121.223 -0.041 0.000 1.994 182 L HA -0.148 4.195 4.340 0.005 0.000 0.208 182 L C 2.142 178.910 176.870 -0.169 0.000 1.071 182 L CA 1.761 56.573 54.840 -0.046 0.000 0.745 182 L CB -0.322 41.675 42.059 -0.104 0.000 0.892 182 L HN 0.244 nan 8.230 nan 0.000 0.431 183 M N -1.917 117.426 119.600 -0.427 0.000 2.132 183 M HA -0.151 4.333 4.480 0.005 0.000 0.263 183 M C 2.176 178.429 176.300 -0.077 0.000 1.065 183 M CA 1.925 56.968 55.300 -0.430 0.000 1.122 183 M CB -0.411 31.669 32.600 -0.866 0.000 1.365 183 M HN 0.220 nan 8.290 nan 0.000 0.411 184 F N -1.244 118.565 119.950 -0.234 0.000 2.437 184 F HA 0.055 4.585 4.527 0.005 0.000 0.288 184 F C 2.430 178.114 175.800 -0.193 0.000 1.085 184 F CA -0.034 57.836 58.000 -0.215 0.000 1.430 184 F CB 0.052 38.923 39.000 -0.215 0.000 1.120 184 F HN 0.019 nan 8.300 nan 0.000 0.556 185 S N -0.050 115.644 115.700 -0.009 0.000 2.456 185 S HA 0.131 4.604 4.470 0.005 0.000 0.224 185 S C 1.856 176.353 174.600 -0.172 0.000 1.035 185 S CA 0.698 58.850 58.200 -0.081 0.000 0.940 185 S CB 0.115 63.249 63.200 -0.110 0.000 0.799 185 S HN 0.301 nan 8.310 nan 0.000 0.508 186 A N 1.362 124.052 122.820 -0.215 0.000 1.919 186 A HA 0.359 4.682 4.320 0.005 0.000 0.211 186 A C 1.874 179.110 177.584 -0.580 0.000 1.310 186 A CA 0.254 51.947 52.037 -0.572 0.000 0.651 186 A CB -0.613 18.105 19.000 -0.470 0.000 0.996 186 A HN 0.349 nan 8.150 nan 0.000 0.479 187 I N -0.572 119.911 120.570 -0.146 0.000 2.353 187 I HA -0.196 3.977 4.170 0.005 0.000 0.248 187 I C 0.358 176.491 176.117 0.027 0.000 1.119 187 I CA 1.081 62.437 61.300 0.093 0.000 1.417 187 I CB -0.335 37.824 38.000 0.264 0.000 1.078 187 I HN 0.467 nan 8.210 nan 0.000 0.421 188 Q N 0.706 120.502 119.800 -0.007 0.000 2.478 188 Q HA -0.203 4.140 4.340 0.005 0.000 0.286 188 Q C 0.288 176.283 176.000 -0.008 0.000 1.299 188 Q CA 0.542 56.330 55.803 -0.025 0.000 0.826 188 Q CB -2.254 26.437 28.738 -0.078 0.000 1.199 188 Q HN 0.473 nan 8.270 nan 0.000 0.451 189 T N 0.445 115.043 114.554 0.074 0.000 2.799 189 T HA 0.423 4.777 4.350 0.005 0.000 0.286 189 T C -1.614 173.082 174.700 -0.005 0.000 0.973 189 T CA -1.808 60.329 62.100 0.061 0.000 1.035 189 T CB 1.164 70.138 68.868 0.176 0.000 0.932 189 T HN 0.054 nan 8.240 nan 0.000 0.469 190 P HA 0.175 nan 4.420 nan 0.000 0.261 190 P C 0.288 177.630 177.300 0.070 0.000 1.268 190 P CA -0.093 62.881 63.100 -0.209 0.000 0.833 190 P CB 0.281 31.810 31.700 -0.286 0.000 1.231 191 M N 0.952 120.511 119.600 -0.069 0.000 3.690 191 M HA 0.217 4.701 4.480 0.005 0.000 0.209 191 M C -0.304 175.946 176.300 -0.082 0.000 1.403 191 M CA -0.366 54.731 55.300 -0.338 0.000 1.621 191 M CB -0.469 31.477 32.600 -1.090 0.000 1.056 191 M HN -0.273 nan 8.290 nan 0.000 0.593 192 V N 2.045 122.084 119.914 0.208 0.000 2.656 192 V HA 0.605 4.728 4.120 0.005 0.000 0.307 192 V C 0.075 176.397 176.094 0.380 0.000 1.051 192 V CA -0.924 61.587 62.300 0.352 0.000 0.893 192 V CB 2.537 34.640 31.823 0.466 0.000 0.999 192 V HN 0.714 nan 8.190 nan 0.000 0.426 193 R N 4.179 124.887 120.500 0.346 0.000 2.923 193 R HA 0.880 5.223 4.340 0.005 0.000 0.252 193 R C -1.130 175.358 176.300 0.313 0.000 1.130 193 R CA -0.887 55.394 56.100 0.303 0.000 1.043 193 R CB 1.690 32.146 30.300 0.260 0.000 1.205 193 R HN 0.476 nan 8.270 nan 0.000 0.495 194 I N 1.017 121.718 120.570 0.219 0.000 2.822 194 I HA 0.159 4.333 4.170 0.005 0.000 0.312 194 I C 1.628 177.891 176.117 0.243 0.000 1.011 194 I CA -1.160 60.267 61.300 0.210 0.000 1.105 194 I CB 1.678 39.702 38.000 0.041 0.000 1.291 194 I HN 0.867 nan 8.210 nan 0.000 0.474 195 H N 2.747 122.002 119.070 0.307 0.000 2.422 195 H HA -0.144 4.415 4.556 0.005 0.000 0.298 195 H C 0.800 176.346 175.328 0.363 0.000 1.098 195 H CA 2.018 58.289 56.048 0.372 0.000 1.315 195 H CB -0.582 29.434 29.762 0.424 0.000 1.382 195 H HN 0.715 nan 8.280 nan 0.000 0.523 196 N N 0.685 119.215 118.700 -0.284 0.000 2.184 196 N HA 0.017 4.760 4.740 0.005 0.000 0.206 196 N C 0.002 175.568 175.510 0.094 0.000 1.151 196 N CA -0.425 52.629 53.050 0.008 0.000 0.878 196 N CB 0.590 39.136 38.487 0.097 0.000 1.014 196 N HN 0.554 nan 8.380 nan 0.000 0.512 197 R N -0.758 119.792 120.500 0.084 0.000 2.626 197 R HA 0.422 4.765 4.340 0.005 0.000 0.274 197 R C -2.832 173.504 176.300 0.060 0.000 1.031 197 R CA -1.345 54.788 56.100 0.055 0.000 0.898 197 R CB 1.379 31.764 30.300 0.142 0.000 1.222 197 R HN -0.237 nan 8.270 nan 0.000 0.455 198 P HA 0.073 nan 4.420 nan 0.000 0.258 198 P C -0.583 176.763 177.300 0.076 0.000 1.319 198 P CA 0.477 63.626 63.100 0.080 0.000 0.785 198 P CB 0.369 32.127 31.700 0.096 0.000 1.252 199 A N -0.632 122.204 122.820 0.027 0.000 2.588 199 A HA 0.475 4.798 4.320 0.005 0.000 0.290 199 A C -1.791 175.797 177.584 0.008 0.000 1.136 199 A CA -0.694 51.365 52.037 0.037 0.000 0.681 199 A CB 0.370 19.349 19.000 -0.036 0.000 1.282 199 A HN -0.039 nan 8.150 nan 0.000 0.421 200 Y N 2.579 122.785 120.300 -0.156 0.000 2.650 200 Y HA 0.416 4.969 4.550 0.006 0.000 0.343 200 Y C 0.261 176.034 175.900 -0.211 0.000 1.078 200 Y CA 0.095 58.044 58.100 -0.251 0.000 1.356 200 Y CB 0.033 38.077 38.460 -0.694 0.000 1.204 200 Y HN 0.867 nan 8.280 nan 0.000 0.508 201 N N 0.914 119.449 118.700 -0.274 0.000 3.278 201 N HA 0.504 5.247 4.740 0.005 0.000 0.307 201 N C -1.551 173.876 175.510 -0.138 0.000 1.551 201 N CA -1.029 52.015 53.050 -0.010 0.000 0.794 201 N CB 1.499 40.072 38.487 0.144 0.000 1.770 201 N HN 0.179 nan 8.380 nan 0.000 0.612 202 S N -1.798 113.768 115.700 -0.222 0.000 2.566 202 S HA 0.343 4.816 4.470 0.005 0.000 0.298 202 S C -0.034 174.426 174.600 -0.234 0.000 1.083 202 S CA -0.554 57.393 58.200 -0.422 0.000 0.978 202 S CB 0.992 63.731 63.200 -0.769 0.000 1.073 202 S HN 0.518 nan 8.310 nan 0.000 0.491 203 E N 1.410 121.546 120.200 -0.105 0.000 2.427 203 E HA 0.036 4.389 4.350 0.005 0.000 0.196 203 E C 0.017 176.603 176.600 -0.023 0.000 1.028 203 E CA 0.444 56.834 56.400 -0.017 0.000 0.864 203 E CB 0.050 29.703 29.700 -0.078 0.000 0.813 203 E HN 0.549 nan 8.360 nan 0.000 0.514 204 C N 0.813 120.049 119.300 -0.107 0.000 2.778 204 C HA 0.246 4.709 4.460 0.005 0.000 0.252 204 C C 1.378 176.328 174.990 -0.066 0.000 1.693 204 C CA -0.860 58.126 59.018 -0.054 0.000 1.724 204 C CB -1.023 26.718 27.740 0.003 0.000 3.153 204 C HN 0.448 nan 8.230 nan 0.000 0.493 205 H N 1.317 120.430 119.070 0.071 0.000 2.319 205 H HA -0.143 4.416 4.556 0.005 0.000 0.299 205 H C 2.300 177.649 175.328 0.035 0.000 1.092 205 H CA 2.188 58.306 56.048 0.116 0.000 1.302 205 H CB -0.174 29.743 29.762 0.259 0.000 1.373 205 H HN 0.595 nan 8.280 nan 0.000 0.497 206 A N 0.116 122.903 122.820 -0.055 0.000 1.858 206 A HA -0.186 4.137 4.320 0.005 0.000 0.216 206 A C 2.686 180.132 177.584 -0.229 0.000 1.190 206 A CA 2.303 54.084 52.037 -0.427 0.000 0.617 206 A CB -1.135 17.360 19.000 -0.842 0.000 0.827 206 A HN 0.457 nan 8.150 nan 0.000 0.443 207 T N -1.045 113.403 114.554 -0.177 0.000 2.788 207 T HA -0.161 4.192 4.350 0.005 0.000 0.268 207 T C 2.070 176.720 174.700 -0.083 0.000 1.044 207 T CA 1.758 63.774 62.100 -0.139 0.000 1.139 207 T CB -0.297 68.525 68.868 -0.076 0.000 0.867 207 T HN 0.543 nan 8.240 nan 0.000 0.454 208 R N 0.338 120.820 120.500 -0.029 0.000 2.075 208 R HA -0.008 4.335 4.340 0.005 0.000 0.232 208 R C 2.574 178.869 176.300 -0.008 0.000 1.126 208 R CA 1.689 57.792 56.100 0.005 0.000 0.963 208 R CB -0.175 30.142 30.300 0.029 0.000 0.858 208 R HN 0.552 nan 8.270 nan 0.000 0.435 209 E N 0.318 120.525 120.200 0.012 0.000 2.204 209 E HA -0.144 4.209 4.350 0.005 0.000 0.194 209 E C 1.736 178.298 176.600 -0.064 0.000 0.989 209 E CA 1.069 57.483 56.400 0.024 0.000 0.824 209 E CB 0.019 29.784 29.700 0.108 0.000 0.756 209 E HN 0.321 nan 8.360 nan 0.000 0.477 210 M N -1.001 118.522 119.600 -0.130 0.000 2.619 210 M HA 0.078 4.562 4.480 0.005 0.000 0.251 210 M C 1.189 177.279 176.300 -0.350 0.000 1.106 210 M CA 0.872 56.037 55.300 -0.225 0.000 1.086 210 M CB 0.692 33.135 32.600 -0.262 0.000 1.465 210 M HN 0.294 nan 8.290 nan 0.000 0.506 211 G N 1.289 109.944 108.800 -0.243 0.000 2.184 211 G HA2 -0.185 3.778 3.960 0.005 0.000 0.206 211 G HA3 -0.185 3.778 3.960 0.005 0.000 0.206 211 G C 0.005 174.801 174.900 -0.173 0.000 0.995 211 G CA -0.620 44.363 45.100 -0.195 0.000 0.651 211 G HN 0.424 nan 8.290 nan 0.000 0.511 212 I N 2.284 122.755 120.570 -0.166 0.000 2.428 212 I HA 0.489 4.663 4.170 0.005 0.000 0.279 212 I C 1.142 177.328 176.117 0.115 0.000 1.040 212 I CA -0.577 60.658 61.300 -0.108 0.000 1.171 212 I CB 1.365 39.283 38.000 -0.136 0.000 1.312 212 I HN 0.151 nan 8.210 nan 0.000 0.470 213 G N 4.648 113.628 108.800 0.300 0.000 2.414 213 G HA2 0.004 3.968 3.960 0.005 0.000 0.236 213 G HA3 0.004 3.968 3.960 0.005 0.000 0.236 213 G C 1.141 176.174 174.900 0.222 0.000 1.293 213 G CA -0.279 44.962 45.100 0.236 0.000 0.869 213 G HN 0.796 nan 8.290 nan 0.000 0.556 214 E N 1.790 122.084 120.200 0.156 0.000 2.338 214 E HA -0.119 4.234 4.350 0.005 0.000 0.197 214 E C 0.720 177.390 176.600 0.117 0.000 1.007 214 E CA 0.690 57.184 56.400 0.156 0.000 0.849 214 E CB -0.057 29.730 29.700 0.145 0.000 0.774 214 E HN 0.462 nan 8.360 nan 0.000 0.506 215 L N 2.863 124.150 121.223 0.107 0.000 2.426 215 L HA 0.278 4.621 4.340 0.005 0.000 0.255 215 L C -0.036 176.878 176.870 0.072 0.000 1.080 215 L CA -0.425 54.464 54.840 0.081 0.000 0.960 215 L CB 0.296 42.391 42.059 0.060 0.000 1.326 215 L HN 0.054 nan 8.230 nan 0.000 0.441 216 N N -0.456 118.308 118.700 0.106 0.000 2.214 216 N HA 0.027 4.771 4.740 0.005 0.000 0.214 216 N C 0.130 175.662 175.510 0.036 0.000 1.132 216 N CA -0.459 52.633 53.050 0.070 0.000 0.856 216 N CB 0.310 38.948 38.487 0.251 0.000 1.020 216 N HN 0.497 nan 8.380 nan 0.000 0.509 217 N N 0.160 118.893 118.700 0.055 0.000 3.343 217 N HA 0.647 5.390 4.740 0.005 0.000 0.330 217 N C -1.513 174.008 175.510 0.018 0.000 1.560 217 N CA -0.878 52.203 53.050 0.053 0.000 0.752 217 N CB 0.660 39.215 38.487 0.113 0.000 1.863 217 N HN 0.006 nan 8.380 nan 0.000 0.636 218 A N -1.512 121.329 122.820 0.036 0.000 2.354 218 A HA 0.501 4.824 4.320 0.005 0.000 0.321 218 A C 0.002 177.653 177.584 0.112 0.000 1.125 218 A CA -0.849 51.175 52.037 -0.022 0.000 0.799 218 A CB 0.368 19.352 19.000 -0.027 0.000 1.293 218 A HN 0.706 nan 8.150 nan 0.000 0.452 219 Y N -0.498 119.667 120.300 -0.224 0.000 2.333 219 Y HA -0.197 4.357 4.550 0.006 0.000 0.290 219 Y C 2.266 178.097 175.900 -0.116 0.000 1.144 219 Y CA 1.281 59.180 58.100 -0.335 0.000 1.228 219 Y CB 0.236 38.149 38.460 -0.911 0.000 0.985 219 Y HN 0.954 nan 8.280 nan 0.000 0.542 220 E N 0.810 121.060 120.200 0.084 0.000 2.204 220 E HA -0.216 4.137 4.350 0.005 0.000 0.195 220 E C 1.372 178.053 176.600 0.134 0.000 0.990 220 E CA 1.166 57.647 56.400 0.135 0.000 0.821 220 E CB -0.015 29.737 29.700 0.087 0.000 0.750 220 E HN 0.457 nan 8.360 nan 0.000 0.477 221 D N 0.015 120.493 120.400 0.130 0.000 2.178 221 D HA -0.164 4.480 4.640 0.005 0.000 0.201 221 D C 1.747 178.095 176.300 0.081 0.000 0.980 221 D CA 1.095 55.159 54.000 0.107 0.000 0.842 221 D CB -0.014 40.853 40.800 0.111 0.000 0.948 221 D HN 0.290 nan 8.370 nan 0.000 0.472 222 A N 0.841 123.741 122.820 0.134 0.000 2.015 222 A HA -0.185 4.138 4.320 0.005 0.000 0.219 222 A C 2.062 179.629 177.584 -0.027 0.000 1.163 222 A CA 1.028 53.044 52.037 -0.035 0.000 0.646 222 A CB -0.351 18.644 19.000 -0.009 0.000 0.806 222 A HN 0.215 nan 8.150 nan 0.000 0.448 223 Q N -0.872 118.982 119.800 0.089 0.000 2.311 223 Q HA 0.129 4.472 4.340 0.005 0.000 0.203 223 Q C 1.464 177.456 176.000 -0.014 0.000 0.954 223 Q CA 0.699 56.536 55.803 0.056 0.000 0.885 223 Q CB -0.037 28.770 28.738 0.114 0.000 0.963 223 Q HN 0.664 nan 8.270 nan 0.000 0.471 224 L N -0.214 121.006 121.223 -0.005 0.000 2.554 224 L HA 0.253 4.596 4.340 0.005 0.000 0.225 224 L C 0.833 177.689 176.870 -0.023 0.000 1.104 224 L CA -0.543 54.284 54.840 -0.023 0.000 0.866 224 L CB 0.136 42.225 42.059 0.051 0.000 1.047 224 L HN -0.023 nan 8.230 nan 0.000 0.468 225 A N 0.095 122.892 122.820 -0.039 0.000 2.425 225 A HA 0.030 4.354 4.320 0.005 0.000 0.242 225 A C 0.657 178.221 177.584 -0.033 0.000 1.077 225 A CA -0.133 51.878 52.037 -0.044 0.000 0.781 225 A CB 0.268 19.200 19.000 -0.113 0.000 1.020 225 A HN 0.139 nan 8.150 nan 0.000 0.494 226 D N -0.139 120.260 120.400 -0.002 0.000 2.183 226 D HA 0.100 4.744 4.640 0.005 0.000 0.205 226 D C 0.013 176.262 176.300 -0.085 0.000 0.962 226 D CA 1.434 55.429 54.000 -0.009 0.000 0.849 226 D CB 0.303 41.096 40.800 -0.012 0.000 0.978 226 D HN 0.229 nan 8.370 nan 0.000 0.488 227 V N 1.286 121.148 119.914 -0.087 0.000 2.760 227 V HA 0.374 4.497 4.120 0.005 0.000 0.309 227 V C -0.437 175.578 176.094 -0.133 0.000 1.077 227 V CA -0.709 61.531 62.300 -0.101 0.000 0.910 227 V CB 2.877 34.688 31.823 -0.020 0.000 1.008 227 V HN -0.117 nan 8.190 nan 0.000 0.424 228 I N 2.983 123.412 120.570 -0.235 0.000 2.406 228 I HA 0.429 4.602 4.170 0.005 0.000 0.290 228 I C -1.124 174.835 176.117 -0.264 0.000 0.999 228 I CA -0.271 60.822 61.300 -0.346 0.000 1.124 228 I CB 1.807 39.354 38.000 -0.755 0.000 1.289 228 I HN 0.557 nan 8.210 nan 0.000 0.441 229 W N 4.699 125.795 121.300 -0.340 0.000 2.417 229 W HA 0.458 5.123 4.660 0.007 0.000 0.317 229 W C 0.438 176.898 176.519 -0.099 0.000 1.121 229 W CA -0.515 56.717 57.345 -0.188 0.000 1.208 229 W CB 1.611 31.022 29.460 -0.081 0.000 1.253 229 W HN 0.268 nan 8.180 nan 0.000 0.533 230 S N 4.849 120.613 115.700 0.105 0.000 2.566 230 S HA 0.640 5.113 4.470 0.005 0.000 0.324 230 S C -0.971 173.869 174.600 0.399 0.000 1.081 230 S CA -0.523 57.850 58.200 0.289 0.000 1.105 230 S CB -0.291 63.057 63.200 0.247 0.000 0.981 230 S HN 0.355 nan 8.310 nan 0.000 0.464 231 I N 4.195 125.045 120.570 0.466 0.000 2.355 231 I HA 0.455 4.629 4.170 0.005 0.000 0.288 231 I C 1.036 177.410 176.117 0.428 0.000 0.999 231 I CA -0.518 61.087 61.300 0.508 0.000 1.163 231 I CB 1.360 39.706 38.000 0.577 0.000 1.316 231 I HN 0.928 nan 8.210 nan 0.000 0.454 232 G N 4.682 113.715 108.800 0.387 0.000 2.350 232 G HA2 -0.304 3.659 3.960 0.005 0.000 0.298 232 G HA3 -0.304 3.659 3.960 0.005 0.000 0.298 232 G C -0.298 174.763 174.900 0.269 0.000 1.037 232 G CA 0.221 45.515 45.100 0.324 0.000 1.074 232 G HN 0.846 nan 8.290 nan 0.000 0.511 233 N N -0.407 118.454 118.700 0.268 0.000 2.367 233 N HA 0.294 5.037 4.740 0.005 0.000 0.278 233 N C -1.209 174.397 175.510 0.160 0.000 1.117 233 N CA -0.646 52.525 53.050 0.201 0.000 0.867 233 N CB 1.198 39.837 38.487 0.253 0.000 1.649 233 N HN 0.198 nan 8.380 nan 0.000 0.479 234 N N 4.202 122.924 118.700 0.038 0.000 2.813 234 N HA 0.230 4.973 4.740 0.005 0.000 0.282 234 N C -1.920 173.491 175.510 -0.166 0.000 1.748 234 N CA -2.031 50.978 53.050 -0.068 0.000 0.860 234 N CB 1.002 39.429 38.487 -0.101 0.000 1.204 234 N HN 0.425 nan 8.380 nan 0.000 0.490 235 P HA -0.227 nan 4.420 nan 0.000 0.218 235 P C 1.117 178.056 177.300 -0.602 0.000 1.146 235 P CA 0.989 63.817 63.100 -0.453 0.000 0.813 235 P CB -0.002 31.303 31.700 -0.659 0.000 0.778 236 Y N 1.659 121.349 120.300 -1.017 0.000 2.224 236 Y HA -0.143 4.411 4.550 0.006 0.000 0.289 236 Y C 2.240 177.945 175.900 -0.325 0.000 1.146 236 Y CA 1.696 59.313 58.100 -0.804 0.000 1.182 236 Y CB -0.331 37.696 38.460 -0.722 0.000 0.983 236 Y HN -0.044 nan 8.280 nan 0.000 0.524 237 E N -0.938 119.109 120.200 -0.254 0.000 2.250 237 E HA -0.070 4.284 4.350 0.005 0.000 0.192 237 E C 1.980 178.491 176.600 -0.149 0.000 0.986 237 E CA 1.027 57.298 56.400 -0.215 0.000 0.849 237 E CB 0.076 29.729 29.700 -0.078 0.000 0.797 237 E HN 0.533 nan 8.360 nan 0.000 0.482 238 S N -0.460 115.163 115.700 -0.129 0.000 2.505 238 S HA 0.097 4.571 4.470 0.005 0.000 0.216 238 S C 0.943 175.536 174.600 -0.013 0.000 1.018 238 S CA -0.263 57.914 58.200 -0.038 0.000 0.911 238 S CB 0.442 63.627 63.200 -0.025 0.000 0.818 238 S HN -0.050 nan 8.310 nan 0.000 0.497 239 Q N 1.186 120.938 119.800 -0.081 0.000 2.632 239 Q HA 0.403 4.747 4.340 0.005 0.000 0.352 239 Q C 0.504 176.464 176.000 -0.066 0.000 0.821 239 Q CA -0.070 55.721 55.803 -0.019 0.000 1.060 239 Q CB 0.504 29.251 28.738 0.016 0.000 1.429 239 Q HN 0.272 nan 8.270 nan 0.000 0.391 240 T N -0.188 114.304 114.554 -0.102 0.000 2.592 240 T HA -0.209 4.144 4.350 0.005 0.000 0.267 240 T C 1.361 176.055 174.700 -0.010 0.000 1.060 240 T CA 1.995 64.005 62.100 -0.150 0.000 1.167 240 T CB -0.080 68.647 68.868 -0.234 0.000 0.863 240 T HN 0.381 nan 8.240 nan 0.000 0.431 241 N N -0.031 118.690 118.700 0.035 0.000 2.463 241 N HA 0.025 4.768 4.740 0.005 0.000 0.181 241 N C 1.381 176.985 175.510 0.156 0.000 1.078 241 N CA 0.232 53.328 53.050 0.077 0.000 0.902 241 N CB -0.268 38.261 38.487 0.070 0.000 0.970 241 N HN 0.421 nan 8.380 nan 0.000 0.451 242 Y N 0.695 120.960 120.300 -0.058 0.000 2.184 242 Y HA -0.067 4.487 4.550 0.006 0.000 0.290 242 Y C 2.011 177.828 175.900 -0.138 0.000 1.129 242 Y CA 0.715 58.730 58.100 -0.142 0.000 1.144 242 Y CB -0.960 37.219 38.460 -0.468 0.000 0.995 242 Y HN -0.032 nan 8.280 nan 0.000 0.513 243 F N 0.404 120.065 119.950 -0.482 0.000 2.102 243 F HA -0.226 4.304 4.527 0.005 0.000 0.298 243 F C 2.080 177.784 175.800 -0.160 0.000 1.105 243 F CA 1.930 59.526 58.000 -0.674 0.000 1.239 243 F CB -0.580 38.087 39.000 -0.556 0.000 0.991 243 F HN 0.027 nan 8.300 nan 0.000 0.474 244 L N -0.172 121.086 121.223 0.059 0.000 2.093 244 L HA -0.195 4.148 4.340 0.005 0.000 0.208 244 L C 1.906 178.733 176.870 -0.072 0.000 1.085 244 L CA 1.668 56.508 54.840 -0.001 0.000 0.755 244 L CB -0.742 41.363 42.059 0.078 0.000 0.904 244 L HN 0.195 nan 8.230 nan 0.000 0.435 245 N N -1.934 116.724 118.700 -0.071 0.000 2.373 245 N HA -0.071 4.672 4.740 0.005 0.000 0.181 245 N C 1.573 176.806 175.510 -0.462 0.000 1.082 245 N CA 0.642 53.541 53.050 -0.252 0.000 0.885 245 N CB 0.320 38.632 38.487 -0.292 0.000 0.977 245 N HN 0.328 nan 8.380 nan 0.000 0.462 246 H N -2.936 116.213 119.070 0.132 0.000 2.573 246 H HA 0.106 4.665 4.556 0.005 0.000 0.236 246 H C 0.788 176.218 175.328 0.170 0.000 0.907 246 H CA 0.148 56.318 56.048 0.203 0.000 1.058 246 H CB -0.085 29.927 29.762 0.418 0.000 1.417 246 H HN 0.160 nan 8.280 nan 0.000 0.425 247 W N 2.123 123.337 121.300 -0.143 0.000 2.408 247 W HA 0.043 4.706 4.660 0.005 0.000 0.311 247 W C 2.434 178.757 176.519 -0.325 0.000 1.190 247 W CA 0.418 57.593 57.345 -0.282 0.000 1.321 247 W CB -0.998 28.198 29.460 -0.440 0.000 1.143 247 W HN 0.013 nan 8.180 nan 0.000 0.501 248 L N -0.102 121.007 121.223 -0.190 0.000 2.042 248 L HA -0.173 4.170 4.340 0.005 0.000 0.210 248 L C -0.329 176.471 176.870 -0.117 0.000 1.076 248 L CA 1.395 56.104 54.840 -0.218 0.000 0.749 248 L CB -2.274 39.619 42.059 -0.278 0.000 0.893 248 L HN -0.079 nan 8.230 nan 0.000 0.432 249 P HA -0.125 nan 4.420 nan 0.000 0.218 249 P C 1.175 178.437 177.300 -0.062 0.000 1.149 249 P CA 1.139 64.197 63.100 -0.069 0.000 0.817 249 P CB -0.011 31.651 31.700 -0.064 0.000 0.785 250 N N -0.213 118.453 118.700 -0.056 0.000 2.080 250 N HA -0.105 4.638 4.740 0.005 0.000 0.189 250 N C 1.640 177.100 175.510 -0.083 0.000 1.036 250 N CA 1.322 54.330 53.050 -0.070 0.000 0.846 250 N CB -0.948 37.488 38.487 -0.085 0.000 1.015 250 N HN 0.046 nan 8.380 nan 0.000 0.423 251 L N 0.517 121.687 121.223 -0.088 0.000 2.127 251 L HA -0.152 4.191 4.340 0.005 0.000 0.211 251 L C 2.040 178.864 176.870 -0.077 0.000 1.089 251 L CA 1.123 55.912 54.840 -0.085 0.000 0.757 251 L CB -0.412 41.602 42.059 -0.075 0.000 0.899 251 L HN 0.296 nan 8.230 nan 0.000 0.434 252 Q N -0.316 119.440 119.800 -0.074 0.000 2.472 252 Q HA 0.038 4.381 4.340 0.005 0.000 0.208 252 Q C 1.451 177.414 176.000 -0.061 0.000 0.958 252 Q CA 0.606 56.369 55.803 -0.066 0.000 0.932 252 Q CB 0.225 28.925 28.738 -0.063 0.000 1.007 252 Q HN 0.621 nan 8.270 nan 0.000 0.508 253 G N 0.261 109.024 108.800 -0.063 0.000 2.157 253 G HA2 -0.338 3.625 3.960 0.005 0.000 0.248 253 G HA3 -0.338 3.625 3.960 0.005 0.000 0.248 253 G C 0.732 175.599 174.900 -0.054 0.000 0.979 253 G CA 0.194 45.259 45.100 -0.057 0.000 0.650 253 G HN 0.464 nan 8.290 nan 0.000 0.529 254 A N -0.051 122.736 122.820 -0.055 0.000 2.206 254 A HA 0.445 4.769 4.320 0.005 0.000 0.211 254 A C 2.197 179.748 177.584 -0.054 0.000 1.158 254 A CA 2.374 54.380 52.037 -0.051 0.000 0.761 254 A CB -0.321 18.649 19.000 -0.051 0.000 0.801 254 A HN 1.501 nan 8.150 nan 0.000 0.473 255 T N -5.713 108.803 114.554 -0.063 0.000 3.044 255 T HA 0.071 4.425 4.350 0.005 0.000 0.260 255 T C 1.357 175.990 174.700 -0.111 0.000 1.019 255 T CA 0.865 62.921 62.100 -0.074 0.000 0.921 255 T CB -0.206 68.624 68.868 -0.063 0.000 1.053 255 T HN 0.128 nan 8.240 nan 0.000 0.533 256 T N 2.948 117.443 114.554 -0.097 0.000 2.720 256 T HA -0.154 4.199 4.350 0.005 0.000 0.268 256 T C 2.359 176.988 174.700 -0.118 0.000 1.037 256 T CA 1.964 63.998 62.100 -0.110 0.000 1.144 256 T CB -0.545 68.293 68.868 -0.051 0.000 0.864 256 T HN 0.740 nan 8.240 nan 0.000 0.444 257 S N 1.639 117.289 115.700 -0.083 0.000 2.402 257 S HA -0.060 4.413 4.470 0.005 0.000 0.229 257 S C 1.909 176.448 174.600 -0.102 0.000 1.021 257 S CA 0.773 58.930 58.200 -0.071 0.000 0.974 257 S CB -0.309 62.861 63.200 -0.050 0.000 0.800 257 S HN 0.463 nan 8.310 nan 0.000 0.484 258 K N 1.488 121.816 120.400 -0.120 0.000 2.026 258 K HA -0.021 4.302 4.320 0.005 0.000 0.208 258 K C 2.352 178.827 176.600 -0.208 0.000 1.048 258 K CA 1.491 57.696 56.287 -0.137 0.000 0.929 258 K CB -0.154 32.281 32.500 -0.109 0.000 0.713 258 K HN 0.397 nan 8.250 nan 0.000 0.439 259 K N 1.000 121.207 120.400 -0.322 0.000 2.026 259 K HA -0.145 4.179 4.320 0.005 0.000 0.208 259 K C 2.022 178.366 176.600 -0.427 0.000 1.048 259 K CA 1.451 57.379 56.287 -0.598 0.000 0.929 259 K CB -0.040 31.665 32.500 -1.326 0.000 0.713 259 K HN 0.069 nan 8.250 nan 0.000 0.439 260 K N 0.914 121.173 120.400 -0.234 0.000 2.097 260 K HA -0.191 4.132 4.320 0.005 0.000 0.206 260 K C 2.207 178.823 176.600 0.028 0.000 1.049 260 K CA 1.323 57.651 56.287 0.068 0.000 0.933 260 K CB 0.007 32.560 32.500 0.089 0.000 0.717 260 K HN 0.270 nan 8.250 nan 0.000 0.442 261 E N 1.310 121.471 120.200 -0.066 0.000 2.106 261 E HA -0.176 4.177 4.350 0.005 0.000 0.192 261 E C 2.025 178.533 176.600 -0.154 0.000 0.984 261 E CA 0.903 57.252 56.400 -0.084 0.000 0.806 261 E CB 0.163 29.808 29.700 -0.092 0.000 0.750 261 E HN 0.170 nan 8.360 nan 0.000 0.458 262 R N -0.972 119.359 120.500 -0.282 0.000 2.092 262 R HA -0.031 4.312 4.340 0.005 0.000 0.231 262 R C 0.037 175.889 176.300 -0.747 0.000 1.119 262 R CA 0.793 56.527 56.100 -0.609 0.000 0.970 262 R CB 0.129 29.858 30.300 -0.950 0.000 0.864 262 R HN 0.099 nan 8.270 nan 0.000 0.440 263 F N -0.307 119.699 119.950 0.094 0.000 2.686 263 F HA 0.333 4.863 4.527 0.005 0.000 0.365 263 F C -1.888 174.020 175.800 0.181 0.000 1.196 263 F CA -2.721 55.383 58.000 0.172 0.000 1.198 263 F CB 1.671 40.876 39.000 0.342 0.000 1.454 263 F HN -0.175 nan 8.300 nan 0.000 0.539 264 P HA -0.110 nan 4.420 nan 0.000 0.221 264 P C 0.536 177.911 177.300 0.126 0.000 1.145 264 P CA 1.301 64.484 63.100 0.138 0.000 0.795 264 P CB 0.284 32.026 31.700 0.071 0.000 0.775 265 N N -0.401 118.375 118.700 0.126 0.000 2.328 265 N HA 0.089 4.832 4.740 0.005 0.000 0.247 265 N C -0.245 175.268 175.510 0.006 0.000 1.165 265 N CA 0.117 53.202 53.050 0.058 0.000 0.873 265 N CB 0.430 38.944 38.487 0.045 0.000 1.125 265 N HN 0.305 nan 8.380 nan 0.000 0.513 266 E N 0.420 120.621 120.200 0.001 0.000 2.234 266 E HA 0.287 4.641 4.350 0.005 0.000 0.266 266 E C -1.016 175.302 176.600 -0.471 0.000 0.877 266 E CA -0.585 55.665 56.400 -0.249 0.000 0.758 266 E CB 1.554 31.062 29.700 -0.321 0.000 1.170 266 E HN 0.119 nan 8.360 nan 0.000 0.415 267 N N 2.583 120.980 118.700 -0.506 0.000 2.525 267 N HA 0.251 4.994 4.740 0.005 0.000 0.271 267 N C -1.288 173.727 175.510 -0.825 0.000 1.194 267 N CA 0.013 52.804 53.050 -0.431 0.000 0.964 267 N CB 0.635 38.958 38.487 -0.272 0.000 1.126 267 N HN 0.226 nan 8.380 nan 0.000 0.452 268 F N 1.791 121.713 119.950 -0.048 0.000 2.646 268 F HA 0.345 4.875 4.527 0.005 0.000 0.364 268 F C -1.816 173.937 175.800 -0.079 0.000 1.137 268 F CA -1.738 56.225 58.000 -0.061 0.000 1.085 268 F CB 0.993 39.974 39.000 -0.032 0.000 1.331 268 F HN 0.274 nan 8.300 nan 0.000 0.472 269 P HA 0.144 nan 4.420 nan 0.000 0.274 269 P C -0.699 176.567 177.300 -0.058 0.000 1.256 269 P CA -0.523 62.538 63.100 -0.065 0.000 0.795 269 P CB 0.871 32.488 31.700 -0.138 0.000 1.038 270 Q N -0.264 119.476 119.800 -0.100 0.000 2.333 270 Q HA 0.270 4.613 4.340 0.005 0.000 0.299 270 Q C 0.327 176.233 176.000 -0.157 0.000 1.067 270 Q CA -0.064 55.672 55.803 -0.113 0.000 0.943 270 Q CB 0.221 28.880 28.738 -0.132 0.000 1.233 270 Q HN 0.537 nan 8.270 nan 0.000 0.401 271 A N 3.658 126.400 122.820 -0.130 0.000 2.445 271 A HA 0.308 4.631 4.320 0.005 0.000 0.242 271 A C -0.091 177.369 177.584 -0.207 0.000 1.075 271 A CA 0.097 52.044 52.037 -0.151 0.000 0.777 271 A CB 0.476 19.402 19.000 -0.122 0.000 1.013 271 A HN 0.728 nan 8.150 nan 0.000 0.493 272 R N 0.023 120.383 120.500 -0.234 0.000 2.888 272 R HA 0.752 5.095 4.340 0.005 0.000 0.266 272 R C -1.264 174.953 176.300 -0.139 0.000 1.020 272 R CA -0.660 55.290 56.100 -0.250 0.000 0.963 272 R CB 2.200 32.160 30.300 -0.566 0.000 1.197 272 R HN 0.725 nan 8.270 nan 0.000 0.481 273 I N 1.712 122.251 120.570 -0.051 0.000 2.582 273 I HA 0.487 4.660 4.170 0.005 0.000 0.292 273 I C -1.449 174.561 176.117 -0.177 0.000 1.066 273 I CA -0.820 60.382 61.300 -0.163 0.000 1.053 273 I CB 1.765 39.685 38.000 -0.133 0.000 1.241 273 I HN 0.513 nan 8.210 nan 0.000 0.421 274 I N 7.149 127.426 120.570 -0.489 0.000 2.447 274 I HA 0.356 4.530 4.170 0.005 0.000 0.287 274 I C -1.303 174.516 176.117 -0.496 0.000 1.023 274 I CA -0.410 60.550 61.300 -0.566 0.000 1.083 274 I CB 1.705 38.944 38.000 -1.270 0.000 1.245 274 I HN 0.363 nan 8.210 nan 0.000 0.434 275 F N 5.607 125.533 119.950 -0.041 0.000 2.427 275 F HA 0.440 4.970 4.527 0.005 0.000 0.346 275 F C 0.108 176.026 175.800 0.195 0.000 1.120 275 F CA -0.825 57.245 58.000 0.116 0.000 1.033 275 F CB 1.714 40.764 39.000 0.082 0.000 1.126 275 F HN 0.011 nan 8.300 nan 0.000 0.462 276 V N 3.408 123.585 119.914 0.437 0.000 2.277 276 V HA 0.364 4.487 4.120 0.005 0.000 0.269 276 V C -0.887 175.438 176.094 0.386 0.000 1.036 276 V CA -0.276 62.255 62.300 0.385 0.000 0.821 276 V CB 0.861 32.954 31.823 0.451 0.000 1.052 276 V HN 0.672 nan 8.190 nan 0.000 0.462 277 D N 5.834 126.461 120.400 0.378 0.000 2.931 277 D HA 0.335 4.978 4.640 0.005 0.000 0.215 277 D C -2.346 174.170 176.300 0.360 0.000 1.297 277 D CA -1.381 52.835 54.000 0.361 0.000 0.892 277 D CB 3.383 44.377 40.800 0.323 0.000 1.642 277 D HN 0.071 nan 8.370 nan 0.000 0.560 278 P HA -0.073 nan 4.420 nan 0.000 0.219 278 P C 0.118 177.605 177.300 0.313 0.000 1.146 278 P CA 0.838 64.068 63.100 0.217 0.000 0.808 278 P CB 0.295 32.070 31.700 0.125 0.000 0.779 279 R N 0.634 121.354 120.500 0.366 0.000 2.474 279 R HA 0.227 4.571 4.340 0.005 0.000 0.295 279 R C -0.192 176.209 176.300 0.168 0.000 0.980 279 R CA -0.596 55.662 56.100 0.263 0.000 0.934 279 R CB 0.716 31.110 30.300 0.157 0.000 1.101 279 R HN -0.104 nan 8.270 nan 0.000 0.469 280 E N 3.133 123.408 120.200 0.126 0.000 2.105 280 E HA 0.082 4.435 4.350 0.005 0.000 0.285 280 E C -0.764 175.717 176.600 -0.198 0.000 1.055 280 E CA -0.330 56.024 56.400 -0.076 0.000 0.843 280 E CB 0.763 30.491 29.700 0.047 0.000 1.067 280 E HN 0.693 nan 8.360 nan 0.000 0.398 281 T N 1.159 115.508 114.554 -0.340 0.000 2.922 281 T HA 0.365 4.718 4.350 0.005 0.000 0.281 281 T C -1.999 172.513 174.700 -0.315 0.000 1.005 281 T CA -1.871 60.034 62.100 -0.324 0.000 0.982 281 T CB 1.388 70.048 68.868 -0.347 0.000 1.158 281 T HN 0.134 nan 8.240 nan 0.000 0.566 282 P HA -0.033 nan 4.420 nan 0.000 0.218 282 P C 1.731 178.843 177.300 -0.314 0.000 1.148 282 P CA 0.983 63.947 63.100 -0.227 0.000 0.822 282 P CB -0.099 31.521 31.700 -0.134 0.000 0.784 283 S N -0.834 114.641 115.700 -0.374 0.000 2.368 283 S HA -0.117 4.356 4.470 0.005 0.000 0.225 283 S C 1.983 176.283 174.600 -0.500 0.000 1.030 283 S CA 1.239 59.172 58.200 -0.445 0.000 0.999 283 S CB -1.207 61.723 63.200 -0.450 0.000 0.844 283 S HN -0.033 nan 8.310 nan 0.000 0.459 284 V N 2.047 121.453 119.914 -0.847 0.000 2.295 284 V HA -0.216 3.907 4.120 0.005 0.000 0.246 284 V C 2.658 178.583 176.094 -0.283 0.000 1.049 284 V CA 1.735 63.544 62.300 -0.817 0.000 1.024 284 V CB -1.247 30.074 31.823 -0.837 0.000 0.648 284 V HN 0.544 nan 8.190 nan 0.000 0.447 285 A N -0.148 122.539 122.820 -0.222 0.000 1.908 285 A HA -0.195 4.128 4.320 0.005 0.000 0.218 285 A C 2.175 179.770 177.584 0.019 0.000 1.181 285 A CA 2.078 54.073 52.037 -0.070 0.000 0.627 285 A CB -0.559 18.400 19.000 -0.068 0.000 0.818 285 A HN 0.524 nan 8.150 nan 0.000 0.445 286 I N -0.433 120.119 120.570 -0.030 0.000 2.252 286 I HA -0.224 3.950 4.170 0.005 0.000 0.245 286 I C 2.936 179.153 176.117 0.168 0.000 1.102 286 I CA 0.927 62.246 61.300 0.033 0.000 1.385 286 I CB -0.286 37.672 38.000 -0.070 0.000 1.064 286 I HN 0.344 nan 8.210 nan 0.000 0.414 287 A N 0.865 123.832 122.820 0.244 0.000 1.933 287 A HA -0.198 4.126 4.320 0.005 0.000 0.218 287 A C 2.384 180.079 177.584 0.185 0.000 1.175 287 A CA 1.489 53.704 52.037 0.296 0.000 0.628 287 A CB -0.524 18.799 19.000 0.539 0.000 0.814 287 A HN 0.314 nan 8.150 nan 0.000 0.444 288 R N -1.908 118.685 120.500 0.156 0.000 2.092 288 R HA -0.111 4.232 4.340 0.005 0.000 0.231 288 R C 2.215 178.580 176.300 0.109 0.000 1.119 288 R CA 1.423 57.596 56.100 0.121 0.000 0.970 288 R CB -0.472 29.889 30.300 0.103 0.000 0.864 288 R HN 0.801 nan 8.270 nan 0.000 0.440 289 H N 0.319 119.427 119.070 0.063 0.000 2.353 289 H HA -0.076 4.483 4.556 0.005 0.000 0.300 289 H C 1.738 177.087 175.328 0.034 0.000 1.090 289 H CA 1.790 57.879 56.048 0.068 0.000 1.327 289 H CB 0.096 29.923 29.762 0.108 0.000 1.383 289 H HN -0.078 nan 8.280 nan 0.000 0.508 290 V N -0.139 119.788 119.914 0.020 0.000 2.346 290 V HA -0.052 4.072 4.120 0.005 0.000 0.244 290 V C 2.449 178.505 176.094 -0.064 0.000 1.037 290 V CA 1.577 63.849 62.300 -0.046 0.000 1.029 290 V CB -0.685 31.138 31.823 0.001 0.000 0.663 290 V HN 0.644 nan 8.190 nan 0.000 0.454 291 A N -1.185 121.623 122.820 -0.019 0.000 2.220 291 A HA 0.541 4.864 4.320 0.005 0.000 0.211 291 A C 1.250 178.817 177.584 -0.028 0.000 1.176 291 A CA 0.879 52.898 52.037 -0.029 0.000 0.834 291 A CB -0.215 18.780 19.000 -0.009 0.000 0.868 291 A HN 1.208 nan 8.150 nan 0.000 0.488 292 G N -0.520 108.273 108.800 -0.013 0.000 2.705 292 G HA2 -0.171 3.793 3.960 0.005 0.000 0.686 292 G HA3 -0.171 3.793 3.960 0.005 0.000 0.686 292 G C 0.066 174.992 174.900 0.043 0.000 1.285 292 G CA -0.144 44.956 45.100 -0.000 0.000 0.800 292 G HN 0.152 nan 8.290 nan 0.000 0.611 293 N N 0.335 119.068 118.700 0.055 0.000 2.205 293 N HA -0.079 4.664 4.740 0.005 0.000 0.186 293 N C 1.559 177.140 175.510 0.119 0.000 1.015 293 N CA 1.683 54.785 53.050 0.087 0.000 0.862 293 N CB -0.120 38.411 38.487 0.073 0.000 0.986 293 N HN 0.614 nan 8.380 nan 0.000 0.429 294 D N -0.071 120.386 120.400 0.094 0.000 2.363 294 D HA -0.003 4.641 4.640 0.005 0.000 0.220 294 D C 1.049 177.435 176.300 0.144 0.000 0.994 294 D CA 0.466 54.546 54.000 0.134 0.000 0.890 294 D CB 0.073 40.918 40.800 0.075 0.000 0.906 294 D HN 0.264 nan 8.370 nan 0.000 0.530 295 R N -0.194 120.342 120.500 0.060 0.000 2.468 295 R HA 0.225 4.568 4.340 0.005 0.000 0.280 295 R C -0.474 175.894 176.300 0.113 0.000 0.963 295 R CA -0.026 56.013 56.100 -0.101 0.000 1.083 295 R CB 1.274 31.479 30.300 -0.158 0.000 1.200 295 R HN -0.099 nan 8.270 nan 0.000 0.541 296 V N 1.678 121.776 119.914 0.306 0.000 2.531 296 V HA 0.380 4.503 4.120 0.005 0.000 0.301 296 V C -0.558 175.725 176.094 0.315 0.000 1.034 296 V CA -0.758 61.739 62.300 0.327 0.000 0.865 296 V CB 2.406 34.390 31.823 0.268 0.000 0.995 296 V HN 0.117 nan 8.190 nan 0.000 0.424 297 L N 4.379 125.723 121.223 0.203 0.000 2.319 297 L HA 0.508 4.851 4.340 0.005 0.000 0.281 297 L C -0.208 176.741 176.870 0.133 0.000 1.005 297 L CA -0.425 54.414 54.840 -0.002 0.000 0.828 297 L CB 1.316 43.160 42.059 -0.358 0.000 1.227 297 L HN 0.733 nan 8.230 nan 0.000 0.415 298 H N 5.669 124.769 119.070 0.051 0.000 2.741 298 H HA 0.336 4.895 4.556 0.005 0.000 0.282 298 H C -0.794 174.548 175.328 0.024 0.000 1.122 298 H CA -0.886 55.216 56.048 0.091 0.000 1.293 298 H CB 0.820 30.622 29.762 0.067 0.000 1.415 298 H HN 0.503 nan 8.280 nan 0.000 0.472 299 L N 5.621 126.889 121.223 0.075 0.000 2.356 299 L HA 0.221 4.564 4.340 0.005 0.000 0.282 299 L C 0.668 177.454 176.870 -0.140 0.000 1.132 299 L CA -0.466 54.332 54.840 -0.070 0.000 0.923 299 L CB 0.614 42.666 42.059 -0.012 0.000 1.278 299 L HN 0.664 nan 8.230 nan 0.000 0.436 300 A N 5.780 128.361 122.820 -0.399 0.000 3.091 300 A HA 0.341 4.665 4.320 0.005 0.000 0.264 300 A C 0.652 178.150 177.584 -0.144 0.000 1.673 300 A CA -0.572 51.227 52.037 -0.397 0.000 1.362 300 A CB -0.813 17.849 19.000 -0.563 0.000 1.137 300 A HN 0.760 nan 8.150 nan 0.000 0.617 301 I N -2.302 118.225 120.570 -0.071 0.000 3.045 301 I HA 0.163 4.336 4.170 0.005 0.000 0.288 301 I C 0.138 176.208 176.117 -0.078 0.000 1.238 301 I CA -0.486 60.770 61.300 -0.074 0.000 1.396 301 I CB 0.506 38.465 38.000 -0.068 0.000 1.355 301 I HN 0.255 nan 8.210 nan 0.000 0.601 302 E N 4.264 124.410 120.200 -0.090 0.000 2.392 302 E HA 0.212 4.565 4.350 0.005 0.000 0.264 302 E C -2.201 174.321 176.600 -0.131 0.000 1.024 302 E CA -1.595 54.745 56.400 -0.099 0.000 0.903 302 E CB 0.039 29.708 29.700 -0.052 0.000 0.963 302 E HN 0.456 nan 8.360 nan 0.000 0.432 303 P HA -0.054 nan 4.420 nan 0.000 0.263 303 P C 0.621 177.954 177.300 0.055 0.000 1.175 303 P CA 1.155 64.037 63.100 -0.363 0.000 0.761 303 P CB 0.361 31.408 31.700 -1.090 0.000 0.794 304 G N 2.346 111.262 108.800 0.194 0.000 2.162 304 G HA2 -0.282 3.681 3.960 0.005 0.000 0.260 304 G HA3 -0.282 3.681 3.960 0.005 0.000 0.260 304 G C 0.685 175.727 174.900 0.237 0.000 0.976 304 G CA 0.637 45.896 45.100 0.266 0.000 0.655 304 G HN 0.655 nan 8.290 nan 0.000 0.533 305 T N -2.600 111.995 114.554 0.068 0.000 3.163 305 T HA 0.334 4.687 4.350 0.005 0.000 0.252 305 T C 1.333 175.861 174.700 -0.287 0.000 1.056 305 T CA 0.932 62.912 62.100 -0.200 0.000 0.947 305 T CB 0.158 68.866 68.868 -0.267 0.000 1.016 305 T HN 0.201 nan 8.240 nan 0.000 0.554 306 D N 2.065 122.413 120.400 -0.086 0.000 2.149 306 D HA -0.129 4.514 4.640 0.005 0.000 0.194 306 D C 2.013 178.246 176.300 -0.112 0.000 1.001 306 D CA 1.798 55.740 54.000 -0.097 0.000 0.849 306 D CB -0.449 40.451 40.800 0.167 0.000 0.939 306 D HN 0.347 nan 8.370 nan 0.000 0.449 307 T N -0.116 114.443 114.554 0.009 0.000 2.746 307 T HA -0.161 4.192 4.350 0.005 0.000 0.267 307 T C 2.031 176.656 174.700 -0.127 0.000 1.039 307 T CA 1.340 63.488 62.100 0.080 0.000 1.142 307 T CB -0.389 68.642 68.868 0.271 0.000 0.866 307 T HN 0.247 nan 8.240 nan 0.000 0.444 308 A N 1.195 123.701 122.820 -0.524 0.000 1.898 308 A HA 0.004 4.327 4.320 0.005 0.000 0.216 308 A C 2.226 179.579 177.584 -0.385 0.000 1.181 308 A CA 1.284 52.935 52.037 -0.644 0.000 0.620 308 A CB -0.826 17.459 19.000 -1.193 0.000 0.819 308 A HN 0.414 nan 8.150 nan 0.000 0.442 309 L N -1.146 119.820 121.223 -0.428 0.000 1.971 309 L HA -0.153 4.190 4.340 0.005 0.000 0.215 309 L C 2.179 178.846 176.870 -0.339 0.000 1.072 309 L CA 2.241 56.828 54.840 -0.421 0.000 0.758 309 L CB -0.821 40.865 42.059 -0.622 0.000 0.889 309 L HN 0.341 nan 8.230 nan 0.000 0.433 310 F N -0.038 119.912 119.950 -0.001 0.000 2.234 310 F HA -0.119 4.411 4.527 0.006 0.000 0.299 310 F C 2.346 178.182 175.800 0.059 0.000 1.087 310 F CA 1.014 59.025 58.000 0.019 0.000 1.340 310 F CB -1.160 37.819 39.000 -0.035 0.000 1.031 310 F HN 0.239 nan 8.300 nan 0.000 0.500 311 N N 0.225 119.016 118.700 0.150 0.000 2.188 311 N HA -0.087 4.656 4.740 0.005 0.000 0.184 311 N C 2.302 177.912 175.510 0.166 0.000 1.018 311 N CA 1.287 54.444 53.050 0.178 0.000 0.858 311 N CB -1.003 37.546 38.487 0.103 0.000 0.989 311 N HN 0.325 nan 8.380 nan 0.000 0.426 312 G N 0.906 109.743 108.800 0.062 0.000 2.418 312 G HA2 -0.142 3.821 3.960 0.005 0.000 0.217 312 G HA3 -0.142 3.821 3.960 0.005 0.000 0.217 312 G C 1.629 176.606 174.900 0.128 0.000 1.158 312 G CA 0.365 45.492 45.100 0.045 0.000 0.771 312 G HN 0.229 nan 8.290 nan 0.000 0.545 313 L N -0.845 120.489 121.223 0.185 0.000 2.072 313 L HA 0.101 4.444 4.340 0.005 0.000 0.205 313 L C 2.525 179.567 176.870 0.286 0.000 1.079 313 L CA 0.784 55.798 54.840 0.289 0.000 0.752 313 L CB -0.394 41.880 42.059 0.358 0.000 0.906 313 L HN 0.286 nan 8.230 nan 0.000 0.436 314 F N 0.669 120.681 119.950 0.103 0.000 2.102 314 F HA -0.259 4.271 4.527 0.005 0.000 0.298 314 F C 2.475 178.303 175.800 0.047 0.000 1.105 314 F CA 1.914 59.946 58.000 0.054 0.000 1.239 314 F CB -0.141 38.895 39.000 0.059 0.000 0.991 314 F HN -0.072 nan 8.300 nan 0.000 0.474 315 T N -0.316 114.226 114.554 -0.020 0.000 2.684 315 T HA -0.288 4.065 4.350 0.005 0.000 0.267 315 T C 1.553 176.192 174.700 -0.102 0.000 1.036 315 T CA 1.887 63.893 62.100 -0.157 0.000 1.148 315 T CB -0.786 68.071 68.868 -0.018 0.000 0.863 315 T HN 0.545 nan 8.240 nan 0.000 0.436 316 Y N 1.990 122.223 120.300 -0.112 0.000 2.145 316 Y HA -0.190 4.363 4.550 0.006 0.000 0.286 316 Y C 2.450 178.241 175.900 -0.182 0.000 1.145 316 Y CA 1.242 59.267 58.100 -0.125 0.000 1.148 316 Y CB -0.202 38.232 38.460 -0.043 0.000 0.981 316 Y HN 0.112 nan 8.280 nan 0.000 0.507 317 V N -2.882 116.945 119.914 -0.146 0.000 2.515 317 V HA -0.177 3.946 4.120 0.005 0.000 0.250 317 V C 1.935 177.876 176.094 -0.256 0.000 1.058 317 V CA 1.578 63.762 62.300 -0.193 0.000 1.064 317 V CB -1.257 30.591 31.823 0.041 0.000 0.675 317 V HN 0.277 nan 8.190 nan 0.000 0.461 318 V N 0.682 120.429 119.914 -0.279 0.000 2.358 318 V HA -0.200 3.923 4.120 0.005 0.000 0.246 318 V C 2.768 178.713 176.094 -0.248 0.000 1.047 318 V CA 2.389 64.548 62.300 -0.235 0.000 1.035 318 V CB -0.718 30.884 31.823 -0.369 0.000 0.658 318 V HN 0.585 nan 8.190 nan 0.000 0.452 319 E N -0.351 119.667 120.200 -0.303 0.000 2.118 319 E HA -0.233 4.120 4.350 0.005 0.000 0.195 319 E C 2.255 178.619 176.600 -0.395 0.000 0.992 319 E CA 1.111 57.339 56.400 -0.288 0.000 0.804 319 E CB -0.087 29.471 29.700 -0.237 0.000 0.741 319 E HN 0.532 nan 8.360 nan 0.000 0.458 320 Q N -0.904 118.492 119.800 -0.673 0.000 2.432 320 Q HA 0.013 4.356 4.340 0.005 0.000 0.205 320 Q C 1.256 176.893 176.000 -0.605 0.000 0.945 320 Q CA 0.901 56.149 55.803 -0.925 0.000 0.924 320 Q CB 0.856 28.365 28.738 -2.047 0.000 1.016 320 Q HN 0.435 nan 8.270 nan 0.000 0.503 321 G N 0.292 108.894 108.800 -0.330 0.000 2.147 321 G HA2 -0.179 3.784 3.960 0.005 0.000 0.244 321 G HA3 -0.179 3.784 3.960 0.005 0.000 0.244 321 G C -0.386 174.599 174.900 0.142 0.000 1.005 321 G CA 0.054 45.109 45.100 -0.075 0.000 0.713 321 G HN 0.259 nan 8.290 nan 0.000 0.515 322 W N 1.183 122.456 121.300 -0.044 0.000 1.694 322 W HA 0.604 5.267 4.660 0.005 0.000 0.425 322 W C 1.013 177.554 176.519 0.037 0.000 0.615 322 W CA -0.915 56.442 57.345 0.020 0.000 2.237 322 W CB -1.240 28.257 29.460 0.062 0.000 1.478 322 W HN 0.524 nan 8.180 nan 0.000 0.427 323 I N -2.391 118.308 120.570 0.215 0.000 3.145 323 I HA 0.514 4.688 4.170 0.005 0.000 0.313 323 I C -0.421 175.767 176.117 0.118 0.000 1.122 323 I CA -1.066 60.316 61.300 0.138 0.000 0.987 323 I CB 2.507 40.539 38.000 0.054 0.000 1.236 323 I HN -0.345 nan 8.210 nan 0.000 0.453 324 D N 2.520 122.999 120.400 0.132 0.000 2.499 324 D HA 0.247 4.890 4.640 0.005 0.000 0.225 324 D C 0.577 176.939 176.300 0.104 0.000 1.124 324 D CA -0.221 53.875 54.000 0.160 0.000 0.938 324 D CB 1.056 42.011 40.800 0.259 0.000 1.014 324 D HN 0.559 nan 8.370 nan 0.000 0.517 325 K N 2.190 122.605 120.400 0.025 0.000 2.032 325 K HA -0.109 4.214 4.320 0.005 0.000 0.209 325 K C -0.904 175.686 176.600 -0.016 0.000 1.048 325 K CA 1.186 57.442 56.287 -0.053 0.000 0.927 325 K CB -0.520 31.950 32.500 -0.051 0.000 0.712 325 K HN 0.333 nan 8.250 nan 0.000 0.441 326 P HA -0.166 nan 4.420 nan 0.000 0.217 326 P C 1.162 178.503 177.300 0.069 0.000 1.150 326 P CA 0.960 64.091 63.100 0.050 0.000 0.832 326 P CB 0.009 31.762 31.700 0.089 0.000 0.787 327 F N 0.131 120.075 119.950 -0.010 0.000 2.134 327 F HA -0.140 4.390 4.527 0.006 0.000 0.299 327 F C 1.968 177.749 175.800 -0.032 0.000 1.097 327 F CA 1.378 59.360 58.000 -0.030 0.000 1.264 327 F CB -0.819 38.050 39.000 -0.219 0.000 1.001 327 F HN -0.239 nan 8.300 nan 0.000 0.479 328 I N 0.212 120.721 120.570 -0.102 0.000 2.226 328 I HA -0.266 3.907 4.170 0.005 0.000 0.245 328 I C 2.343 178.337 176.117 -0.206 0.000 1.100 328 I CA 1.804 62.986 61.300 -0.197 0.000 1.374 328 I CB -0.488 37.335 38.000 -0.294 0.000 1.057 328 I HN 0.156 nan 8.210 nan 0.000 0.413 329 E N 1.045 121.144 120.200 -0.169 0.000 2.150 329 E HA -0.141 4.212 4.350 0.005 0.000 0.193 329 E C 1.999 178.488 176.600 -0.186 0.000 0.985 329 E CA 1.448 57.764 56.400 -0.139 0.000 0.814 329 E CB -0.018 29.624 29.700 -0.098 0.000 0.752 329 E HN 0.440 nan 8.360 nan 0.000 0.466 330 A N -0.892 121.757 122.820 -0.285 0.000 1.997 330 A HA 0.011 4.334 4.320 0.005 0.000 0.212 330 A C 1.256 178.459 177.584 -0.635 0.000 1.178 330 A CA 0.851 52.614 52.037 -0.458 0.000 0.698 330 A CB -0.128 18.520 19.000 -0.587 0.000 0.842 330 A HN 0.295 nan 8.150 nan 0.000 0.458 331 H N -0.588 118.289 119.070 -0.321 0.000 2.923 331 H HA 0.192 4.751 4.556 0.005 0.000 0.268 331 H C 0.048 175.173 175.328 -0.339 0.000 1.148 331 H CA 0.898 56.747 56.048 -0.331 0.000 1.146 331 H CB 0.295 29.767 29.762 -0.484 0.000 1.607 331 H HN 0.559 nan 8.280 nan 0.000 0.566 332 T N -1.975 112.464 114.554 -0.192 0.000 2.865 332 T HA 0.597 4.951 4.350 0.005 0.000 0.294 332 T C -0.683 174.058 174.700 0.069 0.000 1.119 332 T CA -0.954 61.102 62.100 -0.073 0.000 1.007 332 T CB 3.662 72.535 68.868 0.009 0.000 1.225 332 T HN 0.095 nan 8.240 nan 0.000 0.515 333 K N -0.666 119.833 120.400 0.165 0.000 2.498 333 K HA 0.555 4.878 4.320 0.005 0.000 0.254 333 K C 0.590 177.320 176.600 0.216 0.000 0.933 333 K CA -0.074 56.275 56.287 0.103 0.000 0.806 333 K CB 1.260 33.703 32.500 -0.096 0.000 1.301 333 K HN 1.357 nan 8.250 nan 0.000 0.432 334 G N 2.976 111.857 108.800 0.136 0.000 2.175 334 G HA2 -0.298 3.665 3.960 0.005 0.000 0.244 334 G HA3 -0.298 3.665 3.960 0.005 0.000 0.244 334 G C 0.333 175.232 174.900 -0.003 0.000 0.982 334 G CA 0.343 45.510 45.100 0.112 0.000 0.641 334 G HN 0.633 nan 8.290 nan 0.000 0.527 335 F N 2.046 121.799 119.950 -0.328 0.000 2.046 335 F HA -0.019 4.511 4.527 0.005 0.000 0.297 335 F C 2.190 177.756 175.800 -0.390 0.000 1.123 335 F CA 2.480 59.956 58.000 -0.873 0.000 1.199 335 F CB -0.132 38.414 39.000 -0.757 0.000 0.972 335 F HN 0.146 nan 8.300 nan 0.000 0.474 336 D N 0.393 120.597 120.400 -0.325 0.000 2.123 336 D HA -0.191 4.452 4.640 0.005 0.000 0.196 336 D C 1.887 178.012 176.300 -0.292 0.000 0.992 336 D CA 1.646 55.436 54.000 -0.350 0.000 0.833 336 D CB -0.600 40.130 40.800 -0.117 0.000 0.954 336 D HN 0.371 nan 8.370 nan 0.000 0.455 337 D N 0.390 120.678 120.400 -0.186 0.000 2.117 337 D HA -0.079 4.564 4.640 0.005 0.000 0.197 337 D C 2.028 178.258 176.300 -0.117 0.000 0.987 337 D CA 1.263 55.193 54.000 -0.117 0.000 0.829 337 D CB -0.289 40.475 40.800 -0.058 0.000 0.961 337 D HN 0.151 nan 8.370 nan 0.000 0.460 338 A N 0.455 123.187 122.820 -0.147 0.000 1.969 338 A HA -0.093 4.230 4.320 0.005 0.000 0.218 338 A C 2.483 180.093 177.584 0.043 0.000 1.169 338 A CA 0.843 52.850 52.037 -0.049 0.000 0.635 338 A CB -0.567 18.404 19.000 -0.047 0.000 0.810 338 A HN 0.135 nan 8.150 nan 0.000 0.445 339 V N 0.152 119.943 119.914 -0.205 0.000 2.343 339 V HA -0.280 3.843 4.120 0.005 0.000 0.247 339 V C 2.461 178.470 176.094 -0.142 0.000 1.051 339 V CA 2.405 64.537 62.300 -0.279 0.000 1.036 339 V CB -0.601 30.837 31.823 -0.641 0.000 0.654 339 V HN 0.561 nan 8.190 nan 0.000 0.451 340 K N 0.300 120.618 120.400 -0.136 0.000 2.025 340 K HA -0.134 4.189 4.320 0.005 0.000 0.207 340 K C 2.243 178.829 176.600 -0.023 0.000 1.049 340 K CA 1.896 58.136 56.287 -0.078 0.000 0.933 340 K CB -0.535 31.919 32.500 -0.077 0.000 0.714 340 K HN 0.685 nan 8.250 nan 0.000 0.438 341 T N -0.612 113.939 114.554 -0.005 0.000 2.951 341 T HA -0.031 4.323 4.350 0.005 0.000 0.268 341 T C 1.257 175.994 174.700 0.061 0.000 1.073 341 T CA 1.024 63.140 62.100 0.027 0.000 1.134 341 T CB -0.121 68.763 68.868 0.028 0.000 0.884 341 T HN 0.001 nan 8.240 nan 0.000 0.479 342 N N 0.813 119.570 118.700 0.094 0.000 2.235 342 N HA 0.211 4.954 4.740 0.005 0.000 0.209 342 N C 0.187 175.780 175.510 0.140 0.000 1.122 342 N CA -0.187 52.950 53.050 0.146 0.000 0.845 342 N CB -0.050 38.568 38.487 0.219 0.000 1.004 342 N HN 0.470 nan 8.380 nan 0.000 0.499 343 R N 1.179 121.722 120.500 0.071 0.000 2.484 343 R HA 0.179 4.522 4.340 0.005 0.000 0.293 343 R C -0.987 175.337 176.300 0.041 0.000 1.023 343 R CA 0.081 56.200 56.100 0.032 0.000 1.037 343 R CB 0.071 30.366 30.300 -0.008 0.000 0.951 343 R HN -0.001 nan 8.270 nan 0.000 0.418 344 L N 3.789 125.031 121.223 0.032 0.000 2.543 344 L HA 0.269 4.612 4.340 0.005 0.000 0.265 344 L C -0.734 176.136 176.870 0.000 0.000 0.945 344 L CA -0.167 54.684 54.840 0.018 0.000 0.869 344 L CB 2.109 44.172 42.059 0.008 0.000 1.294 344 L HN 0.804 nan 8.230 nan 0.000 0.405 345 S N 4.134 119.828 115.700 -0.010 0.000 2.600 345 S HA 0.319 4.792 4.470 0.005 0.000 0.265 345 S C 1.263 175.838 174.600 -0.041 0.000 1.325 345 S CA -0.569 57.620 58.200 -0.019 0.000 1.002 345 S CB 0.733 63.921 63.200 -0.020 0.000 0.921 345 S HN 0.741 nan 8.310 nan 0.000 0.554 346 L N 0.390 121.577 121.223 -0.061 0.000 2.141 346 L HA -0.092 4.251 4.340 0.005 0.000 0.209 346 L C 2.090 178.903 176.870 -0.095 0.000 1.094 346 L CA 1.307 56.082 54.840 -0.108 0.000 0.763 346 L CB -0.652 41.289 42.059 -0.196 0.000 0.908 346 L HN 0.695 nan 8.230 nan 0.000 0.437 347 D N -0.087 120.271 120.400 -0.071 0.000 2.117 347 D HA -0.219 4.424 4.640 0.005 0.000 0.197 347 D C 2.051 178.318 176.300 -0.056 0.000 0.987 347 D CA 1.181 55.145 54.000 -0.059 0.000 0.829 347 D CB 0.110 40.885 40.800 -0.042 0.000 0.961 347 D HN 0.333 nan 8.370 nan 0.000 0.460 348 E N -0.232 119.939 120.200 -0.048 0.000 2.072 348 E HA -0.147 4.206 4.350 0.005 0.000 0.191 348 E C 2.152 178.705 176.600 -0.080 0.000 0.985 348 E CA 0.720 57.094 56.400 -0.043 0.000 0.801 348 E CB -0.076 29.612 29.700 -0.020 0.000 0.750 348 E HN 0.217 nan 8.360 nan 0.000 0.452 349 C N 0.018 119.258 119.300 -0.100 0.000 2.413 349 C HA -0.143 4.320 4.460 0.005 0.000 0.276 349 C C 3.019 177.920 174.990 -0.147 0.000 1.236 349 C CA 1.714 60.642 59.018 -0.150 0.000 1.735 349 C CB -1.130 26.534 27.740 -0.127 0.000 2.031 349 C HN 0.537 nan 8.230 nan 0.000 0.474 350 S N 0.688 116.319 115.700 -0.114 0.000 2.368 350 S HA -0.158 4.315 4.470 0.005 0.000 0.225 350 S C 1.746 176.294 174.600 -0.088 0.000 1.030 350 S CA 2.013 60.151 58.200 -0.103 0.000 0.999 350 S CB -0.594 62.552 63.200 -0.090 0.000 0.844 350 S HN 0.760 nan 8.310 nan 0.000 0.459 351 N N 1.312 119.969 118.700 -0.072 0.000 2.166 351 N HA 0.025 4.768 4.740 0.005 0.000 0.186 351 N C 1.717 177.195 175.510 -0.053 0.000 1.019 351 N CA 1.358 54.377 53.050 -0.050 0.000 0.856 351 N CB -0.469 38.001 38.487 -0.029 0.000 0.993 351 N HN 0.490 nan 8.380 nan 0.000 0.426 352 I N 0.457 120.977 120.570 -0.084 0.000 2.233 352 I HA -0.190 3.983 4.170 0.005 0.000 0.243 352 I C 2.228 178.266 176.117 -0.133 0.000 1.093 352 I CA 1.384 62.625 61.300 -0.098 0.000 1.380 352 I CB -0.438 37.422 38.000 -0.233 0.000 1.067 352 I HN 0.228 nan 8.210 nan 0.000 0.413 353 T N -2.143 112.302 114.554 -0.180 0.000 3.043 353 T HA 0.159 4.513 4.350 0.005 0.000 0.263 353 T C 1.685 176.317 174.700 -0.114 0.000 1.094 353 T CA 0.657 62.656 62.100 -0.169 0.000 1.127 353 T CB 0.209 68.959 68.868 -0.197 0.000 0.905 353 T HN 0.543 nan 8.240 nan 0.000 0.490 354 G N 0.632 109.375 108.800 -0.094 0.000 2.179 354 G HA2 -0.232 3.731 3.960 0.005 0.000 0.260 354 G HA3 -0.232 3.731 3.960 0.005 0.000 0.260 354 G C 0.088 174.938 174.900 -0.084 0.000 0.977 354 G CA 0.057 45.112 45.100 -0.075 0.000 0.641 354 G HN 0.731 nan 8.290 nan 0.000 0.533 355 V N 2.228 122.082 119.914 -0.100 0.000 2.461 355 V HA 0.414 4.537 4.120 0.005 0.000 0.275 355 V C -1.405 174.632 176.094 -0.095 0.000 1.047 355 V CA -1.432 60.806 62.300 -0.103 0.000 0.955 355 V CB 1.477 33.234 31.823 -0.110 0.000 0.988 355 V HN 0.083 nan 8.190 nan 0.000 0.471 356 P HA 0.054 nan 4.420 nan 0.000 0.267 356 P C 1.056 178.299 177.300 -0.095 0.000 1.200 356 P CA 0.049 63.102 63.100 -0.080 0.000 0.772 356 P CB 0.658 32.317 31.700 -0.068 0.000 0.855 357 V N 2.603 122.461 119.914 -0.094 0.000 2.324 357 V HA -0.274 3.850 4.120 0.005 0.000 0.250 357 V C 2.014 178.032 176.094 -0.126 0.000 1.060 357 V CA 2.506 64.734 62.300 -0.119 0.000 1.042 357 V CB -1.183 30.575 31.823 -0.107 0.000 0.650 357 V HN 0.709 nan 8.190 nan 0.000 0.450 358 D N -0.528 119.816 120.400 -0.093 0.000 2.178 358 D HA -0.238 4.405 4.640 0.005 0.000 0.201 358 D C 2.015 178.252 176.300 -0.105 0.000 0.980 358 D CA 1.516 55.468 54.000 -0.080 0.000 0.842 358 D CB -0.312 40.459 40.800 -0.048 0.000 0.948 358 D HN 0.425 nan 8.370 nan 0.000 0.472 359 M N -0.148 119.381 119.600 -0.119 0.000 2.200 359 M HA 0.027 4.510 4.480 0.005 0.000 0.265 359 M C 2.486 178.690 176.300 -0.160 0.000 1.066 359 M CA 0.727 55.931 55.300 -0.160 0.000 1.127 359 M CB -0.050 32.465 32.600 -0.142 0.000 1.379 359 M HN -0.005 nan 8.290 nan 0.000 0.420 360 L N -0.069 121.078 121.223 -0.126 0.000 2.046 360 L HA -0.225 4.118 4.340 0.005 0.000 0.208 360 L C 2.386 179.212 176.870 -0.073 0.000 1.077 360 L CA 1.383 56.171 54.840 -0.086 0.000 0.747 360 L CB -0.673 41.313 42.059 -0.122 0.000 0.896 360 L HN 0.256 nan 8.230 nan 0.000 0.432 361 K N -0.232 120.076 120.400 -0.153 0.000 2.097 361 K HA -0.199 4.125 4.320 0.005 0.000 0.206 361 K C 2.285 178.942 176.600 0.094 0.000 1.049 361 K CA 1.173 57.420 56.287 -0.066 0.000 0.933 361 K CB -0.150 32.297 32.500 -0.089 0.000 0.717 361 K HN 0.189 nan 8.250 nan 0.000 0.442 362 R N 0.788 121.236 120.500 -0.087 0.000 2.075 362 R HA -0.095 4.249 4.340 0.005 0.000 0.232 362 R C 2.247 178.259 176.300 -0.481 0.000 1.126 362 R CA 1.274 57.208 56.100 -0.278 0.000 0.963 362 R CB -0.186 29.861 30.300 -0.422 0.000 0.858 362 R HN 0.171 nan 8.270 nan 0.000 0.435 363 A N 0.814 123.426 122.820 -0.347 0.000 1.883 363 A HA -0.150 4.173 4.320 0.005 0.000 0.217 363 A C 2.348 180.040 177.584 0.180 0.000 1.186 363 A CA 1.850 53.759 52.037 -0.212 0.000 0.624 363 A CB -0.839 18.142 19.000 -0.031 0.000 0.822 363 A HN 0.538 nan 8.150 nan 0.000 0.444 364 A N -0.580 122.477 122.820 0.395 0.000 1.930 364 A HA -0.155 4.168 4.320 0.005 0.000 0.217 364 A C 2.043 179.948 177.584 0.534 0.000 1.175 364 A CA 1.765 54.228 52.037 0.710 0.000 0.627 364 A CB -0.516 19.070 19.000 0.978 0.000 0.815 364 A HN 0.694 nan 8.150 nan 0.000 0.443 365 E N -1.151 119.298 120.200 0.416 0.000 2.051 365 E HA -0.227 4.126 4.350 0.005 0.000 0.192 365 E C 1.753 178.415 176.600 0.103 0.000 0.991 365 E CA 1.463 57.955 56.400 0.153 0.000 0.799 365 E CB -0.234 29.619 29.700 0.256 0.000 0.748 365 E HN 0.745 nan 8.360 nan 0.000 0.449 366 W N 0.674 121.939 121.300 -0.059 0.000 2.363 366 W HA -0.034 4.628 4.660 0.004 0.000 0.296 366 W C 2.527 178.935 176.519 -0.185 0.000 1.212 366 W CA 0.959 58.233 57.345 -0.120 0.000 1.260 366 W CB -0.869 28.528 29.460 -0.105 0.000 1.131 366 W HN 0.095 nan 8.180 nan 0.000 0.530 367 S N -1.976 113.720 115.700 -0.007 0.000 2.439 367 S HA -0.032 4.441 4.470 0.005 0.000 0.224 367 S C 1.084 175.357 174.600 -0.545 0.000 1.029 367 S CA 0.852 58.825 58.200 -0.379 0.000 0.946 367 S CB -0.107 62.648 63.200 -0.742 0.000 0.797 367 S HN 0.225 nan 8.310 nan 0.000 0.504 368 Y N 0.499 120.875 120.300 0.126 0.000 2.441 368 Y HA 0.426 4.979 4.550 0.006 0.000 0.266 368 Y C 0.561 176.319 175.900 -0.237 0.000 1.093 368 Y CA -1.052 57.089 58.100 0.068 0.000 1.246 368 Y CB -0.027 38.606 38.460 0.288 0.000 1.262 368 Y HN -0.043 nan 8.280 nan 0.000 0.518 369 K N 3.256 123.293 120.400 -0.605 0.000 2.412 369 K HA 0.133 4.456 4.320 0.005 0.000 0.281 369 K C -2.659 173.605 176.600 -0.560 0.000 1.027 369 K CA -1.598 53.916 56.287 -1.288 0.000 0.989 369 K CB 0.442 32.002 32.500 -1.567 0.000 0.935 369 K HN -0.112 nan 8.250 nan 0.000 0.475 370 P HA -0.047 nan 4.420 nan 0.000 0.267 370 P C -0.878 176.302 177.300 -0.201 0.000 1.200 370 P CA 0.249 63.224 63.100 -0.209 0.000 0.772 370 P CB 0.516 32.147 31.700 -0.114 0.000 0.855 371 K N 1.521 121.814 120.400 -0.178 0.000 2.138 371 K HA 0.292 4.615 4.320 0.005 0.000 0.251 371 K C 1.448 177.963 176.600 -0.141 0.000 1.015 371 K CA -0.247 55.934 56.287 -0.177 0.000 0.917 371 K CB 0.294 32.660 32.500 -0.224 0.000 1.021 371 K HN 0.352 nan 8.250 nan 0.000 0.485 372 A N 1.032 123.777 122.820 -0.126 0.000 1.978 372 A HA -0.174 4.149 4.320 0.005 0.000 0.220 372 A C 1.940 179.471 177.584 -0.088 0.000 1.170 372 A CA 2.185 54.168 52.037 -0.091 0.000 0.636 372 A CB -0.704 18.249 19.000 -0.077 0.000 0.810 372 A HN 0.743 nan 8.150 nan 0.000 0.448 373 S N -2.283 113.347 115.700 -0.117 0.000 2.607 373 S HA 0.361 4.835 4.470 0.005 0.000 0.224 373 S C 1.445 175.990 174.600 -0.092 0.000 0.969 373 S CA 1.086 59.223 58.200 -0.105 0.000 0.927 373 S CB -0.112 63.005 63.200 -0.138 0.000 0.772 373 S HN 1.826 nan 8.310 nan 0.000 0.533 374 G N 0.020 108.763 108.800 -0.096 0.000 2.307 374 G HA2 -0.201 3.762 3.960 0.005 0.000 0.210 374 G HA3 -0.201 3.762 3.960 0.005 0.000 0.210 374 G C -0.156 174.694 174.900 -0.083 0.000 1.005 374 G CA -0.331 44.726 45.100 -0.072 0.000 0.634 374 G HN 0.547 nan 8.290 nan 0.000 0.496 375 Q N 1.201 120.926 119.800 -0.125 0.000 2.299 375 Q HA 0.732 5.075 4.340 0.005 0.000 0.246 375 Q C 0.588 176.504 176.000 -0.141 0.000 0.935 375 Q CA 0.478 56.198 55.803 -0.138 0.000 0.887 375 Q CB 1.341 29.959 28.738 -0.201 0.000 1.223 375 Q HN 0.939 nan 8.270 nan 0.000 0.439 376 A N 3.316 126.072 122.820 -0.106 0.000 2.445 376 A HA 0.385 4.708 4.320 0.005 0.000 0.242 376 A C -2.120 175.398 177.584 -0.111 0.000 1.075 376 A CA -1.069 50.920 52.037 -0.080 0.000 0.777 376 A CB -0.445 18.549 19.000 -0.010 0.000 1.013 376 A HN 0.500 nan 8.150 nan 0.000 0.493 377 P HA 0.151 nan 4.420 nan 0.000 0.269 377 P C -0.609 176.657 177.300 -0.056 0.000 1.217 377 P CA 0.097 63.140 63.100 -0.096 0.000 0.783 377 P CB 0.381 32.028 31.700 -0.089 0.000 0.898 378 R N 0.956 121.427 120.500 -0.048 0.000 2.205 378 R HA 0.369 4.712 4.340 0.005 0.000 0.342 378 R C -0.384 175.914 176.300 -0.003 0.000 1.058 378 R CA -0.051 56.033 56.100 -0.027 0.000 0.904 378 R CB 0.073 30.362 30.300 -0.018 0.000 1.089 378 R HN 0.381 nan 8.270 nan 0.000 0.471 379 T N 4.094 118.670 114.554 0.037 0.000 2.809 379 T HA 0.221 4.574 4.350 0.005 0.000 0.296 379 T C -0.252 174.480 174.700 0.053 0.000 1.015 379 T CA -0.530 61.577 62.100 0.012 0.000 0.954 379 T CB 0.993 69.859 68.868 -0.004 0.000 0.950 379 T HN 0.388 nan 8.240 nan 0.000 0.450 380 M N 4.150 123.740 119.600 -0.016 0.000 2.120 380 M HA 0.305 4.788 4.480 0.005 0.000 0.354 380 M C -0.984 175.323 176.300 0.012 0.000 1.287 380 M CA -0.306 55.019 55.300 0.042 0.000 1.103 380 M CB 0.186 32.753 32.600 -0.056 0.000 1.623 380 M HN 0.610 nan 8.290 nan 0.000 0.471 381 H N 3.975 123.093 119.070 0.079 0.000 2.661 381 H HA 0.554 5.113 4.556 0.006 0.000 0.290 381 H C -0.533 174.909 175.328 0.190 0.000 1.082 381 H CA -0.351 55.768 56.048 0.119 0.000 1.234 381 H CB 0.821 30.578 29.762 -0.007 0.000 1.387 381 H HN 0.734 nan 8.280 nan 0.000 0.476 382 A N 3.660 126.663 122.820 0.306 0.000 2.305 382 A HA 0.632 4.956 4.320 0.005 0.000 0.322 382 A C -1.134 176.656 177.584 0.342 0.000 1.187 382 A CA -0.692 51.512 52.037 0.279 0.000 0.825 382 A CB 0.262 19.481 19.000 0.364 0.000 1.164 382 A HN 0.721 nan 8.150 nan 0.000 0.498 383 Y N -0.621 119.814 120.300 0.226 0.000 2.588 383 Y HA 0.878 5.431 4.550 0.005 0.000 0.343 383 Y C -0.367 175.615 175.900 0.138 0.000 1.065 383 Y CA -0.954 57.259 58.100 0.189 0.000 1.038 383 Y CB 1.199 39.738 38.460 0.131 0.000 1.297 383 Y HN 0.653 nan 8.280 nan 0.000 0.467 384 E N 0.285 120.646 120.200 0.267 0.000 2.909 384 E HA 0.421 4.774 4.350 0.005 0.000 0.119 384 E C 0.412 177.063 176.600 0.085 0.000 1.056 384 E CA -0.346 56.120 56.400 0.109 0.000 0.788 384 E CB 0.395 30.115 29.700 0.034 0.000 2.111 384 E HN 0.454 nan 8.360 nan 0.000 0.447 385 K N 0.168 120.541 120.400 -0.046 0.000 2.365 385 K HA 0.122 4.446 4.320 0.005 0.000 0.199 385 K C 1.666 178.332 176.600 0.110 0.000 1.045 385 K CA 0.953 57.136 56.287 -0.174 0.000 0.962 385 K CB -0.503 31.811 32.500 -0.311 0.000 0.759 385 K HN 0.508 nan 8.250 nan 0.000 0.469 386 G N 1.872 110.792 108.800 0.200 0.000 2.462 386 G HA2 -0.206 3.757 3.960 0.005 0.000 0.220 386 G HA3 -0.206 3.757 3.960 0.005 0.000 0.220 386 G C 1.538 176.628 174.900 0.317 0.000 1.121 386 G CA 1.023 46.306 45.100 0.304 0.000 0.758 386 G HN 0.479 nan 8.290 nan 0.000 0.559 387 I N -3.410 117.316 120.570 0.259 0.000 4.032 387 I HA 0.365 4.538 4.170 0.005 0.000 0.313 387 I C 2.283 178.506 176.117 0.177 0.000 1.272 387 I CA -0.062 61.372 61.300 0.223 0.000 1.307 387 I CB 0.002 38.114 38.000 0.186 0.000 1.155 387 I HN -0.033 nan 8.210 nan 0.000 0.431 388 I N 0.646 121.281 120.570 0.108 0.000 2.315 388 I HA -0.166 4.007 4.170 0.005 0.000 0.248 388 I C 1.131 177.390 176.117 0.236 0.000 1.117 388 I CA 1.915 63.219 61.300 0.008 0.000 1.404 388 I CB -0.096 37.733 38.000 -0.285 0.000 1.071 388 I HN 0.348 nan 8.210 nan 0.000 0.419 389 W N 0.906 122.373 121.300 0.278 0.000 2.937 389 W HA 0.367 5.030 4.660 0.005 0.000 0.435 389 W C 1.002 177.790 176.519 0.449 0.000 0.912 389 W CA -0.918 56.660 57.345 0.387 0.000 2.209 389 W CB 0.098 29.824 29.460 0.442 0.000 1.144 389 W HN -0.056 nan 8.180 nan 0.000 0.762 390 G N 0.721 109.815 108.800 0.489 0.000 2.543 390 G HA2 -0.016 3.947 3.960 0.005 0.000 0.267 390 G HA3 -0.016 3.947 3.960 0.005 0.000 0.267 390 G C -0.448 174.231 174.900 -0.368 0.000 1.406 390 G CA -0.670 44.587 45.100 0.261 0.000 1.048 390 G HN -0.006 nan 8.290 nan 0.000 0.548 391 N N 1.032 119.269 118.700 -0.772 0.000 2.549 391 N HA 0.131 4.875 4.740 0.005 0.000 0.267 391 N C -0.372 175.008 175.510 -0.216 0.000 1.182 391 N CA 0.188 52.656 53.050 -0.970 0.000 1.019 391 N CB -0.324 37.831 38.487 -0.554 0.000 1.380 391 N HN 0.442 nan 8.380 nan 0.000 0.505 392 D N 1.671 122.102 120.400 0.051 0.000 3.585 392 D HA -0.188 4.455 4.640 0.005 0.000 0.251 392 D C 0.801 177.245 176.300 0.239 0.000 1.065 392 D CA 0.179 54.369 54.000 0.316 0.000 1.048 392 D CB -1.062 39.899 40.800 0.270 0.000 0.952 392 D HN 0.694 nan 8.370 nan 0.000 0.421 393 N N 1.544 120.403 118.700 0.265 0.000 2.049 393 N HA -0.288 4.455 4.740 0.005 0.000 0.198 393 N C 1.677 177.294 175.510 0.180 0.000 1.030 393 N CA 2.186 55.365 53.050 0.215 0.000 0.870 393 N CB -0.449 38.197 38.487 0.266 0.000 1.045 393 N HN 0.673 nan 8.380 nan 0.000 0.434 394 Y N 1.062 121.425 120.300 0.104 0.000 2.181 394 Y HA -0.131 4.422 4.550 0.005 0.000 0.288 394 Y C 2.536 178.466 175.900 0.050 0.000 1.146 394 Y CA 1.608 59.752 58.100 0.073 0.000 1.164 394 Y CB -0.276 38.226 38.460 0.070 0.000 0.982 394 Y HN -0.070 nan 8.280 nan 0.000 0.515 395 V N 0.152 120.218 119.914 0.253 0.000 2.379 395 V HA -0.292 3.831 4.120 0.005 0.000 0.245 395 V C 2.264 178.401 176.094 0.072 0.000 1.044 395 V CA 1.941 64.340 62.300 0.165 0.000 1.036 395 V CB -0.541 31.408 31.823 0.210 0.000 0.664 395 V HN 0.408 nan 8.190 nan 0.000 0.453 396 I N -0.399 120.221 120.570 0.084 0.000 2.226 396 I HA -0.287 3.886 4.170 0.005 0.000 0.245 396 I C 2.678 178.752 176.117 -0.071 0.000 1.100 396 I CA 1.592 62.936 61.300 0.073 0.000 1.374 396 I CB -0.413 37.648 38.000 0.102 0.000 1.057 396 I HN 0.352 nan 8.210 nan 0.000 0.413 397 Q N 0.166 119.867 119.800 -0.165 0.000 2.119 397 Q HA -0.142 4.201 4.340 0.005 0.000 0.201 397 Q C 2.465 178.269 176.000 -0.327 0.000 0.972 397 Q CA 1.563 57.174 55.803 -0.320 0.000 0.847 397 Q CB -0.041 28.496 28.738 -0.336 0.000 0.903 397 Q HN 0.454 nan 8.270 nan 0.000 0.433 398 S N 0.909 116.433 115.700 -0.293 0.000 2.359 398 S HA -0.196 4.278 4.470 0.005 0.000 0.224 398 S C 2.044 176.507 174.600 -0.228 0.000 1.035 398 S CA 1.190 59.228 58.200 -0.270 0.000 1.018 398 S CB -0.249 62.835 63.200 -0.193 0.000 0.876 398 S HN 0.506 nan 8.310 nan 0.000 0.448 399 A N 1.187 123.917 122.820 -0.149 0.000 1.898 399 A HA -0.017 4.306 4.320 0.005 0.000 0.216 399 A C 2.141 179.592 177.584 -0.223 0.000 1.181 399 A CA 1.389 53.358 52.037 -0.114 0.000 0.620 399 A CB -0.692 18.353 19.000 0.075 0.000 0.819 399 A HN 0.419 nan 8.150 nan 0.000 0.442 400 L N -0.586 120.418 121.223 -0.366 0.000 2.027 400 L HA -0.061 4.283 4.340 0.005 0.000 0.206 400 L C 2.060 178.602 176.870 -0.548 0.000 1.074 400 L CA 1.560 55.972 54.840 -0.712 0.000 0.745 400 L CB -0.446 41.039 42.059 -0.957 0.000 0.898 400 L HN 0.249 nan 8.230 nan 0.000 0.433 401 L N -0.346 120.603 121.223 -0.458 0.000 2.131 401 L HA -0.186 4.157 4.340 0.005 0.000 0.210 401 L C 2.215 178.827 176.870 -0.431 0.000 1.092 401 L CA 1.454 56.042 54.840 -0.420 0.000 0.759 401 L CB -1.535 40.297 42.059 -0.378 0.000 0.903 401 L HN 0.366 nan 8.230 nan 0.000 0.435 402 D N -0.364 119.783 120.400 -0.422 0.000 2.117 402 D HA -0.199 4.444 4.640 0.005 0.000 0.197 402 D C 2.164 178.305 176.300 -0.264 0.000 0.987 402 D CA 0.870 54.624 54.000 -0.409 0.000 0.829 402 D CB -0.060 40.345 40.800 -0.658 0.000 0.961 402 D HN 0.166 nan 8.370 nan 0.000 0.460 403 L N 0.553 121.601 121.223 -0.291 0.000 2.046 403 L HA -0.133 4.211 4.340 0.005 0.000 0.208 403 L C 2.198 178.965 176.870 -0.172 0.000 1.077 403 L CA 1.344 56.142 54.840 -0.071 0.000 0.747 403 L CB -0.480 41.508 42.059 -0.119 0.000 0.896 403 L HN -0.121 nan 8.230 nan 0.000 0.432 404 V N -0.239 119.464 119.914 -0.351 0.000 2.358 404 V HA -0.288 3.835 4.120 0.005 0.000 0.246 404 V C 2.492 178.489 176.094 -0.162 0.000 1.047 404 V CA 2.158 64.227 62.300 -0.385 0.000 1.035 404 V CB -0.435 31.082 31.823 -0.510 0.000 0.658 404 V HN 0.426 nan 8.190 nan 0.000 0.452 405 I N 0.450 120.906 120.570 -0.190 0.000 2.202 405 I HA -0.200 3.973 4.170 0.005 0.000 0.242 405 I C 2.644 178.884 176.117 0.204 0.000 1.091 405 I CA 1.462 62.688 61.300 -0.124 0.000 1.368 405 I CB -0.583 37.027 38.000 -0.649 0.000 1.058 405 I HN 0.265 nan 8.210 nan 0.000 0.410 406 A N 0.405 123.442 122.820 0.360 0.000 2.024 406 A HA -0.201 4.122 4.320 0.005 0.000 0.220 406 A C 2.186 179.935 177.584 0.276 0.000 1.164 406 A CA 2.237 54.577 52.037 0.504 0.000 0.643 406 A CB -1.031 18.403 19.000 0.723 0.000 0.806 406 A HN 0.536 nan 8.150 nan 0.000 0.451 407 T N -5.202 109.456 114.554 0.174 0.000 3.145 407 T HA 0.196 4.550 4.350 0.005 0.000 0.255 407 T C 0.432 175.226 174.700 0.157 0.000 1.039 407 T CA 0.595 62.788 62.100 0.156 0.000 0.928 407 T CB -0.773 68.169 68.868 0.123 0.000 1.029 407 T HN 0.696 nan 8.240 nan 0.000 0.554 408 H N 0.991 120.005 119.070 -0.093 0.000 2.713 408 H HA -0.146 4.413 4.556 0.005 0.000 0.311 408 H C -0.364 174.821 175.328 -0.237 0.000 1.175 408 H CA 0.167 55.939 56.048 -0.460 0.000 1.143 408 H CB -1.370 28.048 29.762 -0.572 0.000 1.434 408 H HN 0.329 nan 8.280 nan 0.000 0.418 409 N N 0.839 119.562 118.700 0.038 0.000 2.455 409 N HA 0.121 4.864 4.740 0.005 0.000 0.258 409 N C -0.445 175.114 175.510 0.082 0.000 1.158 409 N CA 0.820 53.914 53.050 0.074 0.000 0.893 409 N CB 0.758 39.368 38.487 0.204 0.000 1.173 409 N HN 0.277 nan 8.380 nan 0.000 0.503 410 V N -4.848 115.129 119.914 0.106 0.000 2.841 410 V HA 0.834 4.958 4.120 0.005 0.000 0.310 410 V C 1.039 177.272 176.094 0.231 0.000 1.090 410 V CA -0.521 61.901 62.300 0.204 0.000 0.930 410 V CB 1.385 33.391 31.823 0.304 0.000 1.014 410 V HN 0.170 nan 8.190 nan 0.000 0.425 411 G N 2.724 111.652 108.800 0.214 0.000 2.253 411 G HA2 -0.213 3.750 3.960 0.005 0.000 0.251 411 G HA3 -0.213 3.750 3.960 0.005 0.000 0.251 411 G C 0.379 175.318 174.900 0.066 0.000 0.998 411 G CA 0.404 45.602 45.100 0.163 0.000 0.621 411 G HN 0.877 nan 8.290 nan 0.000 0.524 412 R N 0.517 121.011 120.500 -0.009 0.000 2.428 412 R HA 0.517 4.861 4.340 0.005 0.000 0.294 412 R C 0.274 176.574 176.300 0.000 0.000 1.000 412 R CA -1.054 54.999 56.100 -0.078 0.000 0.960 412 R CB 0.672 30.819 30.300 -0.255 0.000 1.076 412 R HN 0.052 nan 8.270 nan 0.000 0.475 413 R N 0.445 120.979 120.500 0.058 0.000 2.679 413 R HA 0.066 4.410 4.340 0.005 0.000 0.268 413 R C 1.117 177.463 176.300 0.076 0.000 1.044 413 R CA 0.607 56.776 56.100 0.115 0.000 1.105 413 R CB -0.077 30.373 30.300 0.249 0.000 0.989 413 R HN 1.035 nan 8.270 nan 0.000 0.447 414 G N 0.308 109.155 108.800 0.078 0.000 2.159 414 G HA2 -0.316 3.647 3.960 0.005 0.000 0.256 414 G HA3 -0.316 3.647 3.960 0.005 0.000 0.256 414 G C 0.383 175.302 174.900 0.031 0.000 0.977 414 G CA 0.906 46.033 45.100 0.046 0.000 0.652 414 G HN 0.897 nan 8.290 nan 0.000 0.531 415 T N -3.061 111.525 114.554 0.053 0.000 2.572 415 T HA 0.964 5.318 4.350 0.005 0.000 0.244 415 T C 0.640 175.413 174.700 0.121 0.000 0.860 415 T CA 0.307 62.456 62.100 0.082 0.000 1.125 415 T CB 1.978 70.887 68.868 0.067 0.000 1.491 415 T HN 2.296 nan 8.240 nan 0.000 0.532 416 G N -1.137 107.757 108.800 0.156 0.000 2.528 416 G HA2 0.282 4.245 3.960 0.005 0.000 0.681 416 G HA3 0.282 4.245 3.960 0.005 0.000 0.681 416 G C -0.692 174.328 174.900 0.200 0.000 1.340 416 G CA -0.485 44.721 45.100 0.176 0.000 0.855 416 G HN 1.558 nan 8.290 nan 0.000 0.649 417 C N 2.781 122.193 119.300 0.185 0.000 2.386 417 C HA 0.836 5.299 4.460 0.005 0.000 0.318 417 C C 0.242 175.387 174.990 0.260 0.000 1.128 417 C CA 0.263 59.403 59.018 0.204 0.000 1.438 417 C CB -0.613 27.158 27.740 0.052 0.000 1.987 417 C HN 1.877 nan 8.230 nan 0.000 0.426 418 V N 4.040 124.067 119.914 0.188 0.000 2.876 418 V HA 0.665 4.788 4.120 0.005 0.000 0.312 418 V C -0.254 175.542 176.094 -0.497 0.000 1.085 418 V CA -0.954 61.346 62.300 0.001 0.000 0.945 418 V CB 1.428 33.316 31.823 0.107 0.000 1.017 418 V HN 0.832 nan 8.190 nan 0.000 0.428 419 R N 2.542 122.711 120.500 -0.551 0.000 2.643 419 R HA 0.340 4.683 4.340 0.005 0.000 0.270 419 R C 0.902 177.076 176.300 -0.210 0.000 1.061 419 R CA -0.467 55.221 56.100 -0.687 0.000 1.107 419 R CB 0.715 30.854 30.300 -0.269 0.000 0.999 419 R HN 0.753 nan 8.270 nan 0.000 0.460 420 M N 1.047 120.572 119.600 -0.124 0.000 2.447 420 M HA 0.081 4.564 4.480 0.005 0.000 0.264 420 M C 0.848 177.209 176.300 0.103 0.000 1.095 420 M CA 0.868 56.227 55.300 0.098 0.000 1.125 420 M CB -0.662 32.004 32.600 0.111 0.000 1.389 420 M HN 0.943 nan 8.290 nan 0.000 0.459 421 G N -0.810 108.009 108.800 0.031 0.000 2.730 421 G HA2 0.003 3.966 3.960 0.005 0.000 0.686 421 G HA3 0.003 3.966 3.960 0.005 0.000 0.686 421 G C 0.116 175.059 174.900 0.072 0.000 1.343 421 G CA -0.350 44.792 45.100 0.069 0.000 0.826 421 G HN 0.457 nan 8.290 nan 0.000 0.582 422 G N -0.555 108.306 108.800 0.101 0.000 2.487 422 G HA2 0.538 4.501 3.960 0.005 0.000 0.212 422 G HA3 0.538 4.501 3.960 0.005 0.000 0.212 422 G C 0.443 175.415 174.900 0.120 0.000 1.988 422 G CA 0.565 45.708 45.100 0.070 0.000 0.724 422 G HN 0.944 nan 8.290 nan 0.000 0.755 423 H N 0.472 119.658 119.070 0.194 0.000 2.548 423 H HA 0.483 5.042 4.556 0.006 0.000 0.366 423 H C 0.529 175.963 175.328 0.177 0.000 1.433 423 H CA -0.125 56.048 56.048 0.209 0.000 1.443 423 H CB 0.486 30.200 29.762 -0.080 0.000 1.594 423 H HN 0.277 nan 8.280 nan 0.000 0.608 424 Q N 0.380 120.361 119.800 0.301 0.000 2.500 424 Q HA 0.115 4.459 4.340 0.005 0.000 0.215 424 Q C -0.245 175.870 176.000 0.192 0.000 1.062 424 Q CA -0.243 55.674 55.803 0.191 0.000 0.996 424 Q CB 0.582 29.392 28.738 0.120 0.000 1.239 424 Q HN 0.506 nan 8.270 nan 0.000 0.578 425 E N -0.636 119.632 120.200 0.112 0.000 2.221 425 E HA 0.537 4.890 4.350 0.005 0.000 0.268 425 E C -0.638 175.872 176.600 -0.151 0.000 0.933 425 E CA -0.490 55.961 56.400 0.086 0.000 0.809 425 E CB 1.866 31.643 29.700 0.129 0.000 1.190 425 E HN 0.819 nan 8.360 nan 0.000 0.406 426 G N 2.121 110.760 108.800 -0.269 0.000 4.809 426 G HA2 0.035 3.998 3.960 0.005 0.000 0.225 426 G HA3 0.035 3.998 3.960 0.005 0.000 0.225 426 G C -1.437 173.141 174.900 -0.536 0.000 1.929 426 G CA -0.508 43.901 45.100 -1.152 0.000 0.616 426 G HN 0.344 nan 8.290 nan 0.000 0.286 427 Y N 1.900 122.168 120.300 -0.053 0.000 2.367 427 Y HA 0.645 5.198 4.550 0.005 0.000 0.342 427 Y C -0.297 175.915 175.900 0.519 0.000 0.979 427 Y CA 0.015 58.281 58.100 0.276 0.000 1.161 427 Y CB 1.761 40.371 38.460 0.250 0.000 1.155 427 Y HN 0.089 nan 8.280 nan 0.000 0.503 428 T N 7.505 122.162 114.554 0.171 0.000 3.031 428 T HA 0.559 4.913 4.350 0.005 0.000 0.305 428 T C -0.837 173.941 174.700 0.130 0.000 0.985 428 T CA -0.793 61.447 62.100 0.233 0.000 1.008 428 T CB 0.764 69.819 68.868 0.311 0.000 1.005 428 T HN 0.609 nan 8.240 nan 0.000 0.444 429 R N 2.401 122.973 120.500 0.120 0.000 2.734 429 R HA 0.509 4.852 4.340 0.005 0.000 0.271 429 R C -3.090 173.474 176.300 0.440 0.000 1.021 429 R CA -2.101 54.138 56.100 0.232 0.000 0.893 429 R CB 2.086 32.310 30.300 -0.127 0.000 1.244 429 R HN 0.310 nan 8.270 nan 0.000 0.464 430 P HA 0.199 nan 4.420 nan 0.000 0.274 430 P C -2.516 175.000 177.300 0.360 0.000 1.256 430 P CA -1.376 61.935 63.100 0.352 0.000 0.795 430 P CB 0.089 31.917 31.700 0.213 0.000 1.038 431 P HA 0.025 nan 4.420 nan 0.000 0.272 431 P C -0.796 176.418 177.300 -0.144 0.000 1.223 431 P CA 0.017 63.198 63.100 0.134 0.000 0.784 431 P CB 0.020 31.764 31.700 0.073 0.000 0.923 432 Y N 5.099 125.139 120.300 -0.433 0.000 2.620 432 Y HA 0.141 4.695 4.550 0.006 0.000 0.330 432 Y C -1.617 173.898 175.900 -0.641 0.000 1.186 432 Y CA -1.818 55.633 58.100 -1.081 0.000 1.467 432 Y CB -0.025 38.081 38.460 -0.590 0.000 1.262 432 Y HN 0.309 nan 8.280 nan 0.000 0.550 433 P HA 0.323 nan 4.420 nan 0.000 0.214 433 P C -0.580 176.252 177.300 -0.780 0.000 1.826 433 P CA 0.242 62.883 63.100 -0.765 0.000 0.977 433 P CB -0.084 31.295 31.700 -0.535 0.000 1.930 434 G N 0.932 109.300 108.800 -0.719 0.000 2.547 434 G HA2 0.378 4.341 3.960 0.005 0.000 0.291 434 G HA3 0.378 4.341 3.960 0.005 0.000 0.291 434 G C -1.207 173.663 174.900 -0.049 0.000 1.471 434 G CA -0.798 44.076 45.100 -0.378 0.000 0.798 434 G HN 0.107 nan 8.290 nan 0.000 0.504 435 D N -0.842 119.571 120.400 0.022 0.000 2.535 435 D HA 0.226 4.869 4.640 0.005 0.000 0.229 435 D C 0.302 176.652 176.300 0.083 0.000 1.238 435 D CA -0.114 53.928 54.000 0.070 0.000 0.824 435 D CB 0.759 41.574 40.800 0.025 0.000 1.045 435 D HN 0.278 nan 8.370 nan 0.000 0.500 436 K N 1.321 121.793 120.400 0.120 0.000 2.207 436 K HA 0.339 4.663 4.320 0.005 0.000 0.255 436 K C -0.254 176.423 176.600 0.129 0.000 0.941 436 K CA -1.112 55.232 56.287 0.094 0.000 0.825 436 K CB 1.813 34.359 32.500 0.077 0.000 1.119 436 K HN -0.086 nan 8.250 nan 0.000 0.430 437 K N 3.685 124.124 120.400 0.065 0.000 2.248 437 K HA 0.346 4.670 4.320 0.005 0.000 0.281 437 K C -0.572 176.071 176.600 0.072 0.000 1.054 437 K CA -0.116 56.195 56.287 0.039 0.000 0.903 437 K CB 0.483 32.968 32.500 -0.024 0.000 1.077 437 K HN 0.518 nan 8.250 nan 0.000 0.474 438 I N 3.547 124.178 120.570 0.102 0.000 2.418 438 I HA 0.187 4.360 4.170 0.005 0.000 0.287 438 I C -0.566 175.669 176.117 0.197 0.000 1.008 438 I CA -1.109 60.278 61.300 0.145 0.000 1.104 438 I CB 1.511 39.594 38.000 0.139 0.000 1.264 438 I HN 0.588 nan 8.210 nan 0.000 0.438 439 Y N 6.881 127.219 120.300 0.064 0.000 2.616 439 Y HA 0.141 4.694 4.550 0.005 0.000 0.350 439 Y C 1.308 177.283 175.900 0.125 0.000 1.119 439 Y CA -0.742 57.399 58.100 0.067 0.000 1.467 439 Y CB 0.517 38.997 38.460 0.034 0.000 1.287 439 Y HN 0.584 nan 8.280 nan 0.000 0.504 440 I N 3.244 124.067 120.570 0.421 0.000 2.151 440 I HA -0.327 3.846 4.170 0.005 0.000 0.243 440 I C 1.572 177.909 176.117 0.366 0.000 1.080 440 I CA 1.411 62.943 61.300 0.387 0.000 1.339 440 I CB -0.796 37.408 38.000 0.342 0.000 1.039 440 I HN 0.635 nan 8.210 nan 0.000 0.409 441 D N 0.451 121.067 120.400 0.361 0.000 2.149 441 D HA -0.183 4.460 4.640 0.005 0.000 0.198 441 D C 2.276 178.614 176.300 0.063 0.000 0.990 441 D CA 0.916 55.065 54.000 0.248 0.000 0.839 441 D CB -0.245 40.720 40.800 0.276 0.000 0.948 441 D HN 0.320 nan 8.370 nan 0.000 0.460 442 Q N 0.350 120.056 119.800 -0.156 0.000 2.084 442 Q HA -0.116 4.227 4.340 0.005 0.000 0.202 442 Q C 2.017 177.989 176.000 -0.048 0.000 0.978 442 Q CA 0.894 56.541 55.803 -0.260 0.000 0.844 442 Q CB -0.137 28.252 28.738 -0.581 0.000 0.898 442 Q HN 0.417 nan 8.270 nan 0.000 0.426 443 E N 0.553 120.797 120.200 0.074 0.000 2.077 443 E HA -0.105 4.249 4.350 0.005 0.000 0.193 443 E C 2.282 178.919 176.600 0.061 0.000 0.989 443 E CA 0.581 57.069 56.400 0.146 0.000 0.800 443 E CB -0.215 29.699 29.700 0.357 0.000 0.746 443 E HN 0.342 nan 8.360 nan 0.000 0.452 444 L N 0.453 121.706 121.223 0.050 0.000 2.046 444 L HA -0.145 4.198 4.340 0.005 0.000 0.208 444 L C 2.575 179.429 176.870 -0.028 0.000 1.077 444 L CA 0.861 55.654 54.840 -0.078 0.000 0.747 444 L CB -0.394 41.665 42.059 -0.000 0.000 0.896 444 L HN 0.083 nan 8.230 nan 0.000 0.432 445 I N -0.177 120.400 120.570 0.011 0.000 2.335 445 I HA -0.289 3.884 4.170 0.005 0.000 0.251 445 I C 2.023 178.133 176.117 -0.012 0.000 1.129 445 I CA 1.401 62.704 61.300 0.004 0.000 1.402 445 I CB -0.219 37.779 38.000 -0.003 0.000 1.069 445 I HN 0.205 nan 8.210 nan 0.000 0.424 446 K N 0.646 121.037 120.400 -0.016 0.000 2.487 446 K HA 0.131 4.454 4.320 0.005 0.000 0.192 446 K C 1.135 177.722 176.600 -0.022 0.000 1.027 446 K CA 0.639 56.918 56.287 -0.014 0.000 1.054 446 K CB 0.259 32.757 32.500 -0.003 0.000 0.824 446 K HN 0.480 nan 8.250 nan 0.000 0.510 447 G N 1.617 110.391 108.800 -0.043 0.000 2.157 447 G HA2 -0.205 3.759 3.960 0.005 0.000 0.239 447 G HA3 -0.205 3.759 3.960 0.005 0.000 0.239 447 G C -0.111 174.732 174.900 -0.096 0.000 0.982 447 G CA -0.277 44.785 45.100 -0.063 0.000 0.650 447 G HN 0.068 nan 8.290 nan 0.000 0.527 448 K N 0.664 120.997 120.400 -0.112 0.000 2.168 448 K HA 0.599 4.922 4.320 0.005 0.000 0.258 448 K C 0.897 177.254 176.600 -0.405 0.000 1.010 448 K CA 0.584 56.798 56.287 -0.122 0.000 0.929 448 K CB 0.886 33.426 32.500 0.068 0.000 0.998 448 K HN 1.657 nan 8.250 nan 0.000 0.479 449 G N 1.158 109.806 108.800 -0.254 0.000 2.722 449 G HA2 -0.190 3.773 3.960 0.005 0.000 0.686 449 G HA3 -0.190 3.773 3.960 0.005 0.000 0.686 449 G C 0.218 174.987 174.900 -0.219 0.000 1.282 449 G CA -0.610 44.283 45.100 -0.344 0.000 0.817 449 G HN 0.504 nan 8.290 nan 0.000 0.605 450 R N 0.305 120.744 120.500 -0.100 0.000 2.167 450 R HA 0.351 4.694 4.340 0.005 0.000 0.201 450 R C 1.262 177.535 176.300 -0.044 0.000 1.024 450 R CA 0.914 56.952 56.100 -0.103 0.000 1.053 450 R CB 0.493 30.741 30.300 -0.086 0.000 0.987 450 R HN 0.735 nan 8.270 nan 0.000 0.493 451 I N 0.839 121.392 120.570 -0.027 0.000 2.619 451 I HA 0.379 4.553 4.170 0.005 0.000 0.292 451 I C -1.658 174.413 176.117 -0.076 0.000 1.100 451 I CA -1.146 60.162 61.300 0.014 0.000 1.043 451 I CB 2.109 40.105 38.000 -0.008 0.000 1.239 451 I HN -0.138 nan 8.210 nan 0.000 0.420 452 M N 6.755 126.295 119.600 -0.099 0.000 2.259 452 M HA 0.499 4.982 4.480 0.005 0.000 0.304 452 M C -1.555 174.588 176.300 -0.262 0.000 1.019 452 M CA 0.019 55.167 55.300 -0.255 0.000 0.922 452 M CB 1.671 34.047 32.600 -0.374 0.000 1.600 452 M HN 0.481 nan 8.290 nan 0.000 0.433 453 T N 4.917 119.261 114.554 -0.349 0.000 2.770 453 T HA 0.410 4.763 4.350 0.005 0.000 0.283 453 T C -1.226 173.435 174.700 -0.065 0.000 0.988 453 T CA -0.286 61.749 62.100 -0.109 0.000 0.957 453 T CB 0.548 69.430 68.868 0.023 0.000 0.930 453 T HN 0.553 nan 8.240 nan 0.000 0.443 454 W N 3.525 124.921 121.300 0.160 0.000 2.322 454 W HA 0.296 4.959 4.660 0.005 0.000 0.307 454 W C -0.687 176.001 176.519 0.280 0.000 1.220 454 W CA -0.808 56.667 57.345 0.217 0.000 1.210 454 W CB 1.214 30.728 29.460 0.091 0.000 1.223 454 W HN 0.562 nan 8.180 nan 0.000 0.511 455 W N 3.845 125.370 121.300 0.374 0.000 2.463 455 W HA 0.377 5.041 4.660 0.005 0.000 0.316 455 W C 0.758 177.526 176.519 0.415 0.000 1.004 455 W CA -1.351 56.194 57.345 0.334 0.000 1.309 455 W CB 0.991 30.616 29.460 0.276 0.000 1.288 455 W HN 0.729 nan 8.180 nan 0.000 0.423 456 G N 3.164 112.367 108.800 0.672 0.000 2.198 456 G HA2 -0.197 3.766 3.960 0.005 0.000 0.260 456 G HA3 -0.197 3.766 3.960 0.005 0.000 0.260 456 G C -0.085 175.058 174.900 0.405 0.000 1.025 456 G CA 0.427 45.814 45.100 0.478 0.000 0.769 456 G HN 1.331 nan 8.290 nan 0.000 0.507 457 C N -2.322 117.222 119.300 0.407 0.000 3.321 457 C HA 0.876 5.339 4.460 0.005 0.000 0.329 457 C C -0.449 174.701 174.990 0.267 0.000 1.394 457 C CA -1.094 58.157 59.018 0.388 0.000 1.291 457 C CB 2.053 30.117 27.740 0.539 0.000 1.606 457 C HN 0.760 nan 8.230 nan 0.000 0.463 458 N N 0.271 119.079 118.700 0.179 0.000 2.707 458 N HA 0.275 5.018 4.740 0.005 0.000 0.249 458 N C -0.196 175.316 175.510 0.003 0.000 1.299 458 N CA -0.214 52.816 53.050 -0.034 0.000 0.769 458 N CB -0.129 38.342 38.487 -0.028 0.000 1.236 458 N HN 0.840 nan 8.380 nan 0.000 0.524 459 N N 0.832 119.509 118.700 -0.038 0.000 2.550 459 N HA 0.031 4.775 4.740 0.005 0.000 0.186 459 N C 0.858 176.477 175.510 0.182 0.000 1.110 459 N CA 0.436 53.591 53.050 0.175 0.000 0.912 459 N CB 0.160 38.907 38.487 0.433 0.000 0.968 459 N HN 0.442 nan 8.380 nan 0.000 0.448 460 F N 1.149 120.946 119.950 -0.254 0.000 2.171 460 F HA -0.161 4.369 4.527 0.005 0.000 0.300 460 F C 2.313 178.056 175.800 -0.095 0.000 1.090 460 F CA 0.779 58.662 58.000 -0.194 0.000 1.293 460 F CB 0.189 39.035 39.000 -0.256 0.000 1.013 460 F HN 0.136 nan 8.300 nan 0.000 0.486 461 Q N -1.223 118.640 119.800 0.104 0.000 2.384 461 Q HA -0.021 4.322 4.340 0.005 0.000 0.207 461 Q C 1.419 177.448 176.000 0.049 0.000 0.904 461 Q CA 1.300 57.119 55.803 0.026 0.000 0.933 461 Q CB 0.440 29.155 28.738 -0.038 0.000 1.077 461 Q HN 0.355 nan 8.270 nan 0.000 0.522 462 T N -4.465 110.165 114.554 0.127 0.000 3.058 462 T HA 0.264 4.617 4.350 0.005 0.000 0.278 462 T C 0.644 175.494 174.700 0.249 0.000 0.974 462 T CA -0.373 61.847 62.100 0.200 0.000 0.893 462 T CB 0.600 69.618 68.868 0.250 0.000 1.138 462 T HN -0.175 nan 8.240 nan 0.000 0.529 463 S N 3.621 119.465 115.700 0.240 0.000 2.593 463 S HA 0.371 4.845 4.470 0.005 0.000 0.269 463 S C 0.488 175.238 174.600 0.251 0.000 1.334 463 S CA -0.758 57.602 58.200 0.266 0.000 1.015 463 S CB 0.293 63.638 63.200 0.242 0.000 0.912 463 S HN 0.748 nan 8.310 nan 0.000 0.541 464 N N 1.780 120.577 118.700 0.162 0.000 2.503 464 N HA 0.042 4.785 4.740 0.005 0.000 0.267 464 N C -0.143 175.387 175.510 0.033 0.000 1.214 464 N CA -0.227 52.811 53.050 -0.020 0.000 0.959 464 N CB -0.194 38.015 38.487 -0.463 0.000 1.142 464 N HN 0.656 nan 8.380 nan 0.000 0.455 465 N N -0.964 117.741 118.700 0.009 0.000 2.727 465 N HA -0.234 4.509 4.740 0.005 0.000 0.249 465 N C 0.608 176.173 175.510 0.092 0.000 1.048 465 N CA 0.773 53.870 53.050 0.078 0.000 0.714 465 N CB -1.157 37.400 38.487 0.116 0.000 0.959 465 N HN 0.721 nan 8.380 nan 0.000 0.544 466 A N -0.157 122.704 122.820 0.069 0.000 1.972 466 A HA -0.222 4.101 4.320 0.005 0.000 0.219 466 A C 1.985 179.556 177.584 -0.021 0.000 1.169 466 A CA 2.010 54.071 52.037 0.039 0.000 0.635 466 A CB -0.401 18.618 19.000 0.032 0.000 0.810 466 A HN 0.733 nan 8.150 nan 0.000 0.446 467 Q N -0.508 119.290 119.800 -0.002 0.000 2.079 467 Q HA -0.074 4.269 4.340 0.005 0.000 0.200 467 Q C 2.116 178.098 176.000 -0.030 0.000 0.974 467 Q CA 1.581 57.364 55.803 -0.033 0.000 0.840 467 Q CB -0.367 28.373 28.738 0.004 0.000 0.898 467 Q HN 0.582 nan 8.270 nan 0.000 0.430 468 A N 0.599 123.434 122.820 0.024 0.000 1.933 468 A HA -0.154 4.169 4.320 0.005 0.000 0.218 468 A C 1.967 179.554 177.584 0.005 0.000 1.175 468 A CA 1.258 53.308 52.037 0.022 0.000 0.628 468 A CB -0.689 18.349 19.000 0.064 0.000 0.814 468 A HN 0.499 nan 8.150 nan 0.000 0.444 469 L N -0.086 121.147 121.223 0.016 0.000 1.994 469 L HA -0.126 4.217 4.340 0.005 0.000 0.208 469 L C 2.500 179.328 176.870 -0.068 0.000 1.071 469 L CA 1.958 56.822 54.840 0.040 0.000 0.745 469 L CB -0.550 41.579 42.059 0.117 0.000 0.892 469 L HN 0.324 nan 8.230 nan 0.000 0.431 470 R N -0.349 119.990 120.500 -0.270 0.000 2.091 470 R HA -0.178 4.165 4.340 0.005 0.000 0.238 470 R C 2.139 178.265 176.300 -0.290 0.000 1.136 470 R CA 1.751 57.498 56.100 -0.587 0.000 0.959 470 R CB -0.524 29.308 30.300 -0.781 0.000 0.856 470 R HN 0.555 nan 8.270 nan 0.000 0.437 471 E N 0.548 120.651 120.200 -0.161 0.000 2.049 471 E HA -0.230 4.124 4.350 0.005 0.000 0.198 471 E C 2.061 178.633 176.600 -0.045 0.000 1.007 471 E CA 1.566 57.914 56.400 -0.086 0.000 0.809 471 E CB -0.145 29.524 29.700 -0.051 0.000 0.749 471 E HN 0.381 nan 8.360 nan 0.000 0.450 472 A N 1.025 123.833 122.820 -0.020 0.000 1.897 472 A HA -0.140 4.183 4.320 0.005 0.000 0.215 472 A C 2.120 179.735 177.584 0.052 0.000 1.181 472 A CA 0.940 52.986 52.037 0.015 0.000 0.620 472 A CB -0.312 18.704 19.000 0.027 0.000 0.821 472 A HN 0.113 nan 8.150 nan 0.000 0.443 473 I N 0.010 120.638 120.570 0.097 0.000 2.315 473 I HA -0.187 3.986 4.170 0.005 0.000 0.248 473 I C 2.419 178.627 176.117 0.153 0.000 1.117 473 I CA 1.081 62.503 61.300 0.203 0.000 1.404 473 I CB -1.400 36.867 38.000 0.444 0.000 1.071 473 I HN 0.273 nan 8.210 nan 0.000 0.419 474 L N 0.034 121.307 121.223 0.082 0.000 2.046 474 L HA -0.237 4.106 4.340 0.005 0.000 0.208 474 L C 2.695 179.584 176.870 0.031 0.000 1.077 474 L CA 1.339 56.210 54.840 0.052 0.000 0.747 474 L CB -0.526 41.529 42.059 -0.007 0.000 0.896 474 L HN 0.325 nan 8.230 nan 0.000 0.432 475 Q N 0.166 119.979 119.800 0.021 0.000 2.079 475 Q HA -0.197 4.146 4.340 0.005 0.000 0.200 475 Q C 2.354 178.372 176.000 0.030 0.000 0.974 475 Q CA 1.412 57.225 55.803 0.016 0.000 0.840 475 Q CB 0.105 28.846 28.738 0.006 0.000 0.898 475 Q HN 0.415 nan 8.270 nan 0.000 0.430 476 R N -0.265 120.261 120.500 0.043 0.000 2.115 476 R HA -0.061 4.282 4.340 0.005 0.000 0.230 476 R C 2.599 178.949 176.300 0.084 0.000 1.111 476 R CA 1.211 57.339 56.100 0.046 0.000 0.976 476 R CB -0.337 29.986 30.300 0.040 0.000 0.870 476 R HN 0.185 nan 8.270 nan 0.000 0.445 477 S N 0.867 116.636 115.700 0.114 0.000 2.368 477 S HA -0.121 4.352 4.470 0.005 0.000 0.225 477 S C 2.108 176.816 174.600 0.180 0.000 1.030 477 S CA 1.165 59.479 58.200 0.190 0.000 0.999 477 S CB -0.068 63.143 63.200 0.019 0.000 0.844 477 S HN 0.417 nan 8.310 nan 0.000 0.459 478 A N 1.364 124.228 122.820 0.074 0.000 1.933 478 A HA 0.061 4.385 4.320 0.005 0.000 0.218 478 A C 2.112 179.726 177.584 0.051 0.000 1.175 478 A CA 1.370 53.435 52.037 0.047 0.000 0.628 478 A CB -0.755 18.255 19.000 0.018 0.000 0.814 478 A HN 0.637 nan 8.150 nan 0.000 0.444 479 I N -0.581 120.014 120.570 0.041 0.000 2.264 479 I HA -0.223 3.951 4.170 0.005 0.000 0.248 479 I C 2.290 178.416 176.117 0.015 0.000 1.111 479 I CA 1.056 62.368 61.300 0.021 0.000 1.382 479 I CB -0.244 37.761 38.000 0.007 0.000 1.060 479 I HN 0.161 nan 8.210 nan 0.000 0.418 480 V N 0.772 120.697 119.914 0.019 0.000 2.379 480 V HA -0.245 3.878 4.120 0.005 0.000 0.245 480 V C 2.395 178.481 176.094 -0.014 0.000 1.044 480 V CA 1.724 63.997 62.300 -0.045 0.000 1.036 480 V CB -0.533 31.156 31.823 -0.223 0.000 0.664 480 V HN 0.373 nan 8.190 nan 0.000 0.453 481 K N -0.281 120.162 120.400 0.071 0.000 2.063 481 K HA -0.251 4.073 4.320 0.005 0.000 0.208 481 K C 2.252 178.893 176.600 0.069 0.000 1.048 481 K CA 1.769 58.126 56.287 0.116 0.000 0.928 481 K CB -0.241 32.351 32.500 0.153 0.000 0.713 481 K HN 0.513 nan 8.250 nan 0.000 0.442 482 Q N 0.083 119.911 119.800 0.047 0.000 2.124 482 Q HA -0.144 4.199 4.340 0.005 0.000 0.202 482 Q C 2.147 178.157 176.000 0.017 0.000 0.977 482 Q CA 1.575 57.395 55.803 0.029 0.000 0.850 482 Q CB -0.169 28.581 28.738 0.021 0.000 0.901 482 Q HN 0.368 nan 8.270 nan 0.000 0.429 483 A N 0.484 123.310 122.820 0.010 0.000 1.930 483 A HA -0.153 4.171 4.320 0.005 0.000 0.217 483 A C 2.000 179.585 177.584 0.002 0.000 1.175 483 A CA 1.267 53.304 52.037 0.001 0.000 0.627 483 A CB -0.399 18.596 19.000 -0.008 0.000 0.815 483 A HN 0.298 nan 8.150 nan 0.000 0.443 484 M N -1.048 118.556 119.600 0.007 0.000 2.254 484 M HA -0.163 4.320 4.480 0.005 0.000 0.265 484 M C 2.215 178.517 176.300 0.003 0.000 1.066 484 M CA 1.215 56.520 55.300 0.008 0.000 1.123 484 M CB -0.338 32.276 32.600 0.023 0.000 1.388 484 M HN 0.453 nan 8.290 nan 0.000 0.425 485 Q N 0.567 120.371 119.800 0.008 0.000 2.234 485 Q HA -0.160 4.183 4.340 0.005 0.000 0.206 485 Q C 1.638 177.635 176.000 -0.005 0.000 0.980 485 Q CA 1.179 56.983 55.803 0.000 0.000 0.869 485 Q CB -0.052 28.692 28.738 0.010 0.000 0.912 485 Q HN 0.511 nan 8.270 nan 0.000 0.436 486 K N -0.100 120.298 120.400 -0.003 0.000 2.365 486 K HA 0.121 4.444 4.320 0.005 0.000 0.197 486 K C 0.603 177.198 176.600 -0.009 0.000 1.042 486 K CA 0.235 56.518 56.287 -0.006 0.000 0.987 486 K CB 0.272 32.770 32.500 -0.004 0.000 0.779 486 K HN 0.057 nan 8.250 nan 0.000 0.484 487 A N 1.920 124.734 122.820 -0.010 0.000 2.332 487 A HA 0.346 4.669 4.320 0.005 0.000 0.258 487 A C -0.137 177.437 177.584 -0.017 0.000 1.087 487 A CA -0.177 51.852 52.037 -0.013 0.000 0.802 487 A CB 0.436 19.429 19.000 -0.012 0.000 1.042 487 A HN 0.076 nan 8.150 nan 0.000 0.489 488 R N -0.130 120.359 120.500 -0.018 0.000 2.508 488 R HA 0.451 4.794 4.340 0.005 0.000 0.283 488 R C 0.336 176.623 176.300 -0.023 0.000 1.120 488 R CA 0.086 56.173 56.100 -0.021 0.000 0.958 488 R CB 1.007 31.296 30.300 -0.019 0.000 1.215 488 R HN 1.959 nan 8.270 nan 0.000 0.427 489 G N 1.302 110.086 108.800 -0.028 0.000 2.179 489 G HA2 -0.320 3.643 3.960 0.005 0.000 0.257 489 G HA3 -0.320 3.643 3.960 0.005 0.000 0.257 489 G C 0.226 175.108 174.900 -0.030 0.000 1.010 489 G CA 0.448 45.530 45.100 -0.030 0.000 0.736 489 G HN 0.844 nan 8.290 nan 0.000 0.513 490 A N 0.604 123.407 122.820 -0.027 0.000 2.450 490 A HA 0.682 5.005 4.320 0.005 0.000 0.255 490 A C 1.149 178.718 177.584 -0.026 0.000 1.096 490 A CA 0.943 52.967 52.037 -0.023 0.000 0.778 490 A CB 0.179 19.169 19.000 -0.016 0.000 1.031 490 A HN 1.716 nan 8.150 nan 0.000 0.494 491 T N 0.481 115.020 114.554 -0.024 0.000 2.766 491 T HA 0.229 4.582 4.350 0.005 0.000 0.295 491 T C 1.369 176.069 174.700 -0.001 0.000 1.024 491 T CA 0.411 62.498 62.100 -0.022 0.000 1.018 491 T CB 0.215 69.070 68.868 -0.023 0.000 1.002 491 T HN 0.537 nan 8.240 nan 0.000 0.532 492 T N 1.049 115.619 114.554 0.027 0.000 2.684 492 T HA -0.112 4.241 4.350 0.005 0.000 0.267 492 T C 1.847 176.545 174.700 -0.003 0.000 1.036 492 T CA 1.878 64.021 62.100 0.072 0.000 1.148 492 T CB -0.501 68.445 68.868 0.129 0.000 0.863 492 T HN 0.740 nan 8.240 nan 0.000 0.436 493 E N 1.244 121.428 120.200 -0.027 0.000 2.085 493 E HA -0.122 4.232 4.350 0.005 0.000 0.194 493 E C 2.242 178.808 176.600 -0.057 0.000 0.994 493 E CA 1.143 57.508 56.400 -0.058 0.000 0.801 493 E CB -0.234 29.431 29.700 -0.059 0.000 0.743 493 E HN 0.602 nan 8.360 nan 0.000 0.453 494 E N -0.454 119.723 120.200 -0.039 0.000 2.106 494 E HA -0.158 4.196 4.350 0.005 0.000 0.192 494 E C 1.865 178.445 176.600 -0.032 0.000 0.984 494 E CA 0.989 57.368 56.400 -0.035 0.000 0.806 494 E CB -0.077 29.607 29.700 -0.027 0.000 0.750 494 E HN 0.144 nan 8.360 nan 0.000 0.458 495 M N 0.456 120.041 119.600 -0.025 0.000 2.200 495 M HA -0.092 4.392 4.480 0.005 0.000 0.265 495 M C 2.019 178.282 176.300 -0.061 0.000 1.066 495 M CA 1.090 56.375 55.300 -0.024 0.000 1.127 495 M CB -0.044 32.561 32.600 0.009 0.000 1.379 495 M HN -0.073 nan 8.290 nan 0.000 0.420 496 V N 0.772 120.632 119.914 -0.089 0.000 2.282 496 V HA -0.319 3.804 4.120 0.005 0.000 0.249 496 V C 1.940 177.987 176.094 -0.079 0.000 1.057 496 V CA 2.236 64.454 62.300 -0.136 0.000 1.032 496 V CB -0.961 30.768 31.823 -0.158 0.000 0.645 496 V HN 0.418 nan 8.190 nan 0.000 0.447 497 D N -0.380 119.983 120.400 -0.063 0.000 2.144 497 D HA -0.110 4.534 4.640 0.005 0.000 0.200 497 D C 2.159 178.474 176.300 0.024 0.000 0.978 497 D CA 1.091 55.077 54.000 -0.023 0.000 0.833 497 D CB -0.283 40.491 40.800 -0.043 0.000 0.961 497 D HN 0.319 nan 8.370 nan 0.000 0.470 498 V N 1.125 121.037 119.914 -0.003 0.000 2.343 498 V HA -0.206 3.917 4.120 0.005 0.000 0.247 498 V C 2.485 178.578 176.094 -0.000 0.000 1.051 498 V CA 1.115 63.415 62.300 -0.000 0.000 1.036 498 V CB -0.268 31.549 31.823 -0.010 0.000 0.654 498 V HN 0.175 nan 8.190 nan 0.000 0.451 499 I N -1.342 119.216 120.570 -0.020 0.000 2.202 499 I HA -0.263 3.910 4.170 0.005 0.000 0.242 499 I C 2.395 178.503 176.117 -0.015 0.000 1.091 499 I CA 1.871 63.146 61.300 -0.040 0.000 1.368 499 I CB -0.421 37.505 38.000 -0.124 0.000 1.058 499 I HN 0.331 nan 8.210 nan 0.000 0.410 500 Y N 1.737 121.968 120.300 -0.114 0.000 2.165 500 Y HA -0.351 4.202 4.550 0.005 0.000 0.286 500 Y C 2.538 178.403 175.900 -0.059 0.000 1.155 500 Y CA 2.234 60.279 58.100 -0.092 0.000 1.164 500 Y CB -0.111 38.290 38.460 -0.098 0.000 0.978 500 Y HN 0.191 nan 8.280 nan 0.000 0.513 501 E N 0.050 120.302 120.200 0.086 0.000 2.077 501 E HA -0.184 4.169 4.350 0.005 0.000 0.193 501 E C 2.209 178.776 176.600 -0.055 0.000 0.989 501 E CA 1.310 57.721 56.400 0.019 0.000 0.800 501 E CB -0.423 29.302 29.700 0.041 0.000 0.746 501 E HN 0.483 nan 8.360 nan 0.000 0.452 502 A N 0.097 122.887 122.820 -0.050 0.000 1.972 502 A HA -0.190 4.134 4.320 0.005 0.000 0.219 502 A C 2.418 179.951 177.584 -0.085 0.000 1.169 502 A CA 2.152 54.157 52.037 -0.053 0.000 0.635 502 A CB -1.267 17.709 19.000 -0.040 0.000 0.810 502 A HN 0.508 nan 8.150 nan 0.000 0.446 503 T N -3.003 111.465 114.554 -0.142 0.000 3.113 503 T HA -0.055 4.298 4.350 0.005 0.000 0.263 503 T C 1.503 176.085 174.700 -0.196 0.000 1.143 503 T CA 1.071 63.065 62.100 -0.176 0.000 1.090 503 T CB -0.180 68.541 68.868 -0.245 0.000 0.922 503 T HN 0.469 nan 8.240 nan 0.000 0.521 504 Q N 1.296 120.984 119.800 -0.187 0.000 2.311 504 Q HA 0.129 4.472 4.340 0.005 0.000 0.203 504 Q C 0.687 176.637 176.000 -0.082 0.000 0.954 504 Q CA 0.630 56.349 55.803 -0.140 0.000 0.885 504 Q CB -0.029 28.647 28.738 -0.103 0.000 0.963 504 Q HN 0.592 nan 8.270 nan 0.000 0.471 505 N N -0.339 118.319 118.700 -0.070 0.000 2.458 505 N HA 0.183 4.927 4.740 0.005 0.000 0.274 505 N C 0.495 175.980 175.510 -0.041 0.000 1.242 505 N CA 0.605 53.628 53.050 -0.045 0.000 0.904 505 N CB 1.384 39.851 38.487 -0.032 0.000 1.206 505 N HN 0.312 nan 8.380 nan 0.000 0.510 506 G N -0.543 108.226 108.800 -0.052 0.000 2.195 506 G HA2 -0.227 3.736 3.960 0.005 0.000 0.246 506 G HA3 -0.227 3.736 3.960 0.005 0.000 0.246 506 G C 0.544 175.420 174.900 -0.040 0.000 0.984 506 G CA -0.146 44.928 45.100 -0.043 0.000 0.633 506 G HN 0.589 nan 8.290 nan 0.000 0.525 507 G N -0.589 108.184 108.800 -0.045 0.000 2.606 507 G HA2 0.634 4.597 3.960 0.005 0.000 0.252 507 G HA3 0.634 4.597 3.960 0.005 0.000 0.252 507 G C -0.621 174.260 174.900 -0.031 0.000 1.206 507 G CA 0.237 45.322 45.100 -0.026 0.000 0.861 507 G HN 1.216 nan 8.290 nan 0.000 0.561 508 L N 0.323 121.560 121.223 0.023 0.000 2.470 508 L HA 0.586 4.929 4.340 0.005 0.000 0.268 508 L C -1.207 175.752 176.870 0.149 0.000 0.964 508 L CA -0.910 53.953 54.840 0.039 0.000 0.839 508 L CB 1.806 43.878 42.059 0.023 0.000 1.276 508 L HN 0.483 nan 8.230 nan 0.000 0.403 509 F N 5.541 125.483 119.950 -0.012 0.000 2.427 509 F HA 0.653 5.183 4.527 0.006 0.000 0.352 509 F C -0.571 175.350 175.800 0.202 0.000 1.100 509 F CA -0.122 57.908 58.000 0.050 0.000 1.191 509 F CB 1.012 39.981 39.000 -0.053 0.000 1.128 509 F HN 0.256 nan 8.300 nan 0.000 0.533 510 V N 5.347 125.193 119.914 -0.113 0.000 2.448 510 V HA 0.426 4.549 4.120 0.005 0.000 0.295 510 V C -0.299 175.660 176.094 -0.226 0.000 1.025 510 V CA -0.530 61.716 62.300 -0.090 0.000 0.859 510 V CB 1.837 33.649 31.823 -0.018 0.000 0.988 510 V HN 0.848 nan 8.190 nan 0.000 0.431 511 T N 3.049 117.603 114.554 -0.001 0.000 2.863 511 T HA 0.529 4.882 4.350 0.005 0.000 0.285 511 T C -0.435 174.311 174.700 0.078 0.000 1.009 511 T CA -0.474 61.647 62.100 0.036 0.000 0.989 511 T CB 1.724 70.706 68.868 0.190 0.000 1.004 511 T HN 0.637 nan 8.240 nan 0.000 0.455 512 S N 2.145 117.849 115.700 0.006 0.000 2.502 512 S HA 0.709 5.183 4.470 0.005 0.000 0.304 512 S C -0.929 173.600 174.600 -0.117 0.000 1.097 512 S CA -0.766 57.447 58.200 0.021 0.000 1.045 512 S CB 0.258 63.453 63.200 -0.009 0.000 1.019 512 S HN 0.579 nan 8.310 nan 0.000 0.481 513 I N 5.254 125.729 120.570 -0.157 0.000 2.382 513 I HA 0.500 4.674 4.170 0.005 0.000 0.286 513 I C 0.081 176.163 176.117 -0.060 0.000 1.002 513 I CA -0.529 60.597 61.300 -0.289 0.000 1.135 513 I CB 1.321 38.815 38.000 -0.843 0.000 1.288 513 I HN 0.598 nan 8.210 nan 0.000 0.448 514 N N 4.589 123.254 118.700 -0.059 0.000 3.106 514 N HA 0.410 5.153 4.740 0.005 0.000 0.253 514 N C -0.008 175.439 175.510 -0.106 0.000 1.506 514 N CA -0.560 52.470 53.050 -0.033 0.000 0.876 514 N CB 1.922 40.387 38.487 -0.036 0.000 1.452 514 N HN 0.379 nan 8.380 nan 0.000 0.542 515 L N 0.088 121.215 121.223 -0.160 0.000 2.307 515 L HA 0.231 4.574 4.340 0.005 0.000 0.211 515 L C -0.073 176.453 176.870 -0.573 0.000 1.099 515 L CA 0.711 55.328 54.840 -0.372 0.000 0.816 515 L CB -0.047 41.751 42.059 -0.434 0.000 0.952 515 L HN 0.430 nan 8.230 nan 0.000 0.455 516 Y N -2.016 118.256 120.300 -0.047 0.000 2.638 516 Y HA 0.304 4.857 4.550 0.006 0.000 0.339 516 Y C -1.761 174.089 175.900 -0.084 0.000 1.084 516 Y CA -1.793 56.296 58.100 -0.018 0.000 1.068 516 Y CB 0.801 39.325 38.460 0.107 0.000 1.294 516 Y HN -0.324 nan 8.280 nan 0.000 0.480 517 P HA -0.108 nan 4.420 nan 0.000 0.215 517 P C 0.178 177.421 177.300 -0.094 0.000 1.157 517 P CA 2.400 65.431 63.100 -0.114 0.000 0.863 517 P CB -0.057 31.541 31.700 -0.169 0.000 0.787 518 T N -2.955 111.588 114.554 -0.019 0.000 0.541 518 T HA -0.250 4.103 4.350 0.005 0.000 0.774 518 T C 0.928 175.566 174.700 -0.104 0.000 0.992 518 T CA 1.004 63.066 62.100 -0.063 0.000 4.077 518 T CB -1.315 67.507 68.868 -0.075 0.000 2.303 518 T HN 0.176 nan 8.240 nan 0.000 0.398 519 K N 0.482 120.826 120.400 -0.093 0.000 2.280 519 K HA 0.078 4.401 4.320 0.005 0.000 0.202 519 K C 2.304 178.833 176.600 -0.119 0.000 1.047 519 K CA 1.572 57.838 56.287 -0.036 0.000 0.942 519 K CB -0.442 32.094 32.500 0.060 0.000 0.739 519 K HN 0.543 nan 8.250 nan 0.000 0.457 520 L N 0.422 121.431 121.223 -0.356 0.000 2.261 520 L HA -0.184 4.159 4.340 0.005 0.000 0.216 520 L C 2.355 179.012 176.870 -0.356 0.000 1.114 520 L CA 0.735 55.159 54.840 -0.694 0.000 0.777 520 L CB -0.558 41.122 42.059 -0.632 0.000 0.910 520 L HN 0.190 nan 8.230 nan 0.000 0.440 521 A N -0.185 122.524 122.820 -0.185 0.000 2.178 521 A HA -0.183 4.140 4.320 0.005 0.000 0.218 521 A C 2.080 179.736 177.584 0.120 0.000 1.157 521 A CA 1.229 53.241 52.037 -0.042 0.000 0.689 521 A CB -0.346 18.516 19.000 -0.230 0.000 0.787 521 A HN 0.498 nan 8.150 nan 0.000 0.465 522 E N -0.776 119.442 120.200 0.030 0.000 2.274 522 E HA 0.020 4.374 4.350 0.005 0.000 0.194 522 E C 1.744 178.330 176.600 -0.024 0.000 0.996 522 E CA 0.819 57.253 56.400 0.057 0.000 0.840 522 E CB -0.066 29.703 29.700 0.115 0.000 0.772 522 E HN 0.648 nan 8.360 nan 0.000 0.491 523 A N 0.720 123.496 122.820 -0.073 0.000 2.226 523 A HA 0.477 4.800 4.320 0.005 0.000 0.207 523 A C 1.058 178.394 177.584 -0.413 0.000 1.293 523 A CA 0.117 52.052 52.037 -0.169 0.000 0.968 523 A CB 0.434 19.462 19.000 0.047 0.000 1.044 523 A HN 0.170 nan 8.150 nan 0.000 0.493 524 A N -0.252 122.402 122.820 -0.275 0.000 2.425 524 A HA 0.435 4.759 4.320 0.005 0.000 0.242 524 A C 0.435 177.738 177.584 -0.469 0.000 1.077 524 A CA 0.327 52.192 52.037 -0.287 0.000 0.781 524 A CB -0.154 18.848 19.000 0.003 0.000 1.020 524 A HN 0.574 nan 8.150 nan 0.000 0.494 525 H N -0.169 118.750 119.070 -0.251 0.000 2.750 525 H HA 0.404 4.964 4.556 0.005 0.000 0.263 525 H C -0.445 174.820 175.328 -0.105 0.000 0.964 525 H CA 0.242 56.103 56.048 -0.313 0.000 1.205 525 H CB 0.625 30.026 29.762 -0.603 0.000 1.454 525 H HN 0.389 nan 8.280 nan 0.000 0.503 526 L N 1.037 122.284 121.223 0.040 0.000 2.493 526 L HA 0.453 4.797 4.340 0.005 0.000 0.265 526 L C -1.862 175.053 176.870 0.075 0.000 0.954 526 L CA -0.643 54.285 54.840 0.146 0.000 0.844 526 L CB 1.703 43.871 42.059 0.182 0.000 1.302 526 L HN -0.006 nan 8.230 nan 0.000 0.405 527 M N 6.028 125.653 119.600 0.042 0.000 2.393 527 M HA 0.561 5.044 4.480 0.005 0.000 0.316 527 M C -1.369 174.792 176.300 -0.231 0.000 1.087 527 M CA -0.530 54.702 55.300 -0.113 0.000 0.937 527 M CB 2.188 34.684 32.600 -0.173 0.000 1.668 527 M HN 0.417 nan 8.290 nan 0.000 0.438 528 L N 4.549 125.601 121.223 -0.285 0.000 2.346 528 L HA 0.628 4.972 4.340 0.005 0.000 0.276 528 L C -2.272 174.470 176.870 -0.214 0.000 1.006 528 L CA -1.914 52.696 54.840 -0.382 0.000 0.817 528 L CB 2.147 43.959 42.059 -0.412 0.000 1.272 528 L HN 0.362 nan 8.230 nan 0.000 0.421 529 P HA 0.276 nan 4.420 nan 0.000 0.287 529 P C -1.014 176.330 177.300 0.074 0.000 1.294 529 P CA -0.171 62.904 63.100 -0.042 0.000 0.776 529 P CB 1.842 33.517 31.700 -0.041 0.000 0.889 530 A N 3.604 126.423 122.820 -0.001 0.000 2.261 530 A HA 0.834 5.157 4.320 0.005 0.000 0.323 530 A C -0.430 177.137 177.584 -0.028 0.000 1.107 530 A CA -0.657 51.408 52.037 0.045 0.000 0.883 530 A CB 1.000 20.049 19.000 0.082 0.000 1.251 530 A HN 0.578 nan 8.150 nan 0.000 0.502 531 A N -0.099 122.722 122.820 0.002 0.000 2.374 531 A HA 0.719 5.043 4.320 0.005 0.000 0.317 531 A C -0.276 177.325 177.584 0.028 0.000 1.094 531 A CA -0.459 51.557 52.037 -0.035 0.000 0.765 531 A CB 0.472 19.464 19.000 -0.013 0.000 1.268 531 A HN 1.213 nan 8.150 nan 0.000 0.438 532 H N -0.197 118.847 119.070 -0.043 0.000 2.630 532 H HA 0.682 5.241 4.556 0.005 0.000 0.343 532 H C -2.755 172.473 175.328 -0.166 0.000 1.232 532 H CA -2.665 53.320 56.048 -0.105 0.000 1.294 532 H CB 0.965 30.714 29.762 -0.023 0.000 1.746 532 H HN 0.314 nan 8.280 nan 0.000 0.593 533 P HA -0.005 nan 4.420 nan 0.000 0.262 533 P C 0.831 178.106 177.300 -0.041 0.000 1.182 533 P CA 2.025 64.974 63.100 -0.253 0.000 0.761 533 P CB 0.722 32.170 31.700 -0.420 0.000 0.795 534 G N 2.950 111.748 108.800 -0.004 0.000 2.349 534 G HA2 -0.244 3.719 3.960 0.005 0.000 0.213 534 G HA3 -0.244 3.719 3.960 0.005 0.000 0.213 534 G C 0.915 175.577 174.900 -0.397 0.000 1.044 534 G CA -0.098 44.963 45.100 -0.065 0.000 0.633 534 G HN 0.526 nan 8.290 nan 0.000 0.506 535 E N 0.378 120.486 120.200 -0.153 0.000 2.447 535 E HA 0.377 4.730 4.350 0.005 0.000 0.195 535 E C 1.180 177.720 176.600 -0.100 0.000 1.028 535 E CA 0.947 57.258 56.400 -0.148 0.000 0.876 535 E CB 0.115 29.794 29.700 -0.035 0.000 0.885 535 E HN 0.771 nan 8.360 nan 0.000 0.500 536 M N -1.311 118.247 119.600 -0.071 0.000 2.644 536 M HA 0.449 4.932 4.480 0.005 0.000 0.273 536 M C -1.320 174.945 176.300 -0.058 0.000 1.253 536 M CA -1.118 54.156 55.300 -0.044 0.000 0.852 536 M CB 1.586 34.177 32.600 -0.016 0.000 1.708 536 M HN -0.369 nan 8.290 nan 0.000 0.471 537 N N 1.271 119.945 118.700 -0.044 0.000 2.503 537 N HA 0.756 5.499 4.740 0.005 0.000 0.267 537 N C -1.402 174.024 175.510 -0.140 0.000 1.214 537 N CA -0.185 52.793 53.050 -0.121 0.000 0.959 537 N CB 1.817 40.245 38.487 -0.098 0.000 1.142 537 N HN 0.739 nan 8.380 nan 0.000 0.455 538 L N 0.025 121.101 121.223 -0.246 0.000 2.592 538 L HA 0.364 4.707 4.340 0.005 0.000 0.258 538 L C -0.935 175.780 176.870 -0.258 0.000 0.926 538 L CA -0.480 54.243 54.840 -0.195 0.000 0.885 538 L CB 2.029 43.995 42.059 -0.155 0.000 1.380 538 L HN 0.661 nan 8.230 nan 0.000 0.415 539 T N 0.178 114.618 114.554 -0.189 0.000 2.885 539 T HA 0.914 5.267 4.350 0.005 0.000 0.285 539 T C -0.424 174.291 174.700 0.026 0.000 1.019 539 T CA -0.634 61.386 62.100 -0.134 0.000 1.010 539 T CB 1.882 70.600 68.868 -0.251 0.000 1.022 539 T HN 0.604 nan 8.240 nan 0.000 0.466 540 S N 0.916 116.643 115.700 0.045 0.000 2.615 540 S HA 0.656 5.129 4.470 0.005 0.000 0.268 540 S C -1.197 173.467 174.600 0.106 0.000 1.146 540 S CA -1.068 57.093 58.200 -0.064 0.000 0.818 540 S CB 1.482 64.614 63.200 -0.114 0.000 1.111 540 S HN 1.121 nan 8.310 nan 0.000 0.465 541 M N 1.402 121.063 119.600 0.101 0.000 2.690 541 M HA 0.735 5.218 4.480 0.005 0.000 0.302 541 M C -0.539 175.797 176.300 0.060 0.000 1.234 541 M CA -0.813 54.562 55.300 0.125 0.000 0.853 541 M CB 1.575 34.313 32.600 0.231 0.000 1.748 541 M HN 0.676 nan 8.290 nan 0.000 0.469 542 N N 0.719 119.423 118.700 0.006 0.000 2.593 542 N HA 0.409 5.153 4.740 0.005 0.000 0.304 542 N C 0.776 176.262 175.510 -0.041 0.000 1.296 542 N CA -0.118 52.928 53.050 -0.007 0.000 0.950 542 N CB -0.327 38.132 38.487 -0.046 0.000 1.127 542 N HN 0.930 nan 8.380 nan 0.000 0.587 543 G N -1.705 107.088 108.800 -0.013 0.000 2.776 543 G HA2 -0.100 3.864 3.960 0.005 0.000 0.209 543 G HA3 -0.100 3.864 3.960 0.005 0.000 0.209 543 G C 0.247 175.055 174.900 -0.153 0.000 1.145 543 G CA 0.461 45.584 45.100 0.038 0.000 0.791 543 G HN 0.798 nan 8.290 nan 0.000 0.530 544 E N -0.713 119.189 120.200 -0.496 0.000 2.789 544 E HA 0.324 4.677 4.350 0.005 0.000 0.208 544 E C 0.624 177.078 176.600 -0.242 0.000 0.988 544 E CA -0.846 55.288 56.400 -0.444 0.000 1.092 544 E CB 0.134 29.367 29.700 -0.777 0.000 1.066 544 E HN 0.230 nan 8.360 nan 0.000 0.465 545 R N 0.685 121.105 120.500 -0.133 0.000 3.878 545 R HA -0.190 4.153 4.340 0.005 0.000 0.330 545 R C -0.048 176.241 176.300 -0.018 0.000 1.186 545 R CA 0.692 56.780 56.100 -0.021 0.000 0.885 545 R CB -1.958 28.341 30.300 -0.002 0.000 1.377 545 R HN 0.245 nan 8.270 nan 0.000 0.523 546 R N 1.797 122.248 120.500 -0.082 0.000 2.220 546 R HA 0.309 4.652 4.340 0.005 0.000 0.340 546 R C -0.014 176.287 176.300 0.003 0.000 1.076 546 R CA -0.243 55.820 56.100 -0.063 0.000 0.920 546 R CB 0.455 30.674 30.300 -0.133 0.000 1.062 546 R HN 0.230 nan 8.270 nan 0.000 0.469 547 I N 4.363 124.961 120.570 0.047 0.000 2.395 547 I HA 0.275 4.448 4.170 0.005 0.000 0.289 547 I C -0.620 175.495 176.117 -0.003 0.000 1.023 547 I CA -0.365 60.980 61.300 0.075 0.000 1.350 547 I CB 0.420 38.484 38.000 0.107 0.000 1.409 547 I HN 0.620 nan 8.210 nan 0.000 0.507 548 R N 5.470 125.952 120.500 -0.030 0.000 2.837 548 R HA 0.567 4.910 4.340 0.005 0.000 0.271 548 R C -1.611 174.593 176.300 -0.160 0.000 0.993 548 R CA -0.714 55.335 56.100 -0.085 0.000 0.931 548 R CB 1.705 31.964 30.300 -0.067 0.000 1.206 548 R HN 0.552 nan 8.270 nan 0.000 0.474 549 L N 0.528 121.618 121.223 -0.221 0.000 2.282 549 L HA 0.561 4.905 4.340 0.005 0.000 0.288 549 L C -0.855 175.868 176.870 -0.245 0.000 1.033 549 L CA 0.301 54.934 54.840 -0.345 0.000 0.807 549 L CB 1.763 43.543 42.059 -0.465 0.000 1.209 549 L HN 0.523 nan 8.230 nan 0.000 0.423 550 S N 4.037 119.596 115.700 -0.235 0.000 2.438 550 S HA 0.405 4.879 4.470 0.005 0.000 0.293 550 S C -0.481 174.025 174.600 -0.156 0.000 1.141 550 S CA -0.588 57.526 58.200 -0.144 0.000 1.080 550 S CB 0.505 63.634 63.200 -0.118 0.000 0.978 550 S HN 0.647 nan 8.310 nan 0.000 0.479 551 E N 2.041 122.193 120.200 -0.080 0.000 2.266 551 E HA 0.198 4.552 4.350 0.005 0.000 0.277 551 E C -0.190 176.438 176.600 0.047 0.000 1.018 551 E CA -0.670 55.697 56.400 -0.054 0.000 0.840 551 E CB 1.086 30.768 29.700 -0.030 0.000 1.082 551 E HN 0.404 nan 8.360 nan 0.000 0.395 552 K N 2.313 122.711 120.400 -0.002 0.000 2.382 552 K HA 0.051 4.375 4.320 0.005 0.000 0.275 552 K C -0.226 176.406 176.600 0.052 0.000 1.009 552 K CA 0.167 56.440 56.287 -0.023 0.000 0.970 552 K CB 0.301 32.767 32.500 -0.056 0.000 0.934 552 K HN 0.612 nan 8.250 nan 0.000 0.479 553 F N 2.140 122.062 119.950 -0.048 0.000 2.974 553 F HA 0.260 4.791 4.527 0.005 0.000 0.357 553 F C -0.467 175.282 175.800 -0.085 0.000 1.114 553 F CA -0.853 57.108 58.000 -0.066 0.000 1.099 553 F CB 0.128 39.096 39.000 -0.054 0.000 1.205 553 F HN 0.392 nan 8.300 nan 0.000 0.535 554 M N -0.570 118.633 119.600 -0.662 0.000 2.813 554 M HA 0.571 5.054 4.480 0.005 0.000 0.270 554 M C -1.917 174.165 176.300 -0.363 0.000 1.267 554 M CA -0.852 54.163 55.300 -0.475 0.000 0.822 554 M CB 1.943 34.212 32.600 -0.552 0.000 1.671 554 M HN -0.255 nan 8.290 nan 0.000 0.468 555 D N 1.947 122.160 120.400 -0.311 0.000 2.264 555 D HA 0.564 5.207 4.640 0.005 0.000 0.249 555 D C -2.487 173.648 176.300 -0.275 0.000 1.070 555 D CA -0.867 52.895 54.000 -0.397 0.000 0.912 555 D CB 1.178 41.480 40.800 -0.830 0.000 1.193 555 D HN 0.335 nan 8.370 nan 0.000 0.427 556 P HA 0.213 nan 4.420 nan 0.000 0.274 556 P C -2.508 174.723 177.300 -0.115 0.000 1.237 556 P CA -1.286 61.737 63.100 -0.129 0.000 0.793 556 P CB -0.187 31.469 31.700 -0.074 0.000 0.977 557 P HA 0.005 nan 4.420 nan 0.000 0.268 557 P C 0.854 178.032 177.300 -0.203 0.000 1.205 557 P CA 0.764 63.490 63.100 -0.624 0.000 0.771 557 P CB 0.184 31.049 31.700 -1.392 0.000 0.858 558 G N 3.785 112.543 108.800 -0.070 0.000 2.672 558 G HA2 -0.341 3.622 3.960 0.005 0.000 0.324 558 G HA3 -0.341 3.622 3.960 0.005 0.000 0.324 558 G C 0.717 175.609 174.900 -0.014 0.000 1.286 558 G CA 1.332 46.399 45.100 -0.055 0.000 1.004 558 G HN 0.764 nan 8.290 nan 0.000 0.548 559 T N -1.248 113.338 114.554 0.053 0.000 3.214 559 T HA 0.702 5.056 4.350 0.005 0.000 0.264 559 T C 0.860 175.688 174.700 0.212 0.000 1.012 559 T CA 1.130 63.311 62.100 0.136 0.000 0.901 559 T CB 0.151 69.199 68.868 0.299 0.000 1.070 559 T HN 1.900 nan 8.240 nan 0.000 0.561 560 A N 1.866 124.754 122.820 0.113 0.000 2.520 560 A HA 0.606 4.929 4.320 0.005 0.000 0.235 560 A C 0.061 177.685 177.584 0.067 0.000 1.065 560 A CA -0.210 51.886 52.037 0.097 0.000 0.764 560 A CB 0.039 19.008 19.000 -0.052 0.000 1.002 560 A HN 0.751 nan 8.150 nan 0.000 0.502 561 M N 1.727 121.381 119.600 0.090 0.000 2.550 561 M HA 0.613 5.097 4.480 0.005 0.000 0.292 561 M C 0.000 176.349 176.300 0.081 0.000 1.221 561 M CA -0.583 54.738 55.300 0.034 0.000 0.873 561 M CB 1.994 34.551 32.600 -0.071 0.000 1.727 561 M HN 0.996 nan 8.290 nan 0.000 0.459 562 A N 2.267 125.131 122.820 0.073 0.000 2.565 562 A HA 0.051 4.374 4.320 0.005 0.000 0.237 562 A C 0.567 178.269 177.584 0.197 0.000 1.053 562 A CA 0.252 52.353 52.037 0.107 0.000 0.755 562 A CB -0.123 18.935 19.000 0.096 0.000 0.980 562 A HN 0.997 nan 8.150 nan 0.000 0.506 563 D N 1.473 122.018 120.400 0.241 0.000 2.133 563 D HA -0.210 4.433 4.640 0.005 0.000 0.195 563 D C 2.096 178.655 176.300 0.430 0.000 0.997 563 D CA 2.182 56.444 54.000 0.437 0.000 0.840 563 D CB -0.386 40.684 40.800 0.449 0.000 0.947 563 D HN 0.856 nan 8.370 nan 0.000 0.452 564 C N 0.286 119.774 119.300 0.313 0.000 2.419 564 C HA 0.000 4.464 4.460 0.005 0.000 0.281 564 C C 2.779 178.070 174.990 0.501 0.000 1.336 564 C CA -0.095 59.157 59.018 0.389 0.000 1.770 564 C CB -1.522 26.403 27.740 0.308 0.000 1.929 564 C HN 0.232 nan 8.230 nan 0.000 0.509 565 L N 0.328 121.771 121.223 0.366 0.000 2.270 565 L HA 0.107 4.450 4.340 0.005 0.000 0.210 565 L C 2.756 179.747 176.870 0.201 0.000 1.104 565 L CA 0.923 55.941 54.840 0.297 0.000 0.804 565 L CB -0.443 41.721 42.059 0.175 0.000 0.937 565 L HN 0.291 nan 8.230 nan 0.000 0.450 566 I N 0.289 121.011 120.570 0.254 0.000 2.252 566 I HA -0.234 3.939 4.170 0.005 0.000 0.245 566 I C 2.830 179.131 176.117 0.307 0.000 1.102 566 I CA 1.088 62.537 61.300 0.248 0.000 1.385 566 I CB -0.380 37.827 38.000 0.345 0.000 1.064 566 I HN 0.182 nan 8.210 nan 0.000 0.414 567 A N 0.911 124.010 122.820 0.465 0.000 1.902 567 A HA -0.174 4.149 4.320 0.005 0.000 0.217 567 A C 2.556 180.135 177.584 -0.007 0.000 1.181 567 A CA 1.895 54.148 52.037 0.360 0.000 0.623 567 A CB -0.802 18.377 19.000 0.299 0.000 0.818 567 A HN 0.427 nan 8.150 nan 0.000 0.443 568 A N -0.299 122.564 122.820 0.072 0.000 1.902 568 A HA -0.166 4.158 4.320 0.005 0.000 0.217 568 A C 2.200 179.702 177.584 -0.137 0.000 1.181 568 A CA 1.983 53.947 52.037 -0.122 0.000 0.623 568 A CB -0.470 18.580 19.000 0.083 0.000 0.818 568 A HN 0.529 nan 8.150 nan 0.000 0.443 569 R N -0.142 120.339 120.500 -0.032 0.000 2.083 569 R HA -0.088 4.255 4.340 0.005 0.000 0.237 569 R C 1.869 178.151 176.300 -0.030 0.000 1.137 569 R CA 1.896 57.972 56.100 -0.039 0.000 0.951 569 R CB -0.527 29.741 30.300 -0.054 0.000 0.851 569 R HN 0.563 nan 8.270 nan 0.000 0.434 570 I N 0.221 120.792 120.570 0.002 0.000 2.179 570 I HA -0.253 3.920 4.170 0.005 0.000 0.242 570 I C 2.453 178.515 176.117 -0.091 0.000 1.088 570 I CA 1.376 62.697 61.300 0.036 0.000 1.357 570 I CB -0.420 37.684 38.000 0.174 0.000 1.051 570 I HN 0.328 nan 8.210 nan 0.000 0.409 571 A N 0.881 123.543 122.820 -0.264 0.000 1.902 571 A HA -0.213 4.111 4.320 0.005 0.000 0.217 571 A C 2.074 179.539 177.584 -0.198 0.000 1.181 571 A CA 1.913 53.752 52.037 -0.329 0.000 0.623 571 A CB -0.677 17.580 19.000 -1.239 0.000 0.818 571 A HN 0.427 nan 8.150 nan 0.000 0.443 572 N N 0.266 118.859 118.700 -0.179 0.000 2.244 572 N HA -0.062 4.681 4.740 0.005 0.000 0.183 572 N C 1.849 177.305 175.510 -0.091 0.000 1.016 572 N CA 1.335 54.336 53.050 -0.083 0.000 0.866 572 N CB -0.450 38.003 38.487 -0.057 0.000 0.980 572 N HN 0.486 nan 8.380 nan 0.000 0.430 573 A N 1.125 123.882 122.820 -0.106 0.000 1.898 573 A HA -0.016 4.308 4.320 0.005 0.000 0.216 573 A C 2.380 179.848 177.584 -0.193 0.000 1.181 573 A CA 0.774 52.748 52.037 -0.105 0.000 0.620 573 A CB -0.619 18.348 19.000 -0.056 0.000 0.819 573 A HN 0.172 nan 8.150 nan 0.000 0.442 574 L N -1.128 119.904 121.223 -0.318 0.000 2.056 574 L HA -0.148 4.195 4.340 0.005 0.000 0.207 574 L C 2.766 179.395 176.870 -0.402 0.000 1.078 574 L CA 1.673 56.179 54.840 -0.557 0.000 0.749 574 L CB -0.389 40.979 42.059 -1.152 0.000 0.901 574 L HN 0.460 nan 8.230 nan 0.000 0.433 575 R N 0.321 120.676 120.500 -0.241 0.000 2.083 575 R HA -0.245 4.099 4.340 0.005 0.000 0.237 575 R C 1.972 178.288 176.300 0.026 0.000 1.137 575 R CA 2.254 58.376 56.100 0.036 0.000 0.951 575 R CB -0.270 30.104 30.300 0.123 0.000 0.851 575 R HN 0.304 nan 8.270 nan 0.000 0.434 576 D N -0.325 120.052 120.400 -0.037 0.000 2.117 576 D HA -0.175 4.469 4.640 0.005 0.000 0.197 576 D C 1.966 178.227 176.300 -0.065 0.000 0.987 576 D CA 1.652 55.631 54.000 -0.035 0.000 0.829 576 D CB 0.066 40.840 40.800 -0.044 0.000 0.961 576 D HN 0.264 nan 8.370 nan 0.000 0.460 577 M N -0.980 118.531 119.600 -0.147 0.000 2.117 577 M HA -0.157 4.326 4.480 0.005 0.000 0.262 577 M C 1.812 177.980 176.300 -0.221 0.000 1.065 577 M CA 1.143 56.307 55.300 -0.226 0.000 1.114 577 M CB -0.327 32.049 32.600 -0.375 0.000 1.361 577 M HN 0.164 nan 8.290 nan 0.000 0.408 578 Y N 0.695 120.936 120.300 -0.097 0.000 2.242 578 Y HA -0.207 4.346 4.550 0.005 0.000 0.291 578 Y C 2.535 178.424 175.900 -0.019 0.000 1.137 578 Y CA 1.377 59.449 58.100 -0.047 0.000 1.181 578 Y CB -0.581 37.875 38.460 -0.007 0.000 0.989 578 Y HN 0.301 nan 8.280 nan 0.000 0.527 579 Q N 0.001 119.876 119.800 0.126 0.000 2.084 579 Q HA -0.207 4.136 4.340 0.005 0.000 0.202 579 Q C 2.079 178.102 176.000 0.038 0.000 0.978 579 Q CA 1.527 57.377 55.803 0.078 0.000 0.844 579 Q CB -0.159 28.611 28.738 0.054 0.000 0.898 579 Q HN 0.427 nan 8.270 nan 0.000 0.426 580 K N 0.369 120.772 120.400 0.005 0.000 2.211 580 K HA -0.143 4.180 4.320 0.005 0.000 0.203 580 K C 1.133 177.724 176.600 -0.014 0.000 1.050 580 K CA 1.107 57.386 56.287 -0.014 0.000 0.945 580 K CB 0.067 32.544 32.500 -0.038 0.000 0.732 580 K HN 0.063 nan 8.250 nan 0.000 0.451 581 D N -0.312 120.081 120.400 -0.012 0.000 2.328 581 D HA 0.036 4.679 4.640 0.005 0.000 0.226 581 D C 0.365 176.686 176.300 0.034 0.000 1.066 581 D CA 0.377 54.374 54.000 -0.005 0.000 0.861 581 D CB 0.115 40.895 40.800 -0.034 0.000 0.912 581 D HN 0.296 nan 8.370 nan 0.000 0.521 582 G N 1.499 110.324 108.800 0.042 0.000 2.273 582 G HA2 -0.331 3.632 3.960 0.005 0.000 0.280 582 G HA3 -0.331 3.632 3.960 0.005 0.000 0.280 582 G C 0.168 175.106 174.900 0.063 0.000 1.047 582 G CA 0.162 45.288 45.100 0.044 0.000 0.869 582 G HN 0.391 nan 8.290 nan 0.000 0.502 583 K N -0.064 120.401 120.400 0.108 0.000 2.499 583 K HA 0.590 4.913 4.320 0.005 0.000 0.215 583 K C 1.460 178.107 176.600 0.078 0.000 1.041 583 K CA 0.034 56.386 56.287 0.109 0.000 1.031 583 K CB 0.944 33.578 32.500 0.224 0.000 1.479 583 K HN 0.279 nan 8.250 nan 0.000 0.518 584 A N 2.331 125.177 122.820 0.044 0.000 1.930 584 A HA -0.158 4.165 4.320 0.005 0.000 0.217 584 A C 1.819 179.406 177.584 0.005 0.000 1.175 584 A CA 1.319 53.376 52.037 0.033 0.000 0.627 584 A CB -0.053 18.962 19.000 0.024 0.000 0.815 584 A HN 0.665 nan 8.150 nan 0.000 0.443 585 E N -0.844 119.344 120.200 -0.021 0.000 2.047 585 E HA -0.166 4.187 4.350 0.005 0.000 0.191 585 E C 2.071 178.611 176.600 -0.100 0.000 0.987 585 E CA 1.288 57.658 56.400 -0.049 0.000 0.799 585 E CB -0.232 29.437 29.700 -0.051 0.000 0.752 585 E HN 0.451 nan 8.360 nan 0.000 0.449 586 M N 0.286 119.778 119.600 -0.180 0.000 2.117 586 M HA -0.103 4.381 4.480 0.005 0.000 0.262 586 M C 2.455 178.635 176.300 -0.201 0.000 1.065 586 M CA 1.169 56.231 55.300 -0.396 0.000 1.114 586 M CB -1.087 30.903 32.600 -1.016 0.000 1.361 586 M HN 0.090 nan 8.290 nan 0.000 0.408 587 A N 0.206 123.011 122.820 -0.025 0.000 1.940 587 A HA -0.027 4.296 4.320 0.005 0.000 0.219 587 A C 2.399 180.089 177.584 0.178 0.000 1.176 587 A CA 2.049 54.204 52.037 0.196 0.000 0.631 587 A CB -0.870 18.232 19.000 0.169 0.000 0.814 587 A HN 0.495 nan 8.150 nan 0.000 0.446 588 A N -0.711 122.145 122.820 0.059 0.000 2.019 588 A HA -0.198 4.125 4.320 0.005 0.000 0.219 588 A C 2.029 179.598 177.584 -0.024 0.000 1.164 588 A CA 1.513 53.565 52.037 0.026 0.000 0.644 588 A CB -0.512 18.485 19.000 -0.006 0.000 0.805 588 A HN 0.681 nan 8.150 nan 0.000 0.449 589 Q N -1.627 118.105 119.800 -0.113 0.000 2.291 589 Q HA -0.096 4.247 4.340 0.005 0.000 0.206 589 Q C 0.507 176.244 176.000 -0.438 0.000 0.976 589 Q CA 1.086 56.694 55.803 -0.327 0.000 0.875 589 Q CB -0.172 28.241 28.738 -0.543 0.000 0.927 589 Q HN 0.798 nan 8.270 nan 0.000 0.450 590 F N 0.819 120.793 119.950 0.040 0.000 2.645 590 F HA 0.180 4.710 4.527 0.005 0.000 0.300 590 F C 0.511 176.407 175.800 0.159 0.000 1.115 590 F CA -0.223 57.833 58.000 0.093 0.000 1.355 590 F CB 0.263 39.283 39.000 0.032 0.000 1.026 590 F HN -0.091 nan 8.300 nan 0.000 0.536 591 E N -0.234 120.079 120.200 0.188 0.000 2.369 591 E HA 0.431 4.785 4.350 0.005 0.000 0.255 591 E C 1.164 177.819 176.600 0.091 0.000 1.172 591 E CA 0.362 56.844 56.400 0.138 0.000 0.932 591 E CB 0.498 30.237 29.700 0.065 0.000 1.040 591 E HN 0.253 nan 8.360 nan 0.000 0.454 592 G N 0.641 109.441 108.800 0.000 0.000 2.131 592 G HA2 -0.258 3.705 3.960 0.005 0.000 0.223 592 G HA3 -0.258 3.705 3.960 0.005 0.000 0.223 592 G C 0.034 174.600 174.900 -0.556 0.000 0.990 592 G CA -0.226 44.773 45.100 -0.169 0.000 0.671 592 G HN 0.399 nan 8.290 nan 0.000 0.521 593 F N 0.662 120.324 119.950 -0.480 0.000 2.850 593 F HA 0.341 4.871 4.527 0.005 0.000 0.329 593 F C 0.699 176.042 175.800 -0.761 0.000 1.182 593 F CA -0.779 56.558 58.000 -1.105 0.000 1.270 593 F CB 0.963 39.481 39.000 -0.803 0.000 0.979 593 F HN 0.084 nan 8.300 nan 0.000 0.506 594 D N 1.072 121.332 120.400 -0.233 0.000 2.608 594 D HA 0.001 4.645 4.640 0.005 0.000 0.224 594 D C -0.899 175.554 176.300 0.256 0.000 1.123 594 D CA 0.155 54.172 54.000 0.027 0.000 1.030 594 D CB -0.060 40.786 40.800 0.078 0.000 1.093 594 D HN -0.006 nan 8.370 nan 0.000 0.497 595 W N 2.271 123.640 121.300 0.116 0.000 2.529 595 W HA 0.367 5.030 4.660 0.005 0.000 0.321 595 W C 0.888 177.447 176.519 0.066 0.000 1.047 595 W CA -1.005 56.396 57.345 0.093 0.000 1.216 595 W CB 1.407 30.947 29.460 0.133 0.000 1.357 595 W HN 0.009 nan 8.180 nan 0.000 0.489 596 K N 0.763 121.319 120.400 0.259 0.000 2.348 596 K HA 0.137 4.460 4.320 0.005 0.000 0.194 596 K C 0.500 177.168 176.600 0.114 0.000 1.052 596 K CA 0.458 56.832 56.287 0.146 0.000 1.004 596 K CB 0.894 33.450 32.500 0.094 0.000 0.873 596 K HN 0.377 nan 8.250 nan 0.000 0.523 597 T N 0.394 115.014 114.554 0.110 0.000 2.843 597 T HA 0.102 4.455 4.350 0.005 0.000 0.302 597 T C 0.390 175.111 174.700 0.035 0.000 1.232 597 T CA -0.529 61.609 62.100 0.063 0.000 1.009 597 T CB 1.580 70.466 68.868 0.030 0.000 1.254 597 T HN 0.094 nan 8.240 nan 0.000 0.504 598 E N 1.528 121.755 120.200 0.045 0.000 2.204 598 E HA -0.196 4.157 4.350 0.005 0.000 0.195 598 E C 1.383 177.959 176.600 -0.040 0.000 0.990 598 E CA 1.276 57.695 56.400 0.031 0.000 0.821 598 E CB -0.195 29.556 29.700 0.085 0.000 0.750 598 E HN 0.853 nan 8.360 nan 0.000 0.477 599 E N 1.097 121.236 120.200 -0.101 0.000 2.204 599 E HA -0.191 4.162 4.350 0.005 0.000 0.195 599 E C 1.239 177.659 176.600 -0.300 0.000 0.990 599 E CA 1.203 57.365 56.400 -0.396 0.000 0.821 599 E CB 0.085 29.422 29.700 -0.605 0.000 0.750 599 E HN 0.196 nan 8.360 nan 0.000 0.477 600 D N 0.079 120.319 120.400 -0.267 0.000 2.144 600 D HA -0.150 4.493 4.640 0.005 0.000 0.199 600 D C 1.728 177.610 176.300 -0.697 0.000 0.984 600 D CA 1.237 55.013 54.000 -0.374 0.000 0.834 600 D CB -0.144 40.498 40.800 -0.263 0.000 0.955 600 D HN 0.299 nan 8.370 nan 0.000 0.465 601 A N 0.097 122.439 122.820 -0.797 0.000 1.968 601 A HA -0.087 4.236 4.320 0.005 0.000 0.217 601 A C 2.053 179.455 177.584 -0.304 0.000 1.169 601 A CA 0.514 52.044 52.037 -0.845 0.000 0.638 601 A CB -0.841 17.813 19.000 -0.576 0.000 0.812 601 A HN 0.235 nan 8.150 nan 0.000 0.446 602 F N 1.128 120.889 119.950 -0.315 0.000 2.146 602 F HA -0.192 4.339 4.527 0.005 0.000 0.298 602 F C 2.142 177.784 175.800 -0.264 0.000 1.096 602 F CA 1.804 59.675 58.000 -0.215 0.000 1.275 602 F CB -0.039 38.849 39.000 -0.188 0.000 1.008 602 F HN 0.197 nan 8.300 nan 0.000 0.480 603 N N 0.420 118.954 118.700 -0.277 0.000 2.166 603 N HA -0.204 4.540 4.740 0.005 0.000 0.186 603 N C 1.332 176.631 175.510 -0.351 0.000 1.019 603 N CA 1.729 54.592 53.050 -0.311 0.000 0.856 603 N CB -0.578 37.782 38.487 -0.212 0.000 0.993 603 N HN 0.416 nan 8.380 nan 0.000 0.426 604 D N -0.699 119.480 120.400 -0.369 0.000 2.289 604 D HA 0.035 4.678 4.640 0.005 0.000 0.207 604 D C 1.536 177.384 176.300 -0.752 0.000 0.966 604 D CA 0.840 54.663 54.000 -0.296 0.000 0.868 604 D CB 0.075 40.912 40.800 0.061 0.000 0.943 604 D HN 0.252 nan 8.370 nan 0.000 0.514 605 G N -0.884 107.201 108.800 -1.191 0.000 2.534 605 G HA2 -0.035 3.928 3.960 0.005 0.000 0.220 605 G HA3 -0.035 3.928 3.960 0.005 0.000 0.220 605 G C 1.129 175.459 174.900 -0.949 0.000 1.699 605 G CA -0.013 43.922 45.100 -1.943 0.000 0.769 605 G HN 0.259 nan 8.290 nan 0.000 0.632 606 F N 1.964 121.420 119.950 -0.823 0.000 2.087 606 F HA -0.124 4.406 4.527 0.005 0.000 0.299 606 F C 2.808 178.182 175.800 -0.709 0.000 1.100 606 F CA 2.029 59.588 58.000 -0.736 0.000 1.226 606 F CB 0.163 38.587 39.000 -0.960 0.000 0.983 606 F HN -0.026 nan 8.300 nan 0.000 0.479 607 R N -0.396 119.777 120.500 -0.546 0.000 2.276 607 R HA 0.032 4.375 4.340 0.005 0.000 0.203 607 R C 1.886 177.996 176.300 -0.318 0.000 1.017 607 R CA 0.471 56.334 56.100 -0.395 0.000 1.010 607 R CB -0.154 29.926 30.300 -0.367 0.000 0.900 607 R HN 0.337 nan 8.270 nan 0.000 0.469 608 R N 0.430 120.692 120.500 -0.396 0.000 2.290 608 R HA 0.211 4.554 4.340 0.005 0.000 0.197 608 R C 0.318 176.443 176.300 -0.293 0.000 0.913 608 R CA -0.008 55.905 56.100 -0.312 0.000 1.040 608 R CB 0.544 30.658 30.300 -0.310 0.000 0.992 608 R HN 0.009 nan 8.270 nan 0.000 0.500 609 A N 0.864 123.467 122.820 -0.361 0.000 2.566 609 A HA 0.288 4.611 4.320 0.005 0.000 0.245 609 A C 1.219 178.688 177.584 -0.192 0.000 1.056 609 A CA 1.120 52.988 52.037 -0.281 0.000 0.757 609 A CB -0.407 18.387 19.000 -0.344 0.000 0.979 609 A HN 0.556 nan 8.150 nan 0.000 0.508 610 G N 1.251 109.971 108.800 -0.134 0.000 2.184 610 G HA2 -0.228 3.736 3.960 0.005 0.000 0.264 610 G HA3 -0.228 3.736 3.960 0.005 0.000 0.264 610 G C 0.248 175.084 174.900 -0.108 0.000 0.975 610 G CA 0.605 45.647 45.100 -0.097 0.000 0.642 610 G HN 0.895 nan 8.290 nan 0.000 0.536 611 Q N 0.352 120.068 119.800 -0.140 0.000 2.312 611 Q HA 0.452 4.795 4.340 0.005 0.000 0.236 611 Q C -2.260 173.670 176.000 -0.118 0.000 0.965 611 Q CA -1.951 53.754 55.803 -0.163 0.000 0.894 611 Q CB 0.070 28.683 28.738 -0.208 0.000 1.225 611 Q HN 0.195 nan 8.270 nan 0.000 0.478 612 P HA 0.047 nan 4.420 nan 0.000 0.263 612 P C 0.475 177.734 177.300 -0.067 0.000 1.195 612 P CA 1.088 64.141 63.100 -0.079 0.000 0.762 612 P CB 0.248 31.901 31.700 -0.078 0.000 0.799 613 G N 2.056 110.827 108.800 -0.048 0.000 2.184 613 G HA2 -0.199 3.764 3.960 0.005 0.000 0.264 613 G HA3 -0.199 3.764 3.960 0.005 0.000 0.264 613 G C 0.468 175.347 174.900 -0.034 0.000 0.975 613 G CA 0.036 45.114 45.100 -0.036 0.000 0.642 613 G HN 0.861 nan 8.290 nan 0.000 0.536 614 A N 0.825 123.617 122.820 -0.047 0.000 2.322 614 A HA 0.776 5.099 4.320 0.005 0.000 0.269 614 A C -0.483 177.093 177.584 -0.014 0.000 1.094 614 A CA -0.340 51.671 52.037 -0.043 0.000 0.807 614 A CB 0.529 19.476 19.000 -0.089 0.000 1.047 614 A HN 0.369 nan 8.150 nan 0.000 0.487 615 P HA 0.440 nan 4.420 nan 0.000 0.289 615 P C -0.296 177.036 177.300 0.054 0.000 1.299 615 P CA -0.283 62.844 63.100 0.046 0.000 0.766 615 P CB 0.557 32.309 31.700 0.087 0.000 1.226 616 A N 0.450 123.310 122.820 0.068 0.000 2.524 616 A HA 0.373 4.697 4.320 0.005 0.000 0.250 616 A C 0.250 177.915 177.584 0.135 0.000 1.078 616 A CA 0.183 52.267 52.037 0.078 0.000 0.761 616 A CB -1.090 17.954 19.000 0.073 0.000 1.012 616 A HN 0.432 nan 8.150 nan 0.000 0.500 617 I N 2.541 123.174 120.570 0.105 0.000 2.534 617 I HA 0.232 4.405 4.170 0.005 0.000 0.288 617 I C -1.201 174.992 176.117 0.126 0.000 1.077 617 I CA -0.697 60.684 61.300 0.135 0.000 1.051 617 I CB 2.352 40.324 38.000 -0.047 0.000 1.234 617 I HN 0.505 nan 8.210 nan 0.000 0.425 618 D N 4.705 125.246 120.400 0.235 0.000 2.373 618 D HA 0.365 5.009 4.640 0.005 0.000 0.227 618 D C -0.598 175.894 176.300 0.319 0.000 1.091 618 D CA 0.148 54.318 54.000 0.284 0.000 0.840 618 D CB 1.995 43.057 40.800 0.436 0.000 1.060 618 D HN 0.313 nan 8.370 nan 0.000 0.502 619 S N 1.785 117.603 115.700 0.196 0.000 2.571 619 S HA 0.126 4.600 4.470 0.005 0.000 0.284 619 S C 0.696 175.389 174.600 0.154 0.000 1.128 619 S CA -0.555 57.746 58.200 0.169 0.000 0.970 619 S CB 1.515 64.627 63.200 -0.146 0.000 1.039 619 S HN 0.260 nan 8.310 nan 0.000 0.485 620 Q N 2.588 122.598 119.800 0.349 0.000 2.439 620 Q HA 0.005 4.349 4.340 0.005 0.000 0.211 620 Q C 1.749 177.828 176.000 0.130 0.000 0.978 620 Q CA 1.196 57.184 55.803 0.309 0.000 0.897 620 Q CB -0.108 28.949 28.738 0.531 0.000 0.956 620 Q HN 0.866 nan 8.270 nan 0.000 0.483 621 G N -0.067 108.627 108.800 -0.177 0.000 2.777 621 G HA2 0.266 4.229 3.960 0.005 0.000 0.211 621 G HA3 0.266 4.229 3.960 0.005 0.000 0.211 621 G C 0.725 175.376 174.900 -0.416 0.000 1.149 621 G CA 0.227 45.016 45.100 -0.519 0.000 0.785 621 G HN 0.500 nan 8.290 nan 0.000 0.536 622 G N 0.037 108.660 108.800 -0.295 0.000 2.641 622 G HA2 -0.173 3.790 3.960 0.005 0.000 0.254 622 G HA3 -0.173 3.790 3.960 0.005 0.000 0.254 622 G C 1.309 176.064 174.900 -0.242 0.000 1.315 622 G CA 0.913 45.897 45.100 -0.192 0.000 0.907 622 G HN 1.269 nan 8.290 nan 0.000 0.572 623 S N -1.611 114.007 115.700 -0.138 0.000 2.561 623 S HA 0.090 4.564 4.470 0.005 0.000 0.225 623 S C 1.921 176.502 174.600 -0.031 0.000 0.977 623 S CA 1.859 60.003 58.200 -0.093 0.000 0.926 623 S CB -0.272 62.900 63.200 -0.047 0.000 0.769 623 S HN 2.052 nan 8.310 nan 0.000 0.533 624 T N -2.618 111.866 114.554 -0.117 0.000 3.163 624 T HA 0.397 4.750 4.350 0.005 0.000 0.252 624 T C 1.661 176.144 174.700 -0.362 0.000 1.056 624 T CA 0.249 62.229 62.100 -0.200 0.000 0.947 624 T CB 0.073 68.850 68.868 -0.150 0.000 1.016 624 T HN 0.338 nan 8.240 nan 0.000 0.554 625 G N 2.151 110.719 108.800 -0.387 0.000 2.448 625 G HA2 -0.265 3.698 3.960 0.005 0.000 0.219 625 G HA3 -0.265 3.698 3.960 0.005 0.000 0.219 625 G C 1.249 176.002 174.900 -0.245 0.000 1.127 625 G CA 1.013 45.792 45.100 -0.535 0.000 0.766 625 G HN 0.890 nan 8.290 nan 0.000 0.552 626 H N -0.245 118.692 119.070 -0.223 0.000 2.489 626 H HA 0.134 4.693 4.556 0.005 0.000 0.293 626 H C 2.112 177.378 175.328 -0.103 0.000 1.066 626 H CA 0.764 56.713 56.048 -0.165 0.000 1.305 626 H CB -0.381 29.281 29.762 -0.167 0.000 1.386 626 H HN 0.320 nan 8.280 nan 0.000 0.551 627 L N 0.764 121.615 121.223 -0.620 0.000 2.362 627 L HA 0.012 4.355 4.340 0.005 0.000 0.219 627 L C 0.232 176.981 176.870 -0.202 0.000 1.134 627 L CA 0.007 54.636 54.840 -0.353 0.000 0.807 627 L CB -0.001 41.905 42.059 -0.255 0.000 0.927 627 L HN 0.173 nan 8.230 nan 0.000 0.447 628 V N 0.156 120.040 119.914 -0.050 0.000 2.498 628 V HA 0.266 4.390 4.120 0.005 0.000 0.279 628 V C 0.396 176.567 176.094 0.128 0.000 1.048 628 V CA -0.262 62.080 62.300 0.070 0.000 0.967 628 V CB 1.181 33.163 31.823 0.265 0.000 0.988 628 V HN 0.343 nan 8.190 nan 0.000 0.473 629 T N 0.686 115.277 114.554 0.062 0.000 2.883 629 T HA 0.464 4.817 4.350 0.005 0.000 0.296 629 T C 0.642 175.420 174.700 0.130 0.000 1.117 629 T CA -0.595 61.580 62.100 0.124 0.000 1.006 629 T CB 1.113 69.944 68.868 -0.061 0.000 1.191 629 T HN 0.394 nan 8.240 nan 0.000 0.508 630 Y N 0.333 120.556 120.300 -0.129 0.000 2.165 630 Y HA -0.201 4.352 4.550 0.006 0.000 0.286 630 Y C 2.263 178.084 175.900 -0.132 0.000 1.155 630 Y CA 0.930 58.906 58.100 -0.207 0.000 1.164 630 Y CB -0.090 38.253 38.460 -0.196 0.000 0.978 630 Y HN 0.642 nan 8.280 nan 0.000 0.513 631 D N -0.201 120.243 120.400 0.072 0.000 2.144 631 D HA -0.128 4.515 4.640 0.005 0.000 0.199 631 D C 2.091 178.394 176.300 0.004 0.000 0.984 631 D CA 1.147 55.159 54.000 0.021 0.000 0.834 631 D CB -0.224 40.578 40.800 0.004 0.000 0.955 631 D HN 0.322 nan 8.370 nan 0.000 0.465 632 R N -0.077 120.407 120.500 -0.027 0.000 2.073 632 R HA 0.059 4.402 4.340 0.005 0.000 0.229 632 R C 2.497 178.806 176.300 0.015 0.000 1.120 632 R CA 0.465 56.564 56.100 -0.002 0.000 0.967 632 R CB -0.226 30.002 30.300 -0.121 0.000 0.862 632 R HN 0.195 nan 8.270 nan 0.000 0.436 633 L N 0.187 121.394 121.223 -0.027 0.000 2.093 633 L HA -0.143 4.200 4.340 0.005 0.000 0.208 633 L C 2.758 179.594 176.870 -0.058 0.000 1.085 633 L CA 1.208 56.014 54.840 -0.057 0.000 0.755 633 L CB -0.348 41.626 42.059 -0.142 0.000 0.904 633 L HN 0.192 nan 8.230 nan 0.000 0.435 634 R N 0.651 121.116 120.500 -0.059 0.000 2.081 634 R HA -0.183 4.161 4.340 0.005 0.000 0.235 634 R C 2.242 178.535 176.300 -0.011 0.000 1.131 634 R CA 1.448 57.519 56.100 -0.048 0.000 0.960 634 R CB 0.014 30.290 30.300 -0.040 0.000 0.856 634 R HN 0.246 nan 8.270 nan 0.000 0.436 635 K N -0.409 119.999 120.400 0.014 0.000 2.209 635 K HA -0.026 4.297 4.320 0.005 0.000 0.204 635 K C 1.899 178.518 176.600 0.033 0.000 1.048 635 K CA 1.352 57.660 56.287 0.034 0.000 0.940 635 K CB 0.097 32.637 32.500 0.067 0.000 0.729 635 K HN 0.076 nan 8.250 nan 0.000 0.451 636 S N 0.117 115.834 115.700 0.028 0.000 2.481 636 S HA 0.038 4.511 4.470 0.005 0.000 0.231 636 S C 0.900 175.504 174.600 0.008 0.000 0.996 636 S CA 0.562 58.775 58.200 0.023 0.000 0.942 636 S CB -0.123 63.090 63.200 0.021 0.000 0.768 636 S HN 0.632 nan 8.310 nan 0.000 0.520 637 G N 2.173 110.974 108.800 0.001 0.000 2.645 637 G HA2 -0.289 3.675 3.960 0.005 0.000 0.246 637 G HA3 -0.289 3.675 3.960 0.005 0.000 0.246 637 G C 0.232 175.120 174.900 -0.019 0.000 1.322 637 G CA 0.050 45.151 45.100 0.002 0.000 0.898 637 G HN 0.335 nan 8.290 nan 0.000 0.573 638 N N 1.037 119.721 118.700 -0.026 0.000 2.512 638 N HA -0.058 4.685 4.740 0.005 0.000 0.183 638 N C 1.825 177.312 175.510 -0.037 0.000 1.073 638 N CA 0.992 54.012 53.050 -0.050 0.000 0.911 638 N CB -0.257 38.172 38.487 -0.096 0.000 0.964 638 N HN 0.453 nan 8.380 nan 0.000 0.447 639 N N 0.642 119.328 118.700 -0.024 0.000 2.409 639 N HA -0.017 4.726 4.740 0.005 0.000 0.179 639 N C 1.467 176.964 175.510 -0.021 0.000 1.032 639 N CA 0.732 53.771 53.050 -0.019 0.000 0.898 639 N CB -0.142 38.340 38.487 -0.008 0.000 0.971 639 N HN 0.230 nan 8.380 nan 0.000 0.441 640 G N 0.529 109.317 108.800 -0.019 0.000 2.594 640 G HA2 -0.301 3.662 3.960 0.005 0.000 0.297 640 G HA3 -0.301 3.662 3.960 0.005 0.000 0.297 640 G C -0.330 174.568 174.900 -0.003 0.000 1.273 640 G CA 0.448 45.538 45.100 -0.017 0.000 0.974 640 G HN 0.481 nan 8.290 nan 0.000 0.552 641 V N -0.025 119.889 119.914 -0.000 0.000 2.932 641 V HA 0.620 4.743 4.120 0.005 0.000 0.307 641 V C -0.354 175.740 176.094 -0.001 0.000 1.147 641 V CA -0.392 61.912 62.300 0.007 0.000 0.951 641 V CB 1.889 33.732 31.823 0.033 0.000 1.031 641 V HN 0.931 nan 8.190 nan 0.000 0.426 642 Q N 4.750 124.539 119.800 -0.018 0.000 2.288 642 Q HA 0.507 4.850 4.340 0.005 0.000 0.258 642 Q C -0.709 175.287 176.000 -0.007 0.000 0.957 642 Q CA -0.239 55.546 55.803 -0.031 0.000 0.919 642 Q CB 1.569 30.270 28.738 -0.061 0.000 1.185 642 Q HN 0.627 nan 8.270 nan 0.000 0.408 643 L N 4.910 126.143 121.223 0.017 0.000 2.436 643 L HA 0.356 4.700 4.340 0.005 0.000 0.265 643 L C -1.946 174.917 176.870 -0.012 0.000 1.168 643 L CA -2.009 52.847 54.840 0.027 0.000 0.815 643 L CB 0.167 42.276 42.059 0.084 0.000 1.109 643 L HN 0.400 nan 8.230 nan 0.000 0.462 644 P HA 0.105 nan 4.420 nan 0.000 0.278 644 P C -0.634 176.653 177.300 -0.021 0.000 1.238 644 P CA -0.355 62.730 63.100 -0.026 0.000 0.794 644 P CB 1.029 32.700 31.700 -0.047 0.000 0.955 645 V N 3.388 123.292 119.914 -0.016 0.000 2.572 645 V HA -0.039 4.084 4.120 0.005 0.000 0.291 645 V C 1.817 177.899 176.094 -0.021 0.000 1.039 645 V CA 0.312 62.609 62.300 -0.006 0.000 1.055 645 V CB 0.934 32.757 31.823 0.001 0.000 0.969 645 V HN 0.360 nan 8.190 nan 0.000 0.482 646 V N 3.292 123.201 119.914 -0.008 0.000 2.685 646 V HA 0.111 4.234 4.120 0.005 0.000 0.244 646 V C 0.783 176.879 176.094 0.003 0.000 1.054 646 V CA 1.398 63.691 62.300 -0.011 0.000 1.076 646 V CB 0.563 32.377 31.823 -0.015 0.000 0.725 646 V HN 1.014 nan 8.190 nan 0.000 0.467 647 S N -2.213 113.501 115.700 0.023 0.000 2.587 647 S HA 0.568 5.041 4.470 0.005 0.000 0.269 647 S C -1.926 172.741 174.600 0.112 0.000 1.154 647 S CA -0.759 57.468 58.200 0.044 0.000 0.824 647 S CB 2.086 65.285 63.200 -0.001 0.000 1.118 647 S HN 0.307 nan 8.310 nan 0.000 0.462 648 W N 1.992 123.271 121.300 -0.035 0.000 3.274 648 W HA 0.633 5.296 4.660 0.005 0.000 0.327 648 W C -2.251 174.259 176.519 -0.014 0.000 1.172 648 W CA -0.134 57.196 57.345 -0.026 0.000 1.217 648 W CB 1.621 31.062 29.460 -0.032 0.000 1.376 648 W HN 1.153 nan 8.180 nan 0.000 0.507 649 D N 2.515 121.975 120.400 -1.566 0.000 2.622 649 D HA 0.190 4.833 4.640 0.005 0.000 0.255 649 D C 0.410 175.694 176.300 -1.694 0.000 1.246 649 D CA -0.506 52.524 54.000 -1.616 0.000 0.795 649 D CB 1.182 41.609 40.800 -0.622 0.000 1.369 649 D HN 0.326 nan 8.370 nan 0.000 0.425 650 E N 0.183 119.731 120.200 -1.087 0.000 2.118 650 E HA -0.168 4.186 4.350 0.005 0.000 0.195 650 E C 1.729 178.169 176.600 -0.267 0.000 0.992 650 E CA 1.945 58.096 56.400 -0.415 0.000 0.804 650 E CB -0.226 29.404 29.700 -0.116 0.000 0.741 650 E HN 0.599 nan 8.360 nan 0.000 0.458 651 S N 0.547 116.081 115.700 -0.277 0.000 2.414 651 S HA -0.053 4.420 4.470 0.005 0.000 0.227 651 S C 1.683 176.185 174.600 -0.164 0.000 1.022 651 S CA 0.743 58.840 58.200 -0.172 0.000 0.958 651 S CB -0.011 63.104 63.200 -0.142 0.000 0.797 651 S HN 0.177 nan 8.310 nan 0.000 0.493 652 K N 0.898 121.157 120.400 -0.234 0.000 2.354 652 K HA 0.428 4.752 4.320 0.005 0.000 0.194 652 K C 1.276 177.785 176.600 -0.152 0.000 1.045 652 K CA 0.266 56.451 56.287 -0.171 0.000 1.026 652 K CB 0.118 32.516 32.500 -0.170 0.000 0.866 652 K HN 0.489 nan 8.250 nan 0.000 0.530 653 G N 2.194 110.848 108.800 -0.244 0.000 2.645 653 G HA2 -0.290 3.673 3.960 0.005 0.000 0.239 653 G HA3 -0.290 3.673 3.960 0.005 0.000 0.239 653 G C -0.545 174.368 174.900 0.022 0.000 1.331 653 G CA -0.748 44.320 45.100 -0.053 0.000 0.890 653 G HN 0.121 nan 8.290 nan 0.000 0.572 654 L N -0.113 121.257 121.223 0.245 0.000 2.360 654 L HA 0.469 4.812 4.340 0.005 0.000 0.276 654 L C 0.500 177.422 176.870 0.086 0.000 1.121 654 L CA -0.605 54.377 54.840 0.237 0.000 0.845 654 L CB 1.052 43.233 42.059 0.204 0.000 1.143 654 L HN 0.429 nan 8.230 nan 0.000 0.452 655 V N 3.229 123.177 119.914 0.056 0.000 2.448 655 V HA 0.658 4.781 4.120 0.005 0.000 0.295 655 V C 0.592 176.693 176.094 0.012 0.000 1.025 655 V CA -0.313 61.995 62.300 0.013 0.000 0.859 655 V CB 1.353 33.168 31.823 -0.012 0.000 0.988 655 V HN 0.929 nan 8.190 nan 0.000 0.431 656 G N 3.222 112.022 108.800 0.000 0.000 3.122 656 G HA2 0.667 4.630 3.960 0.005 0.000 0.180 656 G HA3 0.667 4.630 3.960 0.005 0.000 0.180 656 G C -0.661 174.224 174.900 -0.024 0.000 1.279 656 G CA -0.428 44.667 45.100 -0.008 0.000 0.987 656 G HN 0.540 nan 8.290 nan 0.000 0.589 657 T N 0.291 114.824 114.554 -0.035 0.000 2.840 657 T HA 0.361 4.715 4.350 0.005 0.000 0.287 657 T C 0.510 175.175 174.700 -0.058 0.000 0.991 657 T CA -0.383 61.687 62.100 -0.050 0.000 0.964 657 T CB 2.351 71.179 68.868 -0.066 0.000 0.954 657 T HN 0.542 nan 8.240 nan 0.000 0.438 658 E N 2.360 122.529 120.200 -0.052 0.000 2.033 658 E HA 0.101 4.454 4.350 0.005 0.000 0.189 658 E C 0.581 177.148 176.600 -0.055 0.000 0.979 658 E CA 0.695 57.065 56.400 -0.050 0.000 0.802 658 E CB 0.395 30.076 29.700 -0.032 0.000 0.763 658 E HN 0.488 nan 8.360 nan 0.000 0.449 659 M N 0.977 120.541 119.600 -0.060 0.000 2.457 659 M HA 0.336 4.819 4.480 0.005 0.000 0.300 659 M C -1.735 174.480 176.300 -0.142 0.000 1.141 659 M CA -0.505 54.755 55.300 -0.068 0.000 0.901 659 M CB 1.676 34.266 32.600 -0.018 0.000 1.687 659 M HN -0.095 nan 8.290 nan 0.000 0.449 660 L N 4.501 125.580 121.223 -0.241 0.000 2.399 660 L HA 0.437 4.780 4.340 0.005 0.000 0.265 660 L C -0.654 175.912 176.870 -0.506 0.000 1.089 660 L CA -0.756 53.756 54.840 -0.547 0.000 0.802 660 L CB 0.556 42.025 42.059 -0.983 0.000 1.180 660 L HN 0.922 nan 8.230 nan 0.000 0.454 661 Y N -0.969 119.239 120.300 -0.153 0.000 4.490 661 Y HA -0.254 4.299 4.550 0.005 0.000 0.233 661 Y C 1.816 177.597 175.900 -0.199 0.000 1.101 661 Y CA 0.713 58.622 58.100 -0.319 0.000 2.010 661 Y CB -2.850 35.392 38.460 -0.364 0.000 1.622 661 Y HN 0.810 nan 8.280 nan 0.000 0.675 662 T N -3.425 111.103 114.554 -0.044 0.000 3.113 662 T HA -0.042 4.312 4.350 0.005 0.000 0.263 662 T C 1.112 175.813 174.700 0.001 0.000 1.143 662 T CA 1.490 63.593 62.100 0.004 0.000 1.090 662 T CB 0.126 68.993 68.868 -0.002 0.000 0.922 662 T HN 0.463 nan 8.240 nan 0.000 0.521 663 E N 0.440 120.605 120.200 -0.058 0.000 2.526 663 E HA 0.288 4.641 4.350 0.005 0.000 0.208 663 E C 1.367 177.846 176.600 -0.201 0.000 0.997 663 E CA 0.340 56.704 56.400 -0.060 0.000 0.961 663 E CB 0.634 30.313 29.700 -0.035 0.000 1.030 663 E HN 0.634 nan 8.360 nan 0.000 0.483 664 G N 2.497 111.116 108.800 -0.302 0.000 2.143 664 G HA2 -0.298 3.665 3.960 0.005 0.000 0.248 664 G HA3 -0.298 3.665 3.960 0.005 0.000 0.248 664 G C 0.074 174.670 174.900 -0.507 0.000 0.991 664 G CA 0.158 44.934 45.100 -0.539 0.000 0.689 664 G HN 0.146 nan 8.290 nan 0.000 0.522 665 K N 0.379 120.522 120.400 -0.428 0.000 2.266 665 K HA 0.533 4.857 4.320 0.005 0.000 0.274 665 K C -0.215 176.190 176.600 -0.326 0.000 1.090 665 K CA -0.470 55.691 56.287 -0.209 0.000 0.925 665 K CB 0.525 32.982 32.500 -0.072 0.000 1.225 665 K HN 0.144 nan 8.250 nan 0.000 0.458 666 F N 0.790 120.746 119.950 0.010 0.000 2.368 666 F HA 0.105 4.635 4.527 0.005 0.000 0.315 666 F C 1.109 176.884 175.800 -0.042 0.000 1.145 666 F CA -0.584 57.338 58.000 -0.129 0.000 1.095 666 F CB 0.690 39.505 39.000 -0.308 0.000 1.286 666 F HN 0.369 nan 8.300 nan 0.000 0.530 667 D N 1.239 121.719 120.400 0.133 0.000 2.619 667 D HA 0.162 4.805 4.640 0.005 0.000 0.224 667 D C -0.024 176.284 176.300 0.013 0.000 1.133 667 D CA 0.225 54.286 54.000 0.101 0.000 1.017 667 D CB -0.281 40.609 40.800 0.150 0.000 1.077 667 D HN 0.566 nan 8.370 nan 0.000 0.503 668 T N -3.013 111.535 114.554 -0.010 0.000 2.841 668 T HA 0.191 4.545 4.350 0.005 0.000 0.296 668 T C 1.012 175.726 174.700 0.024 0.000 1.166 668 T CA -0.865 61.190 62.100 -0.076 0.000 1.007 668 T CB 1.996 70.643 68.868 -0.370 0.000 1.253 668 T HN -0.074 nan 8.240 nan 0.000 0.511 669 D N 0.799 121.240 120.400 0.067 0.000 2.149 669 D HA -0.165 4.478 4.640 0.005 0.000 0.198 669 D C 0.950 177.310 176.300 0.099 0.000 0.990 669 D CA 1.964 56.018 54.000 0.090 0.000 0.839 669 D CB -0.466 40.396 40.800 0.104 0.000 0.948 669 D HN 0.751 nan 8.370 nan 0.000 0.460 670 D N -2.261 118.223 120.400 0.139 0.000 2.398 670 D HA 0.235 4.879 4.640 0.005 0.000 0.210 670 D C 1.671 178.049 176.300 0.129 0.000 1.094 670 D CA 0.354 54.432 54.000 0.130 0.000 0.839 670 D CB 0.012 40.900 40.800 0.147 0.000 0.963 670 D HN 0.362 nan 8.370 nan 0.000 0.506 671 G N 0.268 109.140 108.800 0.120 0.000 2.184 671 G HA2 -0.320 3.644 3.960 0.005 0.000 0.264 671 G HA3 -0.320 3.644 3.960 0.005 0.000 0.264 671 G C 0.158 175.194 174.900 0.227 0.000 0.975 671 G CA 0.354 45.536 45.100 0.137 0.000 0.642 671 G HN 0.471 nan 8.290 nan 0.000 0.536 672 K N 0.402 120.925 120.400 0.204 0.000 2.118 672 K HA 0.733 5.056 4.320 0.005 0.000 0.254 672 K C 0.551 177.138 176.600 -0.022 0.000 0.961 672 K CA -0.124 56.286 56.287 0.205 0.000 0.876 672 K CB 1.645 34.257 32.500 0.187 0.000 1.077 672 K HN 0.445 nan 8.250 nan 0.000 0.440 673 A N 2.095 124.690 122.820 -0.375 0.000 2.388 673 A HA 0.189 4.512 4.320 0.005 0.000 0.257 673 A C -0.852 176.574 177.584 -0.264 0.000 1.095 673 A CA -0.152 51.406 52.037 -0.798 0.000 0.791 673 A CB -0.100 18.039 19.000 -1.435 0.000 1.029 673 A HN 0.758 nan 8.150 nan 0.000 0.489 674 H N 1.085 119.936 119.070 -0.365 0.000 2.511 674 H HA 0.385 4.944 4.556 0.005 0.000 0.328 674 H C -1.072 174.106 175.328 -0.250 0.000 1.044 674 H CA -0.619 55.309 56.048 -0.201 0.000 1.212 674 H CB 1.072 30.779 29.762 -0.091 0.000 1.428 674 H HN 0.613 nan 8.280 nan 0.000 0.483 675 F N 2.356 122.305 119.950 -0.002 0.000 2.450 675 F HA 0.202 4.732 4.527 0.005 0.000 0.339 675 F C 0.706 176.470 175.800 -0.061 0.000 1.146 675 F CA 0.258 58.219 58.000 -0.064 0.000 1.267 675 F CB 0.663 39.651 39.000 -0.021 0.000 1.178 675 F HN 0.326 nan 8.300 nan 0.000 0.585 676 K N 2.900 123.348 120.400 0.079 0.000 2.435 676 K HA 0.404 4.728 4.320 0.005 0.000 0.251 676 K C -2.715 173.898 176.600 0.023 0.000 0.954 676 K CA -1.996 54.313 56.287 0.037 0.000 0.820 676 K CB 2.272 34.758 32.500 -0.024 0.000 1.292 676 K HN 0.227 nan 8.250 nan 0.000 0.436 677 P HA 0.128 nan 4.420 nan 0.000 0.275 677 P C -1.324 176.009 177.300 0.054 0.000 1.228 677 P CA -0.389 62.738 63.100 0.045 0.000 0.786 677 P CB 1.037 32.770 31.700 0.055 0.000 0.927 678 A N 3.884 126.739 122.820 0.059 0.000 2.943 678 A HA 0.474 4.798 4.320 0.005 0.000 0.327 678 A C -2.477 175.188 177.584 0.135 0.000 1.141 678 A CA -1.482 50.609 52.037 0.089 0.000 0.773 678 A CB 0.470 19.504 19.000 0.057 0.000 1.143 678 A HN 0.350 nan 8.150 nan 0.000 0.463 679 P HA 0.009 nan 4.420 nan 0.000 0.271 679 P C -0.340 177.094 177.300 0.223 0.000 1.216 679 P CA 0.032 63.220 63.100 0.147 0.000 0.776 679 P CB 0.688 32.443 31.700 0.090 0.000 0.881 680 W N 5.190 126.506 121.300 0.028 0.000 2.308 680 W HA 0.188 4.851 4.660 0.006 0.000 0.311 680 W C -0.496 176.028 176.519 0.009 0.000 1.088 680 W CA -0.596 56.759 57.345 0.017 0.000 1.309 680 W CB 0.729 30.196 29.460 0.012 0.000 1.229 680 W HN 0.347 nan 8.180 nan 0.000 0.427 681 N N 4.407 122.714 118.700 -0.654 0.000 2.184 681 N HA 0.156 4.899 4.740 0.005 0.000 0.206 681 N C 0.875 175.804 175.510 -0.969 0.000 1.151 681 N CA 0.834 53.488 53.050 -0.661 0.000 0.878 681 N CB 0.996 39.297 38.487 -0.310 0.000 1.014 681 N HN 0.737 nan 8.380 nan 0.000 0.512 682 G N 1.170 108.815 108.800 -1.923 0.000 2.741 682 G HA2 -0.262 3.702 3.960 0.005 0.000 0.222 682 G HA3 -0.262 3.702 3.960 0.005 0.000 0.222 682 G C -0.468 174.024 174.900 -0.679 0.000 1.364 682 G CA -0.669 43.671 45.100 -1.267 0.000 0.866 682 G HN 0.161 nan 8.290 nan 0.000 0.555 683 L N 1.490 122.520 121.223 -0.323 0.000 2.452 683 L HA 0.338 4.682 4.340 0.005 0.000 0.267 683 L C -1.476 175.221 176.870 -0.289 0.000 1.188 683 L CA -1.472 53.252 54.840 -0.193 0.000 0.821 683 L CB 0.504 42.509 42.059 -0.089 0.000 1.102 683 L HN 0.388 nan 8.230 nan 0.000 0.470 684 P HA 0.018 nan 4.420 nan 0.000 0.269 684 P C 0.041 177.170 177.300 -0.285 0.000 1.215 684 P CA -0.103 62.673 63.100 -0.541 0.000 0.780 684 P CB 0.789 31.625 31.700 -1.439 0.000 0.898 685 A N 2.410 125.143 122.820 -0.144 0.000 1.908 685 A HA -0.188 4.136 4.320 0.005 0.000 0.218 685 A C 2.065 179.652 177.584 0.006 0.000 1.181 685 A CA 2.380 54.387 52.037 -0.050 0.000 0.627 685 A CB -1.925 17.083 19.000 0.013 0.000 0.818 685 A HN 0.554 nan 8.150 nan 0.000 0.445 686 T N -0.381 114.213 114.554 0.066 0.000 2.699 686 T HA -0.147 4.207 4.350 0.005 0.000 0.268 686 T C 1.845 176.625 174.700 0.134 0.000 1.036 686 T CA 1.778 63.987 62.100 0.182 0.000 1.147 686 T CB -0.400 68.670 68.868 0.338 0.000 0.862 686 T HN 0.195 nan 8.240 nan 0.000 0.446 687 V N 0.987 120.906 119.914 0.008 0.000 2.407 687 V HA -0.113 4.010 4.120 0.005 0.000 0.245 687 V C 2.570 178.663 176.094 -0.002 0.000 1.041 687 V CA 1.509 63.836 62.300 0.044 0.000 1.040 687 V CB -0.668 31.165 31.823 0.017 0.000 0.671 687 V HN 0.331 nan 8.190 nan 0.000 0.455 688 Q N 0.440 120.184 119.800 -0.094 0.000 2.152 688 Q HA -0.266 4.077 4.340 0.005 0.000 0.206 688 Q C 2.189 178.119 176.000 -0.116 0.000 0.985 688 Q CA 1.999 57.699 55.803 -0.171 0.000 0.863 688 Q CB -0.352 28.294 28.738 -0.154 0.000 0.904 688 Q HN 0.703 nan 8.270 nan 0.000 0.422 689 Q N -1.012 118.777 119.800 -0.018 0.000 2.124 689 Q HA -0.180 4.163 4.340 0.005 0.000 0.202 689 Q C 2.104 178.146 176.000 0.070 0.000 0.977 689 Q CA 1.359 57.175 55.803 0.022 0.000 0.850 689 Q CB -0.006 28.776 28.738 0.075 0.000 0.901 689 Q HN 0.421 nan 8.270 nan 0.000 0.429 690 Q N 0.618 120.524 119.800 0.177 0.000 2.123 690 Q HA -0.108 4.236 4.340 0.005 0.000 0.199 690 Q C 1.795 177.949 176.000 0.256 0.000 0.966 690 Q CA 1.041 57.057 55.803 0.355 0.000 0.845 690 Q CB -0.170 28.850 28.738 0.470 0.000 0.907 690 Q HN 0.298 nan 8.270 nan 0.000 0.439 691 K N 0.794 121.166 120.400 -0.047 0.000 2.097 691 K HA -0.147 4.176 4.320 0.005 0.000 0.205 691 K C 0.980 177.403 176.600 -0.296 0.000 1.050 691 K CA 1.346 57.330 56.287 -0.505 0.000 0.938 691 K CB 0.194 31.962 32.500 -1.221 0.000 0.718 691 K HN -0.000 nan 8.250 nan 0.000 0.442 692 D N 0.232 120.510 120.400 -0.204 0.000 2.269 692 D HA -0.098 4.546 4.640 0.005 0.000 0.208 692 D C 1.556 177.766 176.300 -0.150 0.000 0.963 692 D CA 0.949 54.851 54.000 -0.163 0.000 0.864 692 D CB 0.239 40.958 40.800 -0.134 0.000 0.936 692 D HN 0.275 nan 8.370 nan 0.000 0.505 693 K N -1.172 119.121 120.400 -0.178 0.000 2.308 693 K HA 0.012 4.336 4.320 0.005 0.000 0.197 693 K C -0.247 176.061 176.600 -0.488 0.000 1.049 693 K CA 0.271 56.330 56.287 -0.380 0.000 0.991 693 K CB 0.446 32.607 32.500 -0.564 0.000 0.836 693 K HN -0.063 nan 8.250 nan 0.000 0.500 694 Y N -0.291 120.035 120.300 0.044 0.000 2.562 694 Y HA 0.341 4.895 4.550 0.005 0.000 0.343 694 Y C 1.050 177.006 175.900 0.094 0.000 1.025 694 Y CA -1.141 57.002 58.100 0.071 0.000 1.082 694 Y CB 1.470 40.000 38.460 0.116 0.000 1.264 694 Y HN -0.240 nan 8.280 nan 0.000 0.478 695 R N 0.608 121.235 120.500 0.211 0.000 2.062 695 R HA 0.128 4.472 4.340 0.005 0.000 0.226 695 R C -0.596 175.665 176.300 -0.065 0.000 1.125 695 R CA 0.929 56.992 56.100 -0.063 0.000 0.966 695 R CB 0.049 30.108 30.300 -0.402 0.000 0.861 695 R HN 0.506 nan 8.270 nan 0.000 0.433 696 F N -0.253 119.861 119.950 0.274 0.000 2.421 696 F HA 0.207 4.737 4.527 0.005 0.000 0.337 696 F C -0.188 175.615 175.800 0.004 0.000 1.105 696 F CA -1.193 56.916 58.000 0.182 0.000 1.049 696 F CB 0.797 39.819 39.000 0.037 0.000 1.139 696 F HN 0.060 nan 8.300 nan 0.000 0.479 697 W N 6.043 127.208 121.300 -0.225 0.000 2.304 697 W HA 0.407 5.070 4.660 0.005 0.000 0.313 697 W C -1.053 175.168 176.519 -0.497 0.000 1.323 697 W CA -1.316 55.397 57.345 -1.054 0.000 1.223 697 W CB 0.479 29.492 29.460 -0.746 0.000 1.237 697 W HN 0.376 nan 8.180 nan 0.000 0.535 698 L N 7.620 128.355 121.223 -0.813 0.000 2.598 698 L HA 0.085 4.428 4.340 0.005 0.000 0.241 698 L C 0.652 176.935 176.870 -0.978 0.000 1.244 698 L CA -0.574 53.854 54.840 -0.688 0.000 1.198 698 L CB -1.046 40.771 42.059 -0.403 0.000 1.448 698 L HN 0.466 nan 8.230 nan 0.000 0.406 699 N N 2.896 120.724 118.700 -1.453 0.000 2.415 699 N HA 0.095 4.839 4.740 0.005 0.000 0.248 699 N C -0.506 174.541 175.510 -0.773 0.000 1.271 699 N CA 0.210 52.453 53.050 -1.344 0.000 0.913 699 N CB 0.606 38.110 38.487 -1.639 0.000 1.129 699 N HN 0.627 nan 8.380 nan 0.000 0.444 700 N N -0.559 117.791 118.700 -0.582 0.000 2.710 700 N HA 0.752 5.495 4.740 0.005 0.000 0.257 700 N C -0.477 174.777 175.510 -0.427 0.000 1.327 700 N CA -0.512 52.068 53.050 -0.783 0.000 0.861 700 N CB 1.398 39.610 38.487 -0.459 0.000 1.532 700 N HN 0.664 nan 8.380 nan 0.000 0.499 701 G N -0.221 108.298 108.800 -0.469 0.000 2.455 701 G HA2 0.293 4.256 3.960 0.005 0.000 0.223 701 G HA3 0.293 4.256 3.960 0.005 0.000 0.223 701 G C -1.633 173.409 174.900 0.237 0.000 1.226 701 G CA -0.977 44.126 45.100 0.004 0.000 0.948 701 G HN 0.586 nan 8.290 nan 0.000 0.478 702 R N 0.629 121.302 120.500 0.288 0.000 2.531 702 R HA 0.581 4.925 4.340 0.005 0.000 0.273 702 R C 0.186 176.607 176.300 0.201 0.000 1.070 702 R CA -0.568 55.666 56.100 0.223 0.000 1.112 702 R CB 0.722 31.085 30.300 0.104 0.000 1.049 702 R HN 0.566 nan 8.270 nan 0.000 0.508 703 N N 0.953 119.704 118.700 0.084 0.000 2.314 703 N HA 0.043 4.786 4.740 0.005 0.000 0.294 703 N C 0.117 175.626 175.510 -0.001 0.000 1.029 703 N CA -0.334 52.735 53.050 0.031 0.000 0.845 703 N CB 1.377 39.808 38.487 -0.093 0.000 1.321 703 N HN 0.555 nan 8.380 nan 0.000 0.481 704 N N 2.800 121.501 118.700 0.001 0.000 2.137 704 N HA -0.205 4.538 4.740 0.005 0.000 0.190 704 N C 0.687 176.205 175.510 0.013 0.000 1.017 704 N CA 2.012 55.050 53.050 -0.020 0.000 0.859 704 N CB 0.268 38.728 38.487 -0.045 0.000 1.002 704 N HN 0.597 nan 8.380 nan 0.000 0.428 705 E N -0.948 119.277 120.200 0.042 0.000 2.170 705 E HA 0.101 4.454 4.350 0.005 0.000 0.191 705 E C -0.194 176.453 176.600 0.079 0.000 0.981 705 E CA 0.199 56.654 56.400 0.093 0.000 0.830 705 E CB 0.331 30.176 29.700 0.241 0.000 0.775 705 E HN 0.063 nan 8.360 nan 0.000 0.470 706 V N 1.894 121.809 119.914 0.002 0.000 2.461 706 V HA 0.058 4.181 4.120 0.005 0.000 0.275 706 V C -0.566 175.570 176.094 0.070 0.000 1.047 706 V CA -0.554 61.751 62.300 0.009 0.000 0.955 706 V CB 0.747 32.481 31.823 -0.150 0.000 0.988 706 V HN 0.292 nan 8.190 nan 0.000 0.471 707 W N 6.480 127.691 121.300 -0.147 0.000 2.308 707 W HA 0.289 4.952 4.660 0.005 0.000 0.311 707 W C 0.414 176.851 176.519 -0.137 0.000 1.088 707 W CA -0.469 56.760 57.345 -0.194 0.000 1.309 707 W CB 0.978 30.165 29.460 -0.456 0.000 1.229 707 W HN 0.801 nan 8.180 nan 0.000 0.427 708 Q N 1.137 120.517 119.800 -0.700 0.000 1.932 708 Q HA -0.345 3.998 4.340 0.005 0.000 0.407 708 Q C 1.480 177.243 176.000 -0.396 0.000 0.787 708 Q CA 2.940 58.397 55.803 -0.576 0.000 0.852 708 Q CB -1.791 26.456 28.738 -0.818 0.000 3.472 708 Q HN 0.738 nan 8.270 nan 0.000 0.793 709 T N -1.002 113.442 114.554 -0.183 0.000 3.252 709 T HA 0.460 4.813 4.350 0.005 0.000 0.250 709 T C 0.861 175.486 174.700 -0.125 0.000 1.123 709 T CA 1.350 63.365 62.100 -0.141 0.000 1.006 709 T CB -0.248 68.616 68.868 -0.007 0.000 0.992 709 T HN 1.342 nan 8.240 nan 0.000 0.547 710 A N 0.906 123.627 122.820 -0.164 0.000 2.832 710 A HA -0.246 4.077 4.320 0.005 0.000 0.280 710 A C 0.969 178.391 177.584 -0.271 0.000 1.464 710 A CA 1.182 53.091 52.037 -0.212 0.000 0.804 710 A CB -2.998 15.868 19.000 -0.223 0.000 1.020 710 A HN 1.056 nan 8.150 nan 0.000 0.563 711 Y N -3.006 117.186 120.300 -0.181 0.000 2.224 711 Y HA -0.151 4.403 4.550 0.006 0.000 0.289 711 Y C 2.208 177.832 175.900 -0.460 0.000 1.146 711 Y CA 1.683 59.614 58.100 -0.282 0.000 1.182 711 Y CB -0.532 37.883 38.460 -0.076 0.000 0.983 711 Y HN 0.569 nan 8.280 nan 0.000 0.524 712 H N 0.058 118.870 119.070 -0.431 0.000 2.399 712 H HA -0.025 4.534 4.556 0.005 0.000 0.300 712 H C 1.423 176.408 175.328 -0.571 0.000 1.048 712 H CA 1.156 56.856 56.048 -0.580 0.000 1.370 712 H CB -0.244 28.778 29.762 -1.234 0.000 1.428 712 H HN 0.404 nan 8.280 nan 0.000 0.534 713 D N 1.288 121.513 120.400 -0.293 0.000 2.182 713 D HA -0.170 4.473 4.640 0.005 0.000 0.201 713 D C 2.226 178.461 176.300 -0.108 0.000 0.986 713 D CA 1.010 54.973 54.000 -0.062 0.000 0.847 713 D CB -0.200 40.621 40.800 0.036 0.000 0.942 713 D HN 0.650 nan 8.370 nan 0.000 0.467 714 Q N -0.380 119.221 119.800 -0.333 0.000 2.368 714 Q HA -0.184 4.159 4.340 0.005 0.000 0.210 714 Q C 1.074 176.801 176.000 -0.455 0.000 0.982 714 Q CA 1.235 56.755 55.803 -0.472 0.000 0.884 714 Q CB -0.459 27.845 28.738 -0.723 0.000 0.933 714 Q HN 0.447 nan 8.270 nan 0.000 0.460 715 Y N 0.369 120.602 120.300 -0.112 0.000 2.458 715 Y HA 0.218 4.771 4.550 0.006 0.000 0.256 715 Y C 0.573 176.494 175.900 0.036 0.000 1.159 715 Y CA -0.722 57.349 58.100 -0.048 0.000 1.261 715 Y CB 0.540 38.959 38.460 -0.068 0.000 1.119 715 Y HN 0.163 nan 8.280 nan 0.000 0.524 716 N N 0.949 119.762 118.700 0.190 0.000 2.419 716 N HA -0.010 4.734 4.740 0.005 0.000 0.264 716 N C 1.047 176.637 175.510 0.133 0.000 1.031 716 N CA 0.471 53.651 53.050 0.216 0.000 0.951 716 N CB 1.375 40.056 38.487 0.324 0.000 1.101 716 N HN 0.240 nan 8.380 nan 0.000 0.488 717 S N 4.404 120.168 115.700 0.107 0.000 2.383 717 S HA -0.130 4.344 4.470 0.005 0.000 0.229 717 S C 1.934 176.562 174.600 0.048 0.000 1.030 717 S CA 0.652 58.893 58.200 0.069 0.000 1.002 717 S CB -0.237 62.996 63.200 0.054 0.000 0.829 717 S HN 0.633 nan 8.310 nan 0.000 0.467 718 L N -0.026 121.226 121.223 0.048 0.000 2.072 718 L HA 0.017 4.360 4.340 0.005 0.000 0.205 718 L C 2.909 179.790 176.870 0.018 0.000 1.079 718 L CA 1.001 55.851 54.840 0.017 0.000 0.752 718 L CB -0.537 41.529 42.059 0.012 0.000 0.906 718 L HN 0.327 nan 8.230 nan 0.000 0.436 719 M N -0.664 118.982 119.600 0.078 0.000 2.159 719 M HA -0.165 4.318 4.480 0.005 0.000 0.263 719 M C 2.229 178.599 176.300 0.116 0.000 1.063 719 M CA 1.529 56.908 55.300 0.131 0.000 1.110 719 M CB -0.909 31.809 32.600 0.197 0.000 1.374 719 M HN 0.259 nan 8.290 nan 0.000 0.411 720 Q N -0.246 119.604 119.800 0.083 0.000 2.245 720 Q HA -0.091 4.252 4.340 0.005 0.000 0.201 720 Q C 1.858 177.867 176.000 0.016 0.000 0.955 720 Q CA 0.900 56.745 55.803 0.071 0.000 0.870 720 Q CB -0.303 28.465 28.738 0.051 0.000 0.945 720 Q HN 0.641 nan 8.270 nan 0.000 0.461 721 E N 0.781 120.970 120.200 -0.018 0.000 2.072 721 E HA -0.201 4.152 4.350 0.005 0.000 0.190 721 E C 1.955 178.456 176.600 -0.166 0.000 0.982 721 E CA 0.854 57.218 56.400 -0.060 0.000 0.803 721 E CB 0.195 29.863 29.700 -0.054 0.000 0.755 721 E HN 0.030 nan 8.360 nan 0.000 0.453 722 R N -0.432 119.924 120.500 -0.239 0.000 2.075 722 R HA -0.064 4.280 4.340 0.005 0.000 0.226 722 R C 0.137 175.999 176.300 -0.729 0.000 1.114 722 R CA 1.379 57.159 56.100 -0.532 0.000 0.972 722 R CB -0.093 29.828 30.300 -0.631 0.000 0.869 722 R HN 0.186 nan 8.270 nan 0.000 0.437 723 Y N 0.371 120.618 120.300 -0.089 0.000 2.658 723 Y HA 0.348 4.901 4.550 0.005 0.000 0.362 723 Y C -1.788 174.104 175.900 -0.014 0.000 1.017 723 Y CA -2.197 55.849 58.100 -0.090 0.000 1.134 723 Y CB 1.833 40.247 38.460 -0.077 0.000 1.144 723 Y HN 0.158 nan 8.280 nan 0.000 0.655 724 P HA -0.146 nan 4.420 nan 0.000 0.220 724 P C 0.243 177.596 177.300 0.089 0.000 1.148 724 P CA 1.311 64.398 63.100 -0.022 0.000 0.803 724 P CB 0.873 32.470 31.700 -0.171 0.000 0.782 725 M N -1.215 118.391 119.600 0.009 0.000 2.550 725 M HA 0.609 5.093 4.480 0.005 0.000 0.292 725 M C -1.257 175.133 176.300 0.151 0.000 1.221 725 M CA -1.051 54.357 55.300 0.179 0.000 0.873 725 M CB 2.653 35.342 32.600 0.148 0.000 1.727 725 M HN -0.227 nan 8.290 nan 0.000 0.459 726 A N 2.576 125.499 122.820 0.171 0.000 2.540 726 A HA 0.341 4.664 4.320 0.005 0.000 0.239 726 A C -1.116 176.470 177.584 0.004 0.000 1.061 726 A CA 0.221 52.186 52.037 -0.119 0.000 0.758 726 A CB -0.452 18.514 19.000 -0.057 0.000 0.991 726 A HN 0.801 nan 8.150 nan 0.000 0.502 727 Y N 0.165 120.433 120.300 -0.054 0.000 2.567 727 Y HA 0.779 5.332 4.550 0.005 0.000 0.333 727 Y C -0.467 175.450 175.900 0.029 0.000 1.106 727 Y CA -1.890 56.270 58.100 0.100 0.000 1.157 727 Y CB 1.204 39.850 38.460 0.309 0.000 1.277 727 Y HN 0.558 nan 8.280 nan 0.000 0.490 728 I N 2.273 122.977 120.570 0.223 0.000 2.468 728 I HA 0.298 4.472 4.170 0.005 0.000 0.285 728 I C -1.131 175.123 176.117 0.228 0.000 1.039 728 I CA -0.644 60.692 61.300 0.061 0.000 1.074 728 I CB 1.300 39.261 38.000 -0.064 0.000 1.228 728 I HN 0.826 nan 8.210 nan 0.000 0.436 729 E N 8.208 128.561 120.200 0.255 0.000 2.316 729 E HA 0.388 4.741 4.350 0.005 0.000 0.275 729 E C -0.916 175.761 176.600 0.128 0.000 1.029 729 E CA -0.059 56.486 56.400 0.242 0.000 0.871 729 E CB 1.347 31.178 29.700 0.220 0.000 1.022 729 E HN 0.532 nan 8.360 nan 0.000 0.418 730 M N 2.242 121.914 119.600 0.121 0.000 2.501 730 M HA 0.217 4.700 4.480 0.005 0.000 0.293 730 M C -0.278 176.084 176.300 0.104 0.000 1.192 730 M CA -0.914 54.427 55.300 0.068 0.000 0.886 730 M CB 2.184 34.782 32.600 -0.003 0.000 1.710 730 M HN 0.406 nan 8.290 nan 0.000 0.457 731 N N 2.495 121.269 118.700 0.124 0.000 2.492 731 N HA 0.111 4.854 4.740 0.005 0.000 0.262 731 N C -2.207 173.369 175.510 0.109 0.000 1.202 731 N CA -0.867 52.260 53.050 0.128 0.000 0.926 731 N CB 1.416 39.999 38.487 0.161 0.000 1.078 731 N HN 0.265 nan 8.380 nan 0.000 0.454 732 P HA -0.082 nan 4.420 nan 0.000 0.216 732 P C 0.412 177.757 177.300 0.075 0.000 1.150 732 P CA 1.070 64.215 63.100 0.074 0.000 0.837 732 P CB 0.304 32.042 31.700 0.064 0.000 0.786 733 D N -0.792 119.659 120.400 0.085 0.000 2.117 733 D HA -0.132 4.511 4.640 0.005 0.000 0.198 733 D C 1.481 177.844 176.300 0.106 0.000 0.982 733 D CA 1.088 55.138 54.000 0.084 0.000 0.828 733 D CB -0.666 40.182 40.800 0.080 0.000 0.967 733 D HN 0.163 nan 8.370 nan 0.000 0.464 734 D N 0.210 120.698 120.400 0.146 0.000 2.117 734 D HA -0.099 4.544 4.640 0.005 0.000 0.197 734 D C 2.246 178.640 176.300 0.157 0.000 0.987 734 D CA 0.505 54.631 54.000 0.210 0.000 0.829 734 D CB -0.485 40.528 40.800 0.354 0.000 0.961 734 D HN 0.196 nan 8.370 nan 0.000 0.460 735 C N 0.935 120.296 119.300 0.101 0.000 2.432 735 C HA -0.090 4.373 4.460 0.005 0.000 0.277 735 C C 2.546 177.569 174.990 0.055 0.000 1.249 735 C CA 0.442 59.494 59.018 0.057 0.000 1.725 735 C CB -0.545 27.217 27.740 0.036 0.000 2.028 735 C HN 0.372 nan 8.230 nan 0.000 0.477 736 K N 0.051 120.485 120.400 0.057 0.000 2.057 736 K HA -0.204 4.119 4.320 0.005 0.000 0.207 736 K C 2.337 178.970 176.600 0.055 0.000 1.049 736 K CA 1.139 57.454 56.287 0.047 0.000 0.931 736 K CB -0.317 32.210 32.500 0.044 0.000 0.714 736 K HN 0.455 nan 8.250 nan 0.000 0.440 737 Q N 0.992 120.837 119.800 0.075 0.000 2.124 737 Q HA -0.100 4.243 4.340 0.005 0.000 0.202 737 Q C 1.721 177.773 176.000 0.086 0.000 0.977 737 Q CA 1.339 57.190 55.803 0.080 0.000 0.850 737 Q CB 0.096 28.893 28.738 0.098 0.000 0.901 737 Q HN 0.354 nan 8.270 nan 0.000 0.429 738 L N 0.529 121.810 121.223 0.096 0.000 2.591 738 L HA 0.015 4.359 4.340 0.005 0.000 0.228 738 L C 0.095 177.001 176.870 0.061 0.000 1.133 738 L CA 0.172 55.068 54.840 0.093 0.000 0.880 738 L CB 0.139 42.261 42.059 0.106 0.000 1.033 738 L HN 0.168 nan 8.230 nan 0.000 0.450 739 D N 0.699 121.128 120.400 0.047 0.000 2.699 739 D HA -0.152 4.491 4.640 0.005 0.000 0.239 739 D C -0.444 175.865 176.300 0.016 0.000 1.136 739 D CA 0.837 54.855 54.000 0.029 0.000 0.668 739 D CB -0.715 40.102 40.800 0.029 0.000 1.060 739 D HN 0.145 nan 8.370 nan 0.000 0.429 740 V N -3.074 116.846 119.914 0.009 0.000 2.864 740 V HA 0.967 5.090 4.120 0.005 0.000 0.314 740 V C 0.269 176.339 176.094 -0.039 0.000 1.073 740 V CA 0.094 62.385 62.300 -0.015 0.000 0.956 740 V CB 2.264 34.079 31.823 -0.013 0.000 1.023 740 V HN 0.191 nan 8.190 nan 0.000 0.435 741 T N 1.448 115.952 114.554 -0.084 0.000 2.778 741 T HA 0.681 5.035 4.350 0.005 0.000 0.293 741 T C 0.316 174.845 174.700 -0.285 0.000 1.144 741 T CA 0.081 62.102 62.100 -0.132 0.000 1.010 741 T CB 1.476 70.283 68.868 -0.103 0.000 1.325 741 T HN 1.747 nan 8.240 nan 0.000 0.515 742 G N -0.362 108.173 108.800 -0.442 0.000 2.178 742 G HA2 0.384 4.348 3.960 0.005 0.000 0.244 742 G HA3 0.384 4.348 3.960 0.005 0.000 0.244 742 G C 1.227 175.386 174.900 -1.235 0.000 1.213 742 G CA 0.604 45.020 45.100 -1.141 0.000 0.912 742 G HN 1.752 nan 8.290 nan 0.000 0.474 743 G N 2.261 110.285 108.800 -1.293 0.000 2.213 743 G HA2 -0.239 3.724 3.960 0.005 0.000 0.236 743 G HA3 -0.239 3.724 3.960 0.005 0.000 0.236 743 G C 0.217 175.110 174.900 -0.011 0.000 0.991 743 G CA 0.270 45.182 45.100 -0.313 0.000 0.629 743 G HN 0.764 nan 8.290 nan 0.000 0.517 744 D N 0.391 120.731 120.400 -0.101 0.000 2.339 744 D HA 0.565 5.209 4.640 0.005 0.000 0.245 744 D C 0.802 177.144 176.300 0.069 0.000 1.115 744 D CA 0.084 54.075 54.000 -0.015 0.000 0.917 744 D CB 1.150 41.929 40.800 -0.035 0.000 1.192 744 D HN 0.322 nan 8.370 nan 0.000 0.428 745 I N 1.031 121.654 120.570 0.089 0.000 2.412 745 I HA 0.276 4.449 4.170 0.005 0.000 0.296 745 I C 0.061 176.271 176.117 0.155 0.000 0.987 745 I CA -0.887 60.508 61.300 0.160 0.000 1.180 745 I CB 1.647 39.736 38.000 0.149 0.000 1.340 745 I HN 0.070 nan 8.210 nan 0.000 0.455 746 V N 1.913 121.935 119.914 0.181 0.000 2.914 746 V HA 0.563 4.687 4.120 0.005 0.000 0.314 746 V C -0.512 175.685 176.094 0.173 0.000 1.084 746 V CA -0.819 61.572 62.300 0.151 0.000 0.963 746 V CB 1.828 33.678 31.823 0.045 0.000 1.025 746 V HN 0.813 nan 8.190 nan 0.000 0.432 747 E N 1.471 121.724 120.200 0.089 0.000 2.249 747 E HA 0.617 4.970 4.350 0.005 0.000 0.280 747 E C -1.490 175.049 176.600 -0.102 0.000 1.016 747 E CA -0.617 55.624 56.400 -0.264 0.000 0.830 747 E CB 1.942 31.533 29.700 -0.182 0.000 1.081 747 E HN 0.698 nan 8.360 nan 0.000 0.395 748 V N 5.891 125.678 119.914 -0.213 0.000 2.448 748 V HA 0.434 4.558 4.120 0.005 0.000 0.295 748 V C -1.001 175.038 176.094 -0.092 0.000 1.025 748 V CA -0.622 61.584 62.300 -0.156 0.000 0.859 748 V CB 0.553 32.256 31.823 -0.199 0.000 0.988 748 V HN 0.646 nan 8.190 nan 0.000 0.431 749 Y N 3.345 123.514 120.300 -0.218 0.000 2.638 749 Y HA 0.900 5.453 4.550 0.006 0.000 0.335 749 Y C -0.667 175.006 175.900 -0.379 0.000 1.155 749 Y CA -1.104 56.856 58.100 -0.233 0.000 1.046 749 Y CB 1.718 40.068 38.460 -0.183 0.000 1.303 749 Y HN 0.655 nan 8.280 nan 0.000 0.460 750 N N -1.282 117.268 118.700 -0.251 0.000 3.526 750 N HA 0.228 4.971 4.740 0.005 0.000 0.328 750 N C -0.624 174.852 175.510 -0.057 0.000 1.601 750 N CA -0.405 52.258 53.050 -0.645 0.000 0.834 750 N CB 0.091 38.230 38.487 -0.581 0.000 1.983 750 N HN 0.548 nan 8.380 nan 0.000 0.579 751 D N -0.715 119.761 120.400 0.128 0.000 2.219 751 D HA 0.067 4.710 4.640 0.005 0.000 0.205 751 D C 1.002 177.214 176.300 -0.147 0.000 0.970 751 D CA 1.035 55.066 54.000 0.051 0.000 0.851 751 D CB -0.249 40.536 40.800 -0.026 0.000 0.943 751 D HN 0.383 nan 8.370 nan 0.000 0.488 752 F N 0.389 120.367 119.950 0.047 0.000 2.416 752 F HA 0.242 4.772 4.527 0.005 0.000 0.296 752 F C 1.686 177.490 175.800 0.007 0.000 1.099 752 F CA 0.653 58.672 58.000 0.031 0.000 1.427 752 F CB 0.412 39.431 39.000 0.032 0.000 1.079 752 F HN -0.066 nan 8.300 nan 0.000 0.536 753 G N -1.328 107.550 108.800 0.131 0.000 2.342 753 G HA2 0.401 4.365 3.960 0.005 0.000 0.297 753 G HA3 0.401 4.365 3.960 0.005 0.000 0.297 753 G C -1.757 173.160 174.900 0.029 0.000 1.313 753 G CA -0.468 44.670 45.100 0.063 0.000 0.830 753 G HN -0.026 nan 8.290 nan 0.000 0.506 754 S N -1.306 114.386 115.700 -0.014 0.000 2.547 754 S HA 0.850 5.324 4.470 0.005 0.000 0.281 754 S C -0.576 173.925 174.600 -0.165 0.000 1.118 754 S CA 0.461 58.612 58.200 -0.081 0.000 0.947 754 S CB 2.062 65.204 63.200 -0.097 0.000 1.053 754 S HN 1.447 nan 8.310 nan 0.000 0.482 755 T N 2.533 116.887 114.554 -0.333 0.000 2.671 755 T HA 0.801 5.154 4.350 0.005 0.000 0.300 755 T C -2.033 172.259 174.700 -0.680 0.000 1.238 755 T CA -0.375 61.538 62.100 -0.312 0.000 1.020 755 T CB 0.598 69.405 68.868 -0.102 0.000 1.503 755 T HN 0.498 nan 8.240 nan 0.000 0.497 756 F N 0.298 120.258 119.950 0.018 0.000 2.613 756 F HA 0.887 5.417 4.527 0.005 0.000 0.314 756 F C 0.199 176.020 175.800 0.035 0.000 1.075 756 F CA -0.586 57.434 58.000 0.034 0.000 0.945 756 F CB 2.332 41.363 39.000 0.051 0.000 1.310 756 F HN 0.843 nan 8.300 nan 0.000 0.467 757 A N 1.863 124.818 122.820 0.226 0.000 2.612 757 A HA 0.801 5.124 4.320 0.005 0.000 0.293 757 A C -1.233 176.482 177.584 0.219 0.000 1.075 757 A CA -0.972 51.165 52.037 0.167 0.000 0.680 757 A CB 1.720 20.744 19.000 0.039 0.000 1.279 757 A HN 0.826 nan 8.150 nan 0.000 0.411 758 M N 1.108 120.862 119.600 0.256 0.000 2.188 758 M HA 0.684 5.167 4.480 0.005 0.000 0.357 758 M C -0.844 175.598 176.300 0.237 0.000 1.204 758 M CA -0.543 54.932 55.300 0.292 0.000 1.095 758 M CB 0.961 33.776 32.600 0.357 0.000 1.604 758 M HN 0.253 nan 8.290 nan 0.000 0.464 759 V N 4.053 124.030 119.914 0.104 0.000 2.637 759 V HA 0.038 4.161 4.120 0.005 0.000 0.296 759 V C -0.864 175.253 176.094 0.039 0.000 1.046 759 V CA 0.246 62.579 62.300 0.056 0.000 1.066 759 V CB 0.177 31.977 31.823 -0.038 0.000 0.968 759 V HN 0.841 nan 8.190 nan 0.000 0.483 760 Y N 6.078 126.429 120.300 0.085 0.000 2.594 760 Y HA 0.382 4.935 4.550 0.005 0.000 0.338 760 Y C -2.418 173.543 175.900 0.100 0.000 1.019 760 Y CA -2.593 55.606 58.100 0.164 0.000 1.306 760 Y CB 2.026 40.665 38.460 0.297 0.000 1.094 760 Y HN 0.546 nan 8.280 nan 0.000 0.534 761 P HA 0.048 nan 4.420 nan 0.000 0.267 761 P C -1.172 176.283 177.300 0.259 0.000 1.205 761 P CA 0.332 63.541 63.100 0.181 0.000 0.765 761 P CB 1.033 32.779 31.700 0.077 0.000 0.828 762 V N 3.490 123.511 119.914 0.179 0.000 2.488 762 V HA 0.294 4.417 4.120 0.005 0.000 0.293 762 V C 1.118 177.267 176.094 0.092 0.000 1.027 762 V CA -0.361 62.018 62.300 0.132 0.000 0.862 762 V CB 1.242 33.116 31.823 0.085 0.000 1.008 762 V HN 0.591 nan 8.190 nan 0.000 0.428 763 A N 3.216 126.082 122.820 0.077 0.000 1.986 763 A HA -0.156 4.167 4.320 0.005 0.000 0.220 763 A C 1.762 179.382 177.584 0.060 0.000 1.171 763 A CA 2.042 54.117 52.037 0.063 0.000 0.640 763 A CB -0.134 18.895 19.000 0.049 0.000 0.811 763 A HN 0.847 nan 8.150 nan 0.000 0.451 764 E N -0.378 119.851 120.200 0.049 0.000 2.358 764 E HA 0.048 4.401 4.350 0.005 0.000 0.195 764 E C 0.290 176.935 176.600 0.074 0.000 1.010 764 E CA 0.065 56.494 56.400 0.049 0.000 0.856 764 E CB -0.045 29.664 29.700 0.015 0.000 0.795 764 E HN 0.475 nan 8.360 nan 0.000 0.504 765 I N 2.214 122.835 120.570 0.085 0.000 2.556 765 I HA -0.005 4.168 4.170 0.005 0.000 0.284 765 I C 0.645 176.844 176.117 0.138 0.000 1.114 765 I CA -0.007 61.364 61.300 0.118 0.000 1.418 765 I CB 0.432 38.506 38.000 0.123 0.000 1.394 765 I HN -0.034 nan 8.210 nan 0.000 0.552 766 K N 6.218 126.718 120.400 0.166 0.000 2.202 766 K HA 0.242 4.565 4.320 0.005 0.000 0.264 766 K C 0.243 176.954 176.600 0.184 0.000 1.010 766 K CA -0.632 55.750 56.287 0.158 0.000 0.940 766 K CB 0.712 33.307 32.500 0.159 0.000 0.983 766 K HN 0.414 nan 8.250 nan 0.000 0.475 767 R N 0.402 120.994 120.500 0.155 0.000 2.623 767 R HA -0.024 4.319 4.340 0.005 0.000 0.271 767 R C 0.984 177.401 176.300 0.194 0.000 1.043 767 R CA 1.015 57.217 56.100 0.170 0.000 1.083 767 R CB 0.098 30.467 30.300 0.115 0.000 0.974 767 R HN 1.035 nan 8.270 nan 0.000 0.436 768 G N 1.344 110.282 108.800 0.231 0.000 2.184 768 G HA2 -0.304 3.660 3.960 0.005 0.000 0.264 768 G HA3 -0.304 3.660 3.960 0.005 0.000 0.264 768 G C 0.021 175.162 174.900 0.401 0.000 0.975 768 G CA 0.220 45.428 45.100 0.180 0.000 0.642 768 G HN 0.581 nan 8.290 nan 0.000 0.536 769 Q N -0.227 119.831 119.800 0.431 0.000 2.399 769 Q HA 0.727 5.071 4.340 0.005 0.000 0.276 769 Q C 0.035 176.207 176.000 0.287 0.000 1.098 769 Q CA -0.140 55.926 55.803 0.438 0.000 0.827 769 Q CB 2.396 31.432 28.738 0.498 0.000 1.386 769 Q HN 0.588 nan 8.270 nan 0.000 0.443 770 T N -2.184 112.425 114.554 0.091 0.000 2.762 770 T HA 0.720 5.073 4.350 0.005 0.000 0.301 770 T C -1.569 173.067 174.700 -0.107 0.000 1.299 770 T CA -0.719 61.367 62.100 -0.022 0.000 1.005 770 T CB 1.264 70.036 68.868 -0.161 0.000 1.377 770 T HN 0.502 nan 8.240 nan 0.000 0.504 771 F N 1.266 121.083 119.950 -0.222 0.000 2.585 771 F HA 0.719 5.250 4.527 0.006 0.000 0.319 771 F C -1.101 174.539 175.800 -0.268 0.000 1.165 771 F CA -0.987 56.844 58.000 -0.281 0.000 0.949 771 F CB 1.975 40.860 39.000 -0.191 0.000 1.218 771 F HN 0.905 nan 8.300 nan 0.000 0.453 772 M N 7.462 126.486 119.600 -0.961 0.000 2.383 772 M HA 0.472 4.955 4.480 0.005 0.000 0.325 772 M C -1.488 174.191 176.300 -1.034 0.000 1.092 772 M CA -1.279 53.541 55.300 -0.801 0.000 0.961 772 M CB 1.471 33.771 32.600 -0.500 0.000 1.672 772 M HN 0.760 nan 8.290 nan 0.000 0.438 773 L N 5.934 126.582 121.223 -0.957 0.000 2.559 773 L HA 0.185 4.528 4.340 0.005 0.000 0.274 773 L C -0.925 175.685 176.870 -0.433 0.000 1.205 773 L CA 0.635 55.033 54.840 -0.736 0.000 0.907 773 L CB -0.022 41.501 42.059 -0.892 0.000 1.153 773 L HN 0.604 nan 8.230 nan 0.000 0.490 774 F N 4.500 124.199 119.950 -0.417 0.000 2.370 774 F HA 0.639 5.169 4.527 0.005 0.000 0.319 774 F C 1.236 176.947 175.800 -0.149 0.000 1.129 774 F CA -1.066 56.770 58.000 -0.274 0.000 1.109 774 F CB 0.450 39.301 39.000 -0.248 0.000 1.262 774 F HN 0.800 nan 8.300 nan 0.000 0.534 775 G N 1.309 109.729 108.800 -0.634 0.000 2.269 775 G HA2 -0.369 3.594 3.960 0.005 0.000 0.277 775 G HA3 -0.369 3.594 3.960 0.005 0.000 0.277 775 G C -0.184 174.470 174.900 -0.410 0.000 1.008 775 G CA 0.623 45.331 45.100 -0.654 0.000 0.774 775 G HN 1.012 nan 8.290 nan 0.000 0.511 776 Y N -0.778 119.272 120.300 -0.416 0.000 2.298 776 Y HA 0.306 4.859 4.550 0.006 0.000 0.329 776 Y C 1.891 177.679 175.900 -0.185 0.000 1.293 776 Y CA -0.184 57.738 58.100 -0.297 0.000 1.388 776 Y CB 1.125 39.433 38.460 -0.253 0.000 1.309 776 Y HN 0.336 nan 8.280 nan 0.000 0.544 777 V N 0.033 119.484 119.914 -0.771 0.000 3.380 777 V HA 0.035 4.159 4.120 0.005 0.000 0.268 777 V C -0.087 175.816 176.094 -0.319 0.000 1.168 777 V CA 1.130 63.116 62.300 -0.525 0.000 1.156 777 V CB -0.633 30.826 31.823 -0.606 0.000 0.785 777 V HN 0.715 nan 8.190 nan 0.000 0.487 778 N N 1.222 119.811 118.700 -0.186 0.000 2.640 778 N HA 0.491 5.235 4.740 0.005 0.000 0.262 778 N C -0.182 175.428 175.510 0.167 0.000 1.174 778 N CA 0.467 53.534 53.050 0.028 0.000 0.791 778 N CB 0.797 39.331 38.487 0.078 0.000 1.279 778 N HN 0.758 nan 8.380 nan 0.000 0.535 779 G N 3.072 111.944 108.800 0.120 0.000 2.780 779 G HA2 -0.133 3.830 3.960 0.005 0.000 0.364 779 G HA3 -0.133 3.830 3.960 0.005 0.000 0.364 779 G C -0.531 174.408 174.900 0.065 0.000 1.045 779 G CA -0.590 44.594 45.100 0.139 0.000 1.202 779 G HN 0.524 nan 8.290 nan 0.000 0.534 780 I N 2.535 123.122 120.570 0.029 0.000 2.379 780 I HA 0.112 4.285 4.170 0.005 0.000 0.290 780 I C 1.705 177.800 176.117 -0.037 0.000 1.063 780 I CA -0.536 60.754 61.300 -0.017 0.000 1.351 780 I CB 1.585 39.572 38.000 -0.021 0.000 1.410 780 I HN 0.529 nan 8.210 nan 0.000 0.505 781 Q N 5.239 124.999 119.800 -0.066 0.000 2.119 781 Q HA -0.124 4.220 4.340 0.005 0.000 0.201 781 Q C 1.971 177.940 176.000 -0.052 0.000 0.972 781 Q CA 1.839 57.587 55.803 -0.090 0.000 0.847 781 Q CB 0.014 28.673 28.738 -0.131 0.000 0.903 781 Q HN 0.950 nan 8.270 nan 0.000 0.433 782 G N 0.613 109.413 108.800 0.000 0.000 2.501 782 G HA2 -0.245 3.719 3.960 0.005 0.000 0.220 782 G HA3 -0.245 3.719 3.960 0.005 0.000 0.220 782 G C 0.797 175.709 174.900 0.019 0.000 1.114 782 G CA 0.906 46.029 45.100 0.038 0.000 0.757 782 G HN 0.381 nan 8.290 nan 0.000 0.559 783 D N -0.028 120.371 120.400 -0.001 0.000 2.221 783 D HA -0.111 4.533 4.640 0.005 0.000 0.204 783 D C 2.630 178.949 176.300 0.032 0.000 0.982 783 D CA 1.350 55.356 54.000 0.010 0.000 0.857 783 D CB -0.050 40.742 40.800 -0.012 0.000 0.934 783 D HN 0.428 nan 8.370 nan 0.000 0.475 784 V N -2.130 117.779 119.914 -0.009 0.000 3.621 784 V HA 0.199 4.322 4.120 0.005 0.000 0.285 784 V C 0.760 176.830 176.094 -0.040 0.000 1.346 784 V CA 0.092 62.389 62.300 -0.004 0.000 1.104 784 V CB -0.733 31.044 31.823 -0.077 0.000 0.913 784 V HN 0.052 nan 8.190 nan 0.000 0.432 785 T N 0.201 114.714 114.554 -0.067 0.000 2.882 785 T HA 0.492 4.845 4.350 0.005 0.000 0.287 785 T C 0.496 174.980 174.700 -0.360 0.000 1.014 785 T CA 0.496 62.504 62.100 -0.154 0.000 1.049 785 T CB 1.324 70.150 68.868 -0.069 0.000 1.001 785 T HN 0.715 nan 8.240 nan 0.000 0.525 786 T N -1.054 113.159 114.554 -0.568 0.000 2.849 786 T HA 0.279 4.632 4.350 0.005 0.000 0.276 786 T C 0.800 175.209 174.700 -0.485 0.000 0.971 786 T CA -0.296 61.114 62.100 -1.151 0.000 0.949 786 T CB 0.754 69.050 68.868 -0.952 0.000 1.093 786 T HN 0.743 nan 8.240 nan 0.000 0.545 787 D N -1.698 118.532 120.400 -0.283 0.000 2.340 787 D HA -0.027 4.616 4.640 0.005 0.000 0.220 787 D C 0.109 176.505 176.300 0.160 0.000 1.039 787 D CA -0.548 53.506 54.000 0.090 0.000 0.866 787 D CB -0.455 40.487 40.800 0.237 0.000 0.913 787 D HN 0.631 nan 8.370 nan 0.000 0.523 788 W N 2.951 124.231 121.300 -0.033 0.000 2.210 788 W HA 0.282 4.945 4.660 0.006 0.000 0.330 788 W C 0.157 176.687 176.519 0.017 0.000 1.334 788 W CA 0.514 57.887 57.345 0.046 0.000 1.227 788 W CB 0.769 30.275 29.460 0.076 0.000 1.178 788 W HN -0.065 nan 8.180 nan 0.000 0.560 789 T N 2.596 116.565 114.554 -0.975 0.000 2.896 789 T HA 0.335 4.688 4.350 0.005 0.000 0.297 789 T C -0.278 173.492 174.700 -1.549 0.000 1.108 789 T CA -1.068 60.479 62.100 -0.922 0.000 1.004 789 T CB 1.671 70.163 68.868 -0.626 0.000 1.159 789 T HN 0.508 nan 8.240 nan 0.000 0.499 790 D N 0.597 120.499 120.400 -0.830 0.000 2.414 790 D HA 0.104 4.747 4.640 0.005 0.000 0.259 790 D C 1.615 177.723 176.300 -0.320 0.000 1.269 790 D CA -0.738 52.985 54.000 -0.461 0.000 1.028 790 D CB 0.515 41.338 40.800 0.039 0.000 1.093 790 D HN 0.836 nan 8.370 nan 0.000 0.545 791 R N -0.793 119.603 120.500 -0.173 0.000 2.200 791 R HA -0.132 4.211 4.340 0.005 0.000 0.234 791 R C -0.035 176.142 176.300 -0.206 0.000 1.127 791 R CA 1.418 57.403 56.100 -0.192 0.000 0.989 791 R CB -0.369 29.795 30.300 -0.225 0.000 0.869 791 R HN 0.308 nan 8.270 nan 0.000 0.459 792 D N 0.874 121.170 120.400 -0.173 0.000 2.424 792 D HA 0.228 4.871 4.640 0.005 0.000 0.220 792 D C 0.240 176.470 176.300 -0.117 0.000 1.150 792 D CA -0.017 53.891 54.000 -0.153 0.000 0.831 792 D CB 0.374 41.090 40.800 -0.139 0.000 0.981 792 D HN 0.299 nan 8.370 nan 0.000 0.500 793 I N 0.730 121.178 120.570 -0.204 0.000 6.063 793 I HA -0.247 3.927 4.170 0.005 0.000 0.126 793 I C -0.616 175.361 176.117 -0.233 0.000 1.820 793 I CA 0.221 61.332 61.300 -0.315 0.000 2.040 793 I CB -1.280 36.517 38.000 -0.337 0.000 3.431 793 I HN 0.069 nan 8.210 nan 0.000 0.170 794 I N 3.144 123.649 120.570 -0.108 0.000 2.304 794 I HA 0.365 4.538 4.170 0.005 0.000 0.291 794 I C -1.832 174.283 176.117 -0.003 0.000 1.018 794 I CA -1.973 59.369 61.300 0.070 0.000 1.260 794 I CB 0.829 38.991 38.000 0.270 0.000 1.390 794 I HN -0.155 nan 8.210 nan 0.000 0.475 795 P HA 0.026 nan 4.420 nan 0.000 0.271 795 P C -0.508 176.875 177.300 0.138 0.000 1.218 795 P CA -0.011 62.932 63.100 -0.263 0.000 0.780 795 P CB 0.319 31.425 31.700 -0.989 0.000 0.901 796 Y N 2.577 122.996 120.300 0.197 0.000 2.667 796 Y HA 0.096 4.649 4.550 0.005 0.000 0.340 796 Y C 0.409 176.432 175.900 0.204 0.000 1.303 796 Y CA -0.535 57.773 58.100 0.348 0.000 1.769 796 Y CB -0.425 38.305 38.460 0.450 0.000 1.804 796 Y HN 0.387 nan 8.280 nan 0.000 0.451 797 Y N 0.844 121.276 120.300 0.220 0.000 2.333 797 Y HA -0.206 4.347 4.550 0.005 0.000 0.290 797 Y C 1.714 177.619 175.900 0.009 0.000 1.144 797 Y CA 0.897 58.985 58.100 -0.020 0.000 1.228 797 Y CB 0.149 38.470 38.460 -0.232 0.000 0.985 797 Y HN 0.271 nan 8.280 nan 0.000 0.542 798 K N 0.095 120.727 120.400 0.386 0.000 2.458 798 K HA 0.176 4.499 4.320 0.005 0.000 0.194 798 K C 0.546 177.215 176.600 0.116 0.000 1.024 798 K CA 0.357 56.824 56.287 0.299 0.000 1.108 798 K CB 0.009 32.847 32.500 0.564 0.000 0.846 798 K HN 0.178 nan 8.250 nan 0.000 0.518 799 G N 0.822 109.311 108.800 -0.517 0.000 2.955 799 G HA2 0.346 4.309 3.960 0.005 0.000 0.336 799 G HA3 0.346 4.309 3.960 0.005 0.000 0.336 799 G C -0.900 173.790 174.900 -0.349 0.000 1.264 799 G CA -0.122 44.379 45.100 -0.998 0.000 1.096 799 G HN -0.003 nan 8.290 nan 0.000 0.486 800 T N 1.040 115.546 114.554 -0.081 0.000 2.977 800 T HA 0.560 4.913 4.350 0.005 0.000 0.345 800 T C -1.943 172.796 174.700 0.065 0.000 1.562 800 T CA -0.578 61.564 62.100 0.070 0.000 1.090 800 T CB 1.194 70.005 68.868 -0.095 0.000 1.383 800 T HN 0.406 nan 8.240 nan 0.000 0.484 801 W N 1.832 123.192 121.300 0.100 0.000 2.950 801 W HA 0.663 5.326 4.660 0.005 0.000 0.340 801 W C 0.189 176.728 176.519 0.033 0.000 1.139 801 W CA -0.823 56.612 57.345 0.150 0.000 1.188 801 W CB 2.275 31.863 29.460 0.212 0.000 1.426 801 W HN 1.118 nan 8.180 nan 0.000 0.531 802 G N 1.223 110.123 108.800 0.166 0.000 2.608 802 G HA2 0.366 4.329 3.960 0.005 0.000 0.291 802 G HA3 0.366 4.329 3.960 0.005 0.000 0.291 802 G C -1.878 172.980 174.900 -0.069 0.000 1.425 802 G CA -0.558 44.415 45.100 -0.212 0.000 0.787 802 G HN 0.200 nan 8.290 nan 0.000 0.484 803 D N -0.656 119.472 120.400 -0.453 0.000 2.326 803 D HA 0.688 5.331 4.640 0.005 0.000 0.251 803 D C -0.173 175.912 176.300 -0.358 0.000 1.023 803 D CA -0.083 53.764 54.000 -0.255 0.000 0.966 803 D CB 2.029 42.622 40.800 -0.344 0.000 1.156 803 D HN 0.270 nan 8.370 nan 0.000 0.494 804 I N 0.829 121.393 120.570 -0.010 0.000 2.498 804 I HA 0.361 4.534 4.170 0.005 0.000 0.290 804 I C -0.206 176.003 176.117 0.153 0.000 1.032 804 I CA -0.752 60.541 61.300 -0.012 0.000 1.073 804 I CB 2.252 40.112 38.000 -0.233 0.000 1.251 804 I HN -0.001 nan 8.210 nan 0.000 0.426 805 R N 5.940 126.561 120.500 0.201 0.000 2.561 805 R HA 0.384 4.727 4.340 0.005 0.000 0.297 805 R C -0.891 175.491 176.300 0.137 0.000 0.969 805 R CA -0.812 55.410 56.100 0.204 0.000 0.879 805 R CB 1.961 32.417 30.300 0.261 0.000 1.178 805 R HN 0.572 nan 8.270 nan 0.000 0.445 806 K N 3.253 123.718 120.400 0.108 0.000 2.379 806 K HA 0.080 4.403 4.320 0.005 0.000 0.284 806 K C 0.195 176.853 176.600 0.096 0.000 1.044 806 K CA -0.188 56.151 56.287 0.086 0.000 0.974 806 K CB 1.173 33.710 32.500 0.062 0.000 0.962 806 K HN 0.476 nan 8.250 nan 0.000 0.474 807 V N 2.914 122.892 119.914 0.106 0.000 2.581 807 V HA 0.246 4.369 4.120 0.005 0.000 0.240 807 V C 0.930 177.048 176.094 0.039 0.000 1.054 807 V CA 1.108 63.465 62.300 0.094 0.000 1.076 807 V CB 0.294 32.194 31.823 0.128 0.000 0.748 807 V HN 1.069 nan 8.190 nan 0.000 0.474 808 G N -0.808 108.008 108.800 0.026 0.000 2.320 808 G HA2 0.298 4.261 3.960 0.005 0.000 0.297 808 G HA3 0.298 4.261 3.960 0.005 0.000 0.297 808 G C -1.139 173.748 174.900 -0.021 0.000 1.344 808 G CA 0.152 45.249 45.100 -0.005 0.000 0.851 808 G HN 0.126 nan 8.290 nan 0.000 0.567 809 S N -0.591 115.086 115.700 -0.038 0.000 2.452 809 S HA 0.511 4.984 4.470 0.005 0.000 0.284 809 S C 0.306 174.850 174.600 -0.093 0.000 1.171 809 S CA -0.320 57.850 58.200 -0.050 0.000 1.064 809 S CB 0.577 63.752 63.200 -0.041 0.000 0.967 809 S HN 0.797 nan 8.310 nan 0.000 0.484 810 M N 5.835 125.356 119.600 -0.131 0.000 2.435 810 M HA 0.362 4.845 4.480 0.005 0.000 0.344 810 M C 1.016 177.208 176.300 -0.180 0.000 1.329 810 M CA 0.278 55.396 55.300 -0.304 0.000 1.320 810 M CB -0.241 31.915 32.600 -0.739 0.000 1.309 810 M HN 0.676 nan 8.290 nan 0.000 0.451 811 S N 2.034 117.662 115.700 -0.121 0.000 2.387 811 S HA -0.185 4.288 4.470 0.005 0.000 0.230 811 S C 1.562 176.161 174.600 -0.001 0.000 1.035 811 S CA 1.768 59.942 58.200 -0.044 0.000 1.014 811 S CB -0.190 62.985 63.200 -0.041 0.000 0.836 811 S HN 0.830 nan 8.310 nan 0.000 0.466 812 E N 0.595 120.772 120.200 -0.038 0.000 2.152 812 E HA -0.040 4.313 4.350 0.005 0.000 0.192 812 E C 1.496 178.235 176.600 0.232 0.000 0.983 812 E CA 0.894 57.327 56.400 0.056 0.000 0.818 812 E CB -0.241 29.474 29.700 0.025 0.000 0.758 812 E HN 0.405 nan 8.360 nan 0.000 0.467 813 F N 1.171 121.165 119.950 0.073 0.000 2.146 813 F HA -0.026 4.504 4.527 0.005 0.000 0.298 813 F C 1.943 177.857 175.800 0.190 0.000 1.096 813 F CA 1.097 59.179 58.000 0.137 0.000 1.275 813 F CB -0.786 38.338 39.000 0.208 0.000 1.008 813 F HN 0.069 nan 8.300 nan 0.000 0.480 814 K N -0.140 120.460 120.400 0.333 0.000 2.147 814 K HA -0.175 4.148 4.320 0.005 0.000 0.205 814 K C 2.209 178.902 176.600 0.155 0.000 1.049 814 K CA 1.125 57.553 56.287 0.236 0.000 0.936 814 K CB -0.194 32.370 32.500 0.106 0.000 0.722 814 K HN 0.136 nan 8.250 nan 0.000 0.446 815 R N 0.743 121.314 120.500 0.119 0.000 2.115 815 R HA -0.080 4.263 4.340 0.005 0.000 0.226 815 R C 1.760 178.089 176.300 0.048 0.000 1.100 815 R CA 1.800 57.941 56.100 0.068 0.000 0.980 815 R CB 0.183 30.514 30.300 0.052 0.000 0.875 815 R HN 0.313 nan 8.270 nan 0.000 0.445 816 T N -3.956 110.635 114.554 0.061 0.000 2.958 816 T HA 0.251 4.605 4.350 0.005 0.000 0.256 816 T C 0.254 174.901 174.700 -0.089 0.000 0.983 816 T CA -0.388 61.712 62.100 0.001 0.000 0.924 816 T CB 0.606 69.490 68.868 0.026 0.000 1.136 816 T HN -0.133 nan 8.240 nan 0.000 0.506 817 V N 2.529 122.366 119.914 -0.129 0.000 2.427 817 V HA 0.593 4.716 4.120 0.005 0.000 0.286 817 V C 0.323 176.042 176.094 -0.625 0.000 1.034 817 V CA -0.882 61.157 62.300 -0.434 0.000 0.893 817 V CB 1.438 32.884 31.823 -0.629 0.000 0.982 817 V HN 0.445 nan 8.190 nan 0.000 0.452 818 S N 3.529 118.864 115.700 -0.608 0.000 2.528 818 S HA 0.427 4.901 4.470 0.005 0.000 0.277 818 S C -0.094 173.984 174.600 -0.870 0.000 1.297 818 S CA -0.262 57.636 58.200 -0.505 0.000 1.052 818 S CB -0.035 62.989 63.200 -0.294 0.000 0.917 818 S HN 0.487 nan 8.310 nan 0.000 0.492 819 F N 3.286 123.024 119.950 -0.354 0.000 2.772 819 F HA 0.392 4.922 4.527 0.005 0.000 0.302 819 F C 0.993 176.653 175.800 -0.233 0.000 1.136 819 F CA -0.550 57.031 58.000 -0.699 0.000 1.322 819 F CB 0.234 38.860 39.000 -0.624 0.000 0.967 819 F HN 0.371 nan 8.300 nan 0.000 0.513 820 K N 0.003 120.412 120.400 0.014 0.000 2.120 820 K HA 0.235 4.558 4.320 0.005 0.000 0.245 820 K C 0.731 177.437 176.600 0.177 0.000 1.024 820 K CA -0.403 55.934 56.287 0.083 0.000 0.906 820 K CB 0.746 33.252 32.500 0.011 0.000 1.051 820 K HN -0.022 nan 8.250 nan 0.000 0.491 821 S N 0.498 116.258 115.700 0.100 0.000 2.537 821 S HA 0.012 4.485 4.470 0.005 0.000 0.286 821 S C 0.687 175.300 174.600 0.022 0.000 1.299 821 S CA -0.129 58.111 58.200 0.067 0.000 1.067 821 S CB 0.282 63.489 63.200 0.011 0.000 0.864 821 S HN 0.445 nan 8.310 nan 0.000 0.494 822 R N 2.637 123.125 120.500 -0.020 0.000 2.334 822 R HA 0.165 4.509 4.340 0.005 0.000 0.220 822 R C -0.119 176.159 176.300 -0.038 0.000 0.917 822 R CA 0.103 56.182 56.100 -0.036 0.000 1.073 822 R CB 0.203 30.438 30.300 -0.109 0.000 1.056 822 R HN 0.395 nan 8.270 nan 0.000 0.506 823 R N 0.645 121.117 120.500 -0.047 0.000 2.229 823 R HA 0.152 4.495 4.340 0.005 0.000 0.332 823 R C -0.998 175.292 176.300 -0.017 0.000 0.989 823 R CA -0.501 55.568 56.100 -0.051 0.000 0.842 823 R CB 0.550 30.810 30.300 -0.067 0.000 1.119 823 R HN -0.043 nan 8.270 nan 0.000 0.456 824 F N 2.877 122.726 119.950 -0.168 0.000 2.533 824 F HA 0.413 4.943 4.527 0.006 0.000 0.378 824 F C 0.761 176.469 175.800 -0.154 0.000 1.070 824 F CA 1.182 59.072 58.000 -0.182 0.000 1.172 824 F CB 0.292 39.131 39.000 -0.269 0.000 1.085 824 F HN 0.602 nan 8.300 nan 0.000 0.552 825 G N 0.000 108.604 108.800 -0.327 0.000 5.446 825 G HA2 0.000 3.963 3.960 0.005 0.000 0.244 825 G HA3 0.000 3.963 3.960 0.005 0.000 0.244 825 G CA 0.000 44.999 45.100 -0.168 0.000 0.502 825 G HN 0.000 nan 8.290 nan 0.000 0.925