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 1j0h_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRKEAIYHRP ADNFAYAYDS ETLHLRLRTK KDDIDRVELL HGDPYDWQNG DATA SEQUENCE AWQFQMMPMR KTGSDELFDY WFAEVKPPYR RLRYGFVLYS GEEKLVYTEK DATA SEQUENCE GFYFEVPTDD TAYYFCFPFL HRVDLFEAPD WVKDTVWYQI FPERFANGNP DATA SEQUENCE SISPEGSRPW GSEDPTPTSF FGGDLQGIID HLDYLVDLGI TGIYLTPIFR DATA SEQUENCE SPSNHKYDTA DYFEVDPHFG DKETLKTLID RCHEKGIRVM LDAVFNHCGY DATA SEQUENCE EFAPFQDVWK NGESSKYKDW FHIHEFPLQT EPRPNYDTFA FVPQMPKLNT DATA SEQUENCE ANPEVKRYLL DVATYWIREF DIDGWRLDVA NEIDHEFWRE FRQEVKALKP DATA SEQUENCE DVYILGEIWH DAMPWLRGDQ FDAVMNYPFT DGVLRFFAKE EISARQFANQ DATA SEQUENCE MMHVLHSYPN NVNEAAFNLL GSHDTSRILT VCGGDIRKVK LLFLFQLTFT DATA SEQUENCE GSPCIYYGDE IGMTGGNDPE CRKCMVWDPM QQNKELHQHV KQLIALRKQY DATA SEQUENCE RSLRRGEISF LHADDEMNYL IYKKTDGDET VLVIINRSDQ KADIPIPLDA DATA SEQUENCE RGTWLVNLLT GERFAAEAET LCTSLPPYGF VLYAIEHW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.217 176.300 -0.138 0.000 1.140 1 M CA 0.000 55.239 55.300 -0.103 0.000 0.988 1 M CB 0.000 32.508 32.600 -0.153 0.000 1.302 2 R N 3.038 123.477 120.500 -0.102 0.000 2.419 2 R HA 0.256 4.592 4.340 -0.006 0.000 0.305 2 R C 0.567 176.776 176.300 -0.152 0.000 1.242 2 R CA -0.121 55.918 56.100 -0.102 0.000 1.105 2 R CB 0.280 30.556 30.300 -0.039 0.000 1.116 2 R HN 0.697 nan 8.270 nan 0.000 0.523 3 K N 1.289 121.519 120.400 -0.283 0.000 2.152 3 K HA -0.198 4.118 4.320 -0.006 0.000 0.206 3 K C 0.938 177.443 176.600 -0.158 0.000 1.048 3 K CA 1.554 57.578 56.287 -0.439 0.000 0.933 3 K CB 0.281 32.330 32.500 -0.752 0.000 0.721 3 K HN 0.331 nan 8.250 nan 0.000 0.447 4 E N 0.259 120.410 120.200 -0.082 0.000 2.333 4 E HA -0.125 4.222 4.350 -0.006 0.000 0.198 4 E C 1.439 178.072 176.600 0.056 0.000 1.007 4 E CA 1.060 57.464 56.400 0.007 0.000 0.845 4 E CB 0.029 29.733 29.700 0.008 0.000 0.766 4 E HN 0.345 nan 8.360 nan 0.000 0.507 5 A N 0.087 122.943 122.820 0.059 0.000 2.348 5 A HA 0.219 4.536 4.320 -0.006 0.000 0.224 5 A C 0.669 178.282 177.584 0.048 0.000 1.227 5 A CA -0.271 51.855 52.037 0.149 0.000 0.885 5 A CB 0.090 19.234 19.000 0.240 0.000 0.933 5 A HN 0.074 nan 8.150 nan 0.000 0.506 6 I N -0.373 120.193 120.570 -0.006 0.000 2.519 6 I HA 0.374 4.540 4.170 -0.006 0.000 0.287 6 I C -0.412 175.673 176.117 -0.053 0.000 1.047 6 I CA -0.230 61.008 61.300 -0.104 0.000 1.381 6 I CB 0.850 38.719 38.000 -0.217 0.000 1.417 6 I HN 0.322 nan 8.210 nan 0.000 0.540 7 Y N 5.269 125.423 120.300 -0.244 0.000 2.521 7 Y HA 0.466 5.013 4.550 -0.006 0.000 0.328 7 Y C -1.281 174.488 175.900 -0.219 0.000 1.151 7 Y CA -0.827 57.168 58.100 -0.174 0.000 1.054 7 Y CB 1.454 39.746 38.460 -0.280 0.000 1.338 7 Y HN 0.670 nan 8.280 nan 0.000 0.453 8 H N 4.103 122.534 119.070 -1.065 0.000 3.112 8 H HA 0.665 5.217 4.556 -0.006 0.000 0.347 8 H C -1.879 172.722 175.328 -1.213 0.000 1.188 8 H CA -0.745 54.630 56.048 -1.122 0.000 1.240 8 H CB 1.432 30.800 29.762 -0.658 0.000 1.920 8 H HN 0.802 nan 8.280 nan 0.000 0.535 9 R N 4.622 124.194 120.500 -1.547 0.000 2.508 9 R HA 0.294 4.631 4.340 -0.006 0.000 0.283 9 R C -2.890 173.082 176.300 -0.547 0.000 1.120 9 R CA -2.017 53.623 56.100 -0.765 0.000 0.958 9 R CB 1.768 31.809 30.300 -0.431 0.000 1.215 9 R HN 0.436 nan 8.270 nan 0.000 0.427 10 P HA -0.003 nan 4.420 nan 0.000 0.218 10 P C -1.223 176.215 177.300 0.230 0.000 1.473 10 P CA 0.725 63.946 63.100 0.202 0.000 0.957 10 P CB 0.144 32.042 31.700 0.331 0.000 1.772 11 A N -0.167 122.787 122.820 0.224 0.000 2.483 11 A HA 0.491 4.807 4.320 -0.006 0.000 0.294 11 A C -0.379 177.393 177.584 0.314 0.000 1.077 11 A CA -0.463 51.735 52.037 0.268 0.000 0.633 11 A CB 0.296 19.402 19.000 0.176 0.000 1.318 11 A HN 0.186 nan 8.150 nan 0.000 0.455 12 D N -0.067 120.495 120.400 0.270 0.000 3.750 12 D HA -0.284 4.352 4.640 -0.006 0.000 0.149 12 D C 0.990 177.439 176.300 0.248 0.000 0.867 12 D CA 2.050 56.187 54.000 0.229 0.000 1.010 12 D CB -0.766 40.167 40.800 0.221 0.000 0.462 12 D HN 0.944 nan 8.370 nan 0.000 0.436 13 N N 1.012 119.829 118.700 0.195 0.000 2.463 13 N HA -0.046 4.690 4.740 -0.006 0.000 0.181 13 N C 1.809 177.392 175.510 0.121 0.000 1.078 13 N CA 0.773 53.872 53.050 0.082 0.000 0.902 13 N CB -0.425 37.993 38.487 -0.115 0.000 0.970 13 N HN 0.362 nan 8.380 nan 0.000 0.451 14 F N 0.947 121.070 119.950 0.287 0.000 2.530 14 F HA 0.419 4.942 4.527 -0.007 0.000 0.292 14 F C 1.115 177.090 175.800 0.293 0.000 1.109 14 F CA 0.304 58.441 58.000 0.229 0.000 1.450 14 F CB 0.333 39.280 39.000 -0.089 0.000 1.114 14 F HN 0.077 nan 8.300 nan 0.000 0.560 15 A N -0.191 122.916 122.820 0.478 0.000 2.456 15 A HA 0.642 4.958 4.320 -0.006 0.000 0.288 15 A C -1.746 176.116 177.584 0.463 0.000 1.042 15 A CA -0.470 51.786 52.037 0.365 0.000 0.738 15 A CB 0.242 19.559 19.000 0.528 0.000 1.266 15 A HN 0.275 nan 8.150 nan 0.000 0.407 16 Y N -0.947 119.430 120.300 0.128 0.000 2.662 16 Y HA 0.763 5.309 4.550 -0.006 0.000 0.334 16 Y C -0.309 175.527 175.900 -0.107 0.000 1.185 16 Y CA -0.886 57.305 58.100 0.152 0.000 1.074 16 Y CB 0.761 39.324 38.460 0.173 0.000 1.330 16 Y HN 1.210 nan 8.280 nan 0.000 0.458 17 A N 1.688 124.616 122.820 0.180 0.000 2.320 17 A HA 0.381 4.698 4.320 -0.006 0.000 0.287 17 A C -0.418 177.258 177.584 0.154 0.000 1.181 17 A CA -0.351 51.698 52.037 0.020 0.000 0.831 17 A CB -0.091 18.995 19.000 0.143 0.000 1.102 17 A HN 0.981 nan 8.150 nan 0.000 0.513 18 Y N 2.313 122.500 120.300 -0.189 0.000 2.314 18 Y HA 0.126 4.672 4.550 -0.006 0.000 0.294 18 Y C 0.365 176.238 175.900 -0.045 0.000 1.119 18 Y CA 1.629 59.607 58.100 -0.203 0.000 1.179 18 Y CB 0.334 38.357 38.460 -0.728 0.000 1.025 18 Y HN 0.818 nan 8.280 nan 0.000 0.541 19 D N -2.941 117.426 120.400 -0.054 0.000 2.752 19 D HA 0.137 4.773 4.640 -0.006 0.000 0.313 19 D C 0.728 177.023 176.300 -0.008 0.000 1.225 19 D CA 0.070 54.028 54.000 -0.070 0.000 0.976 19 D CB 0.437 41.215 40.800 -0.037 0.000 1.443 19 D HN -0.085 nan 8.370 nan 0.000 0.515 20 S N -1.198 114.501 115.700 -0.000 0.000 2.493 20 S HA -0.148 4.319 4.470 -0.006 0.000 0.243 20 S C 0.732 175.321 174.600 -0.018 0.000 0.991 20 S CA 1.173 59.379 58.200 0.010 0.000 0.957 20 S CB -0.404 62.809 63.200 0.020 0.000 0.756 20 S HN 0.496 nan 8.310 nan 0.000 0.521 21 E N -0.048 120.138 120.200 -0.023 0.000 2.641 21 E HA 0.249 4.595 4.350 -0.006 0.000 0.224 21 E C -0.577 175.985 176.600 -0.064 0.000 0.951 21 E CA 0.137 56.506 56.400 -0.051 0.000 1.102 21 E CB 1.433 31.111 29.700 -0.037 0.000 1.091 21 E HN 0.427 nan 8.360 nan 0.000 0.507 22 T N 0.854 115.384 114.554 -0.041 0.000 2.824 22 T HA 0.584 4.931 4.350 -0.006 0.000 0.282 22 T C -0.333 174.289 174.700 -0.131 0.000 0.993 22 T CA -0.604 61.466 62.100 -0.049 0.000 0.967 22 T CB 1.302 70.210 68.868 0.067 0.000 0.960 22 T HN -0.066 nan 8.240 nan 0.000 0.441 23 L N 2.784 123.868 121.223 -0.232 0.000 2.331 23 L HA 0.545 4.881 4.340 -0.006 0.000 0.275 23 L C 0.048 176.727 176.870 -0.319 0.000 1.022 23 L CA -0.992 53.591 54.840 -0.427 0.000 0.812 23 L CB 1.358 43.041 42.059 -0.625 0.000 1.257 23 L HN 0.635 nan 8.230 nan 0.000 0.435 24 H N 3.150 121.793 119.070 -0.712 0.000 2.489 24 H HA 0.601 5.153 4.556 -0.006 0.000 0.343 24 H C -1.011 173.902 175.328 -0.690 0.000 1.086 24 H CA -0.830 54.763 56.048 -0.758 0.000 1.198 24 H CB 2.254 31.546 29.762 -0.784 0.000 1.490 24 H HN 0.297 nan 8.280 nan 0.000 0.504 25 L N 3.650 124.601 121.223 -0.453 0.000 2.386 25 L HA 0.550 4.886 4.340 -0.006 0.000 0.271 25 L C -0.234 176.657 176.870 0.035 0.000 0.993 25 L CA -0.691 54.045 54.840 -0.173 0.000 0.819 25 L CB 2.215 44.085 42.059 -0.314 0.000 1.294 25 L HN 0.498 nan 8.230 nan 0.000 0.414 26 R N 2.292 122.995 120.500 0.338 0.000 2.854 26 R HA 0.822 5.159 4.340 -0.006 0.000 0.271 26 R C -1.636 175.005 176.300 0.568 0.000 0.996 26 R CA -1.061 55.294 56.100 0.426 0.000 0.961 26 R CB 2.898 33.380 30.300 0.304 0.000 1.182 26 R HN 0.321 nan 8.270 nan 0.000 0.479 27 L N 1.295 122.799 121.223 0.468 0.000 2.482 27 L HA 0.476 4.813 4.340 -0.006 0.000 0.263 27 L C -1.310 175.828 176.870 0.445 0.000 0.957 27 L CA -0.513 54.499 54.840 0.286 0.000 0.836 27 L CB 1.869 43.789 42.059 -0.231 0.000 1.324 27 L HN 0.696 nan 8.230 nan 0.000 0.406 28 R N 1.762 122.473 120.500 0.351 0.000 2.711 28 R HA 0.966 5.302 4.340 -0.006 0.000 0.284 28 R C -1.155 175.168 176.300 0.039 0.000 0.968 28 R CA -0.111 56.051 56.100 0.104 0.000 0.924 28 R CB 1.934 32.166 30.300 -0.114 0.000 1.162 28 R HN 0.699 nan 8.270 nan 0.000 0.465 29 T N -1.346 113.269 114.554 0.102 0.000 2.841 29 T HA 0.317 4.663 4.350 -0.006 0.000 0.296 29 T C -0.786 174.071 174.700 0.262 0.000 1.166 29 T CA -1.231 60.967 62.100 0.164 0.000 1.007 29 T CB 1.332 70.347 68.868 0.245 0.000 1.253 29 T HN 0.701 nan 8.240 nan 0.000 0.511 30 K N 1.423 121.960 120.400 0.227 0.000 2.447 30 K HA 0.083 4.400 4.320 -0.006 0.000 0.281 30 K C 0.330 176.997 176.600 0.112 0.000 1.031 30 K CA -0.365 56.032 56.287 0.183 0.000 1.019 30 K CB 0.389 32.943 32.500 0.089 0.000 0.918 30 K HN 0.676 nan 8.250 nan 0.000 0.476 31 K N 4.198 124.618 120.400 0.033 0.000 2.504 31 K HA -0.191 4.125 4.320 -0.006 0.000 0.278 31 K C -0.529 176.085 176.600 0.023 0.000 1.025 31 K CA 0.986 57.274 56.287 0.002 0.000 1.093 31 K CB 0.188 32.646 32.500 -0.070 0.000 0.873 31 K HN 0.811 nan 8.250 nan 0.000 0.483 32 D N 2.101 122.534 120.400 0.055 0.000 3.006 32 D HA -0.233 4.403 4.640 -0.006 0.000 0.208 32 D C 0.470 176.823 176.300 0.088 0.000 1.116 32 D CA 1.698 55.740 54.000 0.069 0.000 0.998 32 D CB -0.731 40.086 40.800 0.028 0.000 1.124 32 D HN 0.828 nan 8.370 nan 0.000 0.413 33 D N -0.584 119.875 120.400 0.099 0.000 2.194 33 D HA -0.024 4.612 4.640 -0.006 0.000 0.204 33 D C 0.591 176.955 176.300 0.106 0.000 0.964 33 D CA 0.650 54.699 54.000 0.081 0.000 0.846 33 D CB 0.356 41.192 40.800 0.060 0.000 0.962 33 D HN 0.187 nan 8.370 nan 0.000 0.490 34 I N 1.284 121.963 120.570 0.181 0.000 2.377 34 I HA 0.165 4.331 4.170 -0.006 0.000 0.293 34 I C 0.602 176.882 176.117 0.272 0.000 0.987 34 I CA -0.492 60.914 61.300 0.177 0.000 1.185 34 I CB 1.684 39.755 38.000 0.118 0.000 1.341 34 I HN -0.089 nan 8.210 nan 0.000 0.455 35 D N 5.151 125.665 120.400 0.190 0.000 2.162 35 D HA 0.060 4.697 4.640 -0.006 0.000 0.205 35 D C 0.560 177.001 176.300 0.236 0.000 0.964 35 D CA 1.084 55.212 54.000 0.213 0.000 0.847 35 D CB 0.641 41.527 40.800 0.143 0.000 0.988 35 D HN 0.507 nan 8.370 nan 0.000 0.480 36 R N -0.698 119.849 120.500 0.077 0.000 2.739 36 R HA 0.629 4.966 4.340 -0.006 0.000 0.271 36 R C -1.415 174.739 176.300 -0.244 0.000 1.010 36 R CA -0.675 55.392 56.100 -0.055 0.000 0.897 36 R CB 2.906 33.171 30.300 -0.058 0.000 1.236 36 R HN -0.244 nan 8.270 nan 0.000 0.466 37 V N 1.409 121.087 119.914 -0.392 0.000 2.686 37 V HA 0.355 4.471 4.120 -0.006 0.000 0.306 37 V C -0.871 175.216 176.094 -0.012 0.000 1.065 37 V CA -0.818 61.297 62.300 -0.309 0.000 0.894 37 V CB 2.099 33.437 31.823 -0.808 0.000 1.004 37 V HN 0.711 nan 8.190 nan 0.000 0.424 38 E N 3.176 123.452 120.200 0.127 0.000 2.199 38 E HA 0.568 4.914 4.350 -0.006 0.000 0.269 38 E C -1.231 175.430 176.600 0.102 0.000 0.899 38 E CA -0.980 55.498 56.400 0.131 0.000 0.772 38 E CB 2.945 32.759 29.700 0.189 0.000 1.155 38 E HN 0.483 nan 8.360 nan 0.000 0.408 39 L N 3.949 125.199 121.223 0.045 0.000 2.265 39 L HA 0.319 4.655 4.340 -0.006 0.000 0.288 39 L C -1.344 175.492 176.870 -0.057 0.000 1.058 39 L CA -0.130 54.660 54.840 -0.084 0.000 0.809 39 L CB 0.425 42.399 42.059 -0.142 0.000 1.179 39 L HN 0.477 nan 8.230 nan 0.000 0.429 40 L N 6.459 127.540 121.223 -0.237 0.000 2.276 40 L HA 0.506 4.843 4.340 -0.006 0.000 0.286 40 L C -0.653 175.963 176.870 -0.423 0.000 1.061 40 L CA -0.516 54.108 54.840 -0.360 0.000 0.807 40 L CB 0.681 42.342 42.059 -0.663 0.000 1.177 40 L HN 0.840 nan 8.230 nan 0.000 0.429 41 H N 1.281 120.195 119.070 -0.260 0.000 3.016 41 H HA 0.924 5.476 4.556 -0.006 0.000 0.362 41 H C -0.618 174.836 175.328 0.210 0.000 1.233 41 H CA -0.688 55.314 56.048 -0.076 0.000 1.124 41 H CB 2.082 31.782 29.762 -0.103 0.000 1.850 41 H HN 0.643 nan 8.280 nan 0.000 0.549 42 G N -0.024 108.933 108.800 0.262 0.000 2.441 42 G HA2 0.201 4.157 3.960 -0.006 0.000 0.294 42 G HA3 0.201 4.157 3.960 -0.006 0.000 0.294 42 G C -1.881 173.140 174.900 0.201 0.000 1.393 42 G CA -0.795 44.410 45.100 0.175 0.000 0.796 42 G HN 0.808 nan 8.290 nan 0.000 0.494 43 D N 0.043 120.534 120.400 0.152 0.000 2.304 43 D HA 0.310 4.946 4.640 -0.006 0.000 0.250 43 D C -1.309 175.061 176.300 0.118 0.000 1.107 43 D CA -1.571 52.538 54.000 0.181 0.000 0.885 43 D CB 2.371 43.298 40.800 0.211 0.000 1.192 43 D HN -0.082 nan 8.370 nan 0.000 0.436 44 P HA -0.130 nan 4.420 nan 0.000 0.218 44 P C 0.051 177.235 177.300 -0.193 0.000 1.146 44 P CA 1.263 64.307 63.100 -0.093 0.000 0.813 44 P CB 0.000 31.545 31.700 -0.259 0.000 0.778 45 Y N -1.857 118.467 120.300 0.040 0.000 2.571 45 Y HA 0.122 4.668 4.550 -0.006 0.000 0.275 45 Y C 1.600 177.178 175.900 -0.536 0.000 1.179 45 Y CA -0.287 57.667 58.100 -0.242 0.000 1.242 45 Y CB -0.693 37.591 38.460 -0.293 0.000 1.126 45 Y HN -0.116 nan 8.280 nan 0.000 0.524 46 D N 0.879 121.179 120.400 -0.167 0.000 2.190 46 D HA -0.223 4.414 4.640 -0.006 0.000 0.200 46 D C 1.968 178.027 176.300 -0.402 0.000 0.992 46 D CA 1.419 55.270 54.000 -0.247 0.000 0.854 46 D CB -0.310 40.392 40.800 -0.164 0.000 0.936 46 D HN 0.633 nan 8.370 nan 0.000 0.462 47 W N 1.286 122.423 121.300 -0.271 0.000 2.350 47 W HA -0.173 4.483 4.660 -0.006 0.000 0.289 47 W C 1.404 177.735 176.519 -0.314 0.000 1.215 47 W CA 0.477 57.583 57.345 -0.399 0.000 1.236 47 W CB -1.102 28.372 29.460 0.024 0.000 1.130 47 W HN 0.075 nan 8.180 nan 0.000 0.541 48 Q N 1.006 120.185 119.800 -1.035 0.000 2.170 48 Q HA -0.149 4.187 4.340 -0.006 0.000 0.203 48 Q C 1.335 177.065 176.000 -0.449 0.000 0.976 48 Q CA 1.654 56.952 55.803 -0.841 0.000 0.858 48 Q CB -0.480 27.643 28.738 -1.025 0.000 0.907 48 Q HN 0.585 nan 8.270 nan 0.000 0.433 49 N N -0.851 117.567 118.700 -0.471 0.000 2.322 49 N HA 0.104 4.841 4.740 -0.006 0.000 0.194 49 N C 0.399 175.651 175.510 -0.431 0.000 1.126 49 N CA 0.198 53.032 53.050 -0.361 0.000 0.845 49 N CB 0.868 39.174 38.487 -0.303 0.000 0.976 49 N HN 0.286 nan 8.380 nan 0.000 0.475 50 G N 0.751 109.126 108.800 -0.708 0.000 2.143 50 G HA2 -0.290 3.666 3.960 -0.006 0.000 0.248 50 G HA3 -0.290 3.666 3.960 -0.006 0.000 0.248 50 G C 0.098 174.328 174.900 -1.117 0.000 0.991 50 G CA 0.132 44.525 45.100 -1.178 0.000 0.689 50 G HN 0.430 nan 8.290 nan 0.000 0.522 51 A N 0.138 122.451 122.820 -0.846 0.000 2.736 51 A HA 0.596 4.912 4.320 -0.006 0.000 0.335 51 A C 0.822 178.121 177.584 -0.475 0.000 1.446 51 A CA -0.270 51.476 52.037 -0.484 0.000 1.028 51 A CB -0.135 18.687 19.000 -0.297 0.000 1.154 51 A HN 0.514 nan 8.150 nan 0.000 0.507 52 W N 0.829 122.085 121.300 -0.073 0.000 3.197 52 W HA 0.054 4.710 4.660 -0.006 0.000 0.274 52 W C 0.932 177.301 176.519 -0.250 0.000 1.297 52 W CA 0.138 57.410 57.345 -0.122 0.000 1.662 52 W CB 0.056 29.479 29.460 -0.062 0.000 1.106 52 W HN 0.859 nan 8.180 nan 0.000 0.663 53 Q N -0.308 119.460 119.800 -0.053 0.000 2.226 53 Q HA 0.437 4.774 4.340 -0.006 0.000 0.256 53 Q C -0.833 175.031 176.000 -0.225 0.000 0.962 53 Q CA -0.579 55.150 55.803 -0.123 0.000 0.887 53 Q CB 1.162 29.897 28.738 -0.005 0.000 1.282 53 Q HN -0.213 nan 8.270 nan 0.000 0.449 54 F N 0.816 120.707 119.950 -0.098 0.000 2.378 54 F HA 0.239 4.763 4.527 -0.006 0.000 0.319 54 F C 0.752 176.431 175.800 -0.202 0.000 1.155 54 F CA -0.341 57.550 58.000 -0.181 0.000 1.157 54 F CB 1.061 39.933 39.000 -0.214 0.000 1.252 54 F HN 0.552 nan 8.300 nan 0.000 0.550 55 Q N 1.402 121.132 119.800 -0.117 0.000 2.221 55 Q HA 0.430 4.766 4.340 -0.006 0.000 0.242 55 Q C -0.622 175.241 176.000 -0.228 0.000 0.940 55 Q CA -0.777 54.862 55.803 -0.274 0.000 0.896 55 Q CB 1.816 30.205 28.738 -0.583 0.000 1.226 55 Q HN 0.416 nan 8.270 nan 0.000 0.463 56 M N 2.966 122.539 119.600 -0.046 0.000 2.465 56 M HA 0.506 4.982 4.480 -0.006 0.000 0.316 56 M C -1.936 174.444 176.300 0.132 0.000 1.121 56 M CA -0.507 54.829 55.300 0.061 0.000 0.934 56 M CB 1.932 34.567 32.600 0.059 0.000 1.692 56 M HN 0.858 nan 8.290 nan 0.000 0.444 57 M N 7.842 127.527 119.600 0.143 0.000 2.271 57 M HA 0.575 5.051 4.480 -0.006 0.000 0.285 57 M C -2.680 173.648 176.300 0.047 0.000 1.059 57 M CA -1.356 53.993 55.300 0.080 0.000 0.940 57 M CB 2.903 35.510 32.600 0.011 0.000 1.636 57 M HN 0.358 nan 8.290 nan 0.000 0.460 58 P HA 0.214 nan 4.420 nan 0.000 0.275 58 P C -1.226 176.126 177.300 0.086 0.000 1.227 58 P CA -0.107 63.031 63.100 0.063 0.000 0.781 58 P CB 0.791 32.525 31.700 0.056 0.000 0.906 59 M N 2.395 122.081 119.600 0.143 0.000 2.342 59 M HA 0.387 4.863 4.480 -0.006 0.000 0.332 59 M C 0.779 177.318 176.300 0.398 0.000 1.166 59 M CA -0.488 54.955 55.300 0.238 0.000 1.086 59 M CB 1.584 34.361 32.600 0.296 0.000 1.541 59 M HN 0.287 nan 8.290 nan 0.000 0.462 60 R N 1.749 122.479 120.500 0.383 0.000 2.460 60 R HA 0.311 4.648 4.340 -0.006 0.000 0.303 60 R C -0.768 175.676 176.300 0.240 0.000 0.968 60 R CA -0.688 55.603 56.100 0.319 0.000 0.889 60 R CB 1.295 31.719 30.300 0.207 0.000 1.123 60 R HN 0.592 nan 8.270 nan 0.000 0.455 61 K N 2.814 123.185 120.400 -0.048 0.000 2.338 61 K HA 0.041 4.358 4.320 -0.006 0.000 0.290 61 K C 0.313 176.820 176.600 -0.155 0.000 1.069 61 K CA 0.122 56.131 56.287 -0.463 0.000 0.941 61 K CB 0.784 32.807 32.500 -0.795 0.000 1.023 61 K HN 0.788 nan 8.250 nan 0.000 0.477 62 T N 0.453 114.977 114.554 -0.050 0.000 3.065 62 T HA 0.271 4.617 4.350 -0.006 0.000 0.252 62 T C 0.771 175.540 174.700 0.115 0.000 1.099 62 T CA 0.102 62.236 62.100 0.057 0.000 1.063 62 T CB 0.308 69.260 68.868 0.139 0.000 0.948 62 T HN 0.652 nan 8.240 nan 0.000 0.506 63 G N -0.388 108.420 108.800 0.013 0.000 2.320 63 G HA2 0.462 4.418 3.960 -0.006 0.000 0.297 63 G HA3 0.462 4.418 3.960 -0.006 0.000 0.297 63 G C -1.751 173.154 174.900 0.008 0.000 1.344 63 G CA -0.689 44.456 45.100 0.075 0.000 0.851 63 G HN 0.303 nan 8.290 nan 0.000 0.567 64 S N 0.009 115.764 115.700 0.092 0.000 2.541 64 S HA 0.720 5.186 4.470 -0.006 0.000 0.271 64 S C -0.855 173.823 174.600 0.130 0.000 1.133 64 S CA -0.544 57.705 58.200 0.082 0.000 0.876 64 S CB 2.185 65.387 63.200 0.004 0.000 1.105 64 S HN 1.058 nan 8.310 nan 0.000 0.470 65 D N 0.481 120.991 120.400 0.184 0.000 2.589 65 D HA 0.374 5.011 4.640 -0.006 0.000 0.268 65 D C 0.901 177.194 176.300 -0.012 0.000 1.182 65 D CA -0.559 53.527 54.000 0.144 0.000 1.087 65 D CB -0.055 40.957 40.800 0.354 0.000 1.186 65 D HN 0.294 nan 8.370 nan 0.000 0.620 66 E N -0.710 119.449 120.200 -0.068 0.000 2.097 66 E HA -0.092 4.254 4.350 -0.006 0.000 0.196 66 E C 1.889 178.349 176.600 -0.232 0.000 1.000 66 E CA 1.230 57.539 56.400 -0.152 0.000 0.804 66 E CB -0.137 29.462 29.700 -0.168 0.000 0.740 66 E HN 0.467 nan 8.360 nan 0.000 0.454 67 L N -1.701 119.295 121.223 -0.378 0.000 2.642 67 L HA 0.192 4.528 4.340 -0.006 0.000 0.233 67 L C 0.284 176.694 176.870 -0.766 0.000 1.077 67 L CA -0.074 54.349 54.840 -0.695 0.000 0.879 67 L CB 0.323 41.685 42.059 -1.161 0.000 1.151 67 L HN -0.096 nan 8.230 nan 0.000 0.495 68 F N -1.157 118.729 119.950 -0.107 0.000 2.611 68 F HA 0.509 5.032 4.527 -0.007 0.000 0.324 68 F C -0.296 175.291 175.800 -0.354 0.000 1.061 68 F CA -1.271 56.579 58.000 -0.249 0.000 0.954 68 F CB 0.865 39.609 39.000 -0.426 0.000 1.301 68 F HN -0.280 nan 8.300 nan 0.000 0.482 69 D N -0.089 120.222 120.400 -0.148 0.000 2.198 69 D HA 0.338 4.974 4.640 -0.006 0.000 0.247 69 D C -1.392 174.601 176.300 -0.511 0.000 1.010 69 D CA -0.171 53.659 54.000 -0.283 0.000 0.880 69 D CB 1.638 42.316 40.800 -0.203 0.000 1.209 69 D HN 0.315 nan 8.370 nan 0.000 0.451 70 Y N 0.238 120.320 120.300 -0.364 0.000 2.341 70 Y HA 0.395 4.941 4.550 -0.007 0.000 0.338 70 Y C -0.443 175.267 175.900 -0.318 0.000 0.965 70 Y CA -0.884 57.063 58.100 -0.255 0.000 1.108 70 Y CB 1.219 39.378 38.460 -0.502 0.000 1.180 70 Y HN 0.241 nan 8.280 nan 0.000 0.458 71 W N 3.910 125.348 121.300 0.231 0.000 2.578 71 W HA 0.643 5.299 4.660 -0.007 0.000 0.346 71 W C -1.056 175.645 176.519 0.302 0.000 1.075 71 W CA -0.919 56.557 57.345 0.220 0.000 1.233 71 W CB 1.251 30.799 29.460 0.147 0.000 1.358 71 W HN 0.340 nan 8.180 nan 0.000 0.574 72 F N 1.282 121.408 119.950 0.294 0.000 2.601 72 F HA 0.823 5.346 4.527 -0.006 0.000 0.309 72 F C -1.004 174.832 175.800 0.059 0.000 1.089 72 F CA -1.227 56.851 58.000 0.131 0.000 0.940 72 F CB 1.408 40.427 39.000 0.032 0.000 1.273 72 F HN 0.474 nan 8.300 nan 0.000 0.450 73 A N 3.889 126.087 122.820 -1.035 0.000 2.566 73 A HA 0.594 4.911 4.320 -0.006 0.000 0.297 73 A C -1.711 175.177 177.584 -1.160 0.000 1.059 73 A CA -0.682 50.867 52.037 -0.813 0.000 0.691 73 A CB 1.437 20.209 19.000 -0.381 0.000 1.282 73 A HN 0.838 nan 8.150 nan 0.000 0.401 74 E N 1.089 120.822 120.200 -0.777 0.000 2.183 74 E HA 0.738 5.084 4.350 -0.006 0.000 0.271 74 E C -1.305 175.077 176.600 -0.363 0.000 0.919 74 E CA -0.814 55.272 56.400 -0.523 0.000 0.781 74 E CB 2.044 31.578 29.700 -0.277 0.000 1.140 74 E HN 0.364 nan 8.360 nan 0.000 0.402 75 V N 2.839 122.556 119.914 -0.329 0.000 2.841 75 V HA 0.342 4.458 4.120 -0.006 0.000 0.310 75 V C -0.668 175.293 176.094 -0.221 0.000 1.090 75 V CA -1.040 61.064 62.300 -0.327 0.000 0.930 75 V CB 2.068 33.608 31.823 -0.471 0.000 1.014 75 V HN 0.695 nan 8.190 nan 0.000 0.425 76 K N 3.888 124.190 120.400 -0.163 0.000 2.423 76 K HA 0.421 4.738 4.320 -0.006 0.000 0.234 76 K C -2.732 173.802 176.600 -0.110 0.000 1.051 76 K CA -1.584 54.630 56.287 -0.122 0.000 1.021 76 K CB 1.234 33.681 32.500 -0.088 0.000 1.474 76 K HN 0.411 nan 8.250 nan 0.000 0.474 77 P HA -0.045 nan 4.420 nan 0.000 0.261 77 P C -1.717 175.511 177.300 -0.120 0.000 1.183 77 P CA -0.912 62.151 63.100 -0.061 0.000 0.761 77 P CB 0.329 32.005 31.700 -0.040 0.000 0.785 78 P HA -0.173 nan 4.420 nan 0.000 0.218 78 P C 0.098 176.998 177.300 -0.668 0.000 1.148 78 P CA 1.822 64.653 63.100 -0.449 0.000 0.822 78 P CB -0.029 31.341 31.700 -0.549 0.000 0.784 79 Y N -1.441 118.854 120.300 -0.009 0.000 2.706 79 Y HA 0.420 4.967 4.550 -0.006 0.000 0.255 79 Y C 0.846 176.709 175.900 -0.061 0.000 1.163 79 Y CA -0.604 57.499 58.100 0.004 0.000 1.174 79 Y CB 0.100 38.590 38.460 0.050 0.000 1.200 79 Y HN -0.237 nan 8.280 nan 0.000 0.544 80 R N -0.017 120.424 120.500 -0.099 0.000 3.953 80 R HA -0.206 4.130 4.340 -0.006 0.000 0.340 80 R C -0.581 175.561 176.300 -0.263 0.000 1.195 80 R CA 0.856 56.749 56.100 -0.344 0.000 0.929 80 R CB -1.507 28.294 30.300 -0.831 0.000 1.402 80 R HN 0.359 nan 8.270 nan 0.000 0.540 81 R N 0.070 120.603 120.500 0.054 0.000 2.686 81 R HA 0.693 5.029 4.340 -0.006 0.000 0.286 81 R C -1.175 175.264 176.300 0.232 0.000 0.969 81 R CA -1.069 55.159 56.100 0.214 0.000 0.898 81 R CB 1.901 32.410 30.300 0.347 0.000 1.183 81 R HN -0.043 nan 8.270 nan 0.000 0.456 82 L N 1.232 122.630 121.223 0.292 0.000 2.482 82 L HA 0.494 4.831 4.340 -0.006 0.000 0.263 82 L C -1.333 175.768 176.870 0.385 0.000 0.957 82 L CA -0.410 54.615 54.840 0.309 0.000 0.836 82 L CB 2.075 44.288 42.059 0.256 0.000 1.324 82 L HN 0.584 nan 8.230 nan 0.000 0.406 83 R N 3.328 124.035 120.500 0.344 0.000 2.534 83 R HA 0.725 5.061 4.340 -0.006 0.000 0.301 83 R C -1.869 174.590 176.300 0.265 0.000 0.961 83 R CA -0.441 55.828 56.100 0.281 0.000 0.871 83 R CB 1.459 31.901 30.300 0.237 0.000 1.170 83 R HN 0.687 nan 8.270 nan 0.000 0.446 84 Y N -0.108 120.187 120.300 -0.008 0.000 2.670 84 Y HA 0.822 5.368 4.550 -0.006 0.000 0.334 84 Y C -0.813 174.933 175.900 -0.257 0.000 1.185 84 Y CA -0.943 56.969 58.100 -0.314 0.000 1.053 84 Y CB 1.140 39.416 38.460 -0.308 0.000 1.298 84 Y HN 0.687 nan 8.280 nan 0.000 0.459 85 G N 0.225 108.770 108.800 -0.426 0.000 2.687 85 G HA2 0.678 4.634 3.960 -0.006 0.000 0.291 85 G HA3 0.678 4.634 3.960 -0.006 0.000 0.291 85 G C -2.468 172.092 174.900 -0.567 0.000 1.420 85 G CA -1.120 43.811 45.100 -0.282 0.000 0.796 85 G HN 0.504 nan 8.290 nan 0.000 0.485 86 F N -0.631 119.369 119.950 0.085 0.000 2.551 86 F HA 0.612 5.136 4.527 -0.006 0.000 0.316 86 F C -0.040 175.787 175.800 0.045 0.000 1.089 86 F CA -0.971 57.073 58.000 0.074 0.000 0.915 86 F CB 2.816 41.907 39.000 0.151 0.000 1.186 86 F HN 0.222 nan 8.300 nan 0.000 0.456 87 V N 4.370 124.382 119.914 0.163 0.000 2.378 87 V HA 0.430 4.547 4.120 -0.006 0.000 0.288 87 V C -0.634 175.421 176.094 -0.066 0.000 1.016 87 V CA -0.586 61.717 62.300 0.005 0.000 0.840 87 V CB 1.253 33.066 31.823 -0.017 0.000 0.994 87 V HN 0.464 nan 8.190 nan 0.000 0.431 88 L N 5.816 126.949 121.223 -0.151 0.000 2.307 88 L HA 0.558 4.894 4.340 -0.006 0.000 0.284 88 L C -0.801 175.901 176.870 -0.280 0.000 1.023 88 L CA -0.209 54.538 54.840 -0.154 0.000 0.810 88 L CB 1.064 43.068 42.059 -0.093 0.000 1.231 88 L HN 0.463 nan 8.230 nan 0.000 0.423 89 Y N 1.379 121.639 120.300 -0.067 0.000 2.331 89 Y HA 0.677 5.223 4.550 -0.006 0.000 0.338 89 Y C 0.395 176.287 175.900 -0.014 0.000 0.992 89 Y CA -0.331 57.754 58.100 -0.025 0.000 1.121 89 Y CB 2.134 40.586 38.460 -0.014 0.000 1.184 89 Y HN 0.572 nan 8.280 nan 0.000 0.469 90 S N 0.835 116.602 115.700 0.111 0.000 2.564 90 S HA 0.508 4.975 4.470 -0.006 0.000 0.274 90 S C 1.065 175.710 174.600 0.075 0.000 1.124 90 S CA -0.130 58.117 58.200 0.078 0.000 0.869 90 S CB 1.219 64.436 63.200 0.027 0.000 1.105 90 S HN 0.932 nan 8.310 nan 0.000 0.472 91 G N 1.738 110.578 108.800 0.067 0.000 2.507 91 G HA2 -0.237 3.720 3.960 -0.006 0.000 0.221 91 G HA3 -0.237 3.720 3.960 -0.006 0.000 0.221 91 G C 1.046 175.975 174.900 0.049 0.000 1.119 91 G CA 1.411 46.546 45.100 0.058 0.000 0.751 91 G HN 0.834 nan 8.290 nan 0.000 0.574 92 E N -1.019 119.202 120.200 0.035 0.000 2.015 92 E HA -0.013 4.333 4.350 -0.006 0.000 0.191 92 E C 0.713 177.338 176.600 0.041 0.000 0.991 92 E CA 0.843 57.260 56.400 0.028 0.000 0.802 92 E CB 0.134 29.838 29.700 0.006 0.000 0.759 92 E HN 0.248 nan 8.360 nan 0.000 0.447 93 E N -0.726 119.491 120.200 0.028 0.000 2.427 93 E HA 0.167 4.514 4.350 -0.006 0.000 0.279 93 E C -1.785 174.801 176.600 -0.023 0.000 1.120 93 E CA -0.552 55.870 56.400 0.037 0.000 0.869 93 E CB 1.313 31.058 29.700 0.076 0.000 1.393 93 E HN 0.023 nan 8.360 nan 0.000 0.443 94 K N 1.634 122.010 120.400 -0.041 0.000 2.159 94 K HA 0.620 4.936 4.320 -0.006 0.000 0.266 94 K C -0.847 175.647 176.600 -0.176 0.000 0.975 94 K CA -0.365 55.812 56.287 -0.183 0.000 0.865 94 K CB 0.611 32.972 32.500 -0.232 0.000 1.087 94 K HN 0.359 nan 8.250 nan 0.000 0.446 95 L N 3.668 124.773 121.223 -0.197 0.000 2.401 95 L HA 0.431 4.767 4.340 -0.006 0.000 0.266 95 L C -0.952 175.922 176.870 0.007 0.000 0.991 95 L CA -1.338 53.436 54.840 -0.109 0.000 0.818 95 L CB 2.317 44.330 42.059 -0.077 0.000 1.321 95 L HN 0.347 nan 8.230 nan 0.000 0.413 96 V N 2.275 122.238 119.914 0.081 0.000 2.383 96 V HA 0.229 4.345 4.120 -0.006 0.000 0.275 96 V C -0.882 175.326 176.094 0.190 0.000 1.036 96 V CA -0.504 61.871 62.300 0.125 0.000 0.889 96 V CB 1.199 33.084 31.823 0.103 0.000 0.985 96 V HN 0.441 nan 8.190 nan 0.000 0.459 97 Y N 5.505 125.817 120.300 0.021 0.000 2.335 97 Y HA 0.656 5.202 4.550 -0.006 0.000 0.339 97 Y C 0.399 176.280 175.900 -0.032 0.000 0.987 97 Y CA -0.634 57.349 58.100 -0.195 0.000 1.140 97 Y CB 1.314 39.723 38.460 -0.084 0.000 1.173 97 Y HN 0.824 nan 8.280 nan 0.000 0.486 98 T N 0.609 114.843 114.554 -0.533 0.000 2.831 98 T HA 0.285 4.631 4.350 -0.006 0.000 0.287 98 T C 0.654 174.616 174.700 -1.230 0.000 1.070 98 T CA -0.572 61.044 62.100 -0.805 0.000 1.010 98 T CB 1.503 70.006 68.868 -0.609 0.000 1.264 98 T HN 0.658 nan 8.240 nan 0.000 0.532 99 E N -0.115 119.161 120.200 -1.540 0.000 2.204 99 E HA -0.052 4.294 4.350 -0.006 0.000 0.194 99 E C 1.084 177.392 176.600 -0.488 0.000 0.989 99 E CA 0.802 56.508 56.400 -1.157 0.000 0.824 99 E CB 0.030 29.193 29.700 -0.896 0.000 0.756 99 E HN 0.409 nan 8.360 nan 0.000 0.477 100 K N -0.250 119.943 120.400 -0.344 0.000 2.417 100 K HA 0.225 4.541 4.320 -0.006 0.000 0.196 100 K C 0.028 176.619 176.600 -0.016 0.000 1.023 100 K CA 0.521 56.754 56.287 -0.090 0.000 1.122 100 K CB 1.083 33.609 32.500 0.045 0.000 0.850 100 K HN 0.293 nan 8.250 nan 0.000 0.521 101 G N -0.563 108.150 108.800 -0.145 0.000 2.342 101 G HA2 -0.124 3.833 3.960 -0.006 0.000 0.220 101 G HA3 -0.124 3.833 3.960 -0.006 0.000 0.220 101 G C -1.299 173.413 174.900 -0.314 0.000 1.243 101 G CA -1.097 43.900 45.100 -0.171 0.000 1.083 101 G HN -0.007 nan 8.290 nan 0.000 0.500 102 F N 0.254 120.079 119.950 -0.208 0.000 2.422 102 F HA 0.819 5.342 4.527 -0.006 0.000 0.333 102 F C 0.057 175.519 175.800 -0.563 0.000 1.095 102 F CA -0.349 57.530 58.000 -0.201 0.000 1.038 102 F CB 1.784 40.678 39.000 -0.178 0.000 1.156 102 F HN 0.459 nan 8.300 nan 0.000 0.483 103 Y N 0.829 121.154 120.300 0.043 0.000 2.524 103 Y HA 0.340 4.887 4.550 -0.006 0.000 0.347 103 Y C 0.116 175.994 175.900 -0.037 0.000 1.005 103 Y CA -1.262 56.847 58.100 0.015 0.000 1.025 103 Y CB 1.097 39.522 38.460 -0.058 0.000 1.275 103 Y HN 0.438 nan 8.280 nan 0.000 0.460 104 F N 0.431 120.467 119.950 0.144 0.000 2.365 104 F HA -0.033 4.490 4.527 -0.006 0.000 0.300 104 F C 0.775 176.612 175.800 0.061 0.000 1.090 104 F CA 0.907 58.953 58.000 0.076 0.000 1.408 104 F CB 0.219 39.247 39.000 0.046 0.000 1.060 104 F HN 0.535 nan 8.300 nan 0.000 0.534 105 E N -1.927 118.413 120.200 0.233 0.000 2.433 105 E HA 0.438 4.784 4.350 -0.006 0.000 0.278 105 E C -1.241 175.399 176.600 0.067 0.000 0.976 105 E CA -1.079 55.397 56.400 0.126 0.000 0.793 105 E CB 1.828 31.595 29.700 0.112 0.000 1.311 105 E HN -0.275 nan 8.360 nan 0.000 0.460 106 V N 2.347 122.288 119.914 0.045 0.000 2.493 106 V HA 0.120 4.236 4.120 -0.006 0.000 0.292 106 V C -1.980 174.075 176.094 -0.065 0.000 1.016 106 V CA -0.860 61.453 62.300 0.021 0.000 1.097 106 V CB -0.140 31.752 31.823 0.113 0.000 0.947 106 V HN 0.642 nan 8.190 nan 0.000 0.479 107 P HA 0.009 nan 4.420 nan 0.000 0.260 107 P C 1.030 178.267 177.300 -0.106 0.000 1.172 107 P CA 0.387 63.284 63.100 -0.339 0.000 0.760 107 P CB 0.393 31.515 31.700 -0.963 0.000 0.773 108 T N -1.468 113.054 114.554 -0.054 0.000 3.113 108 T HA -0.023 4.323 4.350 -0.006 0.000 0.256 108 T C 0.612 175.293 174.700 -0.032 0.000 1.131 108 T CA 0.001 62.083 62.100 -0.029 0.000 1.074 108 T CB -0.455 68.397 68.868 -0.027 0.000 0.944 108 T HN 0.417 nan 8.240 nan 0.000 0.516 109 D N 1.028 121.429 120.400 0.002 0.000 2.511 109 D HA 0.163 4.799 4.640 -0.006 0.000 0.276 109 D C -0.237 176.083 176.300 0.033 0.000 1.220 109 D CA -0.655 53.346 54.000 0.003 0.000 1.077 109 D CB 0.584 41.403 40.800 0.031 0.000 1.126 109 D HN 0.040 nan 8.370 nan 0.000 0.583 110 D N -1.558 118.834 120.400 -0.013 0.000 2.463 110 D HA 0.139 4.776 4.640 -0.006 0.000 0.224 110 D C -0.502 175.771 176.300 -0.046 0.000 1.174 110 D CA -0.207 53.778 54.000 -0.025 0.000 0.829 110 D CB 0.072 40.804 40.800 -0.113 0.000 0.993 110 D HN 0.196 nan 8.370 nan 0.000 0.497 111 T N 0.338 114.872 114.554 -0.032 0.000 2.899 111 T HA 0.443 4.790 4.350 -0.006 0.000 0.295 111 T C 0.283 174.775 174.700 -0.347 0.000 1.033 111 T CA -0.461 61.458 62.100 -0.301 0.000 1.084 111 T CB 1.412 69.903 68.868 -0.628 0.000 0.979 111 T HN 0.158 nan 8.240 nan 0.000 0.532 112 A N 2.451 125.042 122.820 -0.381 0.000 2.437 112 A HA 0.438 4.754 4.320 -0.006 0.000 0.303 112 A C -0.207 177.119 177.584 -0.431 0.000 1.324 112 A CA -0.302 51.594 52.037 -0.235 0.000 0.983 112 A CB -0.412 18.490 19.000 -0.165 0.000 1.142 112 A HN 0.974 nan 8.150 nan 0.000 0.541 113 Y N 1.210 121.274 120.300 -0.395 0.000 2.483 113 Y HA 0.180 4.726 4.550 -0.006 0.000 0.258 113 Y C 0.034 175.423 175.900 -0.852 0.000 1.083 113 Y CA -0.253 57.438 58.100 -0.681 0.000 1.283 113 Y CB -0.166 37.687 38.460 -1.011 0.000 1.178 113 Y HN 0.642 nan 8.280 nan 0.000 0.515 114 Y N -0.353 119.872 120.300 -0.126 0.000 2.300 114 Y HA 0.308 4.854 4.550 -0.006 0.000 0.328 114 Y C 0.138 175.780 175.900 -0.430 0.000 1.270 114 Y CA -1.604 56.301 58.100 -0.325 0.000 1.352 114 Y CB 0.234 38.605 38.460 -0.148 0.000 1.286 114 Y HN -0.215 nan 8.280 nan 0.000 0.536 115 F N 0.411 120.160 119.950 -0.335 0.000 2.440 115 F HA 0.333 4.856 4.527 -0.007 0.000 0.323 115 F C 0.497 176.029 175.800 -0.446 0.000 1.192 115 F CA -0.503 57.200 58.000 -0.496 0.000 1.252 115 F CB 0.465 38.916 39.000 -0.915 0.000 1.214 115 F HN 0.423 nan 8.300 nan 0.000 0.578 116 C N 2.991 122.331 119.300 0.067 0.000 2.782 116 C HA 0.601 5.057 4.460 -0.006 0.000 0.328 116 C C -1.299 173.935 174.990 0.407 0.000 1.145 116 C CA -1.070 58.081 59.018 0.221 0.000 1.358 116 C CB 0.122 27.947 27.740 0.141 0.000 1.841 116 C HN 0.665 nan 8.230 nan 0.000 0.477 117 F N 8.320 128.490 119.950 0.367 0.000 2.451 117 F HA 0.449 4.972 4.527 -0.006 0.000 0.367 117 F C -1.217 174.723 175.800 0.234 0.000 1.100 117 F CA -2.099 56.079 58.000 0.297 0.000 1.171 117 F CB 1.354 40.505 39.000 0.251 0.000 1.405 117 F HN 0.558 nan 8.300 nan 0.000 0.482 118 P HA -0.239 nan 4.420 nan 0.000 0.218 118 P C -0.044 177.448 177.300 0.321 0.000 1.165 118 P CA 1.739 64.951 63.100 0.186 0.000 0.922 118 P CB 0.444 32.217 31.700 0.121 0.000 0.794 119 F N -2.201 117.779 119.950 0.051 0.000 2.672 119 F HA 0.428 4.951 4.527 -0.006 0.000 0.311 119 F C -1.252 174.551 175.800 0.006 0.000 1.113 119 F CA -1.045 56.956 58.000 0.001 0.000 0.996 119 F CB 1.347 40.233 39.000 -0.191 0.000 1.286 119 F HN -0.282 nan 8.300 nan 0.000 0.441 120 L N 6.825 127.786 121.223 -0.437 0.000 2.282 120 L HA 0.354 4.690 4.340 -0.006 0.000 0.287 120 L C -0.779 176.028 176.870 -0.106 0.000 1.075 120 L CA -0.252 54.541 54.840 -0.080 0.000 0.839 120 L CB -0.294 41.677 42.059 -0.147 0.000 1.219 120 L HN 0.520 nan 8.230 nan 0.000 0.434 121 H N 4.471 123.720 119.070 0.298 0.000 2.489 121 H HA 0.131 4.684 4.556 -0.006 0.000 0.322 121 H C 0.484 175.926 175.328 0.190 0.000 1.091 121 H CA -0.299 55.931 56.048 0.303 0.000 1.291 121 H CB 1.848 31.775 29.762 0.274 0.000 1.436 121 H HN 0.627 nan 8.280 nan 0.000 0.480 122 R N 2.493 123.154 120.500 0.269 0.000 2.092 122 R HA -0.098 4.238 4.340 -0.006 0.000 0.231 122 R C 1.740 178.133 176.300 0.155 0.000 1.119 122 R CA 0.983 57.184 56.100 0.168 0.000 0.970 122 R CB -0.098 30.278 30.300 0.127 0.000 0.864 122 R HN 0.403 nan 8.270 nan 0.000 0.440 123 V N 1.079 121.096 119.914 0.172 0.000 2.594 123 V HA -0.178 3.938 4.120 -0.006 0.000 0.253 123 V C 0.732 176.889 176.094 0.106 0.000 1.069 123 V CA 2.128 64.495 62.300 0.111 0.000 1.082 123 V CB -0.154 31.716 31.823 0.078 0.000 0.680 123 V HN 0.369 nan 8.190 nan 0.000 0.469 124 D N -0.318 120.178 120.400 0.160 0.000 2.350 124 D HA 0.107 4.743 4.640 -0.006 0.000 0.213 124 D C 0.727 177.134 176.300 0.179 0.000 1.031 124 D CA -0.065 54.029 54.000 0.156 0.000 0.861 124 D CB -0.014 40.900 40.800 0.190 0.000 0.926 124 D HN 0.409 nan 8.370 nan 0.000 0.520 125 L N 1.366 122.694 121.223 0.174 0.000 2.499 125 L HA 0.072 4.408 4.340 -0.006 0.000 0.273 125 L C -0.304 176.651 176.870 0.142 0.000 1.195 125 L CA -0.184 54.757 54.840 0.169 0.000 0.882 125 L CB 0.050 42.179 42.059 0.116 0.000 1.133 125 L HN -0.176 nan 8.230 nan 0.000 0.483 126 F N 5.520 125.496 119.950 0.044 0.000 2.504 126 F HA 0.328 4.852 4.527 -0.006 0.000 0.369 126 F C 0.148 175.931 175.800 -0.029 0.000 1.082 126 F CA 0.093 58.098 58.000 0.008 0.000 1.216 126 F CB 0.214 39.203 39.000 -0.019 0.000 1.108 126 F HN 0.684 nan 8.300 nan 0.000 0.554 127 E N 5.409 125.295 120.200 -0.522 0.000 2.317 127 E HA 0.566 4.912 4.350 -0.006 0.000 0.270 127 E C -1.651 174.705 176.600 -0.406 0.000 0.899 127 E CA -0.773 55.448 56.400 -0.299 0.000 0.814 127 E CB 1.216 30.835 29.700 -0.135 0.000 1.296 127 E HN 0.828 nan 8.360 nan 0.000 0.404 128 A N 4.513 127.172 122.820 -0.269 0.000 2.269 128 A HA 0.704 5.020 4.320 -0.006 0.000 0.319 128 A C -2.460 175.051 177.584 -0.121 0.000 1.110 128 A CA -1.521 50.420 52.037 -0.160 0.000 0.847 128 A CB 0.395 19.406 19.000 0.018 0.000 1.161 128 A HN 0.452 nan 8.150 nan 0.000 0.497 129 P HA 0.068 nan 4.420 nan 0.000 0.264 129 P C -0.043 177.066 177.300 -0.319 0.000 1.193 129 P CA 0.437 63.417 63.100 -0.200 0.000 0.763 129 P CB 0.565 32.086 31.700 -0.300 0.000 0.810 130 D N 3.607 123.937 120.400 -0.118 0.000 2.182 130 D HA -0.175 4.461 4.640 -0.006 0.000 0.201 130 D C 1.391 177.637 176.300 -0.091 0.000 0.986 130 D CA 1.005 54.957 54.000 -0.081 0.000 0.847 130 D CB -0.174 40.630 40.800 0.007 0.000 0.942 130 D HN 0.538 nan 8.370 nan 0.000 0.467 131 W N 0.980 122.249 121.300 -0.052 0.000 2.364 131 W HA -0.155 4.501 4.660 -0.006 0.000 0.281 131 W C 1.684 178.133 176.519 -0.117 0.000 1.219 131 W CA 1.245 58.540 57.345 -0.083 0.000 1.220 131 W CB -1.373 28.033 29.460 -0.090 0.000 1.127 131 W HN 0.019 nan 8.180 nan 0.000 0.556 132 V N 0.761 120.182 119.914 -0.821 0.000 2.594 132 V HA -0.206 3.910 4.120 -0.006 0.000 0.253 132 V C 2.305 178.228 176.094 -0.285 0.000 1.069 132 V CA 1.974 63.820 62.300 -0.756 0.000 1.082 132 V CB -0.956 30.154 31.823 -1.189 0.000 0.680 132 V HN 0.106 nan 8.190 nan 0.000 0.469 133 K N 0.519 120.797 120.400 -0.203 0.000 2.280 133 K HA -0.084 4.233 4.320 -0.006 0.000 0.202 133 K C 1.217 177.781 176.600 -0.059 0.000 1.047 133 K CA 1.533 57.762 56.287 -0.098 0.000 0.942 133 K CB -0.187 32.272 32.500 -0.068 0.000 0.739 133 K HN 0.561 nan 8.250 nan 0.000 0.457 134 D N 0.163 120.536 120.400 -0.045 0.000 2.395 134 D HA 0.031 4.668 4.640 -0.006 0.000 0.213 134 D C -0.126 176.143 176.300 -0.051 0.000 1.110 134 D CA 0.275 54.256 54.000 -0.031 0.000 0.835 134 D CB 0.702 41.496 40.800 -0.011 0.000 0.965 134 D HN -0.024 nan 8.370 nan 0.000 0.505 135 T N 0.602 115.107 114.554 -0.082 0.000 2.909 135 T HA 0.398 4.744 4.350 -0.006 0.000 0.286 135 T C 0.193 174.783 174.700 -0.183 0.000 1.002 135 T CA -0.354 61.632 62.100 -0.190 0.000 1.074 135 T CB 2.596 71.250 68.868 -0.357 0.000 0.984 135 T HN -0.287 nan 8.240 nan 0.000 0.495 136 V N 3.252 123.046 119.914 -0.201 0.000 2.376 136 V HA 0.343 4.459 4.120 -0.006 0.000 0.287 136 V C -0.840 175.222 176.094 -0.053 0.000 1.015 136 V CA -1.086 61.177 62.300 -0.063 0.000 0.834 136 V CB 0.783 32.596 31.823 -0.017 0.000 1.001 136 V HN 0.833 nan 8.190 nan 0.000 0.428 137 W N 3.504 124.841 121.300 0.063 0.000 2.283 137 W HA 0.556 5.213 4.660 -0.006 0.000 0.341 137 W C -0.426 176.232 176.519 0.230 0.000 1.206 137 W CA -0.286 57.159 57.345 0.166 0.000 1.294 137 W CB 0.664 30.244 29.460 0.200 0.000 1.154 137 W HN 0.539 nan 8.180 nan 0.000 0.613 138 Y N 1.869 122.419 120.300 0.417 0.000 2.331 138 Y HA 0.218 4.764 4.550 -0.006 0.000 0.326 138 Y C -0.330 175.745 175.900 0.293 0.000 1.020 138 Y CA -1.194 57.076 58.100 0.284 0.000 1.136 138 Y CB 1.134 39.702 38.460 0.180 0.000 1.157 138 Y HN 0.423 nan 8.280 nan 0.000 0.444 139 Q N 6.552 126.408 119.800 0.093 0.000 2.256 139 Q HA 0.570 4.906 4.340 -0.006 0.000 0.254 139 Q C -1.487 174.453 176.000 -0.100 0.000 0.916 139 Q CA -0.411 55.444 55.803 0.088 0.000 0.932 139 Q CB 0.868 29.784 28.738 0.296 0.000 1.207 139 Q HN 0.793 nan 8.270 nan 0.000 0.426 140 I N 3.895 124.328 120.570 -0.229 0.000 2.465 140 I HA 0.271 4.438 4.170 -0.006 0.000 0.291 140 I C -1.035 174.876 176.117 -0.344 0.000 1.014 140 I CA -0.866 60.208 61.300 -0.377 0.000 1.093 140 I CB 1.520 39.202 38.000 -0.530 0.000 1.267 140 I HN 0.638 nan 8.210 nan 0.000 0.431 141 F N 9.128 128.775 119.950 -0.505 0.000 2.309 141 F HA 0.439 4.963 4.527 -0.006 0.000 0.366 141 F C -1.797 173.812 175.800 -0.318 0.000 1.104 141 F CA -2.317 55.499 58.000 -0.307 0.000 1.179 141 F CB 0.798 39.749 39.000 -0.081 0.000 1.437 141 F HN 0.286 nan 8.300 nan 0.000 0.528 142 P HA -0.275 nan 4.420 nan 0.000 0.219 142 P C 1.437 178.531 177.300 -0.343 0.000 1.153 142 P CA 1.395 64.111 63.100 -0.640 0.000 0.865 142 P CB 0.225 31.126 31.700 -1.331 0.000 0.788 143 E N -1.026 119.078 120.200 -0.162 0.000 2.409 143 E HA -0.136 4.210 4.350 -0.006 0.000 0.198 143 E C 1.079 177.906 176.600 0.379 0.000 1.024 143 E CA 0.808 57.398 56.400 0.317 0.000 0.861 143 E CB 0.042 29.950 29.700 0.346 0.000 0.788 143 E HN 0.172 nan 8.360 nan 0.000 0.521 144 R N -1.462 119.217 120.500 0.299 0.000 2.549 144 R HA 0.099 4.435 4.340 -0.006 0.000 0.344 144 R C 1.299 177.815 176.300 0.360 0.000 0.979 144 R CA -0.248 55.991 56.100 0.232 0.000 1.140 144 R CB -0.469 29.928 30.300 0.162 0.000 1.377 144 R HN 0.067 nan 8.270 nan 0.000 0.541 145 F N 1.350 121.414 119.950 0.189 0.000 2.147 145 F HA 0.397 4.920 4.527 -0.006 0.000 0.291 145 F C 0.355 176.453 175.800 0.496 0.000 1.093 145 F CA 0.410 58.529 58.000 0.198 0.000 1.263 145 F CB 0.397 39.419 39.000 0.036 0.000 1.036 145 F HN -0.037 nan 8.300 nan 0.000 0.481 146 A N 0.112 123.128 122.820 0.325 0.000 2.565 146 A HA 0.394 4.710 4.320 -0.006 0.000 0.298 146 A C -1.485 175.945 177.584 -0.256 0.000 1.062 146 A CA -0.646 51.261 52.037 -0.217 0.000 0.723 146 A CB 0.192 19.090 19.000 -0.169 0.000 1.282 146 A HN 0.128 nan 8.150 nan 0.000 0.400 147 N N 1.665 119.985 118.700 -0.635 0.000 2.719 147 N HA 0.357 5.094 4.740 -0.006 0.000 0.243 147 N C 1.063 176.470 175.510 -0.171 0.000 1.104 147 N CA 0.495 53.406 53.050 -0.232 0.000 0.981 147 N CB 0.695 39.081 38.487 -0.170 0.000 1.290 147 N HN 0.758 nan 8.380 nan 0.000 0.513 148 G N 1.777 110.526 108.800 -0.085 0.000 2.777 148 G HA2 -0.101 3.855 3.960 -0.006 0.000 0.211 148 G HA3 -0.101 3.855 3.960 -0.006 0.000 0.211 148 G C 0.371 175.246 174.900 -0.042 0.000 1.149 148 G CA -0.128 44.922 45.100 -0.084 0.000 0.785 148 G HN 0.545 nan 8.290 nan 0.000 0.536 149 N N -0.141 118.560 118.700 0.001 0.000 2.648 149 N HA 0.286 5.022 4.740 -0.006 0.000 0.261 149 N C -2.317 173.220 175.510 0.044 0.000 1.138 149 N CA -1.516 51.546 53.050 0.020 0.000 0.804 149 N CB 2.158 40.666 38.487 0.036 0.000 1.237 149 N HN -0.209 nan 8.380 nan 0.000 0.532 150 P HA -0.111 nan 4.420 nan 0.000 0.219 150 P C 1.338 178.671 177.300 0.054 0.000 1.146 150 P CA 1.147 64.279 63.100 0.053 0.000 0.808 150 P CB 0.309 32.030 31.700 0.035 0.000 0.779 151 S N -0.246 115.476 115.700 0.037 0.000 2.447 151 S HA -0.114 4.353 4.470 -0.006 0.000 0.233 151 S C 1.656 176.273 174.600 0.028 0.000 1.006 151 S CA 1.007 59.224 58.200 0.028 0.000 0.957 151 S CB -1.359 61.850 63.200 0.016 0.000 0.773 151 S HN 0.343 nan 8.310 nan 0.000 0.507 152 I N -1.404 119.191 120.570 0.042 0.000 4.018 152 I HA 0.362 4.528 4.170 -0.006 0.000 0.337 152 I C -0.052 176.127 176.117 0.102 0.000 1.327 152 I CA -0.645 60.672 61.300 0.028 0.000 1.100 152 I CB 0.072 38.081 38.000 0.015 0.000 1.025 152 I HN -0.035 nan 8.210 nan 0.000 0.396 153 S N 3.239 119.017 115.700 0.130 0.000 2.568 153 S HA 0.227 4.693 4.470 -0.006 0.000 0.282 153 S C -2.097 172.593 174.600 0.149 0.000 1.338 153 S CA -0.481 57.822 58.200 0.170 0.000 1.045 153 S CB 0.007 63.306 63.200 0.165 0.000 0.873 153 S HN 0.159 nan 8.310 nan 0.000 0.516 154 P HA 0.043 nan 4.420 nan 0.000 0.267 154 P C -0.289 176.963 177.300 -0.080 0.000 1.200 154 P CA -0.077 62.909 63.100 -0.190 0.000 0.772 154 P CB 0.372 31.599 31.700 -0.788 0.000 0.855 155 E N 1.552 121.710 120.200 -0.070 0.000 2.366 155 E HA 0.243 4.589 4.350 -0.006 0.000 0.266 155 E C 1.339 177.921 176.600 -0.031 0.000 1.015 155 E CA 0.845 57.230 56.400 -0.025 0.000 0.906 155 E CB 0.011 29.703 29.700 -0.013 0.000 0.979 155 E HN 0.793 nan 8.360 nan 0.000 0.443 156 G N 2.888 111.687 108.800 -0.002 0.000 2.141 156 G HA2 -0.255 3.701 3.960 -0.006 0.000 0.231 156 G HA3 -0.255 3.701 3.960 -0.006 0.000 0.231 156 G C 0.339 175.243 174.900 0.006 0.000 0.984 156 G CA 0.129 45.233 45.100 0.006 0.000 0.660 156 G HN 0.420 nan 8.290 nan 0.000 0.525 157 S N 1.328 117.039 115.700 0.018 0.000 2.549 157 S HA 0.457 4.924 4.470 -0.006 0.000 0.286 157 S C 0.949 175.519 174.600 -0.050 0.000 1.314 157 S CA -0.312 57.901 58.200 0.021 0.000 1.062 157 S CB 0.728 63.995 63.200 0.111 0.000 0.865 157 S HN 0.438 nan 8.310 nan 0.000 0.498 158 R N 2.373 122.721 120.500 -0.254 0.000 2.531 158 R HA 0.334 4.670 4.340 -0.006 0.000 0.273 158 R C -2.642 173.658 176.300 0.001 0.000 1.070 158 R CA -2.547 53.405 56.100 -0.246 0.000 1.112 158 R CB -0.846 29.109 30.300 -0.575 0.000 1.049 158 R HN 0.345 nan 8.270 nan 0.000 0.508 159 P HA -0.108 nan 4.420 nan 0.000 0.262 159 P C -0.068 177.474 177.300 0.403 0.000 1.182 159 P CA 0.093 63.334 63.100 0.236 0.000 0.761 159 P CB 0.342 32.144 31.700 0.170 0.000 0.795 160 W N 4.162 125.632 121.300 0.284 0.000 2.513 160 W HA -0.031 4.625 4.660 -0.006 0.000 0.339 160 W C 1.028 177.669 176.519 0.205 0.000 1.257 160 W CA 1.751 59.280 57.345 0.306 0.000 1.280 160 W CB -0.258 29.318 29.460 0.193 0.000 1.214 160 W HN 0.838 nan 8.180 nan 0.000 0.567 161 G N 3.247 111.751 108.800 -0.494 0.000 2.244 161 G HA2 -0.413 3.543 3.960 -0.006 0.000 0.274 161 G HA3 -0.413 3.543 3.960 -0.006 0.000 0.274 161 G C 1.076 175.941 174.900 -0.058 0.000 1.002 161 G CA 0.926 45.780 45.100 -0.410 0.000 0.740 161 G HN 0.896 nan 8.290 nan 0.000 0.516 162 S N -0.882 114.897 115.700 0.133 0.000 2.461 162 S HA 0.283 4.749 4.470 -0.006 0.000 0.228 162 S C 0.763 175.434 174.600 0.119 0.000 1.005 162 S CA 1.060 59.341 58.200 0.135 0.000 0.942 162 S CB 0.081 63.377 63.200 0.160 0.000 0.776 162 S HN 1.094 nan 8.310 nan 0.000 0.514 163 E N -0.185 120.125 120.200 0.182 0.000 2.433 163 E HA 0.419 4.765 4.350 -0.006 0.000 0.278 163 E C -1.989 174.696 176.600 0.140 0.000 0.976 163 E CA -1.180 55.304 56.400 0.141 0.000 0.793 163 E CB 0.407 30.190 29.700 0.140 0.000 1.311 163 E HN -0.118 nan 8.360 nan 0.000 0.460 164 D N 2.594 123.041 120.400 0.078 0.000 2.443 164 D HA 0.137 4.773 4.640 -0.006 0.000 0.239 164 D C -1.824 174.552 176.300 0.126 0.000 1.136 164 D CA -0.702 53.324 54.000 0.044 0.000 0.879 164 D CB 0.475 41.287 40.800 0.020 0.000 1.195 164 D HN 0.256 nan 8.370 nan 0.000 0.443 165 P HA 0.112 nan 4.420 nan 0.000 0.274 165 P C -0.305 177.053 177.300 0.096 0.000 1.237 165 P CA -0.329 62.882 63.100 0.184 0.000 0.793 165 P CB 1.009 32.754 31.700 0.074 0.000 0.977 166 T N -2.828 111.777 114.554 0.086 0.000 2.864 166 T HA 0.470 4.817 4.350 -0.006 0.000 0.289 166 T C -2.268 172.446 174.700 0.023 0.000 1.082 166 T CA -2.010 60.110 62.100 0.034 0.000 1.009 166 T CB 0.941 69.818 68.868 0.015 0.000 1.234 166 T HN 0.022 nan 8.240 nan 0.000 0.526 167 P HA 0.047 nan 4.420 nan 0.000 0.225 167 P C 1.095 178.398 177.300 0.005 0.000 1.148 167 P CA 1.051 64.179 63.100 0.046 0.000 0.779 167 P CB -0.020 31.708 31.700 0.046 0.000 0.780 168 T N -6.545 107.972 114.554 -0.062 0.000 3.058 168 T HA 0.162 4.508 4.350 -0.006 0.000 0.278 168 T C 0.636 175.154 174.700 -0.303 0.000 0.974 168 T CA -0.288 61.720 62.100 -0.153 0.000 0.893 168 T CB -0.544 68.296 68.868 -0.047 0.000 1.138 168 T HN 0.046 nan 8.240 nan 0.000 0.529 169 S N 1.045 116.602 115.700 -0.237 0.000 2.592 169 S HA 0.661 5.127 4.470 -0.006 0.000 0.271 169 S C -0.804 173.534 174.600 -0.437 0.000 1.326 169 S CA -0.564 57.488 58.200 -0.248 0.000 1.024 169 S CB 0.085 63.216 63.200 -0.115 0.000 0.921 169 S HN 0.243 nan 8.310 nan 0.000 0.527 170 F N 0.760 120.614 119.950 -0.160 0.000 2.551 170 F HA 0.583 5.107 4.527 -0.006 0.000 0.316 170 F C -0.047 175.599 175.800 -0.257 0.000 1.089 170 F CA -1.208 56.755 58.000 -0.062 0.000 0.915 170 F CB 1.802 40.765 39.000 -0.061 0.000 1.186 170 F HN 0.604 nan 8.300 nan 0.000 0.456 171 F N 0.298 120.414 119.950 0.278 0.000 2.767 171 F HA 0.347 4.870 4.527 -0.006 0.000 0.323 171 F C 1.465 177.526 175.800 0.435 0.000 1.091 171 F CA 0.163 58.292 58.000 0.215 0.000 1.192 171 F CB 0.832 39.755 39.000 -0.129 0.000 1.056 171 F HN 0.673 nan 8.300 nan 0.000 0.571 172 G N 0.680 109.826 108.800 0.576 0.000 2.131 172 G HA2 -0.162 3.794 3.960 -0.006 0.000 0.223 172 G HA3 -0.162 3.794 3.960 -0.006 0.000 0.223 172 G C 0.676 175.907 174.900 0.552 0.000 0.990 172 G CA -0.306 45.093 45.100 0.498 0.000 0.671 172 G HN 0.689 nan 8.290 nan 0.000 0.521 173 G N 0.174 109.387 108.800 0.688 0.000 2.491 173 G HA2 0.556 4.512 3.960 -0.006 0.000 0.238 173 G HA3 0.556 4.512 3.960 -0.006 0.000 0.238 173 G C 0.030 175.145 174.900 0.358 0.000 1.277 173 G CA 0.914 46.341 45.100 0.546 0.000 0.851 173 G HN 1.109 nan 8.290 nan 0.000 0.573 174 D N -0.230 120.280 120.400 0.184 0.000 2.643 174 D HA 0.204 4.840 4.640 -0.006 0.000 0.283 174 D C 1.138 177.430 176.300 -0.014 0.000 1.242 174 D CA -0.933 53.140 54.000 0.121 0.000 0.863 174 D CB 0.519 41.437 40.800 0.196 0.000 1.382 174 D HN 0.179 nan 8.370 nan 0.000 0.444 175 L N -0.882 120.321 121.223 -0.033 0.000 2.131 175 L HA -0.134 4.202 4.340 -0.006 0.000 0.210 175 L C 2.294 179.164 176.870 0.000 0.000 1.092 175 L CA 1.300 56.108 54.840 -0.053 0.000 0.759 175 L CB -0.427 41.610 42.059 -0.036 0.000 0.903 175 L HN 0.501 nan 8.230 nan 0.000 0.435 176 Q N 0.724 120.535 119.800 0.019 0.000 2.124 176 Q HA -0.125 4.212 4.340 -0.006 0.000 0.202 176 Q C 2.120 178.120 176.000 -0.000 0.000 0.977 176 Q CA 1.855 57.660 55.803 0.004 0.000 0.850 176 Q CB -0.496 28.241 28.738 -0.001 0.000 0.901 176 Q HN 0.384 nan 8.270 nan 0.000 0.429 177 G N 0.498 109.314 108.800 0.027 0.000 2.422 177 G HA2 -0.211 3.746 3.960 -0.006 0.000 0.218 177 G HA3 -0.211 3.746 3.960 -0.006 0.000 0.218 177 G C 1.413 176.442 174.900 0.215 0.000 1.146 177 G CA 0.980 46.114 45.100 0.058 0.000 0.769 177 G HN 0.432 nan 8.290 nan 0.000 0.547 178 I N 0.447 121.163 120.570 0.244 0.000 2.202 178 I HA -0.117 4.049 4.170 -0.006 0.000 0.242 178 I C 2.655 178.884 176.117 0.187 0.000 1.091 178 I CA 0.755 62.254 61.300 0.331 0.000 1.368 178 I CB -0.253 37.802 38.000 0.091 0.000 1.058 178 I HN 0.139 nan 8.210 nan 0.000 0.410 179 I N 0.972 121.580 120.570 0.064 0.000 2.208 179 I HA -0.325 3.841 4.170 -0.006 0.000 0.245 179 I C 1.971 178.062 176.117 -0.042 0.000 1.097 179 I CA 1.453 62.757 61.300 0.007 0.000 1.363 179 I CB -0.562 37.427 38.000 -0.019 0.000 1.051 179 I HN 0.262 nan 8.210 nan 0.000 0.413 180 D N -0.320 120.012 120.400 -0.113 0.000 2.263 180 D HA -0.158 4.478 4.640 -0.006 0.000 0.208 180 D C 1.558 177.560 176.300 -0.496 0.000 0.971 180 D CA 1.283 55.094 54.000 -0.315 0.000 0.867 180 D CB -0.261 40.271 40.800 -0.447 0.000 0.929 180 D HN 0.503 nan 8.370 nan 0.000 0.492 181 H N -0.267 118.714 119.070 -0.149 0.000 2.528 181 H HA 0.230 4.783 4.556 -0.006 0.000 0.282 181 H C 1.944 177.336 175.328 0.106 0.000 1.097 181 H CA -0.159 55.797 56.048 -0.154 0.000 1.121 181 H CB 0.666 30.188 29.762 -0.401 0.000 1.590 181 H HN 0.114 nan 8.280 nan 0.000 0.553 182 L N 0.167 121.468 121.223 0.130 0.000 2.079 182 L HA -0.182 4.154 4.340 -0.006 0.000 0.210 182 L C 1.892 178.818 176.870 0.093 0.000 1.081 182 L CA 1.148 56.054 54.840 0.110 0.000 0.752 182 L CB -0.114 41.967 42.059 0.037 0.000 0.896 182 L HN 0.129 nan 8.230 nan 0.000 0.433 183 D N -0.783 119.656 120.400 0.064 0.000 2.182 183 D HA -0.246 4.391 4.640 -0.006 0.000 0.201 183 D C 1.863 178.232 176.300 0.115 0.000 0.986 183 D CA 1.238 55.271 54.000 0.055 0.000 0.847 183 D CB -0.166 40.646 40.800 0.021 0.000 0.942 183 D HN 0.357 nan 8.370 nan 0.000 0.467 184 Y N 1.489 121.838 120.300 0.082 0.000 2.145 184 Y HA -0.164 4.382 4.550 -0.006 0.000 0.286 184 Y C 2.167 178.139 175.900 0.121 0.000 1.145 184 Y CA 1.349 59.549 58.100 0.165 0.000 1.148 184 Y CB -0.420 38.238 38.460 0.330 0.000 0.981 184 Y HN -0.091 nan 8.280 nan 0.000 0.507 185 L N -1.159 120.110 121.223 0.075 0.000 2.093 185 L HA -0.188 4.148 4.340 -0.006 0.000 0.208 185 L C 2.352 179.135 176.870 -0.145 0.000 1.085 185 L CA 0.976 55.729 54.840 -0.145 0.000 0.755 185 L CB -0.749 41.257 42.059 -0.088 0.000 0.904 185 L HN 0.134 nan 8.230 nan 0.000 0.435 186 V N 0.248 120.122 119.914 -0.066 0.000 2.343 186 V HA -0.320 3.796 4.120 -0.006 0.000 0.247 186 V C 2.204 178.250 176.094 -0.080 0.000 1.051 186 V CA 2.212 64.474 62.300 -0.064 0.000 1.036 186 V CB -0.489 31.314 31.823 -0.033 0.000 0.654 186 V HN 0.507 nan 8.190 nan 0.000 0.451 187 D N -0.221 120.133 120.400 -0.077 0.000 2.117 187 D HA -0.204 4.432 4.640 -0.006 0.000 0.197 187 D C 1.959 178.185 176.300 -0.122 0.000 0.987 187 D CA 1.181 55.140 54.000 -0.068 0.000 0.829 187 D CB -0.136 40.651 40.800 -0.023 0.000 0.961 187 D HN 0.271 nan 8.370 nan 0.000 0.460 188 L N -0.409 120.673 121.223 -0.234 0.000 2.083 188 L HA 0.110 4.446 4.340 -0.006 0.000 0.209 188 L C 1.867 178.615 176.870 -0.203 0.000 1.083 188 L CA 2.232 56.889 54.840 -0.307 0.000 0.752 188 L CB -0.397 41.399 42.059 -0.437 0.000 0.899 188 L HN 0.393 nan 8.230 nan 0.000 0.433 189 G N -2.015 106.693 108.800 -0.153 0.000 2.192 189 G HA2 -0.167 3.790 3.960 -0.006 0.000 0.193 189 G HA3 -0.167 3.790 3.960 -0.006 0.000 0.193 189 G C 0.207 175.049 174.900 -0.097 0.000 0.999 189 G CA -0.046 44.988 45.100 -0.110 0.000 0.659 189 G HN 0.151 nan 8.290 nan 0.000 0.503 190 I N 2.514 123.021 120.570 -0.105 0.000 2.710 190 I HA 0.242 4.408 4.170 -0.006 0.000 0.286 190 I C 1.705 177.765 176.117 -0.094 0.000 1.181 190 I CA 1.668 62.924 61.300 -0.073 0.000 1.430 190 I CB 0.733 38.687 38.000 -0.075 0.000 1.367 190 I HN 0.371 nan 8.210 nan 0.000 0.577 191 T N 1.138 115.614 114.554 -0.130 0.000 3.170 191 T HA 0.485 4.831 4.350 -0.006 0.000 0.288 191 T C 0.376 174.905 174.700 -0.285 0.000 0.992 191 T CA -0.261 61.735 62.100 -0.174 0.000 0.909 191 T CB 0.198 68.967 68.868 -0.165 0.000 1.133 191 T HN 0.806 nan 8.240 nan 0.000 0.530 192 G N 0.799 109.427 108.800 -0.286 0.000 2.759 192 G HA2 0.636 4.593 3.960 -0.006 0.000 0.297 192 G HA3 0.636 4.593 3.960 -0.006 0.000 0.297 192 G C -1.694 173.299 174.900 0.156 0.000 1.434 192 G CA -0.801 44.043 45.100 -0.427 0.000 0.980 192 G HN 0.368 nan 8.290 nan 0.000 0.531 193 I N 1.832 122.629 120.570 0.378 0.000 2.447 193 I HA 0.283 4.449 4.170 -0.006 0.000 0.287 193 I C -1.306 175.170 176.117 0.598 0.000 1.023 193 I CA -1.021 60.552 61.300 0.455 0.000 1.083 193 I CB 2.280 40.393 38.000 0.188 0.000 1.245 193 I HN 0.557 nan 8.210 nan 0.000 0.434 194 Y N 7.978 128.527 120.300 0.415 0.000 2.342 194 Y HA 0.646 5.192 4.550 -0.006 0.000 0.338 194 Y C -1.488 174.443 175.900 0.052 0.000 0.965 194 Y CA -1.209 57.005 58.100 0.190 0.000 1.159 194 Y CB 0.857 39.394 38.460 0.128 0.000 1.157 194 Y HN 0.366 nan 8.280 nan 0.000 0.486 195 L N 6.509 127.604 121.223 -0.213 0.000 2.317 195 L HA 0.495 4.831 4.340 -0.006 0.000 0.281 195 L C 0.715 177.251 176.870 -0.556 0.000 1.024 195 L CA -0.994 53.576 54.840 -0.450 0.000 0.810 195 L CB 1.905 43.776 42.059 -0.312 0.000 1.240 195 L HN 0.766 nan 8.230 nan 0.000 0.427 196 T N -0.038 114.156 114.554 -0.600 0.000 2.732 196 T HA 0.281 4.628 4.350 -0.006 0.000 0.287 196 T C -2.488 171.970 174.700 -0.403 0.000 0.993 196 T CA -1.637 60.212 62.100 -0.418 0.000 0.966 196 T CB 0.118 68.790 68.868 -0.327 0.000 1.047 196 T HN 0.281 nan 8.240 nan 0.000 0.527 197 P HA 0.068 nan 4.420 nan 0.000 0.261 197 P C 0.376 177.448 177.300 -0.380 0.000 1.165 197 P CA 0.367 63.160 63.100 -0.511 0.000 0.759 197 P CB -0.062 31.272 31.700 -0.609 0.000 0.772 198 I N -1.636 118.607 120.570 -0.545 0.000 4.240 198 I HA 0.308 4.474 4.170 -0.006 0.000 0.331 198 I C -0.334 175.711 176.117 -0.119 0.000 1.381 198 I CA -0.284 60.910 61.300 -0.175 0.000 1.136 198 I CB 0.072 37.912 38.000 -0.267 0.000 1.137 198 I HN -0.092 nan 8.210 nan 0.000 0.411 199 F N 2.105 122.000 119.950 -0.093 0.000 2.380 199 F HA 0.465 4.989 4.527 -0.006 0.000 0.325 199 F C 1.215 176.970 175.800 -0.075 0.000 1.136 199 F CA -1.207 56.748 58.000 -0.075 0.000 1.171 199 F CB 0.250 39.196 39.000 -0.090 0.000 1.230 199 F HN -0.020 nan 8.300 nan 0.000 0.554 200 R N 1.223 121.838 120.500 0.192 0.000 2.504 200 R HA 0.270 4.606 4.340 -0.006 0.000 0.291 200 R C -0.463 175.852 176.300 0.026 0.000 0.974 200 R CA 0.558 56.706 56.100 0.078 0.000 1.077 200 R CB 0.018 30.387 30.300 0.115 0.000 0.926 200 R HN 0.748 nan 8.270 nan 0.000 0.407 201 S N 4.045 119.728 115.700 -0.029 0.000 2.543 201 S HA 0.341 4.807 4.470 -0.006 0.000 0.274 201 S C -2.298 172.271 174.600 -0.051 0.000 1.149 201 S CA -1.257 56.923 58.200 -0.034 0.000 0.866 201 S CB 1.983 65.138 63.200 -0.074 0.000 1.111 201 S HN 0.573 nan 8.310 nan 0.000 0.457 202 P HA 0.044 nan 4.420 nan 0.000 0.225 202 P C 0.698 178.022 177.300 0.041 0.000 1.156 202 P CA 0.505 63.602 63.100 -0.004 0.000 0.787 202 P CB -0.178 31.544 31.700 0.038 0.000 0.802 203 S N 0.911 116.588 115.700 -0.038 0.000 2.655 203 S HA 0.128 4.594 4.470 -0.006 0.000 0.265 203 S C 1.165 175.730 174.600 -0.058 0.000 1.240 203 S CA -0.282 57.848 58.200 -0.115 0.000 0.986 203 S CB 0.086 62.949 63.200 -0.561 0.000 0.985 203 S HN 0.039 nan 8.310 nan 0.000 0.562 204 N N -0.153 118.408 118.700 -0.230 0.000 2.422 204 N HA -0.034 4.702 4.740 -0.006 0.000 0.181 204 N C 0.929 176.465 175.510 0.043 0.000 1.080 204 N CA 1.179 54.166 53.050 -0.103 0.000 0.893 204 N CB -0.798 37.427 38.487 -0.436 0.000 0.973 204 N HN 0.938 nan 8.380 nan 0.000 0.456 205 H N -1.411 117.769 119.070 0.182 0.000 2.681 205 H HA 0.421 4.973 4.556 -0.006 0.000 0.268 205 H C -0.092 175.211 175.328 -0.043 0.000 0.967 205 H CA -0.250 55.943 56.048 0.242 0.000 1.233 205 H CB 0.133 30.243 29.762 0.580 0.000 1.445 205 H HN -0.038 nan 8.280 nan 0.000 0.494 206 K N -0.201 120.048 120.400 -0.251 0.000 3.117 206 K HA -0.250 4.067 4.320 -0.006 0.000 0.269 206 K C -0.787 175.767 176.600 -0.077 0.000 1.098 206 K CA 0.706 56.889 56.287 -0.172 0.000 0.785 206 K CB -2.174 30.201 32.500 -0.209 0.000 1.242 206 K HN 0.424 nan 8.250 nan 0.000 0.491 207 Y N 0.949 121.488 120.300 0.398 0.000 2.466 207 Y HA -0.001 4.545 4.550 -0.006 0.000 0.272 207 Y C 0.839 176.880 175.900 0.236 0.000 1.169 207 Y CA 0.190 58.453 58.100 0.271 0.000 1.285 207 Y CB 0.420 39.019 38.460 0.232 0.000 1.078 207 Y HN 0.202 nan 8.280 nan 0.000 0.523 208 D N -0.498 120.086 120.400 0.307 0.000 2.514 208 D HA 0.107 4.743 4.640 -0.006 0.000 0.267 208 D C -0.368 175.982 176.300 0.084 0.000 1.165 208 D CA -0.363 53.773 54.000 0.226 0.000 0.958 208 D CB 0.050 40.989 40.800 0.232 0.000 0.992 208 D HN -0.124 nan 8.370 nan 0.000 0.506 209 T N 0.631 115.174 114.554 -0.017 0.000 2.902 209 T HA 0.364 4.710 4.350 -0.006 0.000 0.301 209 T C 1.303 175.953 174.700 -0.083 0.000 1.012 209 T CA -0.057 61.923 62.100 -0.200 0.000 1.151 209 T CB 1.637 70.064 68.868 -0.736 0.000 0.946 209 T HN 0.490 nan 8.240 nan 0.000 0.542 210 A N 2.335 125.161 122.820 0.009 0.000 1.973 210 A HA 0.277 4.593 4.320 -0.006 0.000 0.210 210 A C 0.778 178.543 177.584 0.301 0.000 1.200 210 A CA 0.193 52.335 52.037 0.175 0.000 0.707 210 A CB 0.360 19.439 19.000 0.133 0.000 0.862 210 A HN 0.712 nan 8.150 nan 0.000 0.461 211 D N -2.076 118.440 120.400 0.194 0.000 2.613 211 D HA 0.318 4.954 4.640 -0.006 0.000 0.230 211 D C -0.700 175.748 176.300 0.247 0.000 1.365 211 D CA -0.512 53.698 54.000 0.350 0.000 0.976 211 D CB 0.383 41.374 40.800 0.319 0.000 1.415 211 D HN 0.116 nan 8.370 nan 0.000 0.589 212 Y N 1.823 122.314 120.300 0.318 0.000 2.571 212 Y HA 0.102 4.648 4.550 -0.006 0.000 0.294 212 Y C 1.414 177.137 175.900 -0.295 0.000 1.141 212 Y CA 0.555 58.631 58.100 -0.041 0.000 1.308 212 Y CB -0.034 38.394 38.460 -0.054 0.000 1.002 212 Y HN 0.356 nan 8.280 nan 0.000 0.551 213 F N 0.054 120.159 119.950 0.258 0.000 2.639 213 F HA 0.199 4.722 4.527 -0.006 0.000 0.300 213 F C 0.510 176.485 175.800 0.293 0.000 1.109 213 F CA -0.237 57.858 58.000 0.159 0.000 1.335 213 F CB 0.362 39.294 39.000 -0.115 0.000 1.014 213 F HN -0.093 nan 8.300 nan 0.000 0.537 214 E N 0.665 121.155 120.200 0.483 0.000 2.275 214 E HA 0.390 4.736 4.350 -0.006 0.000 0.270 214 E C -1.218 175.663 176.600 0.469 0.000 0.882 214 E CA -0.630 56.043 56.400 0.455 0.000 0.758 214 E CB 2.162 32.045 29.700 0.305 0.000 1.195 214 E HN -0.150 nan 8.360 nan 0.000 0.419 215 V N 4.103 124.305 119.914 0.481 0.000 2.572 215 V HA -0.023 4.094 4.120 -0.006 0.000 0.291 215 V C 0.647 176.883 176.094 0.235 0.000 1.039 215 V CA -0.016 62.504 62.300 0.365 0.000 1.055 215 V CB 1.097 33.093 31.823 0.288 0.000 0.969 215 V HN 0.782 nan 8.190 nan 0.000 0.482 216 D N 6.398 126.894 120.400 0.161 0.000 2.531 216 D HA -0.001 4.635 4.640 -0.006 0.000 0.239 216 D C -1.589 174.724 176.300 0.021 0.000 1.144 216 D CA -0.992 53.018 54.000 0.018 0.000 0.869 216 D CB 1.720 42.363 40.800 -0.262 0.000 1.160 216 D HN 0.283 nan 8.370 nan 0.000 0.484 217 P HA -0.139 nan 4.420 nan 0.000 0.218 217 P C 0.382 177.567 177.300 -0.191 0.000 1.146 217 P CA 1.313 64.338 63.100 -0.125 0.000 0.813 217 P CB 0.127 31.687 31.700 -0.234 0.000 0.778 218 H N -3.331 115.682 119.070 -0.094 0.000 2.529 218 H HA 0.049 4.601 4.556 -0.006 0.000 0.277 218 H C 1.243 176.649 175.328 0.129 0.000 0.999 218 H CA 0.773 56.779 56.048 -0.070 0.000 1.256 218 H CB -0.436 29.191 29.762 -0.225 0.000 1.402 218 H HN 0.118 nan 8.280 nan 0.000 0.566 219 F N -0.489 119.519 119.950 0.096 0.000 2.530 219 F HA 0.372 4.895 4.527 -0.006 0.000 0.292 219 F C 1.592 177.412 175.800 0.033 0.000 1.109 219 F CA 0.899 58.929 58.000 0.051 0.000 1.450 219 F CB 0.172 39.172 39.000 0.001 0.000 1.114 219 F HN 0.261 nan 8.300 nan 0.000 0.560 220 G N -0.276 108.656 108.800 0.219 0.000 2.332 220 G HA2 0.259 4.215 3.960 -0.006 0.000 0.265 220 G HA3 0.259 4.215 3.960 -0.006 0.000 0.265 220 G C -2.049 172.927 174.900 0.127 0.000 1.329 220 G CA -0.381 44.801 45.100 0.136 0.000 0.949 220 G HN 0.176 nan 8.290 nan 0.000 0.476 221 D N -1.053 119.422 120.400 0.125 0.000 2.533 221 D HA 0.577 5.213 4.640 -0.006 0.000 0.247 221 D C 0.891 177.306 176.300 0.190 0.000 1.056 221 D CA -0.795 53.297 54.000 0.153 0.000 1.054 221 D CB 1.403 42.280 40.800 0.128 0.000 1.400 221 D HN 0.476 nan 8.370 nan 0.000 0.533 222 K N -0.451 120.109 120.400 0.267 0.000 2.211 222 K HA -0.211 4.105 4.320 -0.006 0.000 0.204 222 K C 1.540 178.369 176.600 0.381 0.000 1.047 222 K CA 1.390 57.910 56.287 0.388 0.000 0.935 222 K CB 0.040 32.894 32.500 0.590 0.000 0.728 222 K HN 0.589 nan 8.250 nan 0.000 0.452 223 E N 0.451 120.799 120.200 0.246 0.000 2.072 223 E HA -0.136 4.210 4.350 -0.006 0.000 0.191 223 E C 1.467 178.156 176.600 0.148 0.000 0.985 223 E CA 1.396 57.906 56.400 0.184 0.000 0.801 223 E CB 0.175 29.948 29.700 0.122 0.000 0.750 223 E HN 0.191 nan 8.360 nan 0.000 0.452 224 T N 1.679 116.306 114.554 0.121 0.000 2.777 224 T HA -0.158 4.188 4.350 -0.006 0.000 0.266 224 T C 1.786 176.527 174.700 0.069 0.000 1.040 224 T CA 1.070 63.217 62.100 0.079 0.000 1.141 224 T CB -0.288 68.621 68.868 0.068 0.000 0.868 224 T HN 0.118 nan 8.240 nan 0.000 0.444 225 L N 1.684 122.952 121.223 0.076 0.000 2.012 225 L HA -0.024 4.312 4.340 -0.006 0.000 0.210 225 L C 2.365 179.289 176.870 0.090 0.000 1.073 225 L CA 1.891 56.738 54.840 0.011 0.000 0.748 225 L CB -0.620 41.358 42.059 -0.134 0.000 0.891 225 L HN 0.121 nan 8.230 nan 0.000 0.431 226 K N -1.488 119.061 120.400 0.249 0.000 2.063 226 K HA -0.180 4.137 4.320 -0.006 0.000 0.208 226 K C 1.863 178.524 176.600 0.101 0.000 1.048 226 K CA 1.974 58.421 56.287 0.267 0.000 0.928 226 K CB -0.247 32.417 32.500 0.273 0.000 0.713 226 K HN 0.414 nan 8.250 nan 0.000 0.442 227 T N 1.987 116.586 114.554 0.075 0.000 2.708 227 T HA -0.167 4.179 4.350 -0.006 0.000 0.266 227 T C 1.683 176.381 174.700 -0.004 0.000 1.037 227 T CA 1.363 63.481 62.100 0.029 0.000 1.146 227 T CB -0.252 68.632 68.868 0.027 0.000 0.865 227 T HN 0.200 nan 8.240 nan 0.000 0.435 228 L N 1.177 122.394 121.223 -0.009 0.000 1.989 228 L HA -0.005 4.331 4.340 -0.006 0.000 0.211 228 L C 2.177 178.995 176.870 -0.088 0.000 1.071 228 L CA 1.644 56.459 54.840 -0.041 0.000 0.749 228 L CB -0.729 41.302 42.059 -0.047 0.000 0.890 228 L HN 0.278 nan 8.230 nan 0.000 0.431 229 I N -0.307 120.196 120.570 -0.112 0.000 2.226 229 I HA -0.276 3.890 4.170 -0.006 0.000 0.245 229 I C 2.054 177.943 176.117 -0.380 0.000 1.100 229 I CA 1.367 62.502 61.300 -0.274 0.000 1.374 229 I CB -0.630 37.241 38.000 -0.215 0.000 1.057 229 I HN 0.309 nan 8.210 nan 0.000 0.413 230 D N 0.640 120.942 120.400 -0.164 0.000 2.117 230 D HA -0.126 4.510 4.640 -0.006 0.000 0.197 230 D C 2.354 178.628 176.300 -0.043 0.000 0.987 230 D CA 0.955 54.911 54.000 -0.074 0.000 0.829 230 D CB -0.251 40.546 40.800 -0.006 0.000 0.961 230 D HN 0.168 nan 8.370 nan 0.000 0.460 231 R N 0.367 120.838 120.500 -0.048 0.000 2.081 231 R HA -0.045 4.292 4.340 -0.006 0.000 0.235 231 R C 2.528 178.808 176.300 -0.032 0.000 1.131 231 R CA 0.399 56.481 56.100 -0.030 0.000 0.960 231 R CB -1.269 29.013 30.300 -0.029 0.000 0.856 231 R HN 0.280 nan 8.270 nan 0.000 0.436 232 C N -0.481 118.778 119.300 -0.068 0.000 2.436 232 C HA -0.102 4.354 4.460 -0.006 0.000 0.277 232 C C 2.459 177.457 174.990 0.014 0.000 1.241 232 C CA 0.671 59.657 59.018 -0.054 0.000 1.721 232 C CB -1.148 26.531 27.740 -0.102 0.000 2.043 232 C HN 0.570 nan 8.230 nan 0.000 0.472 233 H N 0.085 119.117 119.070 -0.063 0.000 2.387 233 H HA -0.149 4.403 4.556 -0.006 0.000 0.299 233 H C 2.135 177.417 175.328 -0.077 0.000 1.099 233 H CA 1.389 57.385 56.048 -0.086 0.000 1.315 233 H CB -0.081 29.636 29.762 -0.075 0.000 1.380 233 H HN 0.633 nan 8.280 nan 0.000 0.513 234 E N 0.671 120.913 120.200 0.071 0.000 2.268 234 E HA -0.105 4.242 4.350 -0.006 0.000 0.195 234 E C 1.254 177.850 176.600 -0.007 0.000 0.995 234 E CA 0.712 57.122 56.400 0.017 0.000 0.836 234 E CB 0.157 29.861 29.700 0.007 0.000 0.763 234 E HN 0.438 nan 8.360 nan 0.000 0.491 235 K N -0.480 119.915 120.400 -0.008 0.000 2.397 235 K HA 0.147 4.464 4.320 -0.006 0.000 0.202 235 K C 0.622 177.197 176.600 -0.040 0.000 1.022 235 K CA 0.362 56.634 56.287 -0.025 0.000 1.141 235 K CB 1.096 33.581 32.500 -0.025 0.000 0.857 235 K HN 0.161 nan 8.250 nan 0.000 0.514 236 G N 2.038 110.811 108.800 -0.044 0.000 2.176 236 G HA2 -0.262 3.694 3.960 -0.006 0.000 0.252 236 G HA3 -0.262 3.694 3.960 -0.006 0.000 0.252 236 G C -0.047 174.795 174.900 -0.097 0.000 1.024 236 G CA -0.096 44.956 45.100 -0.080 0.000 0.755 236 G HN 0.289 nan 8.290 nan 0.000 0.507 237 I N 0.990 121.524 120.570 -0.059 0.000 2.362 237 I HA 0.406 4.572 4.170 -0.006 0.000 0.289 237 I C 0.829 176.925 176.117 -0.035 0.000 0.994 237 I CA -0.963 60.292 61.300 -0.075 0.000 1.158 237 I CB 1.045 39.016 38.000 -0.049 0.000 1.315 237 I HN -0.007 nan 8.210 nan 0.000 0.451 238 R N 4.861 125.276 120.500 -0.142 0.000 2.528 238 R HA 0.637 4.973 4.340 -0.006 0.000 0.271 238 R C -0.901 175.440 176.300 0.067 0.000 1.056 238 R CA -0.744 55.293 56.100 -0.105 0.000 1.117 238 R CB 1.803 31.838 30.300 -0.443 0.000 1.085 238 R HN 0.300 nan 8.270 nan 0.000 0.530 239 V N 3.034 123.043 119.914 0.159 0.000 2.487 239 V HA 0.385 4.501 4.120 -0.006 0.000 0.298 239 V C -0.188 176.058 176.094 0.253 0.000 1.028 239 V CA -0.718 61.696 62.300 0.191 0.000 0.860 239 V CB 1.651 33.486 31.823 0.020 0.000 0.991 239 V HN 0.697 nan 8.190 nan 0.000 0.427 240 M N 6.011 125.819 119.600 0.347 0.000 2.311 240 M HA 0.657 5.133 4.480 -0.006 0.000 0.325 240 M C -1.657 174.693 176.300 0.083 0.000 1.061 240 M CA -0.341 55.081 55.300 0.203 0.000 0.957 240 M CB 1.410 34.123 32.600 0.188 0.000 1.646 240 M HN 0.533 nan 8.290 nan 0.000 0.434 241 L N 2.160 123.314 121.223 -0.115 0.000 2.358 241 L HA 0.526 4.863 4.340 -0.006 0.000 0.268 241 L C -0.347 176.606 176.870 0.139 0.000 1.032 241 L CA -0.960 53.803 54.840 -0.129 0.000 0.805 241 L CB 1.393 43.193 42.059 -0.433 0.000 1.253 241 L HN 0.643 nan 8.230 nan 0.000 0.452 242 D N 1.205 121.675 120.400 0.116 0.000 2.317 242 D HA 0.413 5.050 4.640 -0.006 0.000 0.234 242 D C -0.721 175.692 176.300 0.188 0.000 1.112 242 D CA -0.156 53.951 54.000 0.177 0.000 0.840 242 D CB 1.816 42.676 40.800 0.101 0.000 1.078 242 D HN 0.541 nan 8.370 nan 0.000 0.486 243 A N 3.863 126.740 122.820 0.095 0.000 2.260 243 A HA 0.409 4.725 4.320 -0.006 0.000 0.312 243 A C -0.123 177.353 177.584 -0.181 0.000 1.321 243 A CA -0.638 51.228 52.037 -0.285 0.000 0.928 243 A CB 0.655 18.936 19.000 -1.197 0.000 1.158 243 A HN 0.379 nan 8.150 nan 0.000 0.542 244 V N 4.490 124.511 119.914 0.178 0.000 2.154 244 V HA 0.137 4.253 4.120 -0.006 0.000 0.265 244 V C 0.116 176.449 176.094 0.397 0.000 1.293 244 V CA 0.015 62.441 62.300 0.210 0.000 1.205 244 V CB -1.030 30.912 31.823 0.200 0.000 1.306 244 V HN 0.848 nan 8.190 nan 0.000 0.479 245 F N 1.442 121.347 119.950 -0.075 0.000 2.698 245 F HA 0.107 4.630 4.527 -0.007 0.000 0.295 245 F C 2.054 177.711 175.800 -0.238 0.000 1.124 245 F CA 0.177 58.053 58.000 -0.206 0.000 1.426 245 F CB -0.749 38.089 39.000 -0.271 0.000 1.120 245 F HN 0.456 nan 8.300 nan 0.000 0.583 246 N N -0.255 118.452 118.700 0.011 0.000 2.188 246 N HA -0.138 4.599 4.740 -0.006 0.000 0.184 246 N C 0.251 175.844 175.510 0.139 0.000 1.018 246 N CA 1.086 54.171 53.050 0.058 0.000 0.858 246 N CB 0.035 38.647 38.487 0.209 0.000 0.989 246 N HN 0.320 nan 8.380 nan 0.000 0.426 247 H N -2.695 116.462 119.070 0.146 0.000 3.016 247 H HA 0.439 4.991 4.556 -0.006 0.000 0.362 247 H C -0.434 175.004 175.328 0.183 0.000 1.233 247 H CA -0.935 55.211 56.048 0.163 0.000 1.124 247 H CB 0.455 30.313 29.762 0.161 0.000 1.850 247 H HN 0.189 nan 8.280 nan 0.000 0.549 248 C N 0.333 119.775 119.300 0.237 0.000 2.604 248 C HA 0.977 5.433 4.460 -0.006 0.000 0.416 248 C C 0.973 176.042 174.990 0.131 0.000 1.566 248 C CA -0.050 59.036 59.018 0.112 0.000 1.812 248 C CB 0.913 28.612 27.740 -0.069 0.000 2.028 248 C HN 1.035 nan 8.230 nan 0.000 0.489 249 G N -1.803 107.051 108.800 0.090 0.000 2.521 249 G HA2 0.441 4.397 3.960 -0.006 0.000 0.323 249 G HA3 0.441 4.397 3.960 -0.006 0.000 0.323 249 G C -0.384 174.587 174.900 0.118 0.000 1.211 249 G CA -0.366 44.811 45.100 0.128 0.000 0.979 249 G HN 0.903 nan 8.290 nan 0.000 0.490 250 Y N -0.477 119.828 120.300 0.008 0.000 2.352 250 Y HA -0.035 4.511 4.550 -0.006 0.000 0.292 250 Y C 2.419 178.431 175.900 0.186 0.000 1.136 250 Y CA 1.897 60.027 58.100 0.050 0.000 1.227 250 Y CB 0.368 38.833 38.460 0.009 0.000 0.991 250 Y HN 0.596 nan 8.280 nan 0.000 0.545 251 E N -0.731 119.594 120.200 0.208 0.000 2.465 251 E HA -0.032 4.314 4.350 -0.006 0.000 0.191 251 E C -0.345 176.368 176.600 0.187 0.000 1.053 251 E CA -0.371 56.112 56.400 0.138 0.000 0.869 251 E CB -0.175 29.612 29.700 0.144 0.000 0.977 251 E HN 0.189 nan 8.360 nan 0.000 0.483 252 F N 1.998 121.996 119.950 0.079 0.000 2.541 252 F HA 0.122 4.645 4.527 -0.006 0.000 0.378 252 F C 1.385 177.208 175.800 0.040 0.000 1.068 252 F CA -0.577 57.484 58.000 0.102 0.000 1.199 252 F CB 0.543 39.657 39.000 0.190 0.000 1.091 252 F HN -0.048 nan 8.300 nan 0.000 0.555 253 A N 7.622 130.225 122.820 -0.361 0.000 1.881 253 A HA -0.213 4.103 4.320 -0.006 0.000 0.219 253 A C -0.477 176.713 177.584 -0.657 0.000 1.215 253 A CA 2.231 53.997 52.037 -0.451 0.000 0.648 253 A CB -2.140 16.607 19.000 -0.421 0.000 0.832 253 A HN 0.697 nan 8.150 nan 0.000 0.455 254 P HA -0.165 nan 4.420 nan 0.000 0.216 254 P C 1.447 178.543 177.300 -0.341 0.000 1.153 254 P CA 1.308 63.600 63.100 -1.347 0.000 0.858 254 P CB -0.145 30.505 31.700 -1.751 0.000 0.789 255 F N 0.464 120.325 119.950 -0.147 0.000 2.146 255 F HA -0.153 4.370 4.527 -0.007 0.000 0.298 255 F C 2.182 177.842 175.800 -0.233 0.000 1.096 255 F CA 1.526 59.387 58.000 -0.232 0.000 1.275 255 F CB -0.838 37.995 39.000 -0.279 0.000 1.008 255 F HN -0.116 nan 8.300 nan 0.000 0.480 256 Q N -0.368 119.288 119.800 -0.240 0.000 2.135 256 Q HA -0.273 4.063 4.340 -0.006 0.000 0.204 256 Q C 1.808 177.685 176.000 -0.206 0.000 0.981 256 Q CA 1.962 57.597 55.803 -0.279 0.000 0.856 256 Q CB -0.473 28.157 28.738 -0.179 0.000 0.902 256 Q HN 0.479 nan 8.270 nan 0.000 0.425 257 D N -0.193 120.098 120.400 -0.182 0.000 2.117 257 D HA -0.138 4.499 4.640 -0.006 0.000 0.197 257 D C 1.745 177.997 176.300 -0.080 0.000 0.987 257 D CA 0.979 54.929 54.000 -0.084 0.000 0.829 257 D CB 0.188 41.003 40.800 0.025 0.000 0.961 257 D HN 0.009 nan 8.370 nan 0.000 0.460 258 V N 0.339 120.184 119.914 -0.115 0.000 2.427 258 V HA -0.150 3.967 4.120 -0.006 0.000 0.248 258 V C 2.067 178.036 176.094 -0.208 0.000 1.051 258 V CA 1.327 63.568 62.300 -0.099 0.000 1.048 258 V CB -0.713 31.091 31.823 -0.032 0.000 0.666 258 V HN 0.494 nan 8.190 nan 0.000 0.456 259 W N 1.573 122.523 121.300 -0.583 0.000 2.425 259 W HA -0.140 4.516 4.660 -0.007 0.000 0.277 259 W C 2.260 178.630 176.519 -0.248 0.000 1.231 259 W CA 2.054 59.093 57.345 -0.511 0.000 1.248 259 W CB 0.094 29.117 29.460 -0.728 0.000 1.117 259 W HN 0.301 nan 8.180 nan 0.000 0.568 260 K N 0.173 120.512 120.400 -0.101 0.000 2.063 260 K HA -0.091 4.225 4.320 -0.006 0.000 0.204 260 K C 1.671 178.196 176.600 -0.126 0.000 1.039 260 K CA 1.206 57.442 56.287 -0.085 0.000 0.957 260 K CB -0.450 32.036 32.500 -0.023 0.000 0.764 260 K HN -0.101 nan 8.250 nan 0.000 0.447 261 N N 0.258 118.893 118.700 -0.108 0.000 2.376 261 N HA 0.010 4.746 4.740 -0.006 0.000 0.177 261 N C 1.065 176.491 175.510 -0.140 0.000 1.024 261 N CA 1.062 54.046 53.050 -0.111 0.000 0.893 261 N CB 0.390 38.822 38.487 -0.093 0.000 0.980 261 N HN 0.469 nan 8.380 nan 0.000 0.439 262 G N 1.746 110.468 108.800 -0.131 0.000 2.512 262 G HA2 -0.375 3.581 3.960 -0.006 0.000 0.254 262 G HA3 -0.375 3.581 3.960 -0.006 0.000 0.254 262 G C 0.547 175.230 174.900 -0.362 0.000 1.199 262 G CA 0.378 45.414 45.100 -0.106 0.000 0.941 262 G HN 0.293 nan 8.290 nan 0.000 0.569 263 E N 0.532 120.186 120.200 -0.911 0.000 2.331 263 E HA -0.099 4.248 4.350 -0.006 0.000 0.199 263 E C 2.563 178.851 176.600 -0.520 0.000 1.008 263 E CA 1.934 57.579 56.400 -1.258 0.000 0.843 263 E CB -0.247 28.693 29.700 -1.266 0.000 0.761 263 E HN 0.730 nan 8.360 nan 0.000 0.507 264 S N -0.510 114.991 115.700 -0.331 0.000 2.527 264 S HA 0.006 4.472 4.470 -0.006 0.000 0.222 264 S C 1.013 175.514 174.600 -0.165 0.000 0.985 264 S CA 0.065 58.142 58.200 -0.206 0.000 0.921 264 S CB 0.233 63.339 63.200 -0.156 0.000 0.772 264 S HN 0.105 nan 8.310 nan 0.000 0.529 265 S N 2.380 117.985 115.700 -0.157 0.000 2.549 265 S HA 0.113 4.579 4.470 -0.006 0.000 0.286 265 S C 1.154 175.684 174.600 -0.117 0.000 1.314 265 S CA -0.509 57.632 58.200 -0.099 0.000 1.062 265 S CB 0.510 63.699 63.200 -0.018 0.000 0.865 265 S HN 0.646 nan 8.310 nan 0.000 0.498 266 K N 3.358 123.627 120.400 -0.218 0.000 2.525 266 K HA -0.015 4.302 4.320 -0.006 0.000 0.192 266 K C 0.055 176.419 176.600 -0.393 0.000 1.029 266 K CA 1.004 57.101 56.287 -0.316 0.000 1.029 266 K CB -0.150 32.082 32.500 -0.446 0.000 0.814 266 K HN 0.688 nan 8.250 nan 0.000 0.503 267 Y N 2.158 122.371 120.300 -0.144 0.000 2.507 267 Y HA 0.169 4.715 4.550 -0.006 0.000 0.254 267 Y C 1.543 177.498 175.900 0.091 0.000 1.171 267 Y CA -0.717 57.224 58.100 -0.266 0.000 1.238 267 Y CB 0.502 38.679 38.460 -0.472 0.000 1.148 267 Y HN 0.093 nan 8.280 nan 0.000 0.525 268 K N -0.314 120.237 120.400 0.252 0.000 2.113 268 K HA -0.257 4.059 4.320 -0.006 0.000 0.208 268 K C 1.006 177.831 176.600 0.375 0.000 1.047 268 K CA 2.288 58.786 56.287 0.352 0.000 0.928 268 K CB -0.271 32.356 32.500 0.211 0.000 0.716 268 K HN 0.144 nan 8.250 nan 0.000 0.446 269 D N -0.632 119.938 120.400 0.283 0.000 2.328 269 D HA -0.024 4.612 4.640 -0.006 0.000 0.226 269 D C 0.493 176.876 176.300 0.138 0.000 1.066 269 D CA 0.070 54.185 54.000 0.191 0.000 0.861 269 D CB -0.003 40.873 40.800 0.126 0.000 0.912 269 D HN 0.321 nan 8.370 nan 0.000 0.521 270 W N -0.277 120.901 121.300 -0.203 0.000 3.047 270 W HA 0.213 4.869 4.660 -0.007 0.000 0.250 270 W C -0.090 175.935 176.519 -0.824 0.000 1.314 270 W CA -0.000 57.011 57.345 -0.556 0.000 1.540 270 W CB -0.125 28.856 29.460 -0.798 0.000 1.127 270 W HN -0.126 nan 8.180 nan 0.000 0.679 271 F N -2.202 117.927 119.950 0.299 0.000 2.814 271 F HA 0.356 4.880 4.527 -0.006 0.000 0.353 271 F C -0.378 175.451 175.800 0.048 0.000 1.177 271 F CA -1.568 56.585 58.000 0.256 0.000 1.036 271 F CB 0.363 39.573 39.000 0.349 0.000 1.455 271 F HN -0.446 nan 8.300 nan 0.000 0.520 272 H N 0.853 120.133 119.070 0.349 0.000 2.572 272 H HA 0.515 5.068 4.556 -0.006 0.000 0.248 272 H C -0.873 174.413 175.328 -0.069 0.000 1.397 272 H CA -0.138 55.984 56.048 0.124 0.000 1.319 272 H CB 0.075 29.904 29.762 0.112 0.000 1.452 272 H HN 0.229 nan 8.280 nan 0.000 0.535 273 I N 2.341 122.898 120.570 -0.021 0.000 2.359 273 I HA 0.128 4.294 4.170 -0.006 0.000 0.294 273 I C 0.680 176.595 176.117 -0.337 0.000 0.987 273 I CA -0.547 60.629 61.300 -0.207 0.000 1.225 273 I CB 1.440 39.297 38.000 -0.238 0.000 1.366 273 I HN 0.673 nan 8.210 nan 0.000 0.466 274 H N 4.405 123.471 119.070 -0.007 0.000 2.516 274 H HA 0.156 4.708 4.556 -0.005 0.000 0.284 274 H C 0.084 175.365 175.328 -0.079 0.000 0.999 274 H CA 0.399 56.446 56.048 -0.002 0.000 1.303 274 H CB 0.511 30.301 29.762 0.047 0.000 1.452 274 H HN 0.678 nan 8.280 nan 0.000 0.530 275 E N -0.339 119.786 120.200 -0.125 0.000 2.433 275 E HA 0.499 4.846 4.350 -0.006 0.000 0.278 275 E C -1.696 174.645 176.600 -0.432 0.000 0.976 275 E CA -0.856 55.459 56.400 -0.142 0.000 0.793 275 E CB 1.982 31.694 29.700 0.020 0.000 1.311 275 E HN -0.150 nan 8.360 nan 0.000 0.460 276 F N 0.783 120.759 119.950 0.043 0.000 2.551 276 F HA 0.499 5.022 4.527 -0.006 0.000 0.316 276 F C -1.963 173.818 175.800 -0.031 0.000 1.089 276 F CA -1.636 56.357 58.000 -0.011 0.000 0.915 276 F CB 1.593 40.579 39.000 -0.024 0.000 1.186 276 F HN 0.409 nan 8.300 nan 0.000 0.456 277 P HA 0.332 nan 4.420 nan 0.000 0.276 277 P C -1.037 176.209 177.300 -0.090 0.000 1.261 277 P CA -0.523 62.593 63.100 0.026 0.000 0.800 277 P CB 0.927 32.553 31.700 -0.123 0.000 1.066 278 L N 0.788 121.883 121.223 -0.214 0.000 2.453 278 L HA 0.144 4.481 4.340 -0.006 0.000 0.272 278 L C 1.087 177.918 176.870 -0.065 0.000 1.182 278 L CA 0.993 55.763 54.840 -0.115 0.000 0.858 278 L CB -0.525 41.450 42.059 -0.139 0.000 1.120 278 L HN 0.356 nan 8.230 nan 0.000 0.474 279 Q N 0.312 120.284 119.800 0.287 0.000 2.399 279 Q HA 0.504 4.840 4.340 -0.006 0.000 0.276 279 Q C 0.243 176.554 176.000 0.518 0.000 1.098 279 Q CA -0.280 55.722 55.803 0.332 0.000 0.827 279 Q CB 2.096 30.941 28.738 0.178 0.000 1.386 279 Q HN 0.730 nan 8.270 nan 0.000 0.443 280 T N -3.288 111.523 114.554 0.428 0.000 3.044 280 T HA 0.201 4.547 4.350 -0.006 0.000 0.260 280 T C -0.101 174.679 174.700 0.134 0.000 1.019 280 T CA -0.110 62.173 62.100 0.305 0.000 0.921 280 T CB 0.189 69.231 68.868 0.291 0.000 1.053 280 T HN 0.675 nan 8.240 nan 0.000 0.533 281 E N -0.154 120.115 120.200 0.115 0.000 2.416 281 E HA 0.376 4.722 4.350 -0.006 0.000 0.280 281 E C -2.548 174.074 176.600 0.036 0.000 1.055 281 E CA -1.918 54.511 56.400 0.048 0.000 0.825 281 E CB 0.170 29.893 29.700 0.038 0.000 1.312 281 E HN -0.209 nan 8.360 nan 0.000 0.452 282 P HA -0.136 nan 4.420 nan 0.000 0.218 282 P C -0.323 176.940 177.300 -0.062 0.000 1.154 282 P CA 1.370 64.448 63.100 -0.037 0.000 0.872 282 P CB 0.190 31.856 31.700 -0.058 0.000 0.790 283 R N -1.910 118.555 120.500 -0.058 0.000 2.744 283 R HA 0.415 4.752 4.340 -0.006 0.000 0.279 283 R C -2.683 173.609 176.300 -0.014 0.000 0.977 283 R CA -2.398 53.663 56.100 -0.065 0.000 0.906 283 R CB 1.509 31.721 30.300 -0.148 0.000 1.197 283 R HN -0.143 nan 8.270 nan 0.000 0.463 284 P HA -0.055 nan 4.420 nan 0.000 0.267 284 P C -0.300 176.950 177.300 -0.083 0.000 1.201 284 P CA 0.068 63.046 63.100 -0.203 0.000 0.775 284 P CB 0.511 31.793 31.700 -0.696 0.000 0.854 285 N N 1.378 120.118 118.700 0.066 0.000 2.295 285 N HA 0.007 4.743 4.740 -0.006 0.000 0.221 285 N C -0.691 175.008 175.510 0.314 0.000 1.129 285 N CA -0.155 53.021 53.050 0.209 0.000 0.836 285 N CB -0.510 38.089 38.487 0.187 0.000 1.040 285 N HN 0.448 nan 8.380 nan 0.000 0.494 286 Y N -2.587 117.823 120.300 0.183 0.000 2.534 286 Y HA 0.529 5.076 4.550 -0.005 0.000 0.345 286 Y C -0.776 175.216 175.900 0.153 0.000 1.031 286 Y CA -1.654 56.480 58.100 0.058 0.000 1.022 286 Y CB 0.554 39.078 38.460 0.108 0.000 1.292 286 Y HN -0.272 nan 8.280 nan 0.000 0.459 287 D N 2.282 122.815 120.400 0.222 0.000 2.414 287 D HA 0.333 4.969 4.640 -0.006 0.000 0.242 287 D C 0.159 176.533 176.300 0.125 0.000 1.129 287 D CA 0.909 54.994 54.000 0.143 0.000 0.885 287 D CB 1.546 42.403 40.800 0.094 0.000 1.198 287 D HN 0.841 nan 8.370 nan 0.000 0.437 288 T N -1.696 112.842 114.554 -0.026 0.000 2.778 288 T HA 0.414 4.760 4.350 -0.006 0.000 0.293 288 T C -0.432 174.192 174.700 -0.127 0.000 1.144 288 T CA -0.999 61.090 62.100 -0.019 0.000 1.010 288 T CB 0.810 69.635 68.868 -0.072 0.000 1.325 288 T HN 0.155 nan 8.240 nan 0.000 0.515 289 F N 2.384 122.161 119.950 -0.288 0.000 2.495 289 F HA 0.520 5.044 4.527 -0.005 0.000 0.365 289 F C 1.157 176.741 175.800 -0.361 0.000 1.090 289 F CA 0.567 58.325 58.000 -0.402 0.000 1.235 289 F CB -0.370 38.178 39.000 -0.754 0.000 1.119 289 F HN 1.320 nan 8.300 nan 0.000 0.562 290 A N 4.908 126.975 122.820 -1.255 0.000 5.318 290 A HA -0.350 3.966 4.320 -0.006 0.000 0.329 290 A C 0.491 177.492 177.584 -0.972 0.000 1.789 290 A CA 1.987 53.355 52.037 -1.114 0.000 0.711 290 A CB -1.737 16.663 19.000 -1.001 0.000 1.398 290 A HN 0.993 nan 8.150 nan 0.000 0.392 291 F N -1.038 118.741 119.950 -0.285 0.000 2.814 291 F HA 0.395 4.918 4.527 -0.006 0.000 0.326 291 F C 0.172 175.889 175.800 -0.138 0.000 1.159 291 F CA -0.153 57.733 58.000 -0.189 0.000 1.234 291 F CB 1.206 40.111 39.000 -0.158 0.000 1.016 291 F HN 0.262 nan 8.300 nan 0.000 0.510 292 V N 3.180 123.085 119.914 -0.015 0.000 2.415 292 V HA 0.040 4.157 4.120 -0.006 0.000 0.267 292 V C -1.412 174.703 176.094 0.035 0.000 1.042 292 V CA -0.974 61.346 62.300 0.033 0.000 1.000 292 V CB 0.848 32.720 31.823 0.081 0.000 1.015 292 V HN 0.061 nan 8.190 nan 0.000 0.478 293 P HA -0.156 nan 4.420 nan 0.000 0.217 293 P C 1.145 178.556 177.300 0.185 0.000 1.148 293 P CA 0.947 64.112 63.100 0.108 0.000 0.828 293 P CB 0.183 31.929 31.700 0.076 0.000 0.783 294 Q N -1.650 118.195 119.800 0.076 0.000 2.466 294 Q HA 0.139 4.476 4.340 -0.006 0.000 0.210 294 Q C 0.593 176.660 176.000 0.112 0.000 0.961 294 Q CA 0.709 56.570 55.803 0.097 0.000 0.953 294 Q CB -0.499 28.262 28.738 0.038 0.000 1.011 294 Q HN 0.331 nan 8.270 nan 0.000 0.516 295 M N 1.751 121.408 119.600 0.095 0.000 2.693 295 M HA 0.287 4.763 4.480 -0.006 0.000 0.224 295 M C -2.517 173.844 176.300 0.102 0.000 1.149 295 M CA -1.711 53.649 55.300 0.099 0.000 0.622 295 M CB 1.531 34.139 32.600 0.012 0.000 1.443 295 M HN -0.205 nan 8.290 nan 0.000 0.431 296 P HA 0.046 nan 4.420 nan 0.000 0.271 296 P C -0.790 176.681 177.300 0.286 0.000 1.216 296 P CA 0.051 63.220 63.100 0.115 0.000 0.771 296 P CB 0.829 32.214 31.700 -0.524 0.000 0.864 297 K N 3.859 124.470 120.400 0.351 0.000 2.350 297 K HA 0.186 4.502 4.320 -0.006 0.000 0.279 297 K C -0.203 176.701 176.600 0.508 0.000 1.027 297 K CA -0.385 56.109 56.287 0.346 0.000 0.969 297 K CB 0.072 32.661 32.500 0.149 0.000 0.954 297 K HN 0.456 nan 8.250 nan 0.000 0.474 298 L N 3.396 124.833 121.223 0.357 0.000 2.375 298 L HA 0.145 4.481 4.340 -0.006 0.000 0.271 298 L C 0.410 177.403 176.870 0.204 0.000 1.107 298 L CA -0.703 54.283 54.840 0.243 0.000 0.806 298 L CB 0.892 42.970 42.059 0.032 0.000 1.146 298 L HN 0.659 nan 8.230 nan 0.000 0.447 299 N N 0.772 119.494 118.700 0.037 0.000 2.719 299 N HA 0.022 4.758 4.740 -0.006 0.000 0.243 299 N C 0.832 176.245 175.510 -0.161 0.000 1.104 299 N CA -0.253 52.770 53.050 -0.045 0.000 0.981 299 N CB 0.630 38.958 38.487 -0.266 0.000 1.290 299 N HN 0.632 nan 8.380 nan 0.000 0.513 300 T N -0.623 113.837 114.554 -0.158 0.000 3.227 300 T HA 0.069 4.415 4.350 -0.006 0.000 0.257 300 T C 1.241 175.866 174.700 -0.125 0.000 1.162 300 T CA 0.524 62.441 62.100 -0.304 0.000 1.051 300 T CB 0.008 68.513 68.868 -0.606 0.000 0.953 300 T HN 0.332 nan 8.240 nan 0.000 0.535 301 A N 1.262 124.034 122.820 -0.080 0.000 2.252 301 A HA 0.248 4.565 4.320 -0.006 0.000 0.213 301 A C 1.131 178.676 177.584 -0.066 0.000 1.188 301 A CA -0.411 51.609 52.037 -0.029 0.000 0.863 301 A CB -0.147 18.854 19.000 0.002 0.000 0.893 301 A HN 0.523 nan 8.150 nan 0.000 0.495 302 N N 1.269 119.883 118.700 -0.142 0.000 2.470 302 N HA 0.083 4.819 4.740 -0.006 0.000 0.268 302 N C -1.651 173.740 175.510 -0.198 0.000 1.136 302 N CA -1.383 51.558 53.050 -0.183 0.000 0.961 302 N CB 1.509 39.821 38.487 -0.291 0.000 1.067 302 N HN 0.020 nan 8.380 nan 0.000 0.468 303 P HA -0.189 nan 4.420 nan 0.000 0.216 303 P C 0.580 177.797 177.300 -0.138 0.000 1.154 303 P CA 1.582 64.628 63.100 -0.090 0.000 0.865 303 P CB 0.411 32.086 31.700 -0.041 0.000 0.789 304 E N -0.374 119.695 120.200 -0.219 0.000 2.072 304 E HA -0.078 4.268 4.350 -0.006 0.000 0.191 304 E C 2.243 178.491 176.600 -0.588 0.000 0.985 304 E CA 0.852 57.097 56.400 -0.258 0.000 0.801 304 E CB -0.480 29.175 29.700 -0.076 0.000 0.750 304 E HN 0.073 nan 8.360 nan 0.000 0.452 305 V N 1.986 121.320 119.914 -0.965 0.000 2.295 305 V HA -0.276 3.840 4.120 -0.006 0.000 0.246 305 V C 2.194 178.070 176.094 -0.364 0.000 1.049 305 V CA 1.770 63.518 62.300 -0.920 0.000 1.024 305 V CB -0.422 30.921 31.823 -0.799 0.000 0.648 305 V HN 0.203 nan 8.190 nan 0.000 0.447 306 K N -0.228 120.052 120.400 -0.200 0.000 2.063 306 K HA -0.251 4.065 4.320 -0.006 0.000 0.208 306 K C 2.391 179.029 176.600 0.064 0.000 1.048 306 K CA 1.664 57.990 56.287 0.064 0.000 0.928 306 K CB -0.288 32.276 32.500 0.106 0.000 0.713 306 K HN 0.155 nan 8.250 nan 0.000 0.442 307 R N 0.702 121.204 120.500 0.005 0.000 2.081 307 R HA -0.163 4.173 4.340 -0.006 0.000 0.235 307 R C 2.080 178.434 176.300 0.089 0.000 1.131 307 R CA 1.427 57.555 56.100 0.048 0.000 0.960 307 R CB -0.869 29.461 30.300 0.049 0.000 0.856 307 R HN 0.309 nan 8.270 nan 0.000 0.436 308 Y N 0.306 120.581 120.300 -0.041 0.000 2.114 308 Y HA -0.153 4.393 4.550 -0.006 0.000 0.284 308 Y C 1.759 177.632 175.900 -0.045 0.000 1.143 308 Y CA 2.017 60.147 58.100 0.050 0.000 1.135 308 Y CB -0.222 38.281 38.460 0.072 0.000 0.980 308 Y HN 0.031 nan 8.280 nan 0.000 0.499 309 L N -0.418 120.733 121.223 -0.120 0.000 2.083 309 L HA -0.233 4.103 4.340 -0.006 0.000 0.209 309 L C 2.394 179.165 176.870 -0.164 0.000 1.083 309 L CA 1.138 55.667 54.840 -0.518 0.000 0.752 309 L CB -0.626 40.996 42.059 -0.728 0.000 0.899 309 L HN 0.313 nan 8.230 nan 0.000 0.433 310 L N -0.635 120.628 121.223 0.067 0.000 2.141 310 L HA -0.181 4.155 4.340 -0.006 0.000 0.209 310 L C 2.187 179.125 176.870 0.113 0.000 1.094 310 L CA 0.844 55.761 54.840 0.129 0.000 0.763 310 L CB -0.564 41.535 42.059 0.067 0.000 0.908 310 L HN 0.265 nan 8.230 nan 0.000 0.437 311 D N -0.230 120.220 120.400 0.083 0.000 2.144 311 D HA -0.138 4.498 4.640 -0.006 0.000 0.199 311 D C 2.341 178.768 176.300 0.211 0.000 0.984 311 D CA 1.066 55.162 54.000 0.161 0.000 0.834 311 D CB -0.058 40.850 40.800 0.181 0.000 0.955 311 D HN 0.094 nan 8.370 nan 0.000 0.465 312 V N 1.622 121.525 119.914 -0.018 0.000 2.261 312 V HA -0.251 3.865 4.120 -0.006 0.000 0.246 312 V C 2.601 178.958 176.094 0.439 0.000 1.047 312 V CA 1.852 64.073 62.300 -0.131 0.000 1.015 312 V CB -0.864 30.726 31.823 -0.387 0.000 0.642 312 V HN 0.172 nan 8.190 nan 0.000 0.446 313 A N 0.850 123.926 122.820 0.426 0.000 1.892 313 A HA -0.286 4.030 4.320 -0.006 0.000 0.218 313 A C 2.478 180.464 177.584 0.670 0.000 1.188 313 A CA 3.014 55.350 52.037 0.498 0.000 0.631 313 A CB -1.126 18.048 19.000 0.291 0.000 0.822 313 A HN 0.661 nan 8.150 nan 0.000 0.447 314 T N -4.094 110.697 114.554 0.394 0.000 2.985 314 T HA -0.128 4.218 4.350 -0.006 0.000 0.266 314 T C 1.785 176.678 174.700 0.322 0.000 1.076 314 T CA 1.327 63.614 62.100 0.312 0.000 1.135 314 T CB -0.501 68.476 68.868 0.182 0.000 0.890 314 T HN 0.458 nan 8.240 nan 0.000 0.480 315 Y N 1.283 121.716 120.300 0.221 0.000 2.070 315 Y HA -0.118 4.428 4.550 -0.006 0.000 0.280 315 Y C 1.921 177.871 175.900 0.084 0.000 1.148 315 Y CA 1.019 59.163 58.100 0.073 0.000 1.125 315 Y CB -0.789 37.651 38.460 -0.033 0.000 0.975 315 Y HN 0.237 nan 8.280 nan 0.000 0.492 316 W N 0.275 121.751 121.300 0.293 0.000 2.392 316 W HA -0.132 4.524 4.660 -0.006 0.000 0.279 316 W C 2.297 178.908 176.519 0.153 0.000 1.225 316 W CA 1.273 58.763 57.345 0.242 0.000 1.233 316 W CB -0.415 29.279 29.460 0.391 0.000 1.122 316 W HN 0.086 nan 8.180 nan 0.000 0.561 317 I N -0.172 120.595 120.570 0.329 0.000 2.193 317 I HA -0.220 3.946 4.170 -0.006 0.000 0.240 317 I C 2.716 178.890 176.117 0.094 0.000 1.084 317 I CA 1.260 62.673 61.300 0.188 0.000 1.365 317 I CB -0.625 37.502 38.000 0.211 0.000 1.064 317 I HN -0.105 nan 8.210 nan 0.000 0.410 318 R N 0.949 121.480 120.500 0.051 0.000 2.073 318 R HA -0.178 4.158 4.340 -0.006 0.000 0.234 318 R C 2.142 178.360 176.300 -0.136 0.000 1.134 318 R CA 1.572 57.658 56.100 -0.023 0.000 0.952 318 R CB 0.012 30.309 30.300 -0.005 0.000 0.850 318 R HN 0.271 nan 8.270 nan 0.000 0.433 319 E N -0.683 119.331 120.200 -0.310 0.000 2.170 319 E HA -0.096 4.251 4.350 -0.006 0.000 0.191 319 E C 1.417 177.594 176.600 -0.705 0.000 0.981 319 E CA 0.995 57.039 56.400 -0.593 0.000 0.830 319 E CB 0.108 29.187 29.700 -1.035 0.000 0.775 319 E HN 0.380 nan 8.360 nan 0.000 0.470 320 F N 0.011 119.903 119.950 -0.097 0.000 2.706 320 F HA 0.158 4.681 4.527 -0.006 0.000 0.308 320 F C 0.264 176.081 175.800 0.030 0.000 1.095 320 F CA -0.258 57.744 58.000 0.004 0.000 1.244 320 F CB 0.556 39.620 39.000 0.107 0.000 1.063 320 F HN -0.183 nan 8.300 nan 0.000 0.582 321 D N 2.056 122.548 120.400 0.153 0.000 2.746 321 D HA -0.206 4.430 4.640 -0.006 0.000 0.236 321 D C 0.153 176.567 176.300 0.190 0.000 1.129 321 D CA 0.511 54.601 54.000 0.151 0.000 0.691 321 D CB -1.190 39.713 40.800 0.171 0.000 1.077 321 D HN 0.465 nan 8.370 nan 0.000 0.432 322 I N -3.347 117.303 120.570 0.133 0.000 3.060 322 I HA 0.192 4.358 4.170 -0.006 0.000 0.285 322 I C 0.950 177.108 176.117 0.069 0.000 1.190 322 I CA 0.007 61.340 61.300 0.055 0.000 1.363 322 I CB 0.603 38.529 38.000 -0.124 0.000 1.396 322 I HN -0.161 nan 8.210 nan 0.000 0.607 323 D N 2.646 123.112 120.400 0.111 0.000 2.398 323 D HA 0.282 4.918 4.640 -0.006 0.000 0.210 323 D C 0.517 177.048 176.300 0.386 0.000 1.094 323 D CA 0.241 54.352 54.000 0.186 0.000 0.839 323 D CB 1.219 42.045 40.800 0.044 0.000 0.963 323 D HN 0.855 nan 8.370 nan 0.000 0.506 324 G N 0.221 109.150 108.800 0.215 0.000 2.601 324 G HA2 0.401 4.357 3.960 -0.006 0.000 0.291 324 G HA3 0.401 4.357 3.960 -0.006 0.000 0.291 324 G C -2.265 172.626 174.900 -0.014 0.000 1.456 324 G CA -0.905 44.339 45.100 0.240 0.000 0.804 324 G HN 0.027 nan 8.290 nan 0.000 0.499 325 W N 1.175 122.498 121.300 0.038 0.000 2.715 325 W HA 0.584 5.241 4.660 -0.006 0.000 0.331 325 W C 0.212 176.540 176.519 -0.319 0.000 1.031 325 W CA -0.996 56.321 57.345 -0.046 0.000 1.237 325 W CB 2.076 31.616 29.460 0.134 0.000 1.378 325 W HN 0.369 nan 8.180 nan 0.000 0.454 326 R N 4.900 125.350 120.500 -0.084 0.000 2.229 326 R HA 0.387 4.723 4.340 -0.006 0.000 0.328 326 R C -1.073 175.028 176.300 -0.332 0.000 1.009 326 R CA -0.393 55.440 56.100 -0.445 0.000 0.864 326 R CB 0.534 30.429 30.300 -0.675 0.000 1.085 326 R HN 0.709 nan 8.270 nan 0.000 0.453 327 L N 4.404 125.301 121.223 -0.543 0.000 2.268 327 L HA 0.202 4.538 4.340 -0.006 0.000 0.289 327 L C 0.329 177.004 176.870 -0.324 0.000 1.064 327 L CA -0.725 53.795 54.840 -0.534 0.000 0.824 327 L CB 0.711 42.193 42.059 -0.960 0.000 1.202 327 L HN 0.501 nan 8.230 nan 0.000 0.433 328 D N 2.557 122.877 120.400 -0.134 0.000 2.458 328 D HA 0.078 4.714 4.640 -0.006 0.000 0.243 328 D C 0.715 177.007 176.300 -0.013 0.000 1.146 328 D CA 0.152 54.141 54.000 -0.018 0.000 0.877 328 D CB 0.881 41.746 40.800 0.108 0.000 1.176 328 D HN 0.319 nan 8.370 nan 0.000 0.461 329 V N 2.878 122.791 119.914 -0.001 0.000 5.482 329 V HA -0.319 3.797 4.120 -0.006 0.000 0.262 329 V C 1.686 177.830 176.094 0.082 0.000 0.664 329 V CA 0.953 63.291 62.300 0.064 0.000 0.609 329 V CB -2.441 29.488 31.823 0.177 0.000 0.306 329 V HN 0.734 nan 8.190 nan 0.000 0.731 330 A N 1.625 124.428 122.820 -0.028 0.000 1.972 330 A HA -0.219 4.097 4.320 -0.006 0.000 0.219 330 A C 1.913 179.599 177.584 0.170 0.000 1.169 330 A CA 1.958 54.022 52.037 0.046 0.000 0.635 330 A CB -0.588 18.110 19.000 -0.503 0.000 0.810 330 A HN 1.083 nan 8.150 nan 0.000 0.446 331 N N -0.713 117.916 118.700 -0.120 0.000 2.453 331 N HA -0.131 4.605 4.740 -0.006 0.000 0.183 331 N C 1.094 176.725 175.510 0.202 0.000 1.041 331 N CA 1.055 54.002 53.050 -0.172 0.000 0.900 331 N CB -0.213 38.096 38.487 -0.298 0.000 0.961 331 N HN 0.614 nan 8.380 nan 0.000 0.443 332 E N 0.007 120.322 120.200 0.192 0.000 2.479 332 E HA 0.223 4.569 4.350 -0.006 0.000 0.193 332 E C -0.134 176.555 176.600 0.148 0.000 1.049 332 E CA -0.103 56.398 56.400 0.167 0.000 0.870 332 E CB 0.447 30.221 29.700 0.123 0.000 0.944 332 E HN 0.450 nan 8.360 nan 0.000 0.492 333 I N 2.381 123.083 120.570 0.220 0.000 2.525 333 I HA 0.058 4.225 4.170 -0.006 0.000 0.301 333 I C 0.391 176.538 176.117 0.051 0.000 0.992 333 I CA -1.039 60.275 61.300 0.024 0.000 1.162 333 I CB 1.204 39.074 38.000 -0.216 0.000 1.332 333 I HN 0.016 nan 8.210 nan 0.000 0.458 334 D N 3.833 124.205 120.400 -0.046 0.000 2.400 334 D HA -0.052 4.584 4.640 -0.006 0.000 0.238 334 D C 0.497 176.841 176.300 0.074 0.000 1.157 334 D CA 0.007 54.022 54.000 0.025 0.000 0.889 334 D CB 0.931 41.768 40.800 0.061 0.000 1.199 334 D HN 0.587 nan 8.370 nan 0.000 0.436 335 H N 0.090 119.301 119.070 0.235 0.000 2.387 335 H HA -0.113 4.439 4.556 -0.006 0.000 0.299 335 H C 1.975 177.419 175.328 0.195 0.000 1.090 335 H CA 1.703 57.900 56.048 0.247 0.000 1.332 335 H CB 0.190 29.994 29.762 0.069 0.000 1.386 335 H HN 0.649 nan 8.280 nan 0.000 0.516 336 E N 0.242 120.588 120.200 0.244 0.000 2.085 336 E HA -0.228 4.119 4.350 -0.006 0.000 0.194 336 E C 1.742 178.432 176.600 0.150 0.000 0.994 336 E CA 1.130 57.630 56.400 0.166 0.000 0.801 336 E CB -0.137 29.636 29.700 0.123 0.000 0.743 336 E HN 0.455 nan 8.360 nan 0.000 0.453 337 F N -0.387 119.549 119.950 -0.023 0.000 2.134 337 F HA -0.157 4.367 4.527 -0.006 0.000 0.299 337 F C 1.608 177.439 175.800 0.051 0.000 1.097 337 F CA 1.647 59.585 58.000 -0.103 0.000 1.264 337 F CB -0.417 38.367 39.000 -0.360 0.000 1.001 337 F HN 0.113 nan 8.300 nan 0.000 0.479 338 W N 0.613 122.108 121.300 0.324 0.000 2.392 338 W HA -0.116 4.540 4.660 -0.007 0.000 0.279 338 W C 2.517 179.164 176.519 0.213 0.000 1.225 338 W CA 0.597 58.127 57.345 0.309 0.000 1.233 338 W CB -0.261 29.435 29.460 0.394 0.000 1.122 338 W HN -0.117 nan 8.180 nan 0.000 0.561 339 R N 0.317 121.022 120.500 0.342 0.000 2.073 339 R HA -0.109 4.228 4.340 -0.006 0.000 0.229 339 R C 1.863 178.243 176.300 0.133 0.000 1.120 339 R CA 1.349 57.577 56.100 0.213 0.000 0.967 339 R CB -0.438 29.949 30.300 0.144 0.000 0.862 339 R HN 0.307 nan 8.270 nan 0.000 0.436 340 E N 0.034 120.257 120.200 0.039 0.000 2.106 340 E HA -0.181 4.165 4.350 -0.006 0.000 0.192 340 E C 1.678 178.252 176.600 -0.043 0.000 0.984 340 E CA 0.901 57.276 56.400 -0.043 0.000 0.806 340 E CB -0.117 29.502 29.700 -0.135 0.000 0.750 340 E HN 0.196 nan 8.360 nan 0.000 0.458 341 F N 1.999 121.811 119.950 -0.229 0.000 2.069 341 F HA -0.231 4.293 4.527 -0.006 0.000 0.298 341 F C 2.500 178.356 175.800 0.093 0.000 1.113 341 F CA 1.751 59.697 58.000 -0.090 0.000 1.214 341 F CB -0.026 39.040 39.000 0.110 0.000 0.978 341 F HN -0.199 nan 8.300 nan 0.000 0.474 342 R N 0.127 120.818 120.500 0.319 0.000 2.073 342 R HA -0.199 4.138 4.340 -0.006 0.000 0.234 342 R C 2.305 178.635 176.300 0.050 0.000 1.134 342 R CA 2.012 58.229 56.100 0.195 0.000 0.952 342 R CB -0.428 30.020 30.300 0.247 0.000 0.850 342 R HN 0.443 nan 8.270 nan 0.000 0.433 343 Q N 0.097 119.925 119.800 0.048 0.000 2.045 343 Q HA -0.220 4.116 4.340 -0.006 0.000 0.206 343 Q C 2.082 178.075 176.000 -0.011 0.000 0.991 343 Q CA 2.171 57.985 55.803 0.019 0.000 0.851 343 Q CB -0.081 28.668 28.738 0.019 0.000 0.911 343 Q HN 0.488 nan 8.270 nan 0.000 0.418 344 E N -0.260 119.912 120.200 -0.046 0.000 2.047 344 E HA -0.156 4.190 4.350 -0.006 0.000 0.191 344 E C 2.143 178.706 176.600 -0.062 0.000 0.987 344 E CA 1.266 57.635 56.400 -0.053 0.000 0.799 344 E CB 0.050 29.710 29.700 -0.068 0.000 0.752 344 E HN 0.136 nan 8.360 nan 0.000 0.449 345 V N 1.779 121.604 119.914 -0.149 0.000 2.295 345 V HA -0.231 3.885 4.120 -0.006 0.000 0.246 345 V C 2.186 178.284 176.094 0.007 0.000 1.049 345 V CA 1.528 63.769 62.300 -0.097 0.000 1.024 345 V CB -0.333 31.344 31.823 -0.243 0.000 0.648 345 V HN 0.151 nan 8.190 nan 0.000 0.447 346 K N 0.310 120.717 120.400 0.011 0.000 2.148 346 K HA 0.014 4.331 4.320 -0.006 0.000 0.204 346 K C 2.246 178.868 176.600 0.036 0.000 1.050 346 K CA 1.391 57.704 56.287 0.042 0.000 0.942 346 K CB -0.673 31.851 32.500 0.040 0.000 0.724 346 K HN 0.472 nan 8.250 nan 0.000 0.446 347 A N 1.302 124.136 122.820 0.023 0.000 1.933 347 A HA -0.134 4.182 4.320 -0.006 0.000 0.218 347 A C 2.180 179.782 177.584 0.029 0.000 1.175 347 A CA 1.119 53.170 52.037 0.024 0.000 0.628 347 A CB -0.405 18.605 19.000 0.017 0.000 0.814 347 A HN 0.215 nan 8.150 nan 0.000 0.444 348 L N -1.202 120.041 121.223 0.034 0.000 2.044 348 L HA 0.174 4.510 4.340 -0.006 0.000 0.205 348 L C 0.937 177.836 176.870 0.049 0.000 1.075 348 L CA 1.953 56.818 54.840 0.043 0.000 0.747 348 L CB -0.025 42.068 42.059 0.056 0.000 0.903 348 L HN 0.315 nan 8.230 nan 0.000 0.435 349 K N -0.653 119.785 120.400 0.063 0.000 2.764 349 K HA 0.259 4.575 4.320 -0.006 0.000 0.239 349 K C -2.189 174.468 176.600 0.095 0.000 1.048 349 K CA -1.227 55.103 56.287 0.073 0.000 1.057 349 K CB 1.403 33.953 32.500 0.083 0.000 1.251 349 K HN -0.125 nan 8.250 nan 0.000 0.524 350 P HA -0.170 nan 4.420 nan 0.000 0.220 350 P C 0.198 177.586 177.300 0.147 0.000 1.144 350 P CA 1.095 64.251 63.100 0.092 0.000 0.800 350 P CB 0.395 32.135 31.700 0.067 0.000 0.772 351 D N -0.549 119.964 120.400 0.188 0.000 2.347 351 D HA -0.003 4.633 4.640 -0.006 0.000 0.215 351 D C 0.450 177.048 176.300 0.496 0.000 0.976 351 D CA 0.202 54.413 54.000 0.351 0.000 0.884 351 D CB -0.363 40.590 40.800 0.254 0.000 0.915 351 D HN -0.005 nan 8.370 nan 0.000 0.526 352 V N 1.860 121.975 119.914 0.334 0.000 2.540 352 V HA -0.147 3.969 4.120 -0.006 0.000 0.297 352 V C 0.122 176.465 176.094 0.415 0.000 1.024 352 V CA -0.216 62.309 62.300 0.375 0.000 1.105 352 V CB -0.030 31.948 31.823 0.260 0.000 0.938 352 V HN 0.092 nan 8.190 nan 0.000 0.482 353 Y N 6.275 126.769 120.300 0.323 0.000 2.336 353 Y HA 0.478 5.024 4.550 -0.006 0.000 0.335 353 Y C 0.146 176.096 175.900 0.083 0.000 1.046 353 Y CA -1.262 56.916 58.100 0.129 0.000 1.198 353 Y CB 0.719 39.249 38.460 0.117 0.000 1.182 353 Y HN 0.516 nan 8.280 nan 0.000 0.502 354 I N 8.624 129.102 120.570 -0.153 0.000 2.330 354 I HA 0.196 4.362 4.170 -0.006 0.000 0.286 354 I C -1.169 174.533 176.117 -0.693 0.000 1.025 354 I CA -0.776 60.383 61.300 -0.234 0.000 1.197 354 I CB 0.971 39.006 38.000 0.058 0.000 1.358 354 I HN 0.437 nan 8.210 nan 0.000 0.467 355 L N 6.831 127.510 121.223 -0.907 0.000 2.305 355 L HA 0.746 5.082 4.340 -0.006 0.000 0.284 355 L C 0.159 176.397 176.870 -1.052 0.000 1.013 355 L CA 0.041 54.238 54.840 -1.072 0.000 0.819 355 L CB 1.440 42.710 42.059 -1.314 0.000 1.227 355 L HN 0.508 nan 8.230 nan 0.000 0.417 356 G N 3.184 111.313 108.800 -1.118 0.000 2.367 356 G HA2 0.298 4.254 3.960 -0.006 0.000 0.314 356 G HA3 0.298 4.254 3.960 -0.006 0.000 0.314 356 G C -0.868 173.644 174.900 -0.646 0.000 1.130 356 G CA -0.494 43.890 45.100 -1.194 0.000 0.864 356 G HN 0.692 nan 8.290 nan 0.000 0.486 357 E N 2.294 122.204 120.200 -0.482 0.000 1.941 357 E HA 0.303 4.649 4.350 -0.006 0.000 0.275 357 E C -0.594 175.927 176.600 -0.132 0.000 1.113 357 E CA -0.154 56.114 56.400 -0.219 0.000 0.878 357 E CB 0.188 29.848 29.700 -0.068 0.000 1.070 357 E HN 0.310 nan 8.360 nan 0.000 0.399 358 I N 4.571 125.065 120.570 -0.127 0.000 2.500 358 I HA 0.131 4.297 4.170 -0.006 0.000 0.286 358 I C -0.310 175.809 176.117 0.002 0.000 1.063 358 I CA -0.817 60.368 61.300 -0.192 0.000 1.062 358 I CB 1.137 38.837 38.000 -0.499 0.000 1.223 358 I HN 0.648 nan 8.210 nan 0.000 0.435 359 W N 3.247 124.424 121.300 -0.204 0.000 2.770 359 W HA 0.022 4.679 4.660 -0.005 0.000 0.256 359 W C 1.248 177.798 176.519 0.052 0.000 1.291 359 W CA 0.174 57.504 57.345 -0.025 0.000 1.396 359 W CB -0.413 28.952 29.460 -0.159 0.000 1.114 359 W HN 0.588 nan 8.180 nan 0.000 0.637 360 H N -2.755 116.489 119.070 0.291 0.000 2.748 360 H HA 0.352 4.905 4.556 -0.006 0.000 0.315 360 H C -0.285 175.199 175.328 0.260 0.000 1.429 360 H CA -1.280 54.913 56.048 0.240 0.000 1.444 360 H CB -0.189 29.688 29.762 0.191 0.000 1.827 360 H HN -0.329 nan 8.280 nan 0.000 0.754 361 D N -0.553 120.148 120.400 0.501 0.000 2.581 361 D HA 0.064 4.700 4.640 -0.006 0.000 0.238 361 D C 0.081 176.744 176.300 0.606 0.000 1.145 361 D CA 0.698 54.962 54.000 0.440 0.000 0.866 361 D CB 0.232 41.222 40.800 0.316 0.000 1.151 361 D HN 0.744 nan 8.370 nan 0.000 0.500 362 A N 4.429 127.606 122.820 0.595 0.000 2.574 362 A HA 0.115 4.431 4.320 -0.006 0.000 0.283 362 A C 1.625 179.608 177.584 0.664 0.000 1.270 362 A CA -0.272 52.164 52.037 0.665 0.000 0.945 362 A CB -0.214 18.984 19.000 0.330 0.000 1.127 362 A HN 0.617 nan 8.150 nan 0.000 0.522 363 M N 1.283 121.239 119.600 0.592 0.000 2.108 363 M HA -0.097 4.379 4.480 -0.006 0.000 0.257 363 M C -1.167 175.247 176.300 0.190 0.000 1.071 363 M CA 2.203 57.741 55.300 0.396 0.000 1.093 363 M CB -1.080 31.706 32.600 0.310 0.000 1.345 363 M HN 0.185 nan 8.290 nan 0.000 0.403 364 P HA -0.168 nan 4.420 nan 0.000 0.221 364 P C 0.689 177.745 177.300 -0.406 0.000 1.145 364 P CA 1.356 64.267 63.100 -0.315 0.000 0.795 364 P CB -0.319 30.987 31.700 -0.657 0.000 0.775 365 W N -1.813 119.492 121.300 0.007 0.000 3.220 365 W HA 0.328 4.984 4.660 -0.007 0.000 0.328 365 W C 0.481 176.884 176.519 -0.192 0.000 1.205 365 W CA 0.114 57.312 57.345 -0.246 0.000 1.773 365 W CB 0.171 29.312 29.460 -0.532 0.000 1.086 365 W HN -0.050 nan 8.180 nan 0.000 0.622 366 L N 0.300 121.608 121.223 0.141 0.000 3.141 366 L HA 0.280 4.616 4.340 -0.006 0.000 0.267 366 L C 1.530 178.498 176.870 0.163 0.000 1.281 366 L CA -0.032 54.905 54.840 0.161 0.000 1.037 366 L CB 0.039 42.076 42.059 -0.038 0.000 1.407 366 L HN -0.226 nan 8.230 nan 0.000 0.566 367 R N 0.144 120.738 120.500 0.156 0.000 2.317 367 R HA 0.216 4.553 4.340 -0.006 0.000 0.208 367 R C 1.427 177.896 176.300 0.282 0.000 0.914 367 R CA 0.663 56.862 56.100 0.166 0.000 1.060 367 R CB 0.442 30.786 30.300 0.074 0.000 1.015 367 R HN 0.482 nan 8.270 nan 0.000 0.498 368 G N 1.337 110.352 108.800 0.359 0.000 2.253 368 G HA2 -0.238 3.719 3.960 -0.006 0.000 0.209 368 G HA3 -0.238 3.719 3.960 -0.006 0.000 0.209 368 G C 0.539 175.468 174.900 0.048 0.000 0.997 368 G CA 0.243 45.451 45.100 0.180 0.000 0.640 368 G HN 0.493 nan 8.290 nan 0.000 0.496 369 D N 0.077 120.523 120.400 0.076 0.000 2.349 369 D HA 0.188 4.824 4.640 -0.006 0.000 0.214 369 D C 1.453 177.814 176.300 0.101 0.000 1.063 369 D CA 0.852 54.893 54.000 0.068 0.000 0.847 369 D CB 0.243 41.077 40.800 0.056 0.000 0.933 369 D HN 0.580 nan 8.370 nan 0.000 0.513 370 Q N -0.972 118.884 119.800 0.094 0.000 1.915 370 Q HA 0.234 4.570 4.340 -0.006 0.000 0.153 370 Q C -0.362 175.802 176.000 0.274 0.000 0.480 370 Q CA -0.441 55.443 55.803 0.136 0.000 0.723 370 Q CB 0.672 29.356 28.738 -0.090 0.000 0.940 370 Q HN 0.003 nan 8.270 nan 0.000 0.357 371 F N 1.515 121.504 119.950 0.065 0.000 2.380 371 F HA 0.240 4.763 4.527 -0.007 0.000 0.321 371 F C 0.939 176.722 175.800 -0.029 0.000 1.103 371 F CA -1.098 56.867 58.000 -0.057 0.000 1.067 371 F CB 0.299 39.202 39.000 -0.161 0.000 1.265 371 F HN 0.166 nan 8.300 nan 0.000 0.517 372 D N 0.027 120.481 120.400 0.091 0.000 2.355 372 D HA 0.386 5.022 4.640 -0.006 0.000 0.206 372 D C 0.417 176.837 176.300 0.199 0.000 1.010 372 D CA 0.729 54.766 54.000 0.062 0.000 0.875 372 D CB 0.768 41.589 40.800 0.036 0.000 0.966 372 D HN 0.460 nan 8.370 nan 0.000 0.512 373 A N -0.214 122.597 122.820 -0.015 0.000 2.483 373 A HA 0.549 4.866 4.320 -0.006 0.000 0.294 373 A C -1.480 175.979 177.584 -0.209 0.000 1.077 373 A CA -0.512 51.486 52.037 -0.066 0.000 0.633 373 A CB 0.885 19.875 19.000 -0.016 0.000 1.318 373 A HN 0.041 nan 8.150 nan 0.000 0.455 374 V N -2.456 117.347 119.914 -0.185 0.000 3.078 374 V HA 0.767 4.883 4.120 -0.006 0.000 0.311 374 V C -0.150 175.818 176.094 -0.210 0.000 1.138 374 V CA -1.045 61.111 62.300 -0.239 0.000 1.007 374 V CB 1.810 33.563 31.823 -0.117 0.000 1.045 374 V HN 0.941 nan 8.190 nan 0.000 0.432 375 M N 3.257 122.697 119.600 -0.267 0.000 2.364 375 M HA 0.232 4.708 4.480 -0.006 0.000 0.342 375 M C 0.392 176.575 176.300 -0.195 0.000 1.601 375 M CA 0.183 55.349 55.300 -0.223 0.000 1.156 375 M CB -0.224 32.196 32.600 -0.299 0.000 1.912 375 M HN 0.778 nan 8.290 nan 0.000 0.460 376 N N 2.833 121.440 118.700 -0.156 0.000 3.103 376 N HA 0.007 4.744 4.740 -0.006 0.000 0.305 376 N C 0.163 175.628 175.510 -0.075 0.000 1.232 376 N CA 0.307 53.321 53.050 -0.060 0.000 1.190 376 N CB -0.192 38.268 38.487 -0.044 0.000 1.461 376 N HN 0.485 nan 8.380 nan 0.000 0.538 377 Y N 0.504 120.738 120.300 -0.110 0.000 2.352 377 Y HA -0.016 4.531 4.550 -0.006 0.000 0.292 377 Y C -0.621 175.308 175.900 0.048 0.000 1.136 377 Y CA 0.693 58.702 58.100 -0.152 0.000 1.227 377 Y CB -0.478 37.713 38.460 -0.449 0.000 0.991 377 Y HN 0.429 nan 8.280 nan 0.000 0.545 378 P HA -0.183 nan 4.420 nan 0.000 0.221 378 P C 1.386 178.814 177.300 0.212 0.000 1.150 378 P CA 1.291 64.531 63.100 0.233 0.000 0.800 378 P CB -0.186 31.655 31.700 0.236 0.000 0.787 379 F N 0.254 120.238 119.950 0.055 0.000 2.146 379 F HA -0.153 4.370 4.527 -0.006 0.000 0.298 379 F C 1.877 177.684 175.800 0.011 0.000 1.096 379 F CA 1.629 59.636 58.000 0.012 0.000 1.275 379 F CB -1.134 37.840 39.000 -0.044 0.000 1.008 379 F HN -0.183 nan 8.300 nan 0.000 0.480 380 T N -0.060 114.599 114.554 0.174 0.000 2.684 380 T HA -0.270 4.077 4.350 -0.006 0.000 0.267 380 T C 1.464 176.153 174.700 -0.018 0.000 1.036 380 T CA 1.946 64.066 62.100 0.033 0.000 1.148 380 T CB -0.599 68.294 68.868 0.041 0.000 0.863 380 T HN 0.393 nan 8.240 nan 0.000 0.436 381 D N 0.608 121.042 120.400 0.057 0.000 2.097 381 D HA -0.037 4.599 4.640 -0.006 0.000 0.195 381 D C 2.340 178.645 176.300 0.009 0.000 0.989 381 D CA 1.416 55.448 54.000 0.053 0.000 0.827 381 D CB -0.682 40.180 40.800 0.103 0.000 0.966 381 D HN 0.371 nan 8.370 nan 0.000 0.456 382 G N -0.077 108.723 108.800 -0.001 0.000 2.421 382 G HA2 -0.205 3.751 3.960 -0.006 0.000 0.216 382 G HA3 -0.205 3.751 3.960 -0.006 0.000 0.216 382 G C 1.832 176.770 174.900 0.063 0.000 1.171 382 G CA 1.053 46.172 45.100 0.032 0.000 0.775 382 G HN 0.297 nan 8.290 nan 0.000 0.543 383 V N 0.993 120.855 119.914 -0.088 0.000 2.343 383 V HA -0.132 3.984 4.120 -0.006 0.000 0.247 383 V C 2.918 178.951 176.094 -0.102 0.000 1.051 383 V CA 1.460 63.672 62.300 -0.148 0.000 1.036 383 V CB -0.451 31.149 31.823 -0.370 0.000 0.654 383 V HN 0.329 nan 8.190 nan 0.000 0.451 384 L N -0.701 120.469 121.223 -0.088 0.000 2.056 384 L HA -0.139 4.197 4.340 -0.006 0.000 0.207 384 L C 2.799 179.617 176.870 -0.087 0.000 1.078 384 L CA 1.521 56.319 54.840 -0.070 0.000 0.749 384 L CB -0.600 41.428 42.059 -0.052 0.000 0.901 384 L HN 0.218 nan 8.230 nan 0.000 0.433 385 R N -0.933 119.526 120.500 -0.067 0.000 2.127 385 R HA -0.195 4.141 4.340 -0.006 0.000 0.238 385 R C 2.169 178.406 176.300 -0.105 0.000 1.134 385 R CA 1.634 57.697 56.100 -0.061 0.000 0.975 385 R CB -0.313 29.978 30.300 -0.016 0.000 0.865 385 R HN 0.253 nan 8.270 nan 0.000 0.447 386 F N 0.136 119.843 119.950 -0.404 0.000 2.104 386 F HA -0.008 4.515 4.527 -0.007 0.000 0.288 386 F C 1.676 177.124 175.800 -0.587 0.000 1.107 386 F CA 1.043 58.649 58.000 -0.658 0.000 1.208 386 F CB -0.452 37.706 39.000 -1.403 0.000 1.033 386 F HN -0.225 nan 8.300 nan 0.000 0.478 387 F N 0.541 120.129 119.950 -0.603 0.000 2.163 387 F HA 0.076 4.600 4.527 -0.006 0.000 0.297 387 F C 2.485 178.057 175.800 -0.380 0.000 1.094 387 F CA 1.252 58.914 58.000 -0.562 0.000 1.290 387 F CB -1.401 37.379 39.000 -0.368 0.000 1.017 387 F HN 0.101 nan 8.300 nan 0.000 0.483 388 A N 0.078 122.836 122.820 -0.104 0.000 1.871 388 A HA -0.022 4.294 4.320 -0.006 0.000 0.211 388 A C 2.058 179.564 177.584 -0.130 0.000 1.207 388 A CA 0.895 52.860 52.037 -0.120 0.000 0.620 388 A CB -0.372 18.572 19.000 -0.095 0.000 0.860 388 A HN 0.262 nan 8.150 nan 0.000 0.450 389 K N -0.474 119.854 120.400 -0.121 0.000 2.314 389 K HA 0.086 4.402 4.320 -0.006 0.000 0.198 389 K C -0.417 176.117 176.600 -0.111 0.000 1.045 389 K CA 0.554 56.781 56.287 -0.099 0.000 0.988 389 K CB 0.130 32.586 32.500 -0.073 0.000 0.783 389 K HN 0.516 nan 8.250 nan 0.000 0.484 390 E N 0.546 120.644 120.200 -0.169 0.000 2.360 390 E HA -0.246 4.101 4.350 -0.006 0.000 0.238 390 E C -0.259 176.280 176.600 -0.101 0.000 1.186 390 E CA 0.440 56.730 56.400 -0.184 0.000 0.719 390 E CB -1.259 28.360 29.700 -0.135 0.000 1.236 390 E HN 0.463 nan 8.360 nan 0.000 0.386 391 E N -0.177 119.976 120.200 -0.078 0.000 2.474 391 E HA 0.111 4.457 4.350 -0.006 0.000 0.194 391 E C 1.049 177.636 176.600 -0.021 0.000 1.041 391 E CA 0.570 56.944 56.400 -0.044 0.000 0.874 391 E CB 0.214 29.891 29.700 -0.039 0.000 0.914 391 E HN 0.483 nan 8.360 nan 0.000 0.498 392 I N -2.528 118.045 120.570 0.005 0.000 2.969 392 I HA 0.428 4.594 4.170 -0.006 0.000 0.307 392 I C 0.039 176.230 176.117 0.122 0.000 1.149 392 I CA -1.287 60.037 61.300 0.041 0.000 1.008 392 I CB 2.039 40.063 38.000 0.040 0.000 1.232 392 I HN -0.220 nan 8.210 nan 0.000 0.435 393 S N 2.836 118.582 115.700 0.076 0.000 2.634 393 S HA 0.564 5.030 4.470 -0.006 0.000 0.261 393 S C 1.196 175.840 174.600 0.072 0.000 1.271 393 S CA -0.056 58.207 58.200 0.104 0.000 0.985 393 S CB 1.522 64.732 63.200 0.016 0.000 0.968 393 S HN 1.025 nan 8.310 nan 0.000 0.568 394 A N 0.708 123.575 122.820 0.079 0.000 1.972 394 A HA -0.062 4.254 4.320 -0.006 0.000 0.219 394 A C 2.290 179.759 177.584 -0.191 0.000 1.169 394 A CA 1.477 53.382 52.037 -0.220 0.000 0.635 394 A CB -0.815 18.217 19.000 0.053 0.000 0.810 394 A HN 0.922 nan 8.150 nan 0.000 0.446 395 R N -0.336 120.113 120.500 -0.085 0.000 2.066 395 R HA -0.160 4.177 4.340 -0.006 0.000 0.232 395 R C 2.269 178.468 176.300 -0.168 0.000 1.131 395 R CA 1.812 57.849 56.100 -0.105 0.000 0.955 395 R CB -0.326 29.916 30.300 -0.098 0.000 0.851 395 R HN 0.673 nan 8.270 nan 0.000 0.432 396 Q N -0.627 119.092 119.800 -0.136 0.000 2.167 396 Q HA -0.176 4.161 4.340 -0.006 0.000 0.202 396 Q C 1.869 177.760 176.000 -0.182 0.000 0.970 396 Q CA 1.463 57.185 55.803 -0.135 0.000 0.855 396 Q CB -0.178 28.513 28.738 -0.078 0.000 0.911 396 Q HN 0.316 nan 8.270 nan 0.000 0.438 397 F N 1.319 121.011 119.950 -0.429 0.000 2.146 397 F HA -0.108 4.415 4.527 -0.007 0.000 0.298 397 F C 2.131 177.538 175.800 -0.655 0.000 1.096 397 F CA 1.186 58.830 58.000 -0.595 0.000 1.275 397 F CB -0.507 37.838 39.000 -1.092 0.000 1.008 397 F HN -0.011 nan 8.300 nan 0.000 0.480 398 A N 0.734 123.028 122.820 -0.876 0.000 1.883 398 A HA -0.238 4.078 4.320 -0.006 0.000 0.217 398 A C 2.124 179.266 177.584 -0.735 0.000 1.186 398 A CA 1.986 53.237 52.037 -1.309 0.000 0.624 398 A CB -1.037 17.471 19.000 -0.820 0.000 0.822 398 A HN 0.513 nan 8.150 nan 0.000 0.444 399 N N -0.530 117.933 118.700 -0.396 0.000 2.069 399 N HA -0.190 4.547 4.740 -0.006 0.000 0.191 399 N C 1.892 177.313 175.510 -0.148 0.000 1.031 399 N CA 1.764 54.697 53.050 -0.195 0.000 0.852 399 N CB -0.484 37.914 38.487 -0.148 0.000 1.018 399 N HN 0.607 nan 8.380 nan 0.000 0.423 400 Q N 0.308 119.970 119.800 -0.231 0.000 2.084 400 Q HA 0.046 4.382 4.340 -0.006 0.000 0.202 400 Q C 1.816 177.746 176.000 -0.116 0.000 0.978 400 Q CA 1.239 56.957 55.803 -0.142 0.000 0.844 400 Q CB -0.161 28.482 28.738 -0.158 0.000 0.898 400 Q HN 0.232 nan 8.270 nan 0.000 0.426 401 M N -0.889 118.509 119.600 -0.338 0.000 2.132 401 M HA -0.092 4.385 4.480 -0.006 0.000 0.263 401 M C 1.881 178.219 176.300 0.063 0.000 1.065 401 M CA 1.210 56.419 55.300 -0.151 0.000 1.122 401 M CB -0.725 31.711 32.600 -0.274 0.000 1.365 401 M HN 0.320 nan 8.290 nan 0.000 0.411 402 M N -1.365 118.258 119.600 0.038 0.000 2.175 402 M HA -0.174 4.302 4.480 -0.006 0.000 0.264 402 M C 2.153 178.564 176.300 0.185 0.000 1.063 402 M CA 1.620 57.045 55.300 0.209 0.000 1.119 402 M CB -1.554 31.164 32.600 0.197 0.000 1.377 402 M HN 0.324 nan 8.290 nan 0.000 0.415 403 H N 1.024 120.124 119.070 0.050 0.000 2.270 403 H HA -0.119 4.434 4.556 -0.006 0.000 0.299 403 H C 1.956 177.275 175.328 -0.014 0.000 1.077 403 H CA 2.852 58.930 56.048 0.050 0.000 1.294 403 H CB -0.170 29.625 29.762 0.056 0.000 1.371 403 H HN 0.157 nan 8.280 nan 0.000 0.491 404 V N -0.904 119.033 119.914 0.039 0.000 2.515 404 V HA -0.155 3.961 4.120 -0.006 0.000 0.250 404 V C 2.445 178.477 176.094 -0.104 0.000 1.058 404 V CA 1.816 64.088 62.300 -0.047 0.000 1.064 404 V CB -0.934 30.956 31.823 0.112 0.000 0.675 404 V HN 0.381 nan 8.190 nan 0.000 0.461 405 L N -0.482 120.723 121.223 -0.030 0.000 2.056 405 L HA -0.059 4.277 4.340 -0.006 0.000 0.207 405 L C 2.888 179.579 176.870 -0.299 0.000 1.078 405 L CA 1.708 56.492 54.840 -0.093 0.000 0.749 405 L CB -0.879 41.121 42.059 -0.099 0.000 0.901 405 L HN 0.387 nan 8.230 nan 0.000 0.433 406 H N -0.893 117.956 119.070 -0.369 0.000 2.559 406 H HA -0.030 4.522 4.556 -0.006 0.000 0.273 406 H C 2.358 177.374 175.328 -0.520 0.000 1.000 406 H CA 1.175 56.888 56.048 -0.559 0.000 1.195 406 H CB 0.218 29.267 29.762 -1.188 0.000 1.368 406 H HN 0.394 nan 8.280 nan 0.000 0.592 407 S N -0.228 115.227 115.700 -0.409 0.000 2.522 407 S HA -0.045 4.421 4.470 -0.006 0.000 0.227 407 S C 0.264 174.622 174.600 -0.403 0.000 0.986 407 S CA 0.168 58.095 58.200 -0.455 0.000 0.929 407 S CB -0.076 62.761 63.200 -0.605 0.000 0.769 407 S HN 0.108 nan 8.310 nan 0.000 0.529 408 Y N 0.816 121.008 120.300 -0.180 0.000 2.602 408 Y HA 0.671 5.218 4.550 -0.006 0.000 0.342 408 Y C -2.750 172.983 175.900 -0.279 0.000 1.029 408 Y CA -3.073 54.906 58.100 -0.201 0.000 1.080 408 Y CB 0.534 38.883 38.460 -0.185 0.000 1.284 408 Y HN -0.083 nan 8.280 nan 0.000 0.485 409 P HA 0.147 nan 4.420 nan 0.000 0.272 409 P C 0.075 177.160 177.300 -0.359 0.000 1.230 409 P CA 0.008 62.673 63.100 -0.725 0.000 0.788 409 P CB 0.866 31.711 31.700 -1.425 0.000 0.949 410 N N 1.897 120.574 118.700 -0.039 0.000 2.069 410 N HA -0.169 4.567 4.740 -0.006 0.000 0.191 410 N C 1.230 176.781 175.510 0.069 0.000 1.031 410 N CA 1.530 54.633 53.050 0.088 0.000 0.852 410 N CB -0.885 37.773 38.487 0.285 0.000 1.018 410 N HN 0.517 nan 8.380 nan 0.000 0.423 411 N N 0.346 119.108 118.700 0.103 0.000 2.453 411 N HA -0.070 4.667 4.740 -0.006 0.000 0.183 411 N C 1.446 176.819 175.510 -0.227 0.000 1.041 411 N CA 0.559 53.615 53.050 0.009 0.000 0.900 411 N CB -0.693 37.766 38.487 -0.047 0.000 0.961 411 N HN 0.092 nan 8.380 nan 0.000 0.443 412 V N 1.216 120.809 119.914 -0.535 0.000 2.407 412 V HA -0.114 4.003 4.120 -0.006 0.000 0.245 412 V C 1.873 177.780 176.094 -0.312 0.000 1.041 412 V CA 1.316 63.190 62.300 -0.711 0.000 1.040 412 V CB -0.570 30.749 31.823 -0.840 0.000 0.671 412 V HN 0.282 nan 8.190 nan 0.000 0.455 413 N N 0.374 118.950 118.700 -0.206 0.000 2.223 413 N HA -0.166 4.571 4.740 -0.006 0.000 0.185 413 N C 1.745 177.205 175.510 -0.083 0.000 1.016 413 N CA 1.133 54.120 53.050 -0.105 0.000 0.863 413 N CB -0.212 38.222 38.487 -0.089 0.000 0.983 413 N HN 0.585 nan 8.380 nan 0.000 0.429 414 E N 0.010 120.173 120.200 -0.062 0.000 2.409 414 E HA 0.020 4.366 4.350 -0.006 0.000 0.198 414 E C 0.878 177.471 176.600 -0.011 0.000 1.024 414 E CA 0.586 56.966 56.400 -0.033 0.000 0.861 414 E CB 0.128 29.843 29.700 0.024 0.000 0.788 414 E HN 0.324 nan 8.360 nan 0.000 0.521 415 A N 0.356 123.189 122.820 0.021 0.000 2.508 415 A HA 0.512 4.828 4.320 -0.006 0.000 0.257 415 A C 0.689 178.348 177.584 0.126 0.000 1.226 415 A CA -0.113 51.970 52.037 0.078 0.000 0.947 415 A CB 0.439 19.547 19.000 0.180 0.000 1.079 415 A HN 0.165 nan 8.150 nan 0.000 0.531 416 A N -0.268 122.579 122.820 0.046 0.000 2.511 416 A HA 0.436 4.753 4.320 -0.006 0.000 0.242 416 A C -0.293 177.342 177.584 0.086 0.000 1.069 416 A CA 0.034 52.095 52.037 0.041 0.000 0.763 416 A CB -0.409 18.584 19.000 -0.011 0.000 1.001 416 A HN 0.544 nan 8.150 nan 0.000 0.498 417 F N 3.677 123.568 119.950 -0.097 0.000 2.515 417 F HA 0.179 4.702 4.527 -0.007 0.000 0.353 417 F C 0.057 175.707 175.800 -0.250 0.000 1.213 417 F CA -0.749 57.164 58.000 -0.145 0.000 1.194 417 F CB 0.050 38.913 39.000 -0.229 0.000 1.488 417 F HN 0.517 nan 8.300 nan 0.000 0.619 418 N N 7.724 126.180 118.700 -0.407 0.000 2.415 418 N HA 0.231 4.967 4.740 -0.006 0.000 0.246 418 N C -0.454 174.752 175.510 -0.506 0.000 1.078 418 N CA -0.107 52.547 53.050 -0.660 0.000 0.942 418 N CB 1.132 38.998 38.487 -1.036 0.000 1.140 418 N HN 0.603 nan 8.380 nan 0.000 0.501 419 L N -1.272 119.747 121.223 -0.340 0.000 2.303 419 L HA 0.617 4.953 4.340 -0.006 0.000 0.266 419 L C 0.157 177.008 176.870 -0.033 0.000 1.011 419 L CA -0.940 53.765 54.840 -0.226 0.000 0.818 419 L CB 1.478 43.347 42.059 -0.317 0.000 1.326 419 L HN 0.229 nan 8.230 nan 0.000 0.435 420 L N 0.493 121.675 121.223 -0.068 0.000 2.701 420 L HA 0.557 4.893 4.340 -0.006 0.000 0.238 420 L C 0.712 177.519 176.870 -0.104 0.000 1.106 420 L CA 0.383 55.179 54.840 -0.072 0.000 0.898 420 L CB 0.755 42.713 42.059 -0.168 0.000 1.188 420 L HN 0.965 nan 8.230 nan 0.000 0.508 421 G N -0.686 108.039 108.800 -0.124 0.000 2.451 421 G HA2 0.490 4.446 3.960 -0.006 0.000 0.292 421 G HA3 0.490 4.446 3.960 -0.006 0.000 0.292 421 G C -1.285 173.470 174.900 -0.241 0.000 1.427 421 G CA 0.350 45.364 45.100 -0.144 0.000 0.792 421 G HN -0.004 nan 8.290 nan 0.000 0.498 422 S N -1.822 113.608 115.700 -0.450 0.000 2.755 422 S HA 0.468 4.934 4.470 -0.006 0.000 0.286 422 S C 0.661 174.688 174.600 -0.956 0.000 1.207 422 S CA 0.320 58.136 58.200 -0.640 0.000 0.892 422 S CB 0.786 64.003 63.200 0.028 0.000 1.240 422 S HN 1.600 nan 8.310 nan 0.000 0.525 423 H N 0.217 118.949 119.070 -0.563 0.000 2.556 423 H HA 0.300 4.853 4.556 -0.006 0.000 0.268 423 H C -0.346 174.918 175.328 -0.107 0.000 0.996 423 H CA 0.783 56.697 56.048 -0.223 0.000 1.157 423 H CB -0.563 29.257 29.762 0.097 0.000 1.355 423 H HN 0.545 nan 8.280 nan 0.000 0.597 424 D N 1.231 121.439 120.400 -0.320 0.000 2.462 424 D HA 0.088 4.724 4.640 -0.006 0.000 0.221 424 D C 0.444 176.754 176.300 0.017 0.000 1.173 424 D CA 0.342 54.239 54.000 -0.172 0.000 0.831 424 D CB 1.032 41.790 40.800 -0.070 0.000 1.001 424 D HN 0.546 nan 8.370 nan 0.000 0.499 425 T N -3.168 111.357 114.554 -0.049 0.000 2.865 425 T HA 0.530 4.876 4.350 -0.006 0.000 0.294 425 T C 0.196 174.860 174.700 -0.059 0.000 1.119 425 T CA -0.610 61.489 62.100 -0.001 0.000 1.007 425 T CB 2.016 70.901 68.868 0.028 0.000 1.225 425 T HN -0.263 nan 8.240 nan 0.000 0.515 426 S N 0.864 116.545 115.700 -0.032 0.000 2.600 426 S HA 0.394 4.860 4.470 -0.006 0.000 0.265 426 S C 0.438 175.013 174.600 -0.043 0.000 1.325 426 S CA -0.862 57.316 58.200 -0.037 0.000 1.002 426 S CB 0.144 63.327 63.200 -0.029 0.000 0.921 426 S HN 0.532 nan 8.310 nan 0.000 0.554 427 R N 1.823 122.305 120.500 -0.030 0.000 2.537 427 R HA 0.092 4.429 4.340 -0.006 0.000 0.280 427 R C 1.627 177.905 176.300 -0.036 0.000 1.058 427 R CA -0.104 55.986 56.100 -0.017 0.000 1.057 427 R CB -0.124 30.165 30.300 -0.018 0.000 0.973 427 R HN 0.738 nan 8.270 nan 0.000 0.438 428 I N 0.315 120.859 120.570 -0.045 0.000 2.264 428 I HA -0.270 3.896 4.170 -0.006 0.000 0.248 428 I C 1.878 177.954 176.117 -0.069 0.000 1.111 428 I CA 1.232 62.487 61.300 -0.076 0.000 1.382 428 I CB -0.320 37.600 38.000 -0.132 0.000 1.060 428 I HN 0.352 nan 8.210 nan 0.000 0.418 429 L N 1.514 122.710 121.223 -0.046 0.000 2.083 429 L HA -0.108 4.228 4.340 -0.006 0.000 0.209 429 L C 2.395 179.235 176.870 -0.051 0.000 1.083 429 L CA 2.194 57.008 54.840 -0.043 0.000 0.752 429 L CB -1.063 40.983 42.059 -0.022 0.000 0.899 429 L HN 0.240 nan 8.230 nan 0.000 0.433 430 T N -1.276 113.250 114.554 -0.046 0.000 2.857 430 T HA -0.100 4.247 4.350 -0.006 0.000 0.266 430 T C 1.941 176.611 174.700 -0.051 0.000 1.048 430 T CA 1.435 63.507 62.100 -0.045 0.000 1.139 430 T CB -0.226 68.618 68.868 -0.039 0.000 0.874 430 T HN 0.198 nan 8.240 nan 0.000 0.455 431 V N 0.816 120.698 119.914 -0.054 0.000 2.490 431 V HA -0.146 3.970 4.120 -0.006 0.000 0.250 431 V C 2.351 178.401 176.094 -0.072 0.000 1.061 431 V CA 1.048 63.313 62.300 -0.057 0.000 1.064 431 V CB -0.703 31.085 31.823 -0.057 0.000 0.670 431 V HN 0.554 nan 8.190 nan 0.000 0.461 432 C N 0.990 120.240 119.300 -0.083 0.000 2.573 432 C HA 0.415 4.871 4.460 -0.006 0.000 0.273 432 C C 1.934 176.863 174.990 -0.102 0.000 1.346 432 C CA 0.098 59.051 59.018 -0.108 0.000 1.702 432 C CB -1.593 26.072 27.740 -0.124 0.000 1.751 432 C HN 0.826 nan 8.230 nan 0.000 0.583 433 G N 0.516 109.271 108.800 -0.076 0.000 2.249 433 G HA2 0.004 3.960 3.960 -0.006 0.000 0.273 433 G HA3 0.004 3.960 3.960 -0.006 0.000 0.273 433 G C 0.959 175.822 174.900 -0.062 0.000 1.036 433 G CA 0.550 45.612 45.100 -0.064 0.000 0.824 433 G HN 1.492 nan 8.290 nan 0.000 0.504 434 G N -1.029 107.735 108.800 -0.061 0.000 2.162 434 G HA2 -0.248 3.709 3.960 -0.006 0.000 0.260 434 G HA3 -0.248 3.709 3.960 -0.006 0.000 0.260 434 G C 0.191 175.054 174.900 -0.063 0.000 0.976 434 G CA 0.911 45.980 45.100 -0.052 0.000 0.655 434 G HN 1.296 nan 8.290 nan 0.000 0.533 435 D N 0.986 121.329 120.400 -0.095 0.000 2.393 435 D HA 0.363 4.999 4.640 -0.006 0.000 0.232 435 D C 1.905 178.130 176.300 -0.125 0.000 1.192 435 D CA -0.814 53.111 54.000 -0.126 0.000 0.882 435 D CB -0.046 40.626 40.800 -0.213 0.000 1.038 435 D HN 0.036 nan 8.370 nan 0.000 0.499 436 I N 3.587 124.111 120.570 -0.077 0.000 2.335 436 I HA -0.258 3.909 4.170 -0.006 0.000 0.251 436 I C 2.126 178.196 176.117 -0.078 0.000 1.129 436 I CA 0.965 62.234 61.300 -0.051 0.000 1.402 436 I CB -0.402 37.586 38.000 -0.021 0.000 1.069 436 I HN 0.437 nan 8.210 nan 0.000 0.424 437 R N 0.754 121.191 120.500 -0.104 0.000 2.105 437 R HA -0.167 4.169 4.340 -0.006 0.000 0.239 437 R C 2.238 178.435 176.300 -0.172 0.000 1.135 437 R CA 1.205 57.248 56.100 -0.095 0.000 0.967 437 R CB -0.205 30.061 30.300 -0.056 0.000 0.861 437 R HN 0.411 nan 8.270 nan 0.000 0.442 438 K N 0.168 120.390 120.400 -0.296 0.000 2.103 438 K HA -0.049 4.268 4.320 -0.006 0.000 0.204 438 K C 2.073 178.563 176.600 -0.183 0.000 1.052 438 K CA 1.091 57.208 56.287 -0.283 0.000 0.945 438 K CB -0.016 32.284 32.500 -0.334 0.000 0.722 438 K HN -0.002 nan 8.250 nan 0.000 0.443 439 V N 2.152 121.989 119.914 -0.128 0.000 2.343 439 V HA -0.260 3.856 4.120 -0.006 0.000 0.247 439 V C 2.012 178.121 176.094 0.025 0.000 1.051 439 V CA 1.719 63.981 62.300 -0.063 0.000 1.036 439 V CB -0.416 31.428 31.823 0.036 0.000 0.654 439 V HN 0.295 nan 8.190 nan 0.000 0.451 440 K N -0.200 120.184 120.400 -0.026 0.000 2.103 440 K HA -0.117 4.200 4.320 -0.006 0.000 0.207 440 K C 2.070 178.578 176.600 -0.153 0.000 1.048 440 K CA 1.294 57.505 56.287 -0.126 0.000 0.930 440 K CB -0.273 31.942 32.500 -0.475 0.000 0.716 440 K HN 0.379 nan 8.250 nan 0.000 0.444 441 L N 0.746 121.809 121.223 -0.267 0.000 2.093 441 L HA -0.153 4.183 4.340 -0.006 0.000 0.208 441 L C 2.268 178.754 176.870 -0.640 0.000 1.085 441 L CA 0.839 55.414 54.840 -0.443 0.000 0.755 441 L CB -0.374 41.482 42.059 -0.339 0.000 0.904 441 L HN 0.192 nan 8.230 nan 0.000 0.435 442 L N -1.179 119.751 121.223 -0.488 0.000 2.017 442 L HA -0.237 4.099 4.340 -0.006 0.000 0.208 442 L C 2.519 179.238 176.870 -0.252 0.000 1.073 442 L CA 1.588 56.160 54.840 -0.447 0.000 0.745 442 L CB -0.540 41.299 42.059 -0.367 0.000 0.894 442 L HN 0.115 nan 8.230 nan 0.000 0.432 443 F N -0.612 119.282 119.950 -0.093 0.000 2.171 443 F HA -0.261 4.263 4.527 -0.006 0.000 0.300 443 F C 2.326 178.089 175.800 -0.062 0.000 1.090 443 F CA 0.967 58.947 58.000 -0.033 0.000 1.293 443 F CB -0.251 38.756 39.000 0.012 0.000 1.013 443 F HN 0.031 nan 8.300 nan 0.000 0.486 444 L N -0.490 120.782 121.223 0.081 0.000 1.989 444 L HA -0.245 4.092 4.340 -0.006 0.000 0.211 444 L C 2.127 179.058 176.870 0.103 0.000 1.071 444 L CA 1.823 56.654 54.840 -0.016 0.000 0.749 444 L CB -1.163 40.769 42.059 -0.211 0.000 0.890 444 L HN 0.131 nan 8.230 nan 0.000 0.431 445 F N 0.091 120.006 119.950 -0.058 0.000 2.113 445 F HA -0.217 4.307 4.527 -0.006 0.000 0.297 445 F C 2.713 178.638 175.800 0.208 0.000 1.103 445 F CA 2.119 60.190 58.000 0.118 0.000 1.248 445 F CB -0.458 38.557 39.000 0.025 0.000 0.999 445 F HN 0.331 nan 8.300 nan 0.000 0.475 446 Q N 0.267 120.198 119.800 0.219 0.000 2.061 446 Q HA -0.202 4.134 4.340 -0.006 0.000 0.204 446 Q C 2.021 178.095 176.000 0.124 0.000 0.984 446 Q CA 1.982 57.919 55.803 0.223 0.000 0.846 446 Q CB -0.324 28.523 28.738 0.181 0.000 0.902 446 Q HN 0.518 nan 8.270 nan 0.000 0.421 447 L N 0.366 121.652 121.223 0.106 0.000 2.610 447 L HA -0.000 4.336 4.340 -0.006 0.000 0.232 447 L C 1.649 178.546 176.870 0.045 0.000 1.149 447 L CA 0.985 55.865 54.840 0.067 0.000 0.872 447 L CB -0.019 42.069 42.059 0.049 0.000 0.992 447 L HN 0.338 nan 8.230 nan 0.000 0.447 448 T N -4.783 109.803 114.554 0.053 0.000 3.044 448 T HA 0.144 4.490 4.350 -0.006 0.000 0.260 448 T C 0.116 174.833 174.700 0.028 0.000 1.019 448 T CA -0.303 61.829 62.100 0.054 0.000 0.921 448 T CB -0.099 68.845 68.868 0.126 0.000 1.053 448 T HN -0.066 nan 8.240 nan 0.000 0.533 449 F N 2.973 122.806 119.950 -0.196 0.000 2.394 449 F HA 0.508 5.032 4.527 -0.006 0.000 0.340 449 F C 0.472 176.178 175.800 -0.158 0.000 1.105 449 F CA -0.630 57.223 58.000 -0.245 0.000 1.124 449 F CB 1.251 40.092 39.000 -0.265 0.000 1.145 449 F HN -0.084 nan 8.300 nan 0.000 0.505 450 T N 4.202 118.458 114.554 -0.498 0.000 2.916 450 T HA 0.518 4.864 4.350 -0.006 0.000 0.303 450 T C 0.345 174.933 174.700 -0.186 0.000 1.025 450 T CA 0.874 62.784 62.100 -0.317 0.000 1.142 450 T CB 0.321 68.964 68.868 -0.376 0.000 0.947 450 T HN 1.085 nan 8.240 nan 0.000 0.544 451 G N 1.634 110.377 108.800 -0.096 0.000 2.270 451 G HA2 0.161 4.117 3.960 -0.006 0.000 0.268 451 G HA3 0.161 4.117 3.960 -0.006 0.000 0.268 451 G C -0.588 174.296 174.900 -0.027 0.000 1.312 451 G CA -0.295 44.775 45.100 -0.051 0.000 1.050 451 G HN 0.722 nan 8.290 nan 0.000 0.474 452 S N 2.863 118.565 115.700 0.003 0.000 2.269 452 S HA 0.632 5.099 4.470 -0.006 0.000 0.194 452 S C -2.233 172.365 174.600 -0.003 0.000 1.547 452 S CA -0.782 57.463 58.200 0.075 0.000 1.186 452 S CB 0.875 64.191 63.200 0.194 0.000 1.069 452 S HN 0.617 nan 8.310 nan 0.000 0.473 453 P HA 0.202 nan 4.420 nan 0.000 0.269 453 P C -0.456 176.744 177.300 -0.167 0.000 1.215 453 P CA -0.323 62.668 63.100 -0.181 0.000 0.780 453 P CB 0.726 32.384 31.700 -0.071 0.000 0.898 454 C N 3.918 123.018 119.300 -0.334 0.000 2.547 454 C HA 0.639 5.095 4.460 -0.006 0.000 0.313 454 C C -0.356 174.629 174.990 -0.008 0.000 1.191 454 C CA -0.670 58.236 59.018 -0.187 0.000 1.474 454 C CB -0.169 27.197 27.740 -0.622 0.000 2.081 454 C HN 0.465 nan 8.230 nan 0.000 0.476 455 I N 5.323 125.978 120.570 0.142 0.000 2.377 455 I HA 0.266 4.432 4.170 -0.006 0.000 0.293 455 I C -0.822 175.327 176.117 0.052 0.000 0.987 455 I CA -0.580 60.820 61.300 0.167 0.000 1.185 455 I CB 1.199 39.379 38.000 0.300 0.000 1.341 455 I HN 0.623 nan 8.210 nan 0.000 0.455 456 Y N 8.214 128.465 120.300 -0.080 0.000 2.359 456 Y HA 0.155 4.701 4.550 -0.006 0.000 0.334 456 Y C -0.005 175.728 175.900 -0.280 0.000 1.058 456 Y CA -1.114 56.905 58.100 -0.134 0.000 1.244 456 Y CB 0.209 38.620 38.460 -0.082 0.000 1.187 456 Y HN 0.445 nan 8.280 nan 0.000 0.510 457 Y N 4.591 124.362 120.300 -0.882 0.000 2.944 457 Y HA 0.274 4.821 4.550 -0.006 0.000 0.340 457 Y C 1.064 176.717 175.900 -0.413 0.000 1.275 457 Y CA 0.055 57.728 58.100 -0.713 0.000 1.590 457 Y CB -0.156 38.084 38.460 -0.367 0.000 1.218 457 Y HN 0.938 nan 8.280 nan 0.000 0.576 458 G N 2.927 111.622 108.800 -0.175 0.000 2.268 458 G HA2 -0.348 3.608 3.960 -0.006 0.000 0.240 458 G HA3 -0.348 3.608 3.960 -0.006 0.000 0.240 458 G C 0.760 175.602 174.900 -0.096 0.000 1.010 458 G CA 0.314 45.278 45.100 -0.226 0.000 0.618 458 G HN 0.611 nan 8.290 nan 0.000 0.516 459 D N 1.244 121.621 120.400 -0.038 0.000 2.219 459 D HA -0.006 4.631 4.640 -0.006 0.000 0.205 459 D C 2.434 178.934 176.300 0.332 0.000 0.970 459 D CA 1.317 55.411 54.000 0.157 0.000 0.851 459 D CB -0.095 40.831 40.800 0.210 0.000 0.943 459 D HN 0.736 nan 8.370 nan 0.000 0.488 460 E N 1.152 121.503 120.200 0.253 0.000 2.418 460 E HA -0.119 4.228 4.350 -0.006 0.000 0.197 460 E C 1.673 178.333 176.600 0.100 0.000 1.026 460 E CA 0.476 56.910 56.400 0.056 0.000 0.862 460 E CB -0.319 29.383 29.700 0.003 0.000 0.799 460 E HN 0.488 nan 8.360 nan 0.000 0.518 461 I N -4.147 116.508 120.570 0.142 0.000 4.050 461 I HA 0.544 4.710 4.170 -0.006 0.000 0.327 461 I C 0.885 177.038 176.117 0.060 0.000 1.473 461 I CA -0.113 61.261 61.300 0.123 0.000 1.124 461 I CB 0.778 38.845 38.000 0.112 0.000 1.129 461 I HN -0.003 nan 8.210 nan 0.000 0.428 462 G N 2.261 111.101 108.800 0.066 0.000 2.212 462 G HA2 -0.236 3.720 3.960 -0.006 0.000 0.255 462 G HA3 -0.236 3.720 3.960 -0.006 0.000 0.255 462 G C -0.012 174.880 174.900 -0.014 0.000 1.062 462 G CA -0.054 45.067 45.100 0.035 0.000 0.815 462 G HN 0.401 nan 8.290 nan 0.000 0.497 463 M N 0.926 120.498 119.600 -0.047 0.000 2.240 463 M HA 0.433 4.909 4.480 -0.006 0.000 0.333 463 M C 1.247 177.504 176.300 -0.071 0.000 1.110 463 M CA 0.857 56.101 55.300 -0.092 0.000 1.173 463 M CB 0.742 33.235 32.600 -0.178 0.000 1.458 463 M HN 0.530 nan 8.290 nan 0.000 0.458 464 T N -0.625 113.886 114.554 -0.072 0.000 2.940 464 T HA 0.950 5.296 4.350 -0.006 0.000 0.288 464 T C -0.173 174.492 174.700 -0.058 0.000 1.045 464 T CA -0.524 61.542 62.100 -0.055 0.000 1.018 464 T CB 2.075 70.915 68.868 -0.046 0.000 1.151 464 T HN 1.009 nan 8.240 nan 0.000 0.529 465 G N -0.975 107.797 108.800 -0.045 0.000 2.318 465 G HA2 0.489 4.445 3.960 -0.006 0.000 0.302 465 G HA3 0.489 4.445 3.960 -0.006 0.000 0.302 465 G C -0.197 174.681 174.900 -0.035 0.000 1.633 465 G CA -0.295 44.780 45.100 -0.042 0.000 0.965 465 G HN 1.017 nan 8.290 nan 0.000 0.698 466 G N 0.007 108.787 108.800 -0.034 0.000 2.485 466 G HA2 0.467 4.424 3.960 -0.006 0.000 0.260 466 G HA3 0.467 4.424 3.960 -0.006 0.000 0.260 466 G C 0.420 175.299 174.900 -0.035 0.000 1.459 466 G CA -0.249 44.831 45.100 -0.033 0.000 1.060 466 G HN 0.720 nan 8.290 nan 0.000 0.546 467 N N -0.003 118.675 118.700 -0.036 0.000 2.381 467 N HA 0.059 4.795 4.740 -0.006 0.000 0.254 467 N C -0.044 175.437 175.510 -0.048 0.000 1.264 467 N CA -0.421 52.604 53.050 -0.043 0.000 0.942 467 N CB 0.712 39.174 38.487 -0.042 0.000 1.190 467 N HN 0.400 nan 8.380 nan 0.000 0.495 468 D N 0.610 120.973 120.400 -0.061 0.000 2.877 468 D HA -0.106 4.530 4.640 -0.006 0.000 0.220 468 D C -1.466 174.807 176.300 -0.045 0.000 1.089 468 D CA -0.368 53.593 54.000 -0.064 0.000 0.811 468 D CB 0.596 41.346 40.800 -0.084 0.000 1.162 468 D HN 0.366 nan 8.370 nan 0.000 0.513 469 P HA 0.031 nan 4.420 nan 0.000 0.251 469 P C 0.709 177.985 177.300 -0.039 0.000 1.223 469 P CA 0.231 63.312 63.100 -0.033 0.000 0.796 469 P CB 0.367 32.067 31.700 -0.000 0.000 1.068 470 E N 0.254 120.433 120.200 -0.034 0.000 2.171 470 E HA -0.172 4.174 4.350 -0.006 0.000 0.197 470 E C 1.778 178.353 176.600 -0.041 0.000 0.997 470 E CA 1.707 58.086 56.400 -0.037 0.000 0.810 470 E CB -0.471 29.209 29.700 -0.033 0.000 0.738 470 E HN 0.451 nan 8.360 nan 0.000 0.467 471 C N -0.226 119.056 119.300 -0.030 0.000 2.539 471 C HA 0.185 4.642 4.460 -0.006 0.000 0.271 471 C C 1.465 176.491 174.990 0.060 0.000 1.412 471 C CA -0.541 58.487 59.018 0.016 0.000 1.729 471 C CB -1.033 26.714 27.740 0.011 0.000 1.739 471 C HN 0.106 nan 8.230 nan 0.000 0.570 472 R N 0.942 121.428 120.500 -0.024 0.000 2.831 472 R HA 0.251 4.588 4.340 -0.006 0.000 0.337 472 R C 0.049 176.326 176.300 -0.039 0.000 1.200 472 R CA -0.155 55.919 56.100 -0.042 0.000 1.088 472 R CB 0.108 30.218 30.300 -0.316 0.000 1.397 472 R HN 0.582 nan 8.270 nan 0.000 0.581 473 K N 0.474 120.821 120.400 -0.088 0.000 2.276 473 K HA 0.124 4.440 4.320 -0.006 0.000 0.259 473 K C 0.109 176.569 176.600 -0.233 0.000 1.001 473 K CA -0.336 55.815 56.287 -0.227 0.000 0.927 473 K CB 0.740 33.114 32.500 -0.210 0.000 0.969 473 K HN 0.126 nan 8.250 nan 0.000 0.490 474 C N 2.301 121.255 119.300 -0.576 0.000 2.657 474 C HA 0.017 4.474 4.460 -0.006 0.000 0.420 474 C C 0.809 175.680 174.990 -0.200 0.000 1.323 474 C CA -0.649 57.981 59.018 -0.646 0.000 1.894 474 C CB -0.566 26.251 27.740 -1.538 0.000 2.681 474 C HN 0.717 nan 8.230 nan 0.000 0.613 475 M N 3.716 123.356 119.600 0.066 0.000 2.248 475 M HA 0.171 4.648 4.480 -0.006 0.000 0.345 475 M C -0.415 175.669 176.300 -0.360 0.000 1.243 475 M CA 0.533 55.742 55.300 -0.151 0.000 1.090 475 M CB 0.355 32.699 32.600 -0.426 0.000 1.683 475 M HN 0.490 nan 8.290 nan 0.000 0.450 476 V N 7.812 127.448 119.914 -0.463 0.000 2.368 476 V HA 0.072 4.188 4.120 -0.006 0.000 0.266 476 V C 0.004 175.791 176.094 -0.512 0.000 1.045 476 V CA 0.074 62.178 62.300 -0.326 0.000 0.899 476 V CB 0.028 31.735 31.823 -0.193 0.000 1.006 476 V HN 1.072 nan 8.190 nan 0.000 0.470 477 W N 0.791 122.039 121.300 -0.086 0.000 2.996 477 W HA 0.184 4.840 4.660 -0.006 0.000 0.270 477 W C 1.047 177.510 176.519 -0.092 0.000 1.280 477 W CA -0.429 56.814 57.345 -0.170 0.000 1.549 477 W CB 0.476 29.809 29.460 -0.212 0.000 1.079 477 W HN 0.464 nan 8.180 nan 0.000 0.629 478 D N 2.336 122.819 120.400 0.137 0.000 2.358 478 D HA 0.002 4.638 4.640 -0.006 0.000 0.258 478 D C -1.069 175.261 176.300 0.049 0.000 1.223 478 D CA -1.598 52.456 54.000 0.090 0.000 0.886 478 D CB 1.485 42.328 40.800 0.072 0.000 1.120 478 D HN -0.055 nan 8.370 nan 0.000 0.482 479 P HA -0.191 nan 4.420 nan 0.000 0.221 479 P C 1.637 178.946 177.300 0.016 0.000 1.145 479 P CA 0.771 63.886 63.100 0.025 0.000 0.795 479 P CB 0.154 31.868 31.700 0.024 0.000 0.775 480 M N -1.056 118.556 119.600 0.020 0.000 2.374 480 M HA -0.116 4.361 4.480 -0.006 0.000 0.264 480 M C 1.021 177.328 176.300 0.012 0.000 1.067 480 M CA 1.650 56.960 55.300 0.016 0.000 1.103 480 M CB -0.167 32.444 32.600 0.019 0.000 1.402 480 M HN -0.162 nan 8.290 nan 0.000 0.444 481 Q N 0.174 119.979 119.800 0.008 0.000 2.198 481 Q HA 0.238 4.574 4.340 -0.006 0.000 0.209 481 Q C -0.777 175.216 176.000 -0.012 0.000 0.848 481 Q CA 0.079 55.881 55.803 -0.002 0.000 0.974 481 Q CB 0.851 29.587 28.738 -0.005 0.000 1.115 481 Q HN 0.487 nan 8.270 nan 0.000 0.494 482 Q N 0.154 119.952 119.800 -0.004 0.000 2.274 482 Q HA 0.305 4.641 4.340 -0.006 0.000 0.260 482 Q C -0.592 175.422 176.000 0.022 0.000 0.974 482 Q CA -0.700 55.105 55.803 0.003 0.000 0.876 482 Q CB 1.257 29.997 28.738 0.004 0.000 1.297 482 Q HN 0.017 nan 8.270 nan 0.000 0.446 483 N N 2.580 121.305 118.700 0.041 0.000 2.439 483 N HA -0.005 4.731 4.740 -0.006 0.000 0.243 483 N C 0.320 175.877 175.510 0.078 0.000 1.088 483 N CA 0.041 53.120 53.050 0.049 0.000 0.940 483 N CB 0.614 39.130 38.487 0.048 0.000 1.180 483 N HN 0.452 nan 8.380 nan 0.000 0.505 484 K N 2.768 123.203 120.400 0.058 0.000 2.032 484 K HA -0.218 4.099 4.320 -0.006 0.000 0.209 484 K C 1.412 178.075 176.600 0.106 0.000 1.048 484 K CA 1.197 57.523 56.287 0.066 0.000 0.927 484 K CB -0.183 32.336 32.500 0.033 0.000 0.712 484 K HN 0.701 nan 8.250 nan 0.000 0.441 485 E N 0.903 121.151 120.200 0.079 0.000 2.058 485 E HA -0.216 4.130 4.350 -0.006 0.000 0.194 485 E C 2.053 178.715 176.600 0.104 0.000 0.997 485 E CA 1.048 57.497 56.400 0.082 0.000 0.801 485 E CB -0.099 29.633 29.700 0.053 0.000 0.746 485 E HN 0.102 nan 8.360 nan 0.000 0.450 486 L N 1.478 122.753 121.223 0.088 0.000 2.017 486 L HA -0.213 4.124 4.340 -0.006 0.000 0.208 486 L C 2.520 179.427 176.870 0.062 0.000 1.073 486 L CA 2.287 57.173 54.840 0.076 0.000 0.745 486 L CB -0.988 41.113 42.059 0.069 0.000 0.894 486 L HN 0.365 nan 8.230 nan 0.000 0.432 487 H N -0.749 118.320 119.070 -0.001 0.000 2.319 487 H HA -0.172 4.380 4.556 -0.006 0.000 0.297 487 H C 1.951 177.257 175.328 -0.036 0.000 1.097 487 H CA 2.055 58.089 56.048 -0.023 0.000 1.285 487 H CB 0.203 29.988 29.762 0.039 0.000 1.368 487 H HN 0.436 nan 8.280 nan 0.000 0.495 488 Q N -0.244 119.675 119.800 0.197 0.000 2.167 488 Q HA -0.137 4.200 4.340 -0.006 0.000 0.202 488 Q C 2.322 178.349 176.000 0.045 0.000 0.970 488 Q CA 1.355 57.234 55.803 0.127 0.000 0.855 488 Q CB -0.654 28.168 28.738 0.141 0.000 0.911 488 Q HN 0.687 nan 8.270 nan 0.000 0.438 489 H N 0.510 119.557 119.070 -0.039 0.000 2.321 489 H HA -0.072 4.481 4.556 -0.006 0.000 0.300 489 H C 1.895 177.133 175.328 -0.151 0.000 1.087 489 H CA 1.791 57.811 56.048 -0.047 0.000 1.319 489 H CB 0.010 29.757 29.762 -0.025 0.000 1.379 489 H HN -0.026 nan 8.280 nan 0.000 0.501 490 V N 0.873 120.584 119.914 -0.338 0.000 2.358 490 V HA -0.221 3.896 4.120 -0.006 0.000 0.246 490 V C 2.546 178.425 176.094 -0.358 0.000 1.047 490 V CA 2.157 64.147 62.300 -0.516 0.000 1.035 490 V CB -0.582 30.808 31.823 -0.720 0.000 0.658 490 V HN 0.441 nan 8.190 nan 0.000 0.452 491 K N 0.087 120.294 120.400 -0.321 0.000 2.057 491 K HA -0.280 4.036 4.320 -0.006 0.000 0.207 491 K C 2.317 178.830 176.600 -0.145 0.000 1.049 491 K CA 2.055 58.203 56.287 -0.232 0.000 0.931 491 K CB -0.187 32.199 32.500 -0.190 0.000 0.714 491 K HN 0.554 nan 8.250 nan 0.000 0.440 492 Q N 0.560 120.287 119.800 -0.122 0.000 2.084 492 Q HA -0.157 4.179 4.340 -0.006 0.000 0.202 492 Q C 2.119 178.061 176.000 -0.097 0.000 0.978 492 Q CA 1.408 57.166 55.803 -0.075 0.000 0.844 492 Q CB -0.037 28.682 28.738 -0.031 0.000 0.898 492 Q HN 0.402 nan 8.270 nan 0.000 0.426 493 L N 0.219 121.331 121.223 -0.185 0.000 2.093 493 L HA -0.150 4.186 4.340 -0.006 0.000 0.208 493 L C 2.384 179.199 176.870 -0.091 0.000 1.085 493 L CA 0.751 55.494 54.840 -0.162 0.000 0.755 493 L CB -0.258 41.639 42.059 -0.270 0.000 0.904 493 L HN 0.314 nan 8.230 nan 0.000 0.435 494 I N -0.210 120.297 120.570 -0.105 0.000 2.394 494 I HA -0.261 3.906 4.170 -0.006 0.000 0.251 494 I C 2.760 178.851 176.117 -0.043 0.000 1.136 494 I CA 1.002 62.261 61.300 -0.068 0.000 1.425 494 I CB -0.408 37.539 38.000 -0.088 0.000 1.079 494 I HN 0.200 nan 8.210 nan 0.000 0.425 495 A N 1.059 123.853 122.820 -0.044 0.000 1.877 495 A HA -0.144 4.172 4.320 -0.006 0.000 0.216 495 A C 2.296 179.896 177.584 0.027 0.000 1.186 495 A CA 1.302 53.329 52.037 -0.016 0.000 0.620 495 A CB -0.770 18.221 19.000 -0.014 0.000 0.822 495 A HN 0.355 nan 8.150 nan 0.000 0.443 496 L N -1.132 120.118 121.223 0.044 0.000 2.046 496 L HA -0.179 4.157 4.340 -0.006 0.000 0.208 496 L C 2.806 179.771 176.870 0.157 0.000 1.077 496 L CA 1.713 56.632 54.840 0.130 0.000 0.747 496 L CB -0.482 41.615 42.059 0.063 0.000 0.896 496 L HN 0.467 nan 8.230 nan 0.000 0.432 497 R N 0.848 121.388 120.500 0.066 0.000 2.105 497 R HA -0.240 4.096 4.340 -0.006 0.000 0.239 497 R C 2.343 178.671 176.300 0.045 0.000 1.135 497 R CA 1.843 57.975 56.100 0.055 0.000 0.967 497 R CB -0.112 30.197 30.300 0.015 0.000 0.861 497 R HN 0.225 nan 8.270 nan 0.000 0.442 498 K N 0.118 120.530 120.400 0.019 0.000 2.211 498 K HA -0.187 4.129 4.320 -0.006 0.000 0.203 498 K C 2.011 178.593 176.600 -0.030 0.000 1.050 498 K CA 1.483 57.763 56.287 -0.011 0.000 0.945 498 K CB 0.061 32.545 32.500 -0.026 0.000 0.732 498 K HN 0.264 nan 8.250 nan 0.000 0.451 499 Q N -0.674 119.116 119.800 -0.016 0.000 2.302 499 Q HA -0.038 4.298 4.340 -0.006 0.000 0.202 499 Q C -0.578 175.196 176.000 -0.377 0.000 0.936 499 Q CA 0.545 56.247 55.803 -0.169 0.000 0.886 499 Q CB 0.367 29.018 28.738 -0.145 0.000 0.986 499 Q HN 0.230 nan 8.270 nan 0.000 0.487 500 Y N 0.098 120.384 120.300 -0.024 0.000 2.388 500 Y HA 0.307 4.853 4.550 -0.006 0.000 0.328 500 Y C 0.690 176.572 175.900 -0.031 0.000 0.963 500 Y CA -0.752 57.333 58.100 -0.026 0.000 1.240 500 Y CB 1.097 39.543 38.460 -0.024 0.000 1.118 500 Y HN -0.028 nan 8.280 nan 0.000 0.484 501 R N 0.911 121.435 120.500 0.039 0.000 2.139 501 R HA -0.195 4.141 4.340 -0.006 0.000 0.243 501 R C 1.986 178.300 176.300 0.022 0.000 1.145 501 R CA 1.972 58.081 56.100 0.015 0.000 0.976 501 R CB 0.063 30.357 30.300 -0.009 0.000 0.866 501 R HN 0.777 nan 8.270 nan 0.000 0.449 502 S N 0.104 115.831 115.700 0.046 0.000 2.419 502 S HA -0.117 4.349 4.470 -0.006 0.000 0.233 502 S C 1.950 176.543 174.600 -0.012 0.000 1.016 502 S CA 0.971 59.178 58.200 0.010 0.000 0.974 502 S CB -0.344 62.868 63.200 0.019 0.000 0.786 502 S HN 0.353 nan 8.310 nan 0.000 0.492 503 L N 1.446 122.682 121.223 0.022 0.000 2.109 503 L HA 0.000 4.336 4.340 -0.006 0.000 0.207 503 L C 2.970 179.821 176.870 -0.031 0.000 1.086 503 L CA 1.488 56.328 54.840 0.001 0.000 0.760 503 L CB -0.447 41.634 42.059 0.036 0.000 0.910 503 L HN 0.498 nan 8.230 nan 0.000 0.437 504 R N -0.261 120.225 120.500 -0.022 0.000 2.237 504 R HA 0.099 4.435 4.340 -0.006 0.000 0.195 504 R C 1.501 177.764 176.300 -0.061 0.000 0.956 504 R CA 0.194 56.270 56.100 -0.040 0.000 1.029 504 R CB 0.093 30.379 30.300 -0.023 0.000 0.972 504 R HN 0.233 nan 8.270 nan 0.000 0.493 505 R N 0.722 121.188 120.500 -0.055 0.000 2.541 505 R HA 0.223 4.560 4.340 -0.006 0.000 0.332 505 R C 0.404 176.663 176.300 -0.069 0.000 0.951 505 R CA 0.132 56.200 56.100 -0.053 0.000 1.136 505 R CB 1.637 31.926 30.300 -0.018 0.000 1.449 505 R HN 0.159 nan 8.270 nan 0.000 0.531 506 G N 1.164 109.911 108.800 -0.089 0.000 2.588 506 G HA2 0.104 4.060 3.960 -0.006 0.000 0.281 506 G HA3 0.104 4.060 3.960 -0.006 0.000 0.281 506 G C -0.689 174.112 174.900 -0.164 0.000 1.236 506 G CA -0.352 44.686 45.100 -0.102 0.000 0.969 506 G HN 0.112 nan 8.290 nan 0.000 0.504 507 E N -1.243 118.860 120.200 -0.163 0.000 2.319 507 E HA 0.466 4.813 4.350 -0.006 0.000 0.268 507 E C -0.773 175.709 176.600 -0.197 0.000 1.050 507 E CA -0.664 55.612 56.400 -0.207 0.000 0.878 507 E CB 1.279 30.857 29.700 -0.205 0.000 1.066 507 E HN 0.328 nan 8.360 nan 0.000 0.406 508 I N 2.250 122.685 120.570 -0.227 0.000 2.569 508 I HA 0.380 4.546 4.170 -0.006 0.000 0.296 508 I C -1.338 174.676 176.117 -0.172 0.000 1.028 508 I CA -0.402 60.767 61.300 -0.219 0.000 1.082 508 I CB 1.611 39.420 38.000 -0.318 0.000 1.264 508 I HN 0.664 nan 8.210 nan 0.000 0.429 509 S N 5.433 121.020 115.700 -0.188 0.000 2.548 509 S HA 0.589 5.055 4.470 -0.006 0.000 0.276 509 S C -1.129 173.364 174.600 -0.180 0.000 1.129 509 S CA -0.670 57.471 58.200 -0.097 0.000 0.931 509 S CB 1.190 64.365 63.200 -0.042 0.000 1.068 509 S HN 0.394 nan 8.310 nan 0.000 0.480 510 F N 1.790 121.751 119.950 0.018 0.000 2.408 510 F HA 0.560 5.084 4.527 -0.006 0.000 0.344 510 F C -0.363 175.282 175.800 -0.258 0.000 1.112 510 F CA -0.881 57.109 58.000 -0.015 0.000 1.096 510 F CB 1.200 40.191 39.000 -0.014 0.000 1.129 510 F HN 0.383 nan 8.300 nan 0.000 0.486 511 L N 4.603 125.827 121.223 0.000 0.000 2.264 511 L HA 0.303 4.639 4.340 -0.006 0.000 0.289 511 L C -0.155 176.672 176.870 -0.071 0.000 1.044 511 L CA -0.551 54.231 54.840 -0.096 0.000 0.807 511 L CB 0.272 42.346 42.059 0.025 0.000 1.192 511 L HN 0.427 nan 8.230 nan 0.000 0.425 512 H N 2.947 122.112 119.070 0.158 0.000 2.800 512 H HA 0.506 5.059 4.556 -0.006 0.000 0.291 512 H C 0.151 175.552 175.328 0.122 0.000 1.076 512 H CA -0.307 55.819 56.048 0.130 0.000 1.452 512 H CB 0.844 30.656 29.762 0.084 0.000 1.461 512 H HN 0.735 nan 8.280 nan 0.000 0.488 513 A N 3.442 126.410 122.820 0.247 0.000 2.257 513 A HA 0.105 4.421 4.320 -0.006 0.000 0.289 513 A C 1.381 179.061 177.584 0.159 0.000 1.095 513 A CA -0.332 51.832 52.037 0.212 0.000 0.836 513 A CB 0.566 19.736 19.000 0.285 0.000 1.111 513 A HN 0.799 nan 8.150 nan 0.000 0.497 514 D N 0.350 120.832 120.400 0.137 0.000 2.087 514 D HA -0.168 4.468 4.640 -0.006 0.000 0.192 514 D C -0.408 175.908 176.300 0.025 0.000 0.993 514 D CA 1.381 55.429 54.000 0.080 0.000 0.828 514 D CB -0.576 40.273 40.800 0.081 0.000 0.968 514 D HN 0.480 nan 8.370 nan 0.000 0.448 515 D N 1.399 121.785 120.400 -0.022 0.000 2.619 515 D HA 0.046 4.683 4.640 -0.006 0.000 0.224 515 D C -0.044 176.143 176.300 -0.188 0.000 1.133 515 D CA 0.006 53.891 54.000 -0.193 0.000 1.017 515 D CB 0.140 40.659 40.800 -0.470 0.000 1.077 515 D HN 0.430 nan 8.370 nan 0.000 0.503 516 E N 1.061 121.234 120.200 -0.045 0.000 2.528 516 E HA -0.055 4.291 4.350 -0.006 0.000 0.237 516 E C 1.085 177.680 176.600 -0.008 0.000 1.408 516 E CA -0.016 56.397 56.400 0.021 0.000 1.571 516 E CB 0.188 29.920 29.700 0.054 0.000 1.395 516 E HN 0.206 nan 8.360 nan 0.000 0.438 517 M N -0.051 119.510 119.600 -0.065 0.000 2.858 517 M HA 0.164 4.641 4.480 -0.006 0.000 0.255 517 M C 0.667 176.993 176.300 0.044 0.000 1.336 517 M CA 1.208 56.490 55.300 -0.030 0.000 1.220 517 M CB 0.519 33.069 32.600 -0.083 0.000 1.252 517 M HN 0.002 nan 8.290 nan 0.000 0.538 518 N N -1.411 117.271 118.700 -0.031 0.000 2.257 518 N HA 0.140 4.877 4.740 -0.006 0.000 0.200 518 N C -0.723 175.021 175.510 0.390 0.000 1.163 518 N CA 0.129 53.248 53.050 0.115 0.000 0.891 518 N CB 0.359 38.858 38.487 0.020 0.000 1.067 518 N HN 0.385 nan 8.380 nan 0.000 0.497 519 Y N 1.291 121.700 120.300 0.181 0.000 2.350 519 Y HA 0.346 4.892 4.550 -0.006 0.000 0.340 519 Y C -0.104 175.953 175.900 0.262 0.000 1.006 519 Y CA -1.069 57.154 58.100 0.205 0.000 1.166 519 Y CB 1.185 39.735 38.460 0.149 0.000 1.168 519 Y HN -0.136 nan 8.280 nan 0.000 0.502 520 L N 6.239 127.762 121.223 0.500 0.000 2.305 520 L HA 0.588 4.924 4.340 -0.006 0.000 0.284 520 L C -1.068 176.089 176.870 0.479 0.000 1.013 520 L CA -0.588 54.542 54.840 0.483 0.000 0.819 520 L CB 0.853 43.244 42.059 0.552 0.000 1.227 520 L HN 0.485 nan 8.230 nan 0.000 0.417 521 I N 6.633 127.469 120.570 0.443 0.000 2.447 521 I HA 0.455 4.621 4.170 -0.006 0.000 0.287 521 I C -1.209 175.112 176.117 0.340 0.000 1.023 521 I CA -0.689 60.794 61.300 0.305 0.000 1.083 521 I CB 1.508 39.631 38.000 0.205 0.000 1.245 521 I HN 0.676 nan 8.210 nan 0.000 0.434 522 Y N 4.688 125.055 120.300 0.112 0.000 2.625 522 Y HA 0.776 5.322 4.550 -0.006 0.000 0.338 522 Y C -1.501 174.356 175.900 -0.071 0.000 1.123 522 Y CA -1.388 56.660 58.100 -0.086 0.000 1.046 522 Y CB 1.464 39.718 38.460 -0.343 0.000 1.299 522 Y HN 0.522 nan 8.280 nan 0.000 0.464 523 K N 0.839 121.245 120.400 0.010 0.000 2.477 523 K HA 0.668 4.984 4.320 -0.006 0.000 0.255 523 K C -1.673 174.923 176.600 -0.006 0.000 0.952 523 K CA -1.258 55.003 56.287 -0.044 0.000 0.826 523 K CB 2.489 34.963 32.500 -0.043 0.000 1.331 523 K HN 0.420 nan 8.250 nan 0.000 0.437 524 K N 1.646 122.031 120.400 -0.025 0.000 2.244 524 K HA 0.423 4.739 4.320 -0.006 0.000 0.260 524 K C -0.985 175.588 176.600 -0.046 0.000 0.951 524 K CA -0.681 55.580 56.287 -0.044 0.000 0.826 524 K CB 2.031 34.511 32.500 -0.034 0.000 1.108 524 K HN 0.791 nan 8.250 nan 0.000 0.433 525 T N 1.245 115.764 114.554 -0.060 0.000 2.886 525 T HA 0.328 4.674 4.350 -0.006 0.000 0.292 525 T C -1.282 173.388 174.700 -0.049 0.000 1.012 525 T CA -0.680 61.394 62.100 -0.043 0.000 0.982 525 T CB 1.599 70.442 68.868 -0.041 0.000 1.018 525 T HN 0.448 nan 8.240 nan 0.000 0.451 526 D N 1.251 121.634 120.400 -0.029 0.000 2.323 526 D HA 0.522 5.159 4.640 -0.006 0.000 0.242 526 D C 0.746 177.036 176.300 -0.017 0.000 1.347 526 D CA 0.858 54.843 54.000 -0.026 0.000 0.988 526 D CB 0.178 40.968 40.800 -0.016 0.000 1.314 526 D HN 0.855 nan 8.370 nan 0.000 0.564 527 G N 3.738 112.525 108.800 -0.022 0.000 2.550 527 G HA2 -0.338 3.618 3.960 -0.006 0.000 0.277 527 G HA3 -0.338 3.618 3.960 -0.006 0.000 0.277 527 G C 0.685 175.577 174.900 -0.013 0.000 1.190 527 G CA 0.321 45.410 45.100 -0.019 0.000 0.971 527 G HN 0.494 nan 8.290 nan 0.000 0.559 528 D N 1.475 121.867 120.400 -0.015 0.000 2.347 528 D HA 0.125 4.761 4.640 -0.006 0.000 0.215 528 D C 1.324 177.629 176.300 0.007 0.000 0.976 528 D CA 1.031 55.035 54.000 0.007 0.000 0.884 528 D CB 0.063 40.849 40.800 -0.025 0.000 0.915 528 D HN 0.638 nan 8.370 nan 0.000 0.526 529 E N 0.564 120.758 120.200 -0.009 0.000 2.344 529 E HA 0.138 4.484 4.350 -0.006 0.000 0.270 529 E C -0.794 175.809 176.600 0.005 0.000 1.021 529 E CA 0.307 56.708 56.400 0.001 0.000 0.887 529 E CB 0.503 30.220 29.700 0.029 0.000 0.997 529 E HN -0.187 nan 8.360 nan 0.000 0.429 530 T N 3.522 118.069 114.554 -0.012 0.000 2.971 530 T HA 0.350 4.697 4.350 -0.006 0.000 0.304 530 T C -1.213 173.457 174.700 -0.050 0.000 1.038 530 T CA -0.630 61.455 62.100 -0.024 0.000 1.007 530 T CB 1.557 70.415 68.868 -0.016 0.000 1.055 530 T HN 0.267 nan 8.240 nan 0.000 0.451 531 V N 3.862 123.738 119.914 -0.063 0.000 2.444 531 V HA 0.525 4.642 4.120 -0.006 0.000 0.294 531 V C -0.650 175.380 176.094 -0.106 0.000 1.022 531 V CA -0.824 61.410 62.300 -0.109 0.000 0.850 531 V CB 1.557 33.291 31.823 -0.147 0.000 0.992 531 V HN 0.723 nan 8.190 nan 0.000 0.426 532 L N 7.119 128.294 121.223 -0.079 0.000 2.289 532 L HA 0.726 5.062 4.340 -0.006 0.000 0.285 532 L C -0.482 176.296 176.870 -0.154 0.000 1.049 532 L CA 0.212 55.005 54.840 -0.079 0.000 0.804 532 L CB 1.628 43.712 42.059 0.043 0.000 1.195 532 L HN 0.437 nan 8.230 nan 0.000 0.428 533 V N 6.666 126.374 119.914 -0.344 0.000 2.540 533 V HA 0.518 4.634 4.120 -0.006 0.000 0.302 533 V C -0.138 175.826 176.094 -0.217 0.000 1.035 533 V CA -0.463 61.600 62.300 -0.395 0.000 0.873 533 V CB 1.687 33.005 31.823 -0.843 0.000 0.992 533 V HN 0.609 nan 8.190 nan 0.000 0.428 534 I N 5.804 126.358 120.570 -0.025 0.000 2.418 534 I HA 0.535 4.701 4.170 -0.006 0.000 0.287 534 I C -0.831 175.397 176.117 0.185 0.000 1.008 534 I CA -0.301 61.054 61.300 0.092 0.000 1.104 534 I CB 1.831 39.881 38.000 0.082 0.000 1.264 534 I HN 0.421 nan 8.210 nan 0.000 0.438 535 I N 5.193 125.937 120.570 0.289 0.000 2.465 535 I HA 0.269 4.435 4.170 -0.006 0.000 0.291 535 I C -0.330 175.972 176.117 0.308 0.000 1.014 535 I CA -0.638 60.884 61.300 0.369 0.000 1.093 535 I CB 2.019 40.351 38.000 0.553 0.000 1.267 535 I HN 0.495 nan 8.210 nan 0.000 0.431 536 N N 6.074 124.907 118.700 0.222 0.000 2.678 536 N HA 0.121 4.857 4.740 -0.006 0.000 0.231 536 N C -0.225 175.378 175.510 0.154 0.000 1.038 536 N CA -0.385 52.745 53.050 0.133 0.000 0.932 536 N CB 0.554 39.026 38.487 -0.025 0.000 1.176 536 N HN 0.443 nan 8.380 nan 0.000 0.511 537 R N 2.791 123.427 120.500 0.226 0.000 3.701 537 R HA 0.173 4.510 4.340 -0.006 0.000 0.210 537 R C -0.953 175.286 176.300 -0.101 0.000 1.598 537 R CA 0.007 56.172 56.100 0.109 0.000 1.427 537 R CB -0.676 29.608 30.300 -0.027 0.000 1.339 537 R HN 0.689 nan 8.270 nan 0.000 0.720 538 S N -0.453 114.979 115.700 -0.446 0.000 2.570 538 S HA 0.128 4.594 4.470 -0.006 0.000 0.270 538 S C -0.479 173.602 174.600 -0.864 0.000 1.149 538 S CA -0.998 56.936 58.200 -0.443 0.000 0.837 538 S CB 1.785 64.920 63.200 -0.108 0.000 1.124 538 S HN 0.257 nan 8.310 nan 0.000 0.465 539 D N 1.519 121.619 120.400 -0.500 0.000 2.690 539 D HA 0.207 4.844 4.640 -0.006 0.000 0.236 539 D C -0.003 176.214 176.300 -0.139 0.000 1.218 539 D CA 0.149 53.965 54.000 -0.306 0.000 0.829 539 D CB -0.174 40.643 40.800 0.029 0.000 1.009 539 D HN 0.680 nan 8.370 nan 0.000 0.482 540 Q N -1.290 118.419 119.800 -0.151 0.000 2.482 540 Q HA 0.360 4.696 4.340 -0.006 0.000 0.286 540 Q C -0.789 175.179 176.000 -0.052 0.000 1.007 540 Q CA -1.086 54.679 55.803 -0.063 0.000 0.801 540 Q CB 1.426 30.146 28.738 -0.030 0.000 1.455 540 Q HN -0.255 nan 8.270 nan 0.000 0.398 541 K N 0.240 120.622 120.400 -0.029 0.000 2.440 541 K HA 0.493 4.809 4.320 -0.006 0.000 0.270 541 K C -0.741 175.850 176.600 -0.015 0.000 0.980 541 K CA 0.632 56.902 56.287 -0.028 0.000 0.953 541 K CB 0.639 33.126 32.500 -0.021 0.000 0.925 541 K HN 0.650 nan 8.250 nan 0.000 0.497 542 A N 2.349 125.142 122.820 -0.045 0.000 2.547 542 A HA 0.329 4.646 4.320 -0.006 0.000 0.297 542 A C -1.728 175.785 177.584 -0.118 0.000 1.056 542 A CA -0.948 51.053 52.037 -0.061 0.000 0.688 542 A CB 1.323 20.239 19.000 -0.139 0.000 1.282 542 A HN 0.605 nan 8.150 nan 0.000 0.400 543 D N 1.997 122.349 120.400 -0.080 0.000 2.441 543 D HA 0.492 5.128 4.640 -0.006 0.000 0.231 543 D C -0.603 175.641 176.300 -0.093 0.000 1.073 543 D CA 0.344 54.302 54.000 -0.071 0.000 0.850 543 D CB 1.022 41.811 40.800 -0.018 0.000 1.062 543 D HN 0.436 nan 8.370 nan 0.000 0.524 544 I N 3.167 123.646 120.570 -0.152 0.000 2.354 544 I HA 0.266 4.432 4.170 -0.006 0.000 0.292 544 I C -2.265 173.845 176.117 -0.011 0.000 0.989 544 I CA -2.207 59.016 61.300 -0.128 0.000 1.188 544 I CB 1.814 39.657 38.000 -0.262 0.000 1.342 544 I HN -0.086 nan 8.210 nan 0.000 0.457 545 P HA 0.225 nan 4.420 nan 0.000 0.276 545 P C -0.470 176.865 177.300 0.059 0.000 1.253 545 P CA -0.055 63.074 63.100 0.048 0.000 0.766 545 P CB 0.390 32.127 31.700 0.061 0.000 0.845 546 I N 6.926 127.525 120.570 0.049 0.000 2.347 546 I HA 0.098 4.264 4.170 -0.006 0.000 0.294 546 I C -1.310 174.833 176.117 0.042 0.000 1.090 546 I CA -1.866 59.467 61.300 0.055 0.000 1.314 546 I CB 1.043 39.067 38.000 0.040 0.000 1.423 546 I HN 0.259 nan 8.210 nan 0.000 0.503 547 P HA -0.190 nan 4.420 nan 0.000 0.216 547 P C 0.657 177.979 177.300 0.036 0.000 1.150 547 P CA 0.722 63.851 63.100 0.048 0.000 0.843 547 P CB 0.087 31.822 31.700 0.057 0.000 0.787 548 L N 0.252 121.494 121.223 0.031 0.000 2.613 548 L HA -0.106 4.230 4.340 -0.006 0.000 0.304 548 L C -0.021 176.862 176.870 0.022 0.000 1.266 548 L CA 0.921 55.777 54.840 0.027 0.000 0.868 548 L CB -0.346 41.719 42.059 0.009 0.000 1.111 548 L HN -0.092 nan 8.230 nan 0.000 0.515 549 D N 2.622 123.043 120.400 0.034 0.000 2.277 549 D HA 0.525 5.162 4.640 -0.006 0.000 0.250 549 D C 0.312 176.629 176.300 0.028 0.000 1.032 549 D CA 0.392 54.410 54.000 0.030 0.000 0.947 549 D CB 1.430 42.252 40.800 0.036 0.000 1.159 549 D HN 0.682 nan 8.370 nan 0.000 0.460 550 A N 1.363 124.192 122.820 0.015 0.000 2.307 550 A HA 0.010 4.326 4.320 -0.006 0.000 0.218 550 A C 0.439 178.046 177.584 0.038 0.000 1.228 550 A CA -0.126 51.913 52.037 0.003 0.000 0.857 550 A CB -0.078 18.909 19.000 -0.023 0.000 0.897 550 A HN 0.240 nan 8.150 nan 0.000 0.495 551 R N 0.624 121.160 120.500 0.060 0.000 2.903 551 R HA 0.055 4.391 4.340 -0.006 0.000 0.315 551 R C 1.114 177.494 176.300 0.133 0.000 1.219 551 R CA 0.453 56.601 56.100 0.081 0.000 0.977 551 R CB -1.694 28.646 30.300 0.066 0.000 1.042 551 R HN 0.758 nan 8.270 nan 0.000 0.466 552 G N 2.474 111.364 108.800 0.150 0.000 2.258 552 G HA2 -0.314 3.643 3.960 -0.006 0.000 0.274 552 G HA3 -0.314 3.643 3.960 -0.006 0.000 0.274 552 G C 0.055 175.158 174.900 0.338 0.000 1.021 552 G CA 0.875 46.126 45.100 0.252 0.000 0.798 552 G HN 0.503 nan 8.290 nan 0.000 0.507 553 T N -0.520 114.162 114.554 0.214 0.000 2.875 553 T HA 0.549 4.895 4.350 -0.006 0.000 0.284 553 T C -0.452 174.307 174.700 0.098 0.000 0.995 553 T CA -0.099 62.101 62.100 0.168 0.000 1.060 553 T CB 1.326 70.228 68.868 0.057 0.000 0.967 553 T HN 0.325 nan 8.240 nan 0.000 0.476 554 W N 2.099 123.387 121.300 -0.020 0.000 2.819 554 W HA 0.669 5.325 4.660 -0.006 0.000 0.337 554 W C -1.322 175.041 176.519 -0.260 0.000 1.077 554 W CA -0.768 56.530 57.345 -0.079 0.000 1.226 554 W CB 1.189 30.705 29.460 0.094 0.000 1.419 554 W HN 0.344 nan 8.180 nan 0.000 0.502 555 L N 2.920 123.906 121.223 -0.394 0.000 2.346 555 L HA 0.727 5.063 4.340 -0.006 0.000 0.274 555 L C -0.491 176.087 176.870 -0.487 0.000 1.007 555 L CA -1.057 53.423 54.840 -0.601 0.000 0.818 555 L CB 1.658 43.004 42.059 -1.187 0.000 1.284 555 L HN 0.053 nan 8.230 nan 0.000 0.424 556 V N 1.690 121.516 119.914 -0.146 0.000 2.443 556 V HA 0.319 4.436 4.120 -0.006 0.000 0.293 556 V C -0.150 176.034 176.094 0.151 0.000 1.021 556 V CA -0.848 61.465 62.300 0.021 0.000 0.848 556 V CB 1.526 33.395 31.823 0.076 0.000 0.998 556 V HN 0.778 nan 8.190 nan 0.000 0.424 557 N N 3.970 122.817 118.700 0.245 0.000 2.416 557 N HA 0.197 4.934 4.740 -0.006 0.000 0.265 557 N C 1.017 176.564 175.510 0.062 0.000 1.195 557 N CA -0.333 52.840 53.050 0.206 0.000 0.943 557 N CB 0.634 39.283 38.487 0.269 0.000 1.115 557 N HN 0.708 nan 8.380 nan 0.000 0.481 558 L N 3.410 124.610 121.223 -0.039 0.000 2.362 558 L HA -0.121 4.216 4.340 -0.006 0.000 0.219 558 L C 1.610 178.478 176.870 -0.003 0.000 1.134 558 L CA 0.603 55.411 54.840 -0.053 0.000 0.807 558 L CB -0.214 41.733 42.059 -0.186 0.000 0.927 558 L HN 0.719 nan 8.230 nan 0.000 0.447 559 L N -0.667 120.553 121.223 -0.006 0.000 2.127 559 L HA -0.081 4.255 4.340 -0.006 0.000 0.203 559 L C 2.597 179.487 176.870 0.034 0.000 1.080 559 L CA 1.675 56.528 54.840 0.021 0.000 0.768 559 L CB -0.518 41.541 42.059 0.000 0.000 0.924 559 L HN 0.368 nan 8.230 nan 0.000 0.444 560 T N -4.796 109.783 114.554 0.041 0.000 3.015 560 T HA 0.245 4.591 4.350 -0.006 0.000 0.250 560 T C 1.486 176.231 174.700 0.075 0.000 1.057 560 T CA 0.556 62.689 62.100 0.056 0.000 1.066 560 T CB 0.819 69.724 68.868 0.061 0.000 0.959 560 T HN 0.398 nan 8.240 nan 0.000 0.488 561 G N 1.623 110.476 108.800 0.088 0.000 2.179 561 G HA2 -0.280 3.676 3.960 -0.006 0.000 0.260 561 G HA3 -0.280 3.676 3.960 -0.006 0.000 0.260 561 G C -0.133 174.841 174.900 0.125 0.000 0.977 561 G CA 0.278 45.439 45.100 0.101 0.000 0.641 561 G HN 0.939 nan 8.290 nan 0.000 0.533 562 E N 0.738 121.030 120.200 0.154 0.000 2.384 562 E HA 0.426 4.772 4.350 -0.006 0.000 0.266 562 E C 0.561 177.313 176.600 0.252 0.000 1.012 562 E CA -0.332 56.191 56.400 0.205 0.000 0.901 562 E CB 0.333 30.174 29.700 0.234 0.000 0.967 562 E HN 0.492 nan 8.360 nan 0.000 0.435 563 R N 3.149 123.808 120.500 0.265 0.000 2.732 563 R HA 0.583 4.919 4.340 -0.006 0.000 0.278 563 R C -0.956 175.594 176.300 0.415 0.000 0.976 563 R CA -0.697 55.570 56.100 0.277 0.000 0.963 563 R CB 1.148 31.627 30.300 0.298 0.000 1.150 563 R HN 0.524 nan 8.270 nan 0.000 0.478 564 F N -1.666 118.420 119.950 0.227 0.000 2.725 564 F HA 0.593 5.117 4.527 -0.006 0.000 0.311 564 F C -1.514 173.872 175.800 -0.689 0.000 1.121 564 F CA -1.444 56.457 58.000 -0.164 0.000 0.978 564 F CB 0.670 39.591 39.000 -0.132 0.000 1.274 564 F HN 0.580 nan 8.300 nan 0.000 0.440 565 A N 1.967 124.155 122.820 -1.054 0.000 2.388 565 A HA 0.771 5.087 4.320 -0.006 0.000 0.257 565 A C 0.277 177.617 177.584 -0.406 0.000 1.095 565 A CA -0.187 51.083 52.037 -1.278 0.000 0.791 565 A CB 0.107 18.364 19.000 -1.237 0.000 1.029 565 A HN 1.841 nan 8.150 nan 0.000 0.489 566 A N 2.076 124.688 122.820 -0.348 0.000 2.477 566 A HA 0.344 4.661 4.320 -0.006 0.000 0.246 566 A C 0.815 178.336 177.584 -0.105 0.000 1.078 566 A CA 0.078 52.035 52.037 -0.133 0.000 0.770 566 A CB -0.154 18.777 19.000 -0.115 0.000 1.011 566 A HN 0.960 nan 8.150 nan 0.000 0.494 567 E N 1.442 121.603 120.200 -0.064 0.000 2.223 567 E HA 0.064 4.410 4.350 -0.006 0.000 0.267 567 E C 1.479 178.052 176.600 -0.045 0.000 0.857 567 E CA 1.002 57.364 56.400 -0.063 0.000 1.467 567 E CB -0.048 29.616 29.700 -0.061 0.000 0.965 567 E HN 0.803 nan 8.360 nan 0.000 0.591 568 A N 0.617 123.418 122.820 -0.031 0.000 3.637 568 A HA 0.080 4.396 4.320 -0.006 0.000 0.192 568 A C 1.570 179.150 177.584 -0.007 0.000 1.783 568 A CA -0.170 51.857 52.037 -0.017 0.000 1.891 568 A CB -0.242 18.750 19.000 -0.013 0.000 1.430 568 A HN 0.211 nan 8.150 nan 0.000 0.460 569 E N -0.495 119.705 120.200 -0.000 0.000 2.170 569 E HA 0.053 4.399 4.350 -0.006 0.000 0.191 569 E C -0.060 176.545 176.600 0.010 0.000 0.981 569 E CA 1.198 57.602 56.400 0.008 0.000 0.830 569 E CB 0.100 29.808 29.700 0.013 0.000 0.775 569 E HN 0.434 nan 8.360 nan 0.000 0.470 570 T N 0.379 114.937 114.554 0.005 0.000 3.293 570 T HA 0.364 4.710 4.350 -0.006 0.000 0.320 570 T C -1.257 173.441 174.700 -0.002 0.000 0.995 570 T CA -0.511 61.594 62.100 0.008 0.000 1.041 570 T CB 0.508 69.389 68.868 0.021 0.000 1.058 570 T HN -0.006 nan 8.240 nan 0.000 0.453 571 L N 4.627 125.844 121.223 -0.009 0.000 2.350 571 L HA 0.682 5.018 4.340 -0.006 0.000 0.275 571 L C 0.118 176.981 176.870 -0.012 0.000 1.099 571 L CA -0.627 54.199 54.840 -0.024 0.000 0.808 571 L CB 0.749 42.788 42.059 -0.033 0.000 1.149 571 L HN 0.837 nan 8.230 nan 0.000 0.442 572 C N 3.369 122.655 119.300 -0.024 0.000 2.358 572 C HA 0.616 5.072 4.460 -0.006 0.000 0.342 572 C C 0.327 175.307 174.990 -0.017 0.000 1.234 572 C CA -0.247 58.763 59.018 -0.013 0.000 1.969 572 C CB 1.118 28.848 27.740 -0.017 0.000 2.346 572 C HN 0.838 nan 8.230 nan 0.000 0.525 573 T N 3.663 118.218 114.554 0.001 0.000 2.812 573 T HA 0.516 4.862 4.350 -0.006 0.000 0.282 573 T C -0.540 174.141 174.700 -0.032 0.000 0.990 573 T CA -0.171 61.937 62.100 0.012 0.000 0.960 573 T CB 0.755 69.683 68.868 0.099 0.000 0.948 573 T HN 0.750 nan 8.240 nan 0.000 0.438 574 S N 4.906 120.582 115.700 -0.040 0.000 2.438 574 S HA 0.628 5.094 4.470 -0.006 0.000 0.293 574 S C -0.561 174.000 174.600 -0.064 0.000 1.141 574 S CA -0.642 57.525 58.200 -0.056 0.000 1.080 574 S CB 0.261 63.432 63.200 -0.048 0.000 0.978 574 S HN 0.586 nan 8.310 nan 0.000 0.479 575 L N 5.146 126.321 121.223 -0.080 0.000 2.370 575 L HA 0.594 4.930 4.340 -0.006 0.000 0.266 575 L C -2.164 174.666 176.870 -0.066 0.000 1.002 575 L CA -2.385 52.406 54.840 -0.081 0.000 0.818 575 L CB 2.388 44.398 42.059 -0.082 0.000 1.325 575 L HN 0.386 nan 8.230 nan 0.000 0.418 576 P HA 0.281 nan 4.420 nan 0.000 0.279 576 P C -2.752 174.531 177.300 -0.027 0.000 1.282 576 P CA -1.987 61.092 63.100 -0.035 0.000 0.788 576 P CB -0.275 31.409 31.700 -0.027 0.000 1.139 577 P HA -0.036 nan 4.420 nan 0.000 0.262 577 P C -0.548 176.771 177.300 0.031 0.000 1.182 577 P CA 0.888 63.939 63.100 -0.083 0.000 0.761 577 P CB -0.643 31.050 31.700 -0.012 0.000 0.795 578 Y N -0.311 120.034 120.300 0.075 0.000 4.079 578 Y HA -0.233 4.313 4.550 -0.006 0.000 0.223 578 Y C 1.489 177.502 175.900 0.188 0.000 1.155 578 Y CA 1.126 59.293 58.100 0.112 0.000 1.805 578 Y CB -2.318 36.187 38.460 0.074 0.000 1.571 578 Y HN 0.468 nan 8.280 nan 0.000 0.654 579 G N -0.232 108.687 108.800 0.199 0.000 2.616 579 G HA2 0.531 4.487 3.960 -0.006 0.000 0.268 579 G HA3 0.531 4.487 3.960 -0.006 0.000 0.268 579 G C -0.519 174.546 174.900 0.274 0.000 1.213 579 G CA 0.104 45.288 45.100 0.139 0.000 0.926 579 G HN 0.532 nan 8.290 nan 0.000 0.523 580 F N -2.798 117.172 119.950 0.033 0.000 2.770 580 F HA 0.718 5.242 4.527 -0.006 0.000 0.313 580 F C -1.301 174.477 175.800 -0.036 0.000 1.154 580 F CA -1.465 56.552 58.000 0.029 0.000 0.923 580 F CB 1.487 40.536 39.000 0.081 0.000 1.301 580 F HN 0.690 nan 8.300 nan 0.000 0.449 581 V N 1.930 121.860 119.914 0.027 0.000 3.077 581 V HA 0.763 4.880 4.120 -0.006 0.000 0.299 581 V C -2.083 173.854 176.094 -0.262 0.000 1.276 581 V CA -0.746 61.421 62.300 -0.222 0.000 0.993 581 V CB 2.267 33.852 31.823 -0.398 0.000 1.076 581 V HN 0.853 nan 8.190 nan 0.000 0.434 582 L N 6.107 127.115 121.223 -0.358 0.000 2.365 582 L HA 0.687 5.023 4.340 -0.006 0.000 0.273 582 L C -1.232 175.367 176.870 -0.452 0.000 1.000 582 L CA -0.228 54.423 54.840 -0.315 0.000 0.819 582 L CB 1.899 43.861 42.059 -0.161 0.000 1.284 582 L HN 0.602 nan 8.230 nan 0.000 0.418 583 Y N 0.846 121.084 120.300 -0.103 0.000 2.406 583 Y HA 0.722 5.268 4.550 -0.006 0.000 0.340 583 Y C 0.127 175.920 175.900 -0.178 0.000 0.975 583 Y CA -1.198 56.829 58.100 -0.123 0.000 1.056 583 Y CB 2.147 40.551 38.460 -0.092 0.000 1.210 583 Y HN 0.673 nan 8.280 nan 0.000 0.448 584 A N 4.474 127.277 122.820 -0.029 0.000 2.366 584 A HA 0.617 4.933 4.320 -0.006 0.000 0.272 584 A C -0.679 176.865 177.584 -0.068 0.000 1.135 584 A CA -0.388 51.593 52.037 -0.093 0.000 0.804 584 A CB 0.142 19.105 19.000 -0.063 0.000 1.064 584 A HN 0.569 nan 8.150 nan 0.000 0.499 585 I N 2.515 123.017 120.570 -0.113 0.000 2.330 585 I HA 0.277 4.444 4.170 -0.006 0.000 0.289 585 I C 0.081 175.998 176.117 -0.333 0.000 1.001 585 I CA -0.068 61.104 61.300 -0.214 0.000 1.193 585 I CB 0.827 38.687 38.000 -0.234 0.000 1.345 585 I HN 0.709 nan 8.210 nan 0.000 0.461 586 E N 5.768 125.789 120.200 -0.297 0.000 2.166 586 E HA 0.377 4.724 4.350 -0.006 0.000 0.275 586 E C -0.797 175.495 176.600 -0.514 0.000 0.941 586 E CA -0.696 55.466 56.400 -0.395 0.000 0.784 586 E CB 1.743 31.359 29.700 -0.141 0.000 1.115 586 E HN 0.390 nan 8.360 nan 0.000 0.399 587 H N 2.635 121.463 119.070 -0.403 0.000 2.581 587 H HA 0.207 4.759 4.556 -0.006 0.000 0.308 587 H C -0.874 174.219 175.328 -0.391 0.000 1.040 587 H CA -0.467 55.428 56.048 -0.254 0.000 1.231 587 H CB 0.297 29.956 29.762 -0.171 0.000 1.396 587 H HN 0.511 nan 8.280 nan 0.000 0.467 588 W N 0.000 121.400 121.300 0.167 0.000 2.388 588 W HA 0.000 4.656 4.660 -0.006 0.000 0.303 588 W CA 0.000 57.404 57.345 0.099 0.000 1.226 588 W CB 0.000 29.494 29.460 0.057 0.000 1.126 588 W HN 0.000 nan 8.180 nan 0.000 0.535