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 1yq2_1_C DATA FIRST_RESID 4 DATA SEQUENCE ADVSYLTDQG PGSGRRVPAR SWLHSDAPAL SLNGDWRFRL LPAAPGTAGA DATA SEQUENCE GSVLPSGETV EGVAAESYDD AAWDTLPVPS HWVMGQDGKY GRPIYTNVQY DATA SEQUENCE PFPIDPPHVP DANPTGDFRR RFDVPAQWFE STTAALTLRF DGVESRYKVW DATA SEQUENCE VNGQEIGVGS GSRLAQEFDV SDALRAGSNL LVVRVHQWSA ASYLEDQDQW DATA SEQUENCE WLPGIFRDVT LQARPAGGIT DAWLRTGWSA RSGAGTGTID PEITADATAF DATA SEQUENCE PVTLSVPELG VNVTWKSAEE VAPLALENVE PWSAEVPRLY EASVSSAAES DATA SEQUENCE ISVRLGFRTV RIVGDQFLVN GRRVVFHGVN RHETHPDRGR VFDEAGARED DATA SEQUENCE LALMKRFNVN AIRTSHYPPH PRLLDLADEM GFWVILECDL ETHGFEAGGW DATA SEQUENCE VENPSDVPAW RDALVDRMER TVERDKNHPS IVMWSLGNES GTGSNLAAMA DATA SEQUENCE AWAHARDSSR PVHYEGDYTG AYTDVYSRMY SSIPETDSIG RNDSHALLLG DATA SEQUENCE CDSAESARQR TKPFILCEYV HAMGNGPGAM DQYEALVDKY PRLHGGFVWE DATA SEQUENCE WRDHGIRTRT AEGMEFFAYG GDFGEVVHDS NFVMDGMVLS DSTPTPGLYE DATA SEQUENCE FKQIVSPIRL GLSLPAGGKP TLAVANLRHT ADASDVVLRW RVEHDGAVAA DATA SEQUENCE SGEVAAEGSD GPLRAGESAT IALPAMPAAP LGETWLTVEA VLRDATGWAP DATA SEQUENCE AGHPLGAVQL DLSAPAVPTR SPRPATPLDG ALPVSLGPAT FDAGTLVSLA DATA SEQUENCE GQPVSGPRLE LWRAPTDNDR GAGFGAYGPG DPWLNSGRGV PAPSSEAVWK DATA SEQUENCE QAGLDRLTRR VEDVAALPDG IRVRTRYAAA DSTHSVAVEE NWQLDGGELC DATA SEQUENCE LRIDITPSAG WNLVWPRIGV RWDLPTDVDG AAWFGAGPRE SYPDSMHATM DATA SEQUENCE VARHAASLEE LNVPYARPQE TGHRSDVRWL ELDRAGAPWL RIDAEPDAAG DATA SEQUENCE RRPGFSLARH TAQEIAAAGH PHELPTPSHS YLYVDAAQHG LGSRACGPDV DATA SEQUENCE WPDFALRPEA RTLKLRISPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.650 177.584 0.110 0.000 1.274 4 A CA 0.000 52.096 52.037 0.098 0.000 0.836 4 A CB 0.000 19.073 19.000 0.122 0.000 0.831 5 D N 1.583 122.059 120.400 0.126 0.000 2.339 5 D HA 0.275 4.916 4.640 0.001 0.000 0.256 5 D C 0.189 176.615 176.300 0.210 0.000 1.214 5 D CA 0.626 54.704 54.000 0.130 0.000 0.877 5 D CB 1.676 42.543 40.800 0.112 0.000 1.111 5 D HN 0.424 nan 8.370 nan 0.000 0.478 6 V N 3.599 123.593 119.914 0.133 0.000 3.319 6 V HA -0.058 4.063 4.120 0.001 0.000 0.317 6 V C 1.894 177.902 176.094 -0.144 0.000 1.411 6 V CA 0.849 63.182 62.300 0.055 0.000 1.112 6 V CB -0.032 31.795 31.823 0.006 0.000 1.031 6 V HN 0.631 nan 8.190 nan 0.000 0.448 7 S N 0.320 116.008 115.700 -0.020 0.000 2.442 7 S HA -0.264 4.207 4.470 0.001 0.000 0.236 7 S C 1.905 176.454 174.600 -0.086 0.000 1.007 7 S CA 1.581 59.745 58.200 -0.061 0.000 0.965 7 S CB -0.801 62.391 63.200 -0.013 0.000 0.773 7 S HN 0.888 nan 8.310 nan 0.000 0.504 8 Y N 1.030 121.306 120.300 -0.040 0.000 2.365 8 Y HA 0.030 4.580 4.550 0.000 0.000 0.287 8 Y C 1.971 177.838 175.900 -0.055 0.000 1.162 8 Y CA 0.724 58.792 58.100 -0.053 0.000 1.260 8 Y CB -0.696 37.732 38.460 -0.053 0.000 0.976 8 Y HN 0.304 nan 8.280 nan 0.000 0.548 9 L N 1.393 122.170 121.223 -0.743 0.000 2.156 9 L HA -0.052 4.289 4.340 0.001 0.000 0.208 9 L C 2.105 178.830 176.870 -0.242 0.000 1.095 9 L CA 2.391 56.872 54.840 -0.597 0.000 0.770 9 L CB -0.888 40.731 42.059 -0.733 0.000 0.914 9 L HN 0.568 nan 8.230 nan 0.000 0.439 10 T N -4.646 109.786 114.554 -0.203 0.000 3.054 10 T HA 0.140 4.490 4.350 0.001 0.000 0.255 10 T C 0.544 175.139 174.700 -0.176 0.000 1.035 10 T CA -0.286 61.724 62.100 -0.151 0.000 0.941 10 T CB -0.574 68.198 68.868 -0.161 0.000 1.026 10 T HN 0.247 nan 8.240 nan 0.000 0.533 11 D N 1.695 122.011 120.400 -0.140 0.000 2.455 11 D HA 0.068 4.708 4.640 0.001 0.000 0.241 11 D C 0.952 177.120 176.300 -0.220 0.000 1.138 11 D CA 0.226 54.130 54.000 -0.159 0.000 0.877 11 D CB 0.796 41.549 40.800 -0.078 0.000 1.187 11 D HN 0.249 nan 8.370 nan 0.000 0.451 12 Q N 1.778 121.352 119.800 -0.377 0.000 2.360 12 Q HA 0.219 4.560 4.340 0.001 0.000 0.202 12 Q C 0.843 176.677 176.000 -0.277 0.000 0.915 12 Q CA -0.287 55.153 55.803 -0.604 0.000 0.943 12 Q CB 1.098 29.093 28.738 -1.238 0.000 1.064 12 Q HN 0.537 nan 8.270 nan 0.000 0.511 13 G N 1.357 110.059 108.800 -0.164 0.000 2.588 13 G HA2 0.146 4.106 3.960 0.001 0.000 0.281 13 G HA3 0.146 4.106 3.960 0.001 0.000 0.281 13 G C -1.781 173.098 174.900 -0.035 0.000 1.236 13 G CA -0.976 44.071 45.100 -0.090 0.000 0.969 13 G HN -0.017 nan 8.290 nan 0.000 0.504 14 P HA 0.194 nan 4.420 nan 0.000 0.233 14 P C 0.725 177.997 177.300 -0.047 0.000 1.167 14 P CA 1.196 64.272 63.100 -0.040 0.000 0.770 14 P CB 0.419 32.074 31.700 -0.075 0.000 0.837 15 G N -0.803 107.970 108.800 -0.045 0.000 2.361 15 G HA2 0.326 4.287 3.960 0.001 0.000 0.331 15 G HA3 0.326 4.287 3.960 0.001 0.000 0.331 15 G C -1.286 173.592 174.900 -0.036 0.000 1.324 15 G CA -0.132 44.938 45.100 -0.049 0.000 0.984 15 G HN 0.344 nan 8.290 nan 0.000 0.586 16 S N -1.395 114.295 115.700 -0.017 0.000 2.671 16 S HA 1.078 5.549 4.470 0.001 0.000 0.277 16 S C 0.611 175.234 174.600 0.038 0.000 1.165 16 S CA 0.562 58.756 58.200 -0.010 0.000 0.822 16 S CB 1.487 64.666 63.200 -0.035 0.000 1.150 16 S HN 3.083 nan 8.310 nan 0.000 0.479 17 G N 1.266 110.079 108.800 0.021 0.000 2.466 17 G HA2 -0.125 3.836 3.960 0.001 0.000 0.218 17 G HA3 -0.125 3.836 3.960 0.001 0.000 0.218 17 G C -0.830 174.128 174.900 0.096 0.000 1.237 17 G CA -0.493 44.630 45.100 0.037 0.000 0.954 17 G HN 0.910 nan 8.290 nan 0.000 0.580 18 R N 1.269 121.868 120.500 0.166 0.000 4.496 18 R HA 0.237 4.578 4.340 0.001 0.000 0.211 18 R C 0.562 176.985 176.300 0.206 0.000 1.738 18 R CA -0.164 56.035 56.100 0.166 0.000 1.528 18 R CB -0.054 30.338 30.300 0.154 0.000 1.414 18 R HN 0.324 nan 8.270 nan 0.000 0.812 19 R N 0.585 121.132 120.500 0.079 0.000 2.438 19 R HA 0.182 4.522 4.340 0.001 0.000 0.287 19 R C -0.035 176.210 176.300 -0.092 0.000 1.077 19 R CA -0.328 55.708 56.100 -0.107 0.000 1.034 19 R CB 1.128 31.344 30.300 -0.139 0.000 0.993 19 R HN 0.017 nan 8.270 nan 0.000 0.459 20 V N 5.207 125.035 119.914 -0.144 0.000 2.509 20 V HA 0.189 4.310 4.120 0.001 0.000 0.284 20 V C -1.809 174.224 176.094 -0.102 0.000 1.047 20 V CA -1.986 60.261 62.300 -0.087 0.000 0.952 20 V CB 1.310 33.089 31.823 -0.074 0.000 0.988 20 V HN 0.675 nan 8.190 nan 0.000 0.469 21 P HA 0.121 nan 4.420 nan 0.000 0.265 21 P C -0.234 177.024 177.300 -0.071 0.000 1.187 21 P CA 0.076 63.138 63.100 -0.063 0.000 0.766 21 P CB 0.309 31.991 31.700 -0.031 0.000 0.820 22 A N 3.988 126.757 122.820 -0.084 0.000 2.540 22 A HA 0.356 4.677 4.320 0.001 0.000 0.239 22 A C 0.738 178.291 177.584 -0.052 0.000 1.061 22 A CA 0.382 52.367 52.037 -0.087 0.000 0.758 22 A CB -0.257 18.669 19.000 -0.122 0.000 0.991 22 A HN 0.732 nan 8.150 nan 0.000 0.502 23 R N 0.561 121.032 120.500 -0.049 0.000 2.781 23 R HA 0.627 4.967 4.340 0.001 0.000 0.268 23 R C -0.795 175.490 176.300 -0.024 0.000 1.047 23 R CA -0.684 55.396 56.100 -0.033 0.000 0.925 23 R CB 0.543 30.827 30.300 -0.027 0.000 1.246 23 R HN 0.456 nan 8.270 nan 0.000 0.456 24 S N 0.134 115.822 115.700 -0.020 0.000 2.572 24 S HA 0.048 4.519 4.470 0.001 0.000 0.279 24 S C -0.967 173.669 174.600 0.060 0.000 1.341 24 S CA -0.577 57.630 58.200 0.011 0.000 1.043 24 S CB 0.228 63.418 63.200 -0.016 0.000 0.887 24 S HN 0.488 nan 8.310 nan 0.000 0.516 25 W N 4.142 125.386 121.300 -0.095 0.000 2.419 25 W HA 0.495 5.155 4.660 -0.000 0.000 0.312 25 W C -1.340 175.087 176.519 -0.153 0.000 1.323 25 W CA -0.299 56.972 57.345 -0.124 0.000 1.293 25 W CB -0.084 29.305 29.460 -0.119 0.000 1.324 25 W HN 0.430 nan 8.180 nan 0.000 0.512 26 L N 6.578 127.461 121.223 -0.567 0.000 2.370 26 L HA 0.266 4.606 4.340 0.001 0.000 0.266 26 L C 0.017 176.429 176.870 -0.764 0.000 1.002 26 L CA -1.310 53.218 54.840 -0.520 0.000 0.818 26 L CB 1.865 43.776 42.059 -0.247 0.000 1.325 26 L HN 0.235 nan 8.230 nan 0.000 0.418 27 H N 1.794 120.595 119.070 -0.448 0.000 3.067 27 H HA 0.176 4.733 4.556 0.001 0.000 0.265 27 H C -0.238 174.961 175.328 -0.215 0.000 1.234 27 H CA 0.057 55.898 56.048 -0.345 0.000 1.452 27 H CB 1.212 30.829 29.762 -0.241 0.000 1.527 27 H HN 0.417 nan 8.280 nan 0.000 0.486 28 S N 1.784 117.404 115.700 -0.134 0.000 2.578 28 S HA 0.100 4.570 4.470 0.001 0.000 0.301 28 S C 0.812 175.367 174.600 -0.076 0.000 1.091 28 S CA -0.938 57.202 58.200 -0.101 0.000 1.032 28 S CB 1.176 64.296 63.200 -0.134 0.000 1.064 28 S HN 0.654 nan 8.310 nan 0.000 0.508 29 D N 2.279 122.641 120.400 -0.063 0.000 2.328 29 D HA 0.207 4.847 4.640 0.001 0.000 0.226 29 D C 0.754 177.008 176.300 -0.077 0.000 1.066 29 D CA -0.098 53.870 54.000 -0.053 0.000 0.861 29 D CB -0.544 40.233 40.800 -0.038 0.000 0.912 29 D HN 0.576 nan 8.370 nan 0.000 0.521 30 A N 1.299 124.053 122.820 -0.111 0.000 2.520 30 A HA 0.333 4.653 4.320 0.001 0.000 0.235 30 A C -2.102 175.374 177.584 -0.181 0.000 1.065 30 A CA -0.792 51.147 52.037 -0.163 0.000 0.764 30 A CB -0.348 18.537 19.000 -0.192 0.000 1.002 30 A HN 0.119 nan 8.150 nan 0.000 0.502 31 P HA 0.426 nan 4.420 nan 0.000 0.268 31 P C -0.421 176.721 177.300 -0.264 0.000 1.205 31 P CA 0.439 63.407 63.100 -0.221 0.000 0.771 31 P CB 0.989 32.462 31.700 -0.378 0.000 0.858 32 A N 2.469 125.328 122.820 0.065 0.000 2.587 32 A HA 0.817 5.137 4.320 0.001 0.000 0.293 32 A C -1.488 176.286 177.584 0.316 0.000 1.087 32 A CA -0.598 51.525 52.037 0.143 0.000 0.692 32 A CB 1.115 20.127 19.000 0.021 0.000 1.291 32 A HN 0.508 nan 8.150 nan 0.000 0.407 33 L N -1.368 120.027 121.223 0.287 0.000 2.424 33 L HA 0.919 5.259 4.340 0.001 0.000 0.258 33 L C -0.302 176.606 176.870 0.063 0.000 0.995 33 L CA -0.533 54.403 54.840 0.159 0.000 0.821 33 L CB 1.857 43.987 42.059 0.119 0.000 1.383 33 L HN 0.609 nan 8.230 nan 0.000 0.410 34 S N 1.096 116.820 115.700 0.040 0.000 2.480 34 S HA 0.608 5.078 4.470 0.001 0.000 0.286 34 S C 0.467 175.062 174.600 -0.008 0.000 1.180 34 S CA -0.642 57.570 58.200 0.021 0.000 1.075 34 S CB 0.589 63.822 63.200 0.054 0.000 0.996 34 S HN 0.753 nan 8.310 nan 0.000 0.487 35 L N 3.554 124.758 121.223 -0.031 0.000 2.628 35 L HA 0.239 4.579 4.340 0.001 0.000 0.229 35 L C 0.275 177.287 176.870 0.235 0.000 1.137 35 L CA -0.324 54.499 54.840 -0.028 0.000 0.909 35 L CB -0.411 41.544 42.059 -0.174 0.000 1.137 35 L HN 0.533 nan 8.230 nan 0.000 0.470 36 N N 1.481 120.298 118.700 0.196 0.000 2.395 36 N HA 0.357 5.098 4.740 0.001 0.000 0.246 36 N C 0.555 176.235 175.510 0.284 0.000 1.246 36 N CA 1.027 54.223 53.050 0.243 0.000 0.879 36 N CB 0.929 39.489 38.487 0.121 0.000 1.098 36 N HN 0.297 nan 8.380 nan 0.000 0.444 37 G N 0.463 109.469 108.800 0.344 0.000 2.350 37 G HA2 -0.011 3.949 3.960 0.001 0.000 0.276 37 G HA3 -0.011 3.949 3.960 0.001 0.000 0.276 37 G C -1.991 173.144 174.900 0.393 0.000 1.313 37 G CA -0.762 44.513 45.100 0.291 0.000 0.903 37 G HN 0.431 nan 8.290 nan 0.000 0.490 38 D N 0.630 121.222 120.400 0.321 0.000 2.313 38 D HA 0.450 5.090 4.640 0.001 0.000 0.239 38 D C -0.711 175.866 176.300 0.462 0.000 1.142 38 D CA 0.232 54.437 54.000 0.342 0.000 0.847 38 D CB 0.941 41.867 40.800 0.210 0.000 1.082 38 D HN 0.236 nan 8.370 nan 0.000 0.480 39 W N 1.635 123.046 121.300 0.185 0.000 2.509 39 W HA 0.307 4.967 4.660 0.001 0.000 0.351 39 W C 0.812 177.482 176.519 0.250 0.000 1.107 39 W CA -0.830 56.656 57.345 0.235 0.000 1.264 39 W CB 0.496 30.171 29.460 0.359 0.000 1.312 39 W HN -0.051 nan 8.180 nan 0.000 0.608 40 R N 1.723 122.495 120.500 0.454 0.000 2.537 40 R HA 0.291 4.632 4.340 0.001 0.000 0.280 40 R C -0.888 175.782 176.300 0.616 0.000 1.058 40 R CA -0.465 55.906 56.100 0.453 0.000 1.057 40 R CB -0.565 29.898 30.300 0.272 0.000 0.973 40 R HN 0.414 nan 8.270 nan 0.000 0.438 41 F N 2.311 122.470 119.950 0.348 0.000 2.581 41 F HA 0.504 5.031 4.527 0.001 0.000 0.311 41 F C -0.760 174.828 175.800 -0.355 0.000 1.113 41 F CA -1.043 56.900 58.000 -0.095 0.000 0.935 41 F CB 1.446 40.202 39.000 -0.406 0.000 1.232 41 F HN 0.574 nan 8.300 nan 0.000 0.445 42 R N 4.793 124.352 120.500 -1.568 0.000 2.771 42 R HA 0.806 5.146 4.340 0.001 0.000 0.274 42 R C -2.485 172.708 176.300 -1.846 0.000 0.987 42 R CA -1.155 53.968 56.100 -1.628 0.000 0.908 42 R CB 2.001 31.302 30.300 -1.665 0.000 1.213 42 R HN 0.662 nan 8.270 nan 0.000 0.468 43 L N 2.901 123.378 121.223 -1.243 0.000 2.305 43 L HA 0.483 4.824 4.340 0.001 0.000 0.284 43 L C -1.377 175.173 176.870 -0.533 0.000 1.013 43 L CA -0.653 53.621 54.840 -0.943 0.000 0.819 43 L CB 1.502 43.191 42.059 -0.617 0.000 1.227 43 L HN 0.653 nan 8.230 nan 0.000 0.417 44 L N 7.053 128.012 121.223 -0.440 0.000 2.343 44 L HA 0.529 4.869 4.340 0.001 0.000 0.275 44 L C -1.347 175.447 176.870 -0.127 0.000 1.056 44 L CA -1.515 53.184 54.840 -0.235 0.000 0.804 44 L CB 1.320 43.272 42.059 -0.178 0.000 1.203 44 L HN 0.499 nan 8.230 nan 0.000 0.440 45 P HA 0.040 nan 4.420 nan 0.000 0.241 45 P C -0.112 177.218 177.300 0.050 0.000 1.191 45 P CA 0.539 63.643 63.100 0.007 0.000 0.771 45 P CB 0.647 32.356 31.700 0.014 0.000 0.929 46 A N -0.639 122.208 122.820 0.044 0.000 2.610 46 A HA 0.674 4.995 4.320 0.001 0.000 0.291 46 A C -1.256 176.388 177.584 0.100 0.000 1.086 46 A CA -0.521 51.564 52.037 0.080 0.000 0.677 46 A CB 0.845 19.881 19.000 0.059 0.000 1.278 46 A HN -0.006 nan 8.150 nan 0.000 0.414 47 A N 1.801 124.695 122.820 0.125 0.000 2.350 47 A HA 0.639 4.960 4.320 0.001 0.000 0.293 47 A C -2.535 175.124 177.584 0.124 0.000 1.231 47 A CA -1.274 50.870 52.037 0.178 0.000 0.883 47 A CB -0.749 18.268 19.000 0.028 0.000 1.133 47 A HN 0.426 nan 8.150 nan 0.000 0.533 48 P HA 0.226 nan 4.420 nan 0.000 0.265 48 P C 1.174 178.540 177.300 0.111 0.000 1.187 48 P CA 1.818 64.983 63.100 0.108 0.000 0.766 48 P CB 0.720 32.486 31.700 0.110 0.000 0.820 49 G N 1.200 110.046 108.800 0.077 0.000 2.217 49 G HA2 -0.219 3.741 3.960 0.001 0.000 0.246 49 G HA3 -0.219 3.741 3.960 0.001 0.000 0.246 49 G C 0.355 175.277 174.900 0.038 0.000 0.990 49 G CA 0.328 45.469 45.100 0.068 0.000 0.627 49 G HN 0.817 nan 8.290 nan 0.000 0.522 50 T N -1.633 112.935 114.554 0.023 0.000 2.899 50 T HA 0.744 5.095 4.350 0.001 0.000 0.284 50 T C 1.700 176.404 174.700 0.007 0.000 1.004 50 T CA 0.468 62.568 62.100 0.000 0.000 1.043 50 T CB 1.787 70.645 68.868 -0.017 0.000 1.013 50 T HN 1.386 nan 8.240 nan 0.000 0.518 51 A N 1.418 124.237 122.820 -0.001 0.000 1.940 51 A HA 0.161 4.482 4.320 0.001 0.000 0.219 51 A C 2.203 179.788 177.584 0.002 0.000 1.176 51 A CA 1.465 53.501 52.037 -0.001 0.000 0.631 51 A CB -1.347 17.647 19.000 -0.010 0.000 0.814 51 A HN 1.126 nan 8.150 nan 0.000 0.446 52 G N -1.874 106.927 108.800 0.002 0.000 3.314 52 G HA2 0.402 4.363 3.960 0.001 0.000 0.238 52 G HA3 0.402 4.363 3.960 0.001 0.000 0.238 52 G C 0.590 175.500 174.900 0.016 0.000 1.184 52 G CA 0.709 45.813 45.100 0.007 0.000 0.806 52 G HN 0.836 nan 8.290 nan 0.000 0.536 53 A N -0.076 122.755 122.820 0.019 0.000 2.631 53 A HA 0.573 4.894 4.320 0.001 0.000 0.294 53 A C 2.041 179.639 177.584 0.023 0.000 1.156 53 A CA 0.656 52.708 52.037 0.025 0.000 0.963 53 A CB 0.006 19.027 19.000 0.034 0.000 1.202 53 A HN 0.294 nan 8.150 nan 0.000 0.523 54 G N 0.976 109.787 108.800 0.018 0.000 2.507 54 G HA2 -0.195 3.765 3.960 0.001 0.000 0.221 54 G HA3 -0.195 3.765 3.960 0.001 0.000 0.221 54 G C 1.104 176.014 174.900 0.017 0.000 1.119 54 G CA 1.630 46.741 45.100 0.017 0.000 0.751 54 G HN 1.159 nan 8.290 nan 0.000 0.574 55 S N -1.060 114.649 115.700 0.015 0.000 2.751 55 S HA 0.368 4.838 4.470 0.001 0.000 0.247 55 S C 1.006 175.612 174.600 0.009 0.000 1.103 55 S CA 0.191 58.399 58.200 0.013 0.000 1.090 55 S CB 0.922 64.128 63.200 0.010 0.000 0.928 55 S HN 0.109 nan 8.310 nan 0.000 0.502 56 V N 1.223 121.143 119.914 0.011 0.000 2.667 56 V HA 0.295 4.416 4.120 0.001 0.000 0.252 56 V C 0.546 176.635 176.094 -0.007 0.000 1.065 56 V CA 1.161 63.462 62.300 0.002 0.000 1.083 56 V CB -0.308 31.520 31.823 0.009 0.000 0.692 56 V HN 0.651 nan 8.190 nan 0.000 0.468 57 L N 0.567 121.795 121.223 0.008 0.000 2.375 57 L HA 0.451 4.792 4.340 0.001 0.000 0.268 57 L C -1.957 174.926 176.870 0.021 0.000 1.058 57 L CA -1.968 52.881 54.840 0.016 0.000 0.803 57 L CB 0.653 42.734 42.059 0.037 0.000 1.212 57 L HN 0.064 nan 8.230 nan 0.000 0.451 58 P HA -0.007 nan 4.420 nan 0.000 0.268 58 P C -0.471 176.849 177.300 0.034 0.000 1.208 58 P CA -0.186 62.933 63.100 0.032 0.000 0.777 58 P CB 0.549 32.281 31.700 0.053 0.000 0.875 59 S N 1.358 117.070 115.700 0.021 0.000 2.558 59 S HA 0.249 4.719 4.470 0.001 0.000 0.293 59 S C 1.587 176.201 174.600 0.022 0.000 1.292 59 S CA 1.064 59.275 58.200 0.018 0.000 1.063 59 S CB -1.103 62.103 63.200 0.010 0.000 0.831 59 S HN 0.899 nan 8.310 nan 0.000 0.499 60 G N 3.065 111.879 108.800 0.023 0.000 2.245 60 G HA2 -0.281 3.679 3.960 0.001 0.000 0.264 60 G HA3 -0.281 3.679 3.960 0.001 0.000 0.264 60 G C 0.001 174.925 174.900 0.039 0.000 0.985 60 G CA 0.514 45.628 45.100 0.024 0.000 0.625 60 G HN 0.838 nan 8.290 nan 0.000 0.536 61 E N 2.184 122.419 120.200 0.059 0.000 2.290 61 E HA 0.447 4.798 4.350 0.001 0.000 0.277 61 E C 1.258 177.896 176.600 0.065 0.000 1.035 61 E CA 0.260 56.716 56.400 0.093 0.000 0.873 61 E CB 0.343 30.131 29.700 0.147 0.000 1.029 61 E HN 0.441 nan 8.360 nan 0.000 0.419 62 T N 0.262 114.849 114.554 0.055 0.000 2.813 62 T HA 0.038 4.389 4.350 0.001 0.000 0.297 62 T C 1.485 176.200 174.700 0.026 0.000 1.036 62 T CA -0.811 61.309 62.100 0.035 0.000 1.044 62 T CB 1.275 70.156 68.868 0.023 0.000 0.993 62 T HN 0.273 nan 8.240 nan 0.000 0.535 63 V N 1.506 121.442 119.914 0.037 0.000 2.282 63 V HA -0.145 3.976 4.120 0.001 0.000 0.249 63 V C 2.153 178.269 176.094 0.036 0.000 1.057 63 V CA 2.056 64.390 62.300 0.057 0.000 1.032 63 V CB -0.796 31.081 31.823 0.090 0.000 0.645 63 V HN 0.985 nan 8.190 nan 0.000 0.447 64 E N -0.683 119.515 120.200 -0.003 0.000 2.569 64 E HA 0.212 4.563 4.350 0.001 0.000 0.205 64 E C 1.833 178.249 176.600 -0.308 0.000 1.006 64 E CA 0.418 56.740 56.400 -0.130 0.000 0.985 64 E CB 0.537 30.271 29.700 0.057 0.000 1.060 64 E HN 0.565 nan 8.360 nan 0.000 0.460 65 G N 1.053 109.740 108.800 -0.189 0.000 2.470 65 G HA2 -0.232 3.728 3.960 0.001 0.000 0.220 65 G HA3 -0.232 3.728 3.960 0.001 0.000 0.220 65 G C 1.560 176.232 174.900 -0.380 0.000 1.121 65 G CA 0.387 45.389 45.100 -0.164 0.000 0.766 65 G HN 0.287 nan 8.290 nan 0.000 0.553 66 V N 1.062 120.586 119.914 -0.650 0.000 2.688 66 V HA -0.005 4.115 4.120 0.001 0.000 0.256 66 V C 2.912 178.527 176.094 -0.798 0.000 1.084 66 V CA 2.210 63.860 62.300 -1.083 0.000 1.103 66 V CB -0.392 31.027 31.823 -0.673 0.000 0.688 66 V HN 0.415 nan 8.190 nan 0.000 0.480 67 A N -0.108 122.221 122.820 -0.817 0.000 2.067 67 A HA 0.438 4.759 4.320 0.001 0.000 0.217 67 A C 1.470 178.824 177.584 -0.382 0.000 1.156 67 A CA 0.839 52.393 52.037 -0.805 0.000 0.683 67 A CB -0.555 17.476 19.000 -1.615 0.000 0.808 67 A HN 0.852 nan 8.150 nan 0.000 0.455 68 A N 0.103 122.756 122.820 -0.279 0.000 2.462 68 A HA 0.303 4.623 4.320 0.001 0.000 0.243 68 A C 0.820 178.368 177.584 -0.060 0.000 1.076 68 A CA 0.006 51.974 52.037 -0.116 0.000 0.773 68 A CB 0.103 19.074 19.000 -0.049 0.000 1.010 68 A HN 0.508 nan 8.150 nan 0.000 0.493 69 E N 1.091 121.264 120.200 -0.046 0.000 2.265 69 E HA -0.157 4.194 4.350 0.001 0.000 0.196 69 E C 1.785 178.363 176.600 -0.036 0.000 0.996 69 E CA 1.449 57.822 56.400 -0.045 0.000 0.832 69 E CB -0.023 29.648 29.700 -0.048 0.000 0.756 69 E HN 0.871 nan 8.360 nan 0.000 0.491 70 S N -0.348 115.339 115.700 -0.022 0.000 2.593 70 S HA -0.074 4.397 4.470 0.001 0.000 0.217 70 S C 0.520 175.104 174.600 -0.026 0.000 0.966 70 S CA -0.409 57.772 58.200 -0.031 0.000 0.914 70 S CB -0.324 62.857 63.200 -0.030 0.000 0.776 70 S HN 0.226 nan 8.310 nan 0.000 0.523 71 Y N 3.279 123.500 120.300 -0.132 0.000 2.610 71 Y HA 0.263 4.813 4.550 0.001 0.000 0.332 71 Y C 0.042 175.831 175.900 -0.185 0.000 1.201 71 Y CA -0.305 57.704 58.100 -0.151 0.000 1.465 71 Y CB 0.375 38.724 38.460 -0.184 0.000 1.283 71 Y HN 0.144 nan 8.280 nan 0.000 0.563 72 D N 4.665 124.614 120.400 -0.752 0.000 2.396 72 D HA 0.100 4.740 4.640 0.001 0.000 0.225 72 D C -0.561 175.365 176.300 -0.623 0.000 1.121 72 D CA -0.547 53.138 54.000 -0.526 0.000 0.853 72 D CB 0.419 40.990 40.800 -0.382 0.000 1.043 72 D HN 0.618 nan 8.370 nan 0.000 0.500 73 D N 2.400 122.503 120.400 -0.495 0.000 2.501 73 D HA 0.135 4.775 4.640 0.001 0.000 0.226 73 D C 1.352 177.418 176.300 -0.390 0.000 1.198 73 D CA -0.315 53.190 54.000 -0.826 0.000 0.830 73 D CB 0.138 40.159 40.800 -1.298 0.000 1.014 73 D HN 0.264 nan 8.370 nan 0.000 0.496 74 A N 0.712 123.420 122.820 -0.187 0.000 2.019 74 A HA 0.132 4.453 4.320 0.001 0.000 0.219 74 A C 2.183 179.790 177.584 0.039 0.000 1.164 74 A CA 1.473 53.471 52.037 -0.065 0.000 0.644 74 A CB -0.447 18.517 19.000 -0.060 0.000 0.805 74 A HN 0.388 nan 8.150 nan 0.000 0.449 75 A N -2.016 120.871 122.820 0.111 0.000 2.251 75 A HA 0.312 4.632 4.320 0.001 0.000 0.209 75 A C 0.093 177.868 177.584 0.318 0.000 1.187 75 A CA -0.434 51.712 52.037 0.181 0.000 0.823 75 A CB -0.302 18.787 19.000 0.148 0.000 0.846 75 A HN 0.509 nan 8.150 nan 0.000 0.486 76 W N 1.584 122.901 121.300 0.029 0.000 2.202 76 W HA 0.361 5.021 4.660 0.000 0.000 0.332 76 W C -0.170 176.392 176.519 0.071 0.000 1.263 76 W CA -1.167 56.203 57.345 0.042 0.000 1.223 76 W CB 0.199 29.687 29.460 0.047 0.000 1.128 76 W HN 0.168 nan 8.180 nan 0.000 0.573 77 D N 0.331 120.901 120.400 0.283 0.000 2.384 77 D HA 0.170 4.810 4.640 0.001 0.000 0.244 77 D C 0.467 176.953 176.300 0.311 0.000 1.251 77 D CA 0.348 54.503 54.000 0.257 0.000 0.961 77 D CB 0.467 41.423 40.800 0.259 0.000 1.116 77 D HN 0.252 nan 8.370 nan 0.000 0.484 78 T N -2.117 112.598 114.554 0.268 0.000 2.942 78 T HA 0.681 5.031 4.350 0.001 0.000 0.289 78 T C -0.601 174.227 174.700 0.213 0.000 1.044 78 T CA -0.911 61.352 62.100 0.272 0.000 1.023 78 T CB 1.452 70.459 68.868 0.231 0.000 1.123 78 T HN 0.209 nan 8.240 nan 0.000 0.512 79 L N 1.556 122.880 121.223 0.168 0.000 2.455 79 L HA 0.641 4.982 4.340 0.001 0.000 0.264 79 L C -2.841 174.078 176.870 0.083 0.000 0.968 79 L CA -2.098 52.742 54.840 0.001 0.000 0.827 79 L CB 2.327 44.114 42.059 -0.453 0.000 1.317 79 L HN 0.471 nan 8.230 nan 0.000 0.407 80 P HA 0.211 nan 4.420 nan 0.000 0.271 80 P C -1.305 175.988 177.300 -0.012 0.000 1.216 80 P CA -0.076 63.063 63.100 0.066 0.000 0.771 80 P CB 0.943 32.669 31.700 0.043 0.000 0.864 81 V N 5.915 125.801 119.914 -0.046 0.000 2.444 81 V HA 0.382 4.502 4.120 0.001 0.000 0.294 81 V C -2.086 173.958 176.094 -0.084 0.000 1.022 81 V CA -1.990 60.171 62.300 -0.231 0.000 0.850 81 V CB 1.902 33.264 31.823 -0.768 0.000 0.992 81 V HN 0.543 nan 8.190 nan 0.000 0.426 82 P HA 0.472 nan 4.420 nan 0.000 0.282 82 P C -0.678 176.552 177.300 -0.118 0.000 1.249 82 P CA -0.034 62.972 63.100 -0.156 0.000 0.806 82 P CB 1.727 33.348 31.700 -0.132 0.000 0.984 83 S N 0.950 116.555 115.700 -0.159 0.000 2.636 83 S HA 0.362 4.832 4.470 0.001 0.000 0.266 83 S C -1.256 173.201 174.600 -0.237 0.000 1.147 83 S CA -0.913 57.200 58.200 -0.145 0.000 0.815 83 S CB 0.965 64.136 63.200 -0.048 0.000 1.119 83 S HN 0.486 nan 8.310 nan 0.000 0.470 84 H N 0.738 119.793 119.070 -0.025 0.000 2.458 84 H HA 0.277 4.833 4.556 0.001 0.000 0.330 84 H C 0.282 175.567 175.328 -0.071 0.000 1.111 84 H CA -0.216 55.756 56.048 -0.127 0.000 1.245 84 H CB 0.871 30.510 29.762 -0.206 0.000 1.456 84 H HN 0.950 nan 8.280 nan 0.000 0.488 85 W N 2.917 124.233 121.300 0.027 0.000 2.525 85 W HA -0.031 4.630 4.660 0.001 0.000 0.259 85 W C 0.947 177.502 176.519 0.059 0.000 1.253 85 W CA 0.601 57.900 57.345 -0.077 0.000 1.262 85 W CB -0.833 28.480 29.460 -0.246 0.000 1.122 85 W HN 0.295 nan 8.180 nan 0.000 0.607 86 V N -1.482 118.472 119.914 0.067 0.000 3.623 86 V HA 0.205 4.325 4.120 0.001 0.000 0.271 86 V C 0.575 176.617 176.094 -0.088 0.000 1.248 86 V CA 0.195 62.502 62.300 0.011 0.000 1.156 86 V CB -0.947 30.792 31.823 -0.140 0.000 0.870 86 V HN 0.125 nan 8.190 nan 0.000 0.453 87 M N 0.613 120.202 119.600 -0.018 0.000 2.535 87 M HA 0.653 5.134 4.480 0.001 0.000 0.314 87 M C 1.059 177.368 176.300 0.015 0.000 1.153 87 M CA 0.469 55.743 55.300 -0.044 0.000 0.924 87 M CB 1.106 33.703 32.600 -0.005 0.000 1.710 87 M HN 0.362 nan 8.290 nan 0.000 0.451 88 G N 1.824 110.620 108.800 -0.006 0.000 2.187 88 G HA2 -0.224 3.737 3.960 0.001 0.000 0.261 88 G HA3 -0.224 3.737 3.960 0.001 0.000 0.261 88 G C 0.275 175.191 174.900 0.028 0.000 1.000 88 G CA 0.260 45.370 45.100 0.016 0.000 0.718 88 G HN 0.650 nan 8.290 nan 0.000 0.519 89 Q N 0.017 119.832 119.800 0.026 0.000 2.135 89 Q HA 0.182 4.522 4.340 0.001 0.000 0.222 89 Q C 0.487 176.468 176.000 -0.032 0.000 0.808 89 Q CA 0.197 56.016 55.803 0.027 0.000 1.049 89 Q CB 0.469 29.275 28.738 0.114 0.000 1.168 89 Q HN 0.573 nan 8.270 nan 0.000 0.483 90 D N 0.895 121.275 120.400 -0.033 0.000 2.737 90 D HA -0.209 4.432 4.640 0.001 0.000 0.233 90 D C 0.902 177.173 176.300 -0.048 0.000 1.155 90 D CA 1.442 55.418 54.000 -0.040 0.000 0.667 90 D CB -1.159 39.620 40.800 -0.035 0.000 1.060 90 D HN 0.636 nan 8.370 nan 0.000 0.427 91 G N 0.217 108.983 108.800 -0.056 0.000 2.162 91 G HA2 -0.452 3.509 3.960 0.001 0.000 0.260 91 G HA3 -0.452 3.509 3.960 0.001 0.000 0.260 91 G C 0.986 175.848 174.900 -0.063 0.000 0.976 91 G CA 1.139 46.211 45.100 -0.047 0.000 0.655 91 G HN 0.576 nan 8.290 nan 0.000 0.533 92 K N -0.477 119.831 120.400 -0.152 0.000 2.103 92 K HA -0.040 4.281 4.320 0.001 0.000 0.207 92 K C 1.051 177.411 176.600 -0.399 0.000 1.048 92 K CA 1.477 57.556 56.287 -0.347 0.000 0.930 92 K CB -0.144 32.017 32.500 -0.565 0.000 0.716 92 K HN 0.575 nan 8.250 nan 0.000 0.444 93 Y N 0.347 120.696 120.300 0.082 0.000 2.736 93 Y HA 0.288 4.839 4.550 0.001 0.000 0.293 93 Y C 0.484 176.502 175.900 0.196 0.000 1.062 93 Y CA -0.343 57.834 58.100 0.127 0.000 1.247 93 Y CB 1.091 39.669 38.460 0.197 0.000 1.200 93 Y HN 0.295 nan 8.280 nan 0.000 0.552 94 G N 0.897 109.815 108.800 0.196 0.000 2.728 94 G HA2 -0.127 3.833 3.960 0.001 0.000 0.294 94 G HA3 -0.127 3.833 3.960 0.001 0.000 0.294 94 G C -1.015 173.919 174.900 0.056 0.000 1.342 94 G CA -1.110 44.085 45.100 0.158 0.000 0.866 94 G HN 0.150 nan 8.290 nan 0.000 0.534 95 R N -0.287 120.206 120.500 -0.011 0.000 2.867 95 R HA 0.655 4.995 4.340 0.001 0.000 0.268 95 R C -2.502 173.679 176.300 -0.198 0.000 1.014 95 R CA -1.697 54.243 56.100 -0.266 0.000 0.946 95 R CB 1.092 31.176 30.300 -0.360 0.000 1.208 95 R HN 0.434 nan 8.270 nan 0.000 0.477 96 P HA 0.202 nan 4.420 nan 0.000 0.269 96 P C -0.453 177.090 177.300 0.406 0.000 1.217 96 P CA 0.115 63.167 63.100 -0.080 0.000 0.783 96 P CB 0.473 31.857 31.700 -0.528 0.000 0.898 97 I N 1.579 122.571 120.570 0.704 0.000 2.466 97 I HA 0.273 4.444 4.170 0.001 0.000 0.289 97 I C -0.902 175.762 176.117 0.911 0.000 1.026 97 I CA -0.889 60.870 61.300 0.764 0.000 1.078 97 I CB 1.500 39.851 38.000 0.585 0.000 1.249 97 I HN 0.286 nan 8.210 nan 0.000 0.429 98 Y N 6.837 127.422 120.300 0.474 0.000 2.342 98 Y HA 0.603 5.154 4.550 0.001 0.000 0.338 98 Y C -0.139 175.861 175.900 0.168 0.000 0.965 98 Y CA -0.760 57.344 58.100 0.007 0.000 1.159 98 Y CB 1.168 39.176 38.460 -0.753 0.000 1.157 98 Y HN 0.626 nan 8.280 nan 0.000 0.486 99 T N 2.341 116.653 114.554 -0.405 0.000 2.907 99 T HA 0.332 4.682 4.350 0.001 0.000 0.292 99 T C -0.018 174.197 174.700 -0.807 0.000 1.043 99 T CA -0.820 60.933 62.100 -0.578 0.000 1.003 99 T CB 1.950 70.783 68.868 -0.059 0.000 1.084 99 T HN 0.605 nan 8.240 nan 0.000 0.483 100 N N 0.673 118.974 118.700 -0.664 0.000 2.358 100 N HA 0.063 4.803 4.740 0.001 0.000 0.209 100 N C 1.502 176.838 175.510 -0.290 0.000 1.033 100 N CA 1.039 53.863 53.050 -0.378 0.000 1.021 100 N CB -0.618 37.683 38.487 -0.309 0.000 1.244 100 N HN 0.433 nan 8.380 nan 0.000 0.523 101 V N 1.499 121.193 119.914 -0.367 0.000 2.795 101 V HA 0.056 4.176 4.120 0.001 0.000 0.243 101 V C 0.645 176.442 176.094 -0.494 0.000 1.069 101 V CA 0.482 62.490 62.300 -0.486 0.000 1.089 101 V CB -0.614 30.807 31.823 -0.670 0.000 0.756 101 V HN 0.544 nan 8.190 nan 0.000 0.471 102 Q N 0.123 119.681 119.800 -0.404 0.000 2.337 102 Q HA 0.115 4.455 4.340 0.001 0.000 0.270 102 Q C -1.150 174.630 176.000 -0.366 0.000 1.002 102 Q CA -0.218 55.366 55.803 -0.365 0.000 0.888 102 Q CB 0.162 28.727 28.738 -0.287 0.000 1.222 102 Q HN 0.485 nan 8.270 nan 0.000 0.400 103 Y N 3.285 123.345 120.300 -0.401 0.000 2.411 103 Y HA 0.087 4.637 4.550 0.000 0.000 0.333 103 Y C -1.285 174.119 175.900 -0.827 0.000 1.186 103 Y CA -1.862 55.807 58.100 -0.718 0.000 1.381 103 Y CB 0.577 38.391 38.460 -1.077 0.000 1.273 103 Y HN 0.636 nan 8.280 nan 0.000 0.546 104 P HA 0.043 nan 4.420 nan 0.000 0.255 104 P C -1.057 175.823 177.300 -0.701 0.000 1.357 104 P CA 0.457 63.158 63.100 -0.665 0.000 0.839 104 P CB -0.353 30.974 31.700 -0.623 0.000 1.356 105 F N -2.370 117.242 119.950 -0.562 0.000 2.629 105 F HA 0.802 5.329 4.527 0.000 0.000 0.316 105 F C -2.877 172.716 175.800 -0.346 0.000 1.081 105 F CA -3.642 54.034 58.000 -0.541 0.000 0.954 105 F CB -0.575 37.936 39.000 -0.814 0.000 1.337 105 F HN -0.427 nan 8.300 nan 0.000 0.474 106 P HA 0.163 nan 4.420 nan 0.000 0.266 106 P C -0.370 176.966 177.300 0.060 0.000 1.195 106 P CA 0.088 63.182 63.100 -0.009 0.000 0.768 106 P CB 0.525 32.234 31.700 0.015 0.000 0.838 107 I N 2.744 123.297 120.570 -0.030 0.000 2.278 107 I HA 0.058 4.229 4.170 0.001 0.000 0.300 107 I C 0.538 176.696 176.117 0.068 0.000 1.174 107 I CA 0.794 62.070 61.300 -0.040 0.000 1.347 107 I CB -0.366 37.470 38.000 -0.272 0.000 1.473 107 I HN 0.235 nan 8.210 nan 0.000 0.595 108 D N 7.182 127.718 120.400 0.227 0.000 2.879 108 D HA 0.217 4.857 4.640 0.001 0.000 0.351 108 D C -2.499 173.888 176.300 0.145 0.000 1.239 108 D CA -1.714 52.396 54.000 0.183 0.000 0.771 108 D CB 1.107 42.019 40.800 0.187 0.000 1.176 108 D HN 0.120 nan 8.370 nan 0.000 0.496 109 P HA 0.187 nan 4.420 nan 0.000 0.269 109 P C -2.124 174.994 177.300 -0.304 0.000 1.209 109 P CA -0.962 61.818 63.100 -0.534 0.000 0.776 109 P CB 0.733 32.145 31.700 -0.480 0.000 0.876 110 P HA 0.098 nan 4.420 nan 0.000 0.254 110 P C -0.072 177.141 177.300 -0.145 0.000 1.494 110 P CA 0.141 63.058 63.100 -0.306 0.000 0.961 110 P CB -0.016 31.473 31.700 -0.352 0.000 1.493 111 H N 0.614 119.746 119.070 0.103 0.000 2.551 111 H HA 0.331 4.888 4.556 0.001 0.000 0.358 111 H C 0.731 176.089 175.328 0.050 0.000 1.151 111 H CA -0.273 55.810 56.048 0.058 0.000 1.374 111 H CB 1.947 31.719 29.762 0.018 0.000 1.473 111 H HN -0.049 nan 8.280 nan 0.000 0.574 112 V N -0.381 119.562 119.914 0.048 0.000 3.126 112 V HA 0.537 4.657 4.120 0.001 0.000 0.314 112 V C -2.543 173.500 176.094 -0.086 0.000 1.138 112 V CA -2.468 59.732 62.300 -0.167 0.000 1.034 112 V CB 1.233 32.928 31.823 -0.213 0.000 1.075 112 V HN 0.499 nan 8.190 nan 0.000 0.442 113 P HA 0.302 nan 4.420 nan 0.000 0.272 113 P C -0.038 177.293 177.300 0.051 0.000 1.230 113 P CA -0.124 62.955 63.100 -0.035 0.000 0.788 113 P CB 0.458 32.122 31.700 -0.061 0.000 0.949 114 D N 0.370 120.797 120.400 0.045 0.000 2.144 114 D HA -0.070 4.570 4.640 0.001 0.000 0.199 114 D C 0.717 177.078 176.300 0.102 0.000 0.984 114 D CA 1.022 55.057 54.000 0.058 0.000 0.834 114 D CB -0.366 40.455 40.800 0.035 0.000 0.955 114 D HN 0.389 nan 8.370 nan 0.000 0.465 115 A N 1.141 124.038 122.820 0.128 0.000 2.544 115 A HA 0.211 4.532 4.320 0.001 0.000 0.301 115 A C 0.020 177.781 177.584 0.296 0.000 1.368 115 A CA -0.126 52.015 52.037 0.173 0.000 1.045 115 A CB -0.394 18.704 19.000 0.163 0.000 1.129 115 A HN -0.026 nan 8.150 nan 0.000 0.540 116 N N 3.233 122.079 118.700 0.243 0.000 2.675 116 N HA 0.339 5.079 4.740 0.001 0.000 0.254 116 N C -3.389 172.219 175.510 0.164 0.000 1.224 116 N CA -1.894 51.320 53.050 0.273 0.000 0.777 116 N CB 1.565 40.216 38.487 0.273 0.000 1.256 116 N HN 0.107 nan 8.380 nan 0.000 0.531 117 P HA 0.070 nan 4.420 nan 0.000 0.260 117 P C -0.873 176.537 177.300 0.183 0.000 1.185 117 P CA 0.496 63.682 63.100 0.143 0.000 0.763 117 P CB 0.498 32.361 31.700 0.273 0.000 0.776 118 T N 3.026 117.568 114.554 -0.020 0.000 2.840 118 T HA 0.553 4.903 4.350 0.001 0.000 0.287 118 T C 0.137 174.592 174.700 -0.408 0.000 0.991 118 T CA -0.567 61.501 62.100 -0.054 0.000 0.964 118 T CB 1.439 70.347 68.868 0.066 0.000 0.954 118 T HN 0.311 nan 8.240 nan 0.000 0.438 119 G N 2.102 110.619 108.800 -0.472 0.000 2.368 119 G HA2 0.547 4.507 3.960 0.001 0.000 0.320 119 G HA3 0.547 4.507 3.960 0.001 0.000 0.320 119 G C -0.966 173.792 174.900 -0.237 0.000 1.158 119 G CA -0.575 44.100 45.100 -0.708 0.000 0.912 119 G HN 0.527 nan 8.290 nan 0.000 0.456 120 D N 1.264 121.383 120.400 -0.468 0.000 2.232 120 D HA 0.463 5.104 4.640 0.001 0.000 0.242 120 D C -0.684 175.664 176.300 0.080 0.000 1.093 120 D CA 0.231 54.215 54.000 -0.027 0.000 0.845 120 D CB 1.625 42.435 40.800 0.017 0.000 1.124 120 D HN 0.131 nan 8.370 nan 0.000 0.467 121 F N 1.468 121.643 119.950 0.375 0.000 2.520 121 F HA 0.480 5.008 4.527 0.001 0.000 0.322 121 F C 0.559 176.704 175.800 0.576 0.000 1.103 121 F CA -0.815 57.523 58.000 0.565 0.000 0.926 121 F CB 1.724 41.016 39.000 0.488 0.000 1.154 121 F HN -0.101 nan 8.300 nan 0.000 0.453 122 R N 2.043 122.953 120.500 0.683 0.000 2.538 122 R HA 0.681 5.022 4.340 0.001 0.000 0.292 122 R C -1.282 175.097 176.300 0.132 0.000 1.008 122 R CA -1.190 55.101 56.100 0.318 0.000 0.896 122 R CB 2.632 32.948 30.300 0.025 0.000 1.187 122 R HN 0.410 nan 8.270 nan 0.000 0.440 123 R N 2.239 122.649 120.500 -0.150 0.000 2.532 123 R HA 0.391 4.731 4.340 0.001 0.000 0.297 123 R C -1.198 175.010 176.300 -0.154 0.000 0.984 123 R CA -0.727 55.072 56.100 -0.502 0.000 0.884 123 R CB 1.141 30.548 30.300 -1.487 0.000 1.182 123 R HN 0.524 nan 8.270 nan 0.000 0.442 124 R N 3.661 124.092 120.500 -0.115 0.000 2.474 124 R HA 0.646 4.986 4.340 0.001 0.000 0.295 124 R C -0.871 175.439 176.300 0.017 0.000 0.980 124 R CA -0.425 55.624 56.100 -0.085 0.000 0.934 124 R CB 1.145 31.372 30.300 -0.121 0.000 1.101 124 R HN 0.639 nan 8.270 nan 0.000 0.469 125 F N -2.062 117.798 119.950 -0.150 0.000 2.693 125 F HA 0.491 5.019 4.527 0.001 0.000 0.309 125 F C -1.357 174.374 175.800 -0.116 0.000 1.129 125 F CA -1.417 56.501 58.000 -0.137 0.000 0.948 125 F CB 1.520 40.430 39.000 -0.151 0.000 1.315 125 F HN 0.251 nan 8.300 nan 0.000 0.447 126 D N 1.249 121.646 120.400 -0.005 0.000 2.168 126 D HA 0.646 5.286 4.640 0.001 0.000 0.246 126 D C -1.146 175.110 176.300 -0.073 0.000 1.050 126 D CA -0.288 53.650 54.000 -0.103 0.000 0.857 126 D CB 2.286 43.030 40.800 -0.092 0.000 1.169 126 D HN 0.553 nan 8.370 nan 0.000 0.453 127 V N 4.155 123.985 119.914 -0.139 0.000 2.448 127 V HA 0.401 4.522 4.120 0.001 0.000 0.295 127 V C -2.174 173.753 176.094 -0.277 0.000 1.025 127 V CA -1.900 60.237 62.300 -0.270 0.000 0.859 127 V CB 1.649 33.465 31.823 -0.012 0.000 0.988 127 V HN 0.516 nan 8.190 nan 0.000 0.431 128 P HA 0.085 nan 4.420 nan 0.000 0.265 128 P C 0.713 178.012 177.300 -0.002 0.000 1.193 128 P CA 0.164 63.085 63.100 -0.297 0.000 0.765 128 P CB 0.800 32.262 31.700 -0.397 0.000 0.823 129 A N 3.776 126.651 122.820 0.093 0.000 1.986 129 A HA -0.285 4.036 4.320 0.001 0.000 0.220 129 A C 1.822 179.601 177.584 0.326 0.000 1.171 129 A CA 1.768 53.930 52.037 0.209 0.000 0.640 129 A CB -1.077 17.973 19.000 0.083 0.000 0.811 129 A HN 0.674 nan 8.150 nan 0.000 0.451 130 Q N -1.583 118.371 119.800 0.257 0.000 2.226 130 Q HA -0.194 4.146 4.340 0.001 0.000 0.204 130 Q C 1.398 177.606 176.000 0.346 0.000 0.975 130 Q CA 1.345 57.311 55.803 0.272 0.000 0.866 130 Q CB -0.352 28.534 28.738 0.246 0.000 0.915 130 Q HN 0.858 nan 8.270 nan 0.000 0.440 131 W N -0.487 120.823 121.300 0.017 0.000 2.721 131 W HA 0.034 4.695 4.660 0.001 0.000 0.245 131 W C 0.562 176.821 176.519 -0.433 0.000 1.276 131 W CA 0.231 57.444 57.345 -0.220 0.000 1.342 131 W CB -0.323 28.928 29.460 -0.347 0.000 1.135 131 W HN 0.129 nan 8.180 nan 0.000 0.654 132 F N -0.447 119.637 119.950 0.223 0.000 2.653 132 F HA 0.198 4.726 4.527 0.001 0.000 0.304 132 F C 0.949 176.802 175.800 0.088 0.000 1.092 132 F CA -0.379 57.701 58.000 0.133 0.000 1.279 132 F CB -0.290 38.772 39.000 0.102 0.000 1.044 132 F HN -0.282 nan 8.300 nan 0.000 0.564 133 E N 0.059 120.375 120.200 0.193 0.000 2.345 133 E HA 0.073 4.423 4.350 0.001 0.000 0.259 133 E C 1.272 177.914 176.600 0.070 0.000 1.117 133 E CA 0.374 56.847 56.400 0.122 0.000 0.913 133 E CB 0.864 30.628 29.700 0.106 0.000 1.057 133 E HN 0.105 nan 8.360 nan 0.000 0.432 134 S N -0.118 115.615 115.700 0.055 0.000 2.469 134 S HA -0.181 4.290 4.470 0.001 0.000 0.238 134 S C 1.761 176.368 174.600 0.012 0.000 0.998 134 S CA 1.550 59.770 58.200 0.034 0.000 0.957 134 S CB -0.733 62.486 63.200 0.032 0.000 0.764 134 S HN 0.680 nan 8.310 nan 0.000 0.514 135 T N -1.521 113.037 114.554 0.007 0.000 3.051 135 T HA 0.053 4.404 4.350 0.001 0.000 0.269 135 T C 0.662 175.330 174.700 -0.053 0.000 1.127 135 T CA 0.837 62.927 62.100 -0.017 0.000 1.107 135 T CB -0.658 68.203 68.868 -0.011 0.000 0.898 135 T HN 0.342 nan 8.240 nan 0.000 0.517 136 T N 1.265 115.782 114.554 -0.061 0.000 2.794 136 T HA 0.692 5.042 4.350 0.001 0.000 0.280 136 T C 1.125 175.777 174.700 -0.080 0.000 0.987 136 T CA -0.268 61.762 62.100 -0.116 0.000 0.993 136 T CB 1.624 70.385 68.868 -0.179 0.000 0.939 136 T HN 0.219 nan 8.240 nan 0.000 0.449 137 A N 2.435 125.205 122.820 -0.083 0.000 2.044 137 A HA 0.745 5.066 4.320 0.001 0.000 0.213 137 A C 1.001 178.558 177.584 -0.044 0.000 1.169 137 A CA 0.560 52.569 52.037 -0.048 0.000 0.724 137 A CB 0.110 19.085 19.000 -0.042 0.000 0.840 137 A HN 1.021 nan 8.150 nan 0.000 0.463 138 A N -1.487 121.287 122.820 -0.075 0.000 2.597 138 A HA 0.593 4.914 4.320 0.001 0.000 0.292 138 A C -2.096 175.434 177.584 -0.089 0.000 1.057 138 A CA -0.431 51.574 52.037 -0.053 0.000 0.674 138 A CB 0.550 19.532 19.000 -0.030 0.000 1.278 138 A HN 0.241 nan 8.150 nan 0.000 0.416 139 L N 1.003 122.202 121.223 -0.041 0.000 2.362 139 L HA 0.760 5.101 4.340 0.001 0.000 0.275 139 L C -0.013 176.874 176.870 0.030 0.000 0.998 139 L CA 0.011 54.837 54.840 -0.023 0.000 0.820 139 L CB 1.594 43.674 42.059 0.036 0.000 1.270 139 L HN 0.755 nan 8.230 nan 0.000 0.415 140 T N 4.428 118.990 114.554 0.013 0.000 2.792 140 T HA 0.511 4.861 4.350 0.001 0.000 0.280 140 T C -0.503 174.227 174.700 0.050 0.000 0.990 140 T CA -0.374 61.745 62.100 0.033 0.000 0.960 140 T CB 1.286 70.144 68.868 -0.017 0.000 0.939 140 T HN 0.326 nan 8.240 nan 0.000 0.439 141 L N 4.199 125.484 121.223 0.104 0.000 2.282 141 L HA 0.611 4.952 4.340 0.001 0.000 0.288 141 L C -0.052 176.853 176.870 0.058 0.000 1.033 141 L CA -0.688 54.188 54.840 0.061 0.000 0.807 141 L CB 0.936 43.089 42.059 0.156 0.000 1.209 141 L HN 0.521 nan 8.230 nan 0.000 0.423 142 R N 4.491 124.921 120.500 -0.116 0.000 2.480 142 R HA 0.458 4.798 4.340 0.001 0.000 0.306 142 R C -1.831 174.293 176.300 -0.294 0.000 0.958 142 R CA -0.518 55.529 56.100 -0.087 0.000 0.861 142 R CB 1.302 31.564 30.300 -0.063 0.000 1.171 142 R HN 0.405 nan 8.270 nan 0.000 0.445 143 F N 2.881 122.849 119.950 0.031 0.000 2.427 143 F HA 0.264 4.792 4.527 0.001 0.000 0.346 143 F C 1.007 176.723 175.800 -0.140 0.000 1.120 143 F CA -0.556 57.396 58.000 -0.079 0.000 1.033 143 F CB 1.872 40.818 39.000 -0.090 0.000 1.126 143 F HN 0.514 nan 8.300 nan 0.000 0.462 144 D N 2.091 122.432 120.400 -0.098 0.000 2.354 144 D HA 0.195 4.836 4.640 0.001 0.000 0.209 144 D C 0.630 176.736 176.300 -0.323 0.000 1.015 144 D CA 0.559 54.424 54.000 -0.224 0.000 0.867 144 D CB 0.825 41.418 40.800 -0.345 0.000 0.933 144 D HN 0.699 nan 8.370 nan 0.000 0.520 145 G N 0.050 108.616 108.800 -0.391 0.000 2.405 145 G HA2 0.374 4.335 3.960 0.001 0.000 0.312 145 G HA3 0.374 4.335 3.960 0.001 0.000 0.312 145 G C -1.532 172.992 174.900 -0.626 0.000 1.579 145 G CA -0.496 44.240 45.100 -0.608 0.000 0.933 145 G HN -0.062 nan 8.290 nan 0.000 0.628 146 V N 1.312 121.130 119.914 -0.160 0.000 2.711 146 V HA 0.585 4.705 4.120 0.001 0.000 0.304 146 V C -0.423 175.807 176.094 0.227 0.000 1.097 146 V CA -0.810 61.450 62.300 -0.067 0.000 0.906 146 V CB 1.956 33.456 31.823 -0.537 0.000 1.015 146 V HN 0.925 nan 8.190 nan 0.000 0.427 147 E N 2.901 123.248 120.200 0.245 0.000 2.145 147 E HA 0.624 4.975 4.350 0.001 0.000 0.270 147 E C 0.335 176.990 176.600 0.091 0.000 0.906 147 E CA -0.077 56.409 56.400 0.143 0.000 0.761 147 E CB 1.739 31.432 29.700 -0.011 0.000 1.116 147 E HN 0.830 nan 8.360 nan 0.000 0.408 148 S N 4.524 120.331 115.700 0.178 0.000 3.325 148 S HA 0.301 4.771 4.470 0.001 0.000 0.174 148 S C 0.637 175.425 174.600 0.313 0.000 0.791 148 S CA -0.572 57.773 58.200 0.242 0.000 1.138 148 S CB -0.139 63.219 63.200 0.264 0.000 0.696 148 S HN 0.523 nan 8.310 nan 0.000 0.698 149 R N 0.958 121.645 120.500 0.313 0.000 2.643 149 R HA 0.383 4.724 4.340 0.001 0.000 0.270 149 R C -1.258 175.273 176.300 0.386 0.000 1.061 149 R CA -0.205 56.074 56.100 0.299 0.000 1.107 149 R CB 0.143 30.601 30.300 0.263 0.000 0.999 149 R HN 0.710 nan 8.270 nan 0.000 0.460 150 Y N -0.308 120.061 120.300 0.114 0.000 2.562 150 Y HA 0.505 5.056 4.550 0.001 0.000 0.345 150 Y C -1.334 174.479 175.900 -0.145 0.000 1.045 150 Y CA -1.379 56.721 58.100 0.001 0.000 1.028 150 Y CB 1.287 39.652 38.460 -0.158 0.000 1.297 150 Y HN 0.439 nan 8.280 nan 0.000 0.463 151 K N 1.884 122.185 120.400 -0.166 0.000 2.259 151 K HA 0.785 5.106 4.320 0.001 0.000 0.252 151 K C -2.052 174.190 176.600 -0.597 0.000 0.936 151 K CA -0.852 55.064 56.287 -0.618 0.000 0.810 151 K CB 2.041 33.980 32.500 -0.934 0.000 1.143 151 K HN 0.715 nan 8.250 nan 0.000 0.427 152 V N 4.464 123.911 119.914 -0.778 0.000 2.487 152 V HA 0.510 4.630 4.120 0.001 0.000 0.298 152 V C -0.894 174.916 176.094 -0.473 0.000 1.028 152 V CA -0.735 61.315 62.300 -0.418 0.000 0.860 152 V CB 1.146 32.703 31.823 -0.443 0.000 0.991 152 V HN 0.714 nan 8.190 nan 0.000 0.427 153 W N 3.010 124.307 121.300 -0.006 0.000 2.819 153 W HA 0.740 5.401 4.660 0.002 0.000 0.337 153 W C -1.192 175.361 176.519 0.056 0.000 1.077 153 W CA -0.770 56.576 57.345 0.001 0.000 1.226 153 W CB 2.289 31.746 29.460 -0.006 0.000 1.419 153 W HN 0.248 nan 8.180 nan 0.000 0.502 154 V N 3.552 123.633 119.914 0.279 0.000 2.483 154 V HA 0.139 4.259 4.120 0.001 0.000 0.297 154 V C 0.113 176.301 176.094 0.158 0.000 1.027 154 V CA -0.850 61.583 62.300 0.221 0.000 0.855 154 V CB 1.352 33.302 31.823 0.212 0.000 0.995 154 V HN 0.693 nan 8.190 nan 0.000 0.424 155 N N 4.214 122.976 118.700 0.102 0.000 2.721 155 N HA -0.223 4.517 4.740 0.001 0.000 0.249 155 N C 1.205 176.746 175.510 0.050 0.000 1.072 155 N CA 1.612 54.685 53.050 0.039 0.000 0.710 155 N CB -1.045 37.452 38.487 0.015 0.000 0.993 155 N HN 1.522 nan 8.380 nan 0.000 0.547 156 G N -1.315 107.528 108.800 0.071 0.000 2.205 156 G HA2 -0.349 3.611 3.960 0.001 0.000 0.261 156 G HA3 -0.349 3.611 3.960 0.001 0.000 0.261 156 G C -0.085 174.907 174.900 0.153 0.000 0.980 156 G CA 0.600 45.730 45.100 0.051 0.000 0.632 156 G HN 0.549 nan 8.290 nan 0.000 0.533 157 Q N 0.593 120.505 119.800 0.188 0.000 2.256 157 Q HA 0.431 4.771 4.340 0.001 0.000 0.254 157 Q C 0.082 176.233 176.000 0.250 0.000 0.916 157 Q CA -0.418 55.498 55.803 0.188 0.000 0.932 157 Q CB 1.439 30.247 28.738 0.118 0.000 1.207 157 Q HN 0.496 nan 8.270 nan 0.000 0.426 158 E N 2.948 123.269 120.200 0.202 0.000 2.366 158 E HA -0.033 4.318 4.350 0.001 0.000 0.266 158 E C 0.191 176.694 176.600 -0.162 0.000 1.015 158 E CA -0.106 56.224 56.400 -0.116 0.000 0.906 158 E CB 0.561 30.169 29.700 -0.154 0.000 0.979 158 E HN 0.555 nan 8.360 nan 0.000 0.443 159 I N 2.862 123.254 120.570 -0.296 0.000 3.039 159 I HA 0.273 4.443 4.170 0.001 0.000 0.270 159 I C 1.181 177.117 176.117 -0.301 0.000 1.150 159 I CA 0.945 62.107 61.300 -0.231 0.000 1.448 159 I CB -0.388 37.477 38.000 -0.225 0.000 1.197 159 I HN 0.667 nan 8.210 nan 0.000 0.450 160 G N 0.156 108.635 108.800 -0.535 0.000 2.317 160 G HA2 0.412 4.372 3.960 0.001 0.000 0.293 160 G HA3 0.412 4.372 3.960 0.001 0.000 0.293 160 G C -1.920 172.647 174.900 -0.556 0.000 1.287 160 G CA -0.414 44.449 45.100 -0.396 0.000 0.850 160 G HN -0.203 nan 8.290 nan 0.000 0.515 161 V N 0.117 119.853 119.914 -0.296 0.000 2.638 161 V HA 0.811 4.931 4.120 0.001 0.000 0.306 161 V C 0.633 176.562 176.094 -0.276 0.000 1.052 161 V CA 0.139 62.206 62.300 -0.389 0.000 0.885 161 V CB 1.625 33.276 31.823 -0.287 0.000 0.999 161 V HN 1.474 nan 8.190 nan 0.000 0.424 162 G N 2.084 110.431 108.800 -0.755 0.000 2.420 162 G HA2 0.714 4.674 3.960 0.001 0.000 0.331 162 G HA3 0.714 4.674 3.960 0.001 0.000 0.331 162 G C -0.808 173.823 174.900 -0.449 0.000 1.168 162 G CA -0.381 44.281 45.100 -0.730 0.000 0.936 162 G HN 0.645 nan 8.290 nan 0.000 0.479 163 S N -1.646 113.988 115.700 -0.111 0.000 2.618 163 S HA 0.820 5.290 4.470 0.001 0.000 0.277 163 S C 0.009 174.663 174.600 0.091 0.000 1.138 163 S CA 0.369 58.595 58.200 0.045 0.000 0.844 163 S CB 1.819 65.050 63.200 0.051 0.000 1.127 163 S HN 2.190 nan 8.310 nan 0.000 0.474 164 G N 1.300 110.176 108.800 0.126 0.000 2.830 164 G HA2 -0.141 3.819 3.960 0.001 0.000 0.298 164 G HA3 -0.141 3.819 3.960 0.001 0.000 0.298 164 G C 0.385 175.361 174.900 0.126 0.000 1.031 164 G CA 0.013 45.175 45.100 0.104 0.000 1.179 164 G HN 0.577 nan 8.290 nan 0.000 0.527 165 S N 0.533 116.317 115.700 0.140 0.000 2.399 165 S HA -0.078 4.392 4.470 0.001 0.000 0.231 165 S C 2.147 176.863 174.600 0.192 0.000 1.022 165 S CA 1.504 59.812 58.200 0.180 0.000 0.983 165 S CB -0.012 63.273 63.200 0.142 0.000 0.803 165 S HN 0.610 nan 8.310 nan 0.000 0.480 166 R N 0.376 120.924 120.500 0.080 0.000 2.507 166 R HA 0.420 4.761 4.340 0.001 0.000 0.298 166 R C -0.510 175.797 176.300 0.012 0.000 0.999 166 R CA 0.032 56.165 56.100 0.056 0.000 1.082 166 R CB -0.024 30.194 30.300 -0.136 0.000 1.246 166 R HN 0.306 nan 8.270 nan 0.000 0.553 167 L N -0.164 121.066 121.223 0.012 0.000 2.331 167 L HA 0.667 5.008 4.340 0.001 0.000 0.275 167 L C 0.297 177.145 176.870 -0.037 0.000 1.022 167 L CA -1.371 53.456 54.840 -0.021 0.000 0.812 167 L CB 1.570 43.619 42.059 -0.017 0.000 1.257 167 L HN 0.002 nan 8.230 nan 0.000 0.435 168 A N 1.919 124.699 122.820 -0.066 0.000 2.322 168 A HA 0.568 4.889 4.320 0.001 0.000 0.269 168 A C -0.531 177.036 177.584 -0.028 0.000 1.094 168 A CA -0.124 51.882 52.037 -0.051 0.000 0.807 168 A CB 1.147 20.104 19.000 -0.072 0.000 1.047 168 A HN 0.656 nan 8.150 nan 0.000 0.487 169 Q N 0.489 120.302 119.800 0.022 0.000 2.289 169 Q HA 0.459 4.800 4.340 0.001 0.000 0.270 169 Q C -1.419 174.535 176.000 -0.077 0.000 1.038 169 Q CA -0.095 55.661 55.803 -0.077 0.000 0.812 169 Q CB 1.514 30.216 28.738 -0.060 0.000 1.300 169 Q HN 0.760 nan 8.270 nan 0.000 0.427 170 E N 2.798 122.858 120.200 -0.232 0.000 2.207 170 E HA 0.595 4.945 4.350 0.001 0.000 0.270 170 E C -0.962 175.424 176.600 -0.358 0.000 0.927 170 E CA -0.622 55.689 56.400 -0.149 0.000 0.799 170 E CB 1.566 31.224 29.700 -0.071 0.000 1.172 170 E HN 0.420 nan 8.360 nan 0.000 0.404 171 F N 0.477 120.491 119.950 0.106 0.000 2.577 171 F HA 0.213 4.741 4.527 0.001 0.000 0.318 171 F C 0.045 175.882 175.800 0.062 0.000 1.065 171 F CA -1.044 57.008 58.000 0.086 0.000 0.929 171 F CB 1.541 40.619 39.000 0.130 0.000 1.237 171 F HN 0.282 nan 8.300 nan 0.000 0.468 172 D N 1.477 122.019 120.400 0.237 0.000 2.347 172 D HA 0.282 4.923 4.640 0.001 0.000 0.235 172 D C 0.273 176.669 176.300 0.159 0.000 1.149 172 D CA -0.117 53.970 54.000 0.146 0.000 0.850 172 D CB 1.398 42.255 40.800 0.095 0.000 1.061 172 D HN 0.359 nan 8.370 nan 0.000 0.487 173 V N 1.336 121.342 119.914 0.154 0.000 3.271 173 V HA 0.157 4.277 4.120 0.001 0.000 0.327 173 V C 1.608 177.796 176.094 0.156 0.000 1.389 173 V CA -0.129 62.268 62.300 0.162 0.000 1.156 173 V CB -0.109 31.829 31.823 0.192 0.000 1.103 173 V HN 0.319 nan 8.190 nan 0.000 0.453 174 S N 1.813 117.586 115.700 0.122 0.000 2.372 174 S HA -0.233 4.238 4.470 0.001 0.000 0.227 174 S C 1.514 176.210 174.600 0.160 0.000 1.044 174 S CA 2.410 60.680 58.200 0.116 0.000 1.050 174 S CB -0.357 62.888 63.200 0.075 0.000 0.901 174 S HN 0.739 nan 8.310 nan 0.000 0.447 175 D N 0.712 121.191 120.400 0.132 0.000 2.347 175 D HA 0.217 4.857 4.640 0.001 0.000 0.215 175 D C 1.695 178.074 176.300 0.131 0.000 0.976 175 D CA 0.736 54.811 54.000 0.125 0.000 0.884 175 D CB -0.083 40.772 40.800 0.091 0.000 0.915 175 D HN 0.433 nan 8.370 nan 0.000 0.526 176 A N 0.015 122.924 122.820 0.147 0.000 2.014 176 A HA 0.180 4.500 4.320 0.001 0.000 0.210 176 A C 1.196 178.871 177.584 0.152 0.000 1.188 176 A CA -0.073 52.044 52.037 0.134 0.000 0.731 176 A CB 0.014 19.093 19.000 0.132 0.000 0.858 176 A HN 0.082 nan 8.150 nan 0.000 0.464 177 L N 0.501 121.865 121.223 0.235 0.000 2.464 177 L HA 0.326 4.666 4.340 0.001 0.000 0.264 177 L C 0.431 177.451 176.870 0.249 0.000 1.199 177 L CA -0.115 54.901 54.840 0.295 0.000 0.818 177 L CB 0.489 42.817 42.059 0.448 0.000 1.102 177 L HN 0.323 nan 8.230 nan 0.000 0.473 178 R N 0.572 121.093 120.500 0.035 0.000 2.867 178 R HA 0.638 4.979 4.340 0.001 0.000 0.268 178 R C -0.885 175.047 176.300 -0.613 0.000 1.014 178 R CA -1.007 54.834 56.100 -0.432 0.000 0.946 178 R CB 1.793 31.929 30.300 -0.273 0.000 1.208 178 R HN 0.690 nan 8.270 nan 0.000 0.477 179 A N 0.908 123.126 122.820 -1.004 0.000 2.462 179 A HA 0.515 4.835 4.320 0.001 0.000 0.243 179 A C 0.859 178.301 177.584 -0.236 0.000 1.076 179 A CA 1.088 52.861 52.037 -0.440 0.000 0.773 179 A CB -0.319 18.473 19.000 -0.347 0.000 1.010 179 A HN 0.918 nan 8.150 nan 0.000 0.493 180 G N 1.174 109.886 108.800 -0.147 0.000 2.503 180 G HA2 -0.097 3.863 3.960 0.001 0.000 0.235 180 G HA3 -0.097 3.863 3.960 0.001 0.000 0.235 180 G C 0.235 175.018 174.900 -0.194 0.000 1.179 180 G CA -0.022 44.988 45.100 -0.150 0.000 0.944 180 G HN 1.584 nan 8.290 nan 0.000 0.580 181 S N 2.227 117.805 115.700 -0.203 0.000 2.528 181 S HA 0.545 5.015 4.470 0.001 0.000 0.277 181 S C 0.238 174.630 174.600 -0.347 0.000 1.297 181 S CA -0.298 57.746 58.200 -0.261 0.000 1.052 181 S CB 0.605 63.688 63.200 -0.195 0.000 0.917 181 S HN 0.637 nan 8.310 nan 0.000 0.492 182 N N 1.131 119.477 118.700 -0.590 0.000 2.321 182 N HA 0.532 5.272 4.740 0.001 0.000 0.290 182 N C -1.604 173.507 175.510 -0.666 0.000 1.212 182 N CA -0.705 51.926 53.050 -0.698 0.000 0.767 182 N CB 2.058 39.943 38.487 -1.004 0.000 1.494 182 N HN 0.356 nan 8.380 nan 0.000 0.479 183 L N 1.587 122.619 121.223 -0.319 0.000 2.362 183 L HA 0.583 4.923 4.340 0.001 0.000 0.275 183 L C -1.614 175.333 176.870 0.129 0.000 0.998 183 L CA -0.716 54.068 54.840 -0.094 0.000 0.820 183 L CB 1.428 43.447 42.059 -0.066 0.000 1.270 183 L HN 0.454 nan 8.230 nan 0.000 0.415 184 L N 6.269 127.642 121.223 0.250 0.000 2.333 184 L HA 0.774 5.115 4.340 0.001 0.000 0.280 184 L C -1.422 175.613 176.870 0.275 0.000 1.004 184 L CA -0.306 54.715 54.840 0.303 0.000 0.820 184 L CB 1.906 44.147 42.059 0.303 0.000 1.247 184 L HN 0.408 nan 8.230 nan 0.000 0.416 185 V N 5.700 125.827 119.914 0.355 0.000 2.487 185 V HA 0.655 4.775 4.120 0.001 0.000 0.298 185 V C -0.657 175.786 176.094 0.581 0.000 1.028 185 V CA -0.619 61.927 62.300 0.410 0.000 0.860 185 V CB 1.959 33.908 31.823 0.209 0.000 0.991 185 V HN 0.548 nan 8.190 nan 0.000 0.427 186 V N 5.123 125.393 119.914 0.594 0.000 2.531 186 V HA 0.546 4.667 4.120 0.001 0.000 0.301 186 V C -0.138 176.259 176.094 0.505 0.000 1.034 186 V CA -0.796 61.794 62.300 0.482 0.000 0.865 186 V CB 1.928 33.942 31.823 0.319 0.000 0.995 186 V HN 0.882 nan 8.190 nan 0.000 0.424 187 R N 3.701 124.464 120.500 0.438 0.000 2.295 187 R HA 0.739 5.080 4.340 0.001 0.000 0.324 187 R C -1.562 174.836 176.300 0.163 0.000 0.968 187 R CA -0.306 55.984 56.100 0.318 0.000 0.837 187 R CB 1.577 32.094 30.300 0.361 0.000 1.133 187 R HN 0.551 nan 8.270 nan 0.000 0.450 188 V N 5.000 125.031 119.914 0.196 0.000 2.459 188 V HA 0.342 4.462 4.120 0.001 0.000 0.295 188 V C -0.294 175.890 176.094 0.150 0.000 1.029 188 V CA -0.817 61.638 62.300 0.257 0.000 0.874 188 V CB 1.532 33.649 31.823 0.490 0.000 0.985 188 V HN 0.775 nan 8.190 nan 0.000 0.438 189 H N 3.345 122.637 119.070 0.370 0.000 2.458 189 H HA 0.276 4.832 4.556 0.001 0.000 0.330 189 H C 0.596 176.050 175.328 0.210 0.000 1.111 189 H CA -0.274 55.944 56.048 0.284 0.000 1.245 189 H CB 2.379 32.265 29.762 0.206 0.000 1.456 189 H HN 0.757 nan 8.280 nan 0.000 0.488 190 Q N 3.168 123.097 119.800 0.214 0.000 2.020 190 Q HA -0.093 4.248 4.340 0.001 0.000 0.202 190 Q C -0.313 175.555 176.000 -0.220 0.000 0.982 190 Q CA 1.338 57.022 55.803 -0.199 0.000 0.838 190 Q CB 0.313 28.675 28.738 -0.625 0.000 0.899 190 Q HN 0.565 nan 8.270 nan 0.000 0.423 191 W N 0.848 122.221 121.300 0.122 0.000 2.496 191 W HA 0.465 5.125 4.660 0.000 0.000 0.327 191 W C -0.128 176.360 176.519 -0.053 0.000 1.086 191 W CA -0.706 56.598 57.345 -0.067 0.000 1.222 191 W CB 1.489 30.806 29.460 -0.238 0.000 1.304 191 W HN 0.109 nan 8.180 nan 0.000 0.547 192 S N 0.132 115.929 115.700 0.161 0.000 0.000 192 S HA 0.625 5.095 4.470 0.001 0.000 0.000 192 S C 0.404 175.075 174.600 0.117 0.000 0.000 192 S CA -0.336 57.917 58.200 0.089 0.000 0.000 192 S CB 0.919 64.202 63.200 0.139 0.000 0.000 192 S HN 0.708 nan 8.310 nan 0.000 0.000 193 A N 0.650 123.568 122.820 0.164 0.000 1.978 193 A HA 0.207 4.527 4.320 0.001 0.000 0.220 193 A C 2.244 180.151 177.584 0.538 0.000 1.170 193 A CA 2.200 54.462 52.037 0.375 0.000 0.636 193 A CB -1.622 17.499 19.000 0.202 0.000 0.810 193 A HN 1.622 nan 8.150 nan 0.000 0.448 194 A N -0.563 122.480 122.820 0.371 0.000 2.067 194 A HA 0.006 4.327 4.320 0.001 0.000 0.219 194 A C 2.294 180.099 177.584 0.368 0.000 1.158 194 A CA 1.674 53.928 52.037 0.361 0.000 0.661 194 A CB -0.667 18.496 19.000 0.271 0.000 0.801 194 A HN 0.457 nan 8.150 nan 0.000 0.452 195 S N -1.104 114.807 115.700 0.352 0.000 2.419 195 S HA -0.173 4.298 4.470 0.001 0.000 0.233 195 S C 1.560 176.505 174.600 0.574 0.000 1.016 195 S CA 1.316 59.803 58.200 0.480 0.000 0.974 195 S CB -0.594 62.805 63.200 0.330 0.000 0.786 195 S HN 0.731 nan 8.310 nan 0.000 0.492 196 Y N 1.324 121.871 120.300 0.411 0.000 2.403 196 Y HA 0.043 4.594 4.550 0.001 0.000 0.291 196 Y C 1.702 177.818 175.900 0.361 0.000 1.143 196 Y CA 0.657 58.985 58.100 0.380 0.000 1.257 196 Y CB -0.290 38.264 38.460 0.157 0.000 0.984 196 Y HN 0.205 nan 8.280 nan 0.000 0.550 197 L N -0.551 120.873 121.223 0.335 0.000 2.607 197 L HA 0.088 4.429 4.340 0.001 0.000 0.228 197 L C 0.111 177.127 176.870 0.243 0.000 1.123 197 L CA 0.512 55.457 54.840 0.175 0.000 0.890 197 L CB 0.064 42.162 42.059 0.065 0.000 1.103 197 L HN 0.104 nan 8.230 nan 0.000 0.468 198 E N -0.105 120.313 120.200 0.363 0.000 3.846 198 E HA 0.038 4.389 4.350 0.001 0.000 0.216 198 E C -0.506 176.213 176.600 0.198 0.000 1.092 198 E CA -0.082 56.481 56.400 0.271 0.000 1.370 198 E CB 0.465 30.329 29.700 0.274 0.000 1.227 198 E HN 0.010 nan 8.360 nan 0.000 0.442 199 D N 1.162 121.679 120.400 0.195 0.000 2.889 199 D HA 0.035 4.676 4.640 0.001 0.000 0.243 199 D C -0.255 175.978 176.300 -0.111 0.000 1.270 199 D CA -0.154 53.852 54.000 0.009 0.000 0.838 199 D CB 0.088 40.788 40.800 -0.167 0.000 1.040 199 D HN 0.077 nan 8.370 nan 0.000 0.480 200 Q N 0.436 120.164 119.800 -0.120 0.000 2.432 200 Q HA 0.104 4.445 4.340 0.001 0.000 0.264 200 Q C -0.067 175.879 176.000 -0.091 0.000 1.035 200 Q CA 0.100 55.895 55.803 -0.013 0.000 0.908 200 Q CB 0.564 29.363 28.738 0.101 0.000 1.280 200 Q HN 0.078 nan 8.270 nan 0.000 0.455 201 D N 2.705 123.150 120.400 0.074 0.000 2.441 201 D HA 0.016 4.656 4.640 0.001 0.000 0.243 201 D C -0.890 175.548 176.300 0.231 0.000 1.257 201 D CA 0.245 54.327 54.000 0.138 0.000 1.027 201 D CB -0.321 40.610 40.800 0.219 0.000 1.084 201 D HN 0.490 nan 8.370 nan 0.000 0.514 202 Q N 1.406 121.277 119.800 0.118 0.000 2.943 202 Q HA 0.215 4.555 4.340 0.001 0.000 0.305 202 Q C -1.228 174.792 176.000 0.033 0.000 0.873 202 Q CA -1.160 54.669 55.803 0.043 0.000 0.773 202 Q CB 0.048 28.709 28.738 -0.129 0.000 1.501 202 Q HN 0.172 nan 8.270 nan 0.000 0.442 203 W N 0.470 121.826 121.300 0.094 0.000 2.181 203 W HA 0.343 5.004 4.660 0.001 0.000 0.335 203 W C -0.456 176.022 176.519 -0.068 0.000 1.310 203 W CA 0.098 57.519 57.345 0.127 0.000 1.226 203 W CB 0.405 29.905 29.460 0.068 0.000 1.155 203 W HN 0.443 nan 8.180 nan 0.000 0.565 204 W N 4.701 126.201 121.300 0.334 0.000 2.388 204 W HA 0.453 5.113 4.660 0.000 0.000 0.308 204 W C -0.474 176.032 176.519 -0.021 0.000 1.263 204 W CA -0.523 56.917 57.345 0.158 0.000 1.286 204 W CB 0.031 29.658 29.460 0.278 0.000 1.294 204 W HN -0.099 nan 8.180 nan 0.000 0.493 205 L N 7.184 128.380 121.223 -0.045 0.000 2.490 205 L HA 0.314 4.654 4.340 0.001 0.000 0.256 205 L C -2.144 174.527 176.870 -0.332 0.000 1.089 205 L CA -2.103 52.529 54.840 -0.345 0.000 0.916 205 L CB 1.065 42.619 42.059 -0.841 0.000 1.188 205 L HN 0.083 nan 8.230 nan 0.000 0.476 206 P HA 0.506 nan 4.420 nan 0.000 0.274 206 P C 0.139 176.945 177.300 -0.822 0.000 1.237 206 P CA 0.213 62.892 63.100 -0.701 0.000 0.793 206 P CB 1.807 32.843 31.700 -1.107 0.000 0.977 207 G N 0.297 108.794 108.800 -0.506 0.000 2.347 207 G HA2 0.023 3.983 3.960 0.001 0.000 0.477 207 G HA3 0.023 3.983 3.960 0.001 0.000 0.477 207 G C -1.274 173.599 174.900 -0.045 0.000 1.349 207 G CA -0.896 44.128 45.100 -0.126 0.000 1.000 207 G HN 0.416 nan 8.290 nan 0.000 0.605 208 I N 2.071 122.501 120.570 -0.233 0.000 2.260 208 I HA 0.248 4.418 4.170 0.001 0.000 0.297 208 I C 1.181 177.113 176.117 -0.308 0.000 1.143 208 I CA -0.207 60.849 61.300 -0.407 0.000 1.271 208 I CB -0.234 37.300 38.000 -0.776 0.000 1.461 208 I HN 0.505 nan 8.210 nan 0.000 0.530 209 F N 4.053 123.792 119.950 -0.350 0.000 2.695 209 F HA 0.460 4.987 4.527 0.000 0.000 0.303 209 F C 0.778 176.447 175.800 -0.219 0.000 1.091 209 F CA -0.569 57.185 58.000 -0.410 0.000 1.300 209 F CB 0.066 38.667 39.000 -0.665 0.000 1.071 209 F HN 0.125 nan 8.300 nan 0.000 0.578 210 R N 0.473 120.514 120.500 -0.766 0.000 2.950 210 R HA 0.300 4.640 4.340 0.001 0.000 0.253 210 R C -0.986 175.142 176.300 -0.287 0.000 1.168 210 R CA -1.159 54.673 56.100 -0.447 0.000 1.014 210 R CB 0.606 30.568 30.300 -0.563 0.000 1.228 210 R HN -0.004 nan 8.270 nan 0.000 0.487 211 D N 0.365 120.669 120.400 -0.160 0.000 2.449 211 D HA 0.144 4.784 4.640 0.001 0.000 0.236 211 D C -0.738 175.462 176.300 -0.168 0.000 1.149 211 D CA 0.379 54.319 54.000 -0.100 0.000 0.878 211 D CB 0.608 41.403 40.800 -0.008 0.000 1.198 211 D HN -0.026 nan 8.370 nan 0.000 0.446 212 V N 1.610 121.433 119.914 -0.152 0.000 2.444 212 V HA 0.582 4.702 4.120 0.001 0.000 0.294 212 V C 0.181 176.168 176.094 -0.178 0.000 1.022 212 V CA -0.648 61.489 62.300 -0.272 0.000 0.850 212 V CB 1.353 33.059 31.823 -0.194 0.000 0.992 212 V HN 0.810 nan 8.190 nan 0.000 0.426 213 T N 2.722 117.147 114.554 -0.215 0.000 2.896 213 T HA 0.805 5.155 4.350 0.001 0.000 0.297 213 T C -0.989 173.638 174.700 -0.121 0.000 1.108 213 T CA -0.763 61.267 62.100 -0.117 0.000 1.004 213 T CB 2.013 70.855 68.868 -0.044 0.000 1.159 213 T HN 0.358 nan 8.240 nan 0.000 0.499 214 L N 1.106 122.307 121.223 -0.036 0.000 2.346 214 L HA 0.620 4.961 4.340 0.001 0.000 0.276 214 L C -0.457 176.465 176.870 0.086 0.000 1.006 214 L CA -0.729 54.142 54.840 0.051 0.000 0.817 214 L CB 2.081 44.233 42.059 0.155 0.000 1.272 214 L HN 0.776 nan 8.230 nan 0.000 0.421 215 Q N 2.154 121.945 119.800 -0.016 0.000 2.347 215 Q HA 0.612 4.953 4.340 0.001 0.000 0.271 215 Q C -1.222 174.571 176.000 -0.346 0.000 1.064 215 Q CA -0.752 54.941 55.803 -0.183 0.000 0.800 215 Q CB 2.401 31.049 28.738 -0.151 0.000 1.304 215 Q HN 0.723 nan 8.270 nan 0.000 0.438 216 A N 4.603 126.985 122.820 -0.729 0.000 2.391 216 A HA 0.371 4.692 4.320 0.001 0.000 0.316 216 A C -0.408 176.898 177.584 -0.462 0.000 1.381 216 A CA -0.585 50.990 52.037 -0.770 0.000 0.998 216 A CB 0.170 18.271 19.000 -1.498 0.000 1.147 216 A HN 0.584 nan 8.150 nan 0.000 0.545 217 R N 2.924 123.251 120.500 -0.288 0.000 2.399 217 R HA 0.160 4.500 4.340 0.001 0.000 0.324 217 R C -2.795 173.393 176.300 -0.187 0.000 1.030 217 R CA -1.790 54.192 56.100 -0.197 0.000 0.984 217 R CB -0.402 29.820 30.300 -0.130 0.000 0.961 217 R HN 0.405 nan 8.270 nan 0.000 0.433 218 P HA 0.008 nan 4.420 nan 0.000 0.268 218 P C -0.480 176.763 177.300 -0.095 0.000 1.205 218 P CA -0.059 62.957 63.100 -0.140 0.000 0.771 218 P CB 0.653 32.276 31.700 -0.128 0.000 0.858 219 A N 3.324 126.100 122.820 -0.074 0.000 2.520 219 A HA 0.428 4.748 4.320 0.001 0.000 0.245 219 A C 1.468 179.028 177.584 -0.041 0.000 1.072 219 A CA 0.600 52.610 52.037 -0.045 0.000 0.761 219 A CB -1.363 17.620 19.000 -0.028 0.000 1.004 219 A HN 0.878 nan 8.150 nan 0.000 0.499 220 G N 1.893 110.674 108.800 -0.031 0.000 2.198 220 G HA2 0.014 3.975 3.960 0.001 0.000 0.260 220 G HA3 0.014 3.975 3.960 0.001 0.000 0.260 220 G C 0.776 175.635 174.900 -0.068 0.000 1.025 220 G CA 0.807 45.885 45.100 -0.036 0.000 0.769 220 G HN 1.776 nan 8.290 nan 0.000 0.507 221 G N -1.110 107.646 108.800 -0.073 0.000 2.543 221 G HA2 0.627 4.588 3.960 0.001 0.000 0.290 221 G HA3 0.627 4.588 3.960 0.001 0.000 0.290 221 G C -0.010 174.833 174.900 -0.095 0.000 1.310 221 G CA -0.966 44.080 45.100 -0.089 0.000 1.025 221 G HN 0.642 nan 8.290 nan 0.000 0.502 222 I N 0.515 121.029 120.570 -0.093 0.000 2.359 222 I HA 0.157 4.328 4.170 0.001 0.000 0.284 222 I C 1.282 177.363 176.117 -0.060 0.000 1.018 222 I CA -0.340 60.912 61.300 -0.081 0.000 1.173 222 I CB 1.736 39.689 38.000 -0.079 0.000 1.326 222 I HN 0.461 nan 8.210 nan 0.000 0.462 223 T N 2.764 117.292 114.554 -0.044 0.000 2.708 223 T HA -0.097 4.254 4.350 0.001 0.000 0.266 223 T C 0.415 175.096 174.700 -0.032 0.000 1.037 223 T CA 1.313 63.389 62.100 -0.040 0.000 1.146 223 T CB -0.112 68.742 68.868 -0.023 0.000 0.865 223 T HN 0.564 nan 8.240 nan 0.000 0.435 224 D N -0.985 119.410 120.400 -0.009 0.000 2.655 224 D HA 0.628 5.269 4.640 0.001 0.000 0.229 224 D C -1.700 174.624 176.300 0.040 0.000 1.229 224 D CA -0.511 53.493 54.000 0.008 0.000 0.807 224 D CB 1.822 42.632 40.800 0.017 0.000 1.514 224 D HN 0.222 nan 8.370 nan 0.000 0.444 225 A N 1.440 124.297 122.820 0.063 0.000 2.515 225 A HA 0.641 4.961 4.320 0.001 0.000 0.298 225 A C -2.021 175.689 177.584 0.210 0.000 1.059 225 A CA -0.750 51.357 52.037 0.116 0.000 0.698 225 A CB 1.447 20.502 19.000 0.091 0.000 1.289 225 A HN 0.377 nan 8.150 nan 0.000 0.404 226 W N 3.531 124.834 121.300 0.005 0.000 2.587 226 W HA 0.593 5.252 4.660 -0.002 0.000 0.324 226 W C -1.958 174.565 176.519 0.007 0.000 1.008 226 W CA -1.417 55.932 57.345 0.006 0.000 1.265 226 W CB 1.115 30.585 29.460 0.016 0.000 1.328 226 W HN 0.513 nan 8.180 nan 0.000 0.432 227 L N 7.207 128.570 121.223 0.233 0.000 2.352 227 L HA 0.385 4.726 4.340 0.001 0.000 0.272 227 L C 0.871 177.692 176.870 -0.081 0.000 1.109 227 L CA -0.550 54.309 54.840 0.030 0.000 0.952 227 L CB 0.428 42.520 42.059 0.055 0.000 1.314 227 L HN 0.294 nan 8.230 nan 0.000 0.427 228 R N 2.376 122.652 120.500 -0.374 0.000 2.316 228 R HA 0.258 4.599 4.340 0.001 0.000 0.314 228 R C 0.122 176.309 176.300 -0.189 0.000 1.069 228 R CA -0.165 55.686 56.100 -0.414 0.000 0.959 228 R CB 0.810 30.611 30.300 -0.832 0.000 0.987 228 R HN 0.597 nan 8.270 nan 0.000 0.446 229 T N 0.747 115.232 114.554 -0.115 0.000 2.936 229 T HA 0.818 5.168 4.350 0.001 0.000 0.282 229 T C 0.210 174.956 174.700 0.076 0.000 1.003 229 T CA -0.580 61.462 62.100 -0.095 0.000 1.005 229 T CB 2.041 70.675 68.868 -0.389 0.000 1.097 229 T HN 0.634 nan 8.240 nan 0.000 0.532 230 G N -0.947 108.005 108.800 0.253 0.000 2.677 230 G HA2 0.542 4.503 3.960 0.001 0.000 0.291 230 G HA3 0.542 4.503 3.960 0.001 0.000 0.291 230 G C -2.596 172.590 174.900 0.477 0.000 1.435 230 G CA -1.040 44.233 45.100 0.289 0.000 0.826 230 G HN 0.930 nan 8.290 nan 0.000 0.491 231 W N 0.304 121.726 121.300 0.204 0.000 3.296 231 W HA 0.708 5.368 4.660 0.000 0.000 0.314 231 W C -0.905 175.686 176.519 0.121 0.000 1.238 231 W CA -0.659 56.798 57.345 0.186 0.000 1.193 231 W CB 2.369 31.980 29.460 0.252 0.000 1.383 231 W HN 0.814 nan 8.180 nan 0.000 0.545 232 S N 3.211 118.479 115.700 -0.720 0.000 2.546 232 S HA 0.755 5.226 4.470 0.001 0.000 0.272 232 S C -0.823 173.016 174.600 -1.269 0.000 1.140 232 S CA -0.385 57.411 58.200 -0.674 0.000 0.920 232 S CB 0.975 63.982 63.200 -0.322 0.000 1.083 232 S HN 1.001 nan 8.310 nan 0.000 0.476 233 A N 3.339 125.619 122.820 -0.901 0.000 2.440 233 A HA 0.764 5.084 4.320 0.001 0.000 0.251 233 A C 0.243 177.621 177.584 -0.343 0.000 1.089 233 A CA 0.029 51.685 52.037 -0.635 0.000 0.779 233 A CB 0.356 19.299 19.000 -0.095 0.000 1.022 233 A HN 0.832 nan 8.150 nan 0.000 0.492 234 R N 0.585 120.946 120.500 -0.232 0.000 3.003 234 R HA 0.608 4.948 4.340 0.001 0.000 0.251 234 R C -0.179 176.093 176.300 -0.047 0.000 1.265 234 R CA -0.357 55.661 56.100 -0.137 0.000 1.026 234 R CB 1.359 31.563 30.300 -0.160 0.000 1.307 234 R HN 0.694 nan 8.270 nan 0.000 0.475 235 S N -0.318 115.362 115.700 -0.033 0.000 2.584 235 S HA 0.555 5.026 4.470 0.001 0.000 0.273 235 S C -0.036 174.569 174.600 0.008 0.000 1.311 235 S CA 0.815 59.012 58.200 -0.004 0.000 1.034 235 S CB 0.801 63.996 63.200 -0.008 0.000 0.939 235 S HN 0.867 nan 8.310 nan 0.000 0.513 236 G N 2.547 111.366 108.800 0.031 0.000 2.512 236 G HA2 -0.152 3.808 3.960 0.001 0.000 0.254 236 G HA3 -0.152 3.808 3.960 0.001 0.000 0.254 236 G C 0.912 175.866 174.900 0.091 0.000 1.199 236 G CA 0.155 45.283 45.100 0.047 0.000 0.941 236 G HN 1.259 nan 8.290 nan 0.000 0.569 237 A N -0.618 122.267 122.820 0.109 0.000 1.929 237 A HA 0.575 4.895 4.320 0.001 0.000 0.216 237 A C 2.262 180.050 177.584 0.341 0.000 1.176 237 A CA 2.656 54.813 52.037 0.201 0.000 0.628 237 A CB -0.692 18.415 19.000 0.178 0.000 0.816 237 A HN 2.954 nan 8.150 nan 0.000 0.444 238 G N -3.230 105.654 108.800 0.139 0.000 2.381 238 G HA2 0.273 4.234 3.960 0.001 0.000 0.672 238 G HA3 0.273 4.234 3.960 0.001 0.000 0.672 238 G C -0.620 174.135 174.900 -0.243 0.000 1.324 238 G CA -0.364 44.659 45.100 -0.129 0.000 0.975 238 G HN 0.526 nan 8.290 nan 0.000 0.593 239 T N 0.840 115.081 114.554 -0.522 0.000 2.758 239 T HA 0.663 5.014 4.350 0.001 0.000 0.285 239 T C 0.745 175.259 174.700 -0.311 0.000 0.981 239 T CA 0.416 62.314 62.100 -0.336 0.000 0.965 239 T CB 1.458 70.164 68.868 -0.270 0.000 0.927 239 T HN 1.360 nan 8.240 nan 0.000 0.448 240 G N 2.165 110.837 108.800 -0.213 0.000 2.400 240 G HA2 0.593 4.554 3.960 0.001 0.000 0.301 240 G HA3 0.593 4.554 3.960 0.001 0.000 0.301 240 G C -0.147 174.785 174.900 0.054 0.000 1.154 240 G CA -0.627 44.410 45.100 -0.105 0.000 0.852 240 G HN 0.737 nan 8.290 nan 0.000 0.511 241 T N -1.254 113.462 114.554 0.269 0.000 2.887 241 T HA 0.709 5.059 4.350 0.001 0.000 0.288 241 T C -0.374 174.490 174.700 0.274 0.000 1.021 241 T CA -0.705 61.513 62.100 0.196 0.000 1.000 241 T CB 1.734 70.662 68.868 0.100 0.000 1.034 241 T HN 0.356 nan 8.240 nan 0.000 0.467 242 I N 1.984 122.664 120.570 0.184 0.000 2.436 242 I HA 0.394 4.564 4.170 0.001 0.000 0.289 242 I C -0.942 175.195 176.117 0.034 0.000 1.010 242 I CA -0.752 60.615 61.300 0.111 0.000 1.098 242 I CB 1.993 40.087 38.000 0.157 0.000 1.266 242 I HN 0.667 nan 8.210 nan 0.000 0.434 243 D N 8.867 129.225 120.400 -0.070 0.000 2.462 243 D HA 0.347 4.988 4.640 0.001 0.000 0.249 243 D C -2.553 173.627 176.300 -0.200 0.000 1.117 243 D CA -2.017 51.902 54.000 -0.135 0.000 0.900 243 D CB 1.309 41.992 40.800 -0.195 0.000 1.039 243 D HN 0.113 nan 8.370 nan 0.000 0.516 244 P HA 0.255 nan 4.420 nan 0.000 0.284 244 P C -0.604 176.585 177.300 -0.186 0.000 1.253 244 P CA -0.337 62.692 63.100 -0.118 0.000 0.800 244 P CB 1.294 32.979 31.700 -0.025 0.000 0.961 245 E N 2.750 122.896 120.200 -0.091 0.000 2.224 245 E HA 0.418 4.768 4.350 0.001 0.000 0.265 245 E C -1.229 175.388 176.600 0.028 0.000 0.878 245 E CA -0.682 55.696 56.400 -0.037 0.000 0.759 245 E CB 1.006 30.749 29.700 0.071 0.000 1.164 245 E HN 0.236 nan 8.360 nan 0.000 0.414 246 I N 3.929 124.501 120.570 0.004 0.000 2.382 246 I HA 0.221 4.392 4.170 0.001 0.000 0.286 246 I C -0.305 175.861 176.117 0.082 0.000 1.002 246 I CA -0.559 60.776 61.300 0.058 0.000 1.135 246 I CB 1.437 39.491 38.000 0.091 0.000 1.288 246 I HN 0.474 nan 8.210 nan 0.000 0.448 247 T N 6.041 120.637 114.554 0.069 0.000 2.753 247 T HA 0.792 5.142 4.350 0.001 0.000 0.297 247 T C 0.073 174.801 174.700 0.048 0.000 0.981 247 T CA -0.472 61.666 62.100 0.064 0.000 0.956 247 T CB 1.261 70.160 68.868 0.051 0.000 0.936 247 T HN 0.789 nan 8.240 nan 0.000 0.463 248 A N 2.985 125.851 122.820 0.077 0.000 2.597 248 A HA 0.602 4.923 4.320 0.001 0.000 0.292 248 A C -1.141 176.507 177.584 0.107 0.000 1.057 248 A CA -1.034 51.036 52.037 0.056 0.000 0.674 248 A CB 1.016 20.009 19.000 -0.012 0.000 1.278 248 A HN 0.687 nan 8.150 nan 0.000 0.416 249 D N 0.762 121.206 120.400 0.073 0.000 2.382 249 D HA 0.461 5.102 4.640 0.001 0.000 0.240 249 D C 1.486 177.894 176.300 0.179 0.000 1.146 249 D CA 0.906 54.961 54.000 0.092 0.000 0.897 249 D CB 1.199 42.030 40.800 0.052 0.000 1.197 249 D HN 0.837 nan 8.370 nan 0.000 0.432 250 A N 2.013 124.933 122.820 0.166 0.000 1.986 250 A HA -0.224 4.097 4.320 0.001 0.000 0.220 250 A C 2.069 179.804 177.584 0.253 0.000 1.171 250 A CA 2.366 54.531 52.037 0.212 0.000 0.640 250 A CB -1.289 17.763 19.000 0.086 0.000 0.811 250 A HN 0.768 nan 8.150 nan 0.000 0.451 251 T N -2.647 111.995 114.554 0.147 0.000 3.051 251 T HA 0.184 4.534 4.350 0.001 0.000 0.269 251 T C 1.665 176.414 174.700 0.082 0.000 1.127 251 T CA 1.286 63.449 62.100 0.105 0.000 1.107 251 T CB -0.392 68.509 68.868 0.055 0.000 0.898 251 T HN 0.590 nan 8.240 nan 0.000 0.517 252 A N 0.712 123.568 122.820 0.060 0.000 2.015 252 A HA 0.292 4.612 4.320 0.001 0.000 0.219 252 A C 0.641 178.111 177.584 -0.190 0.000 1.163 252 A CA 0.146 52.114 52.037 -0.116 0.000 0.646 252 A CB -0.733 18.113 19.000 -0.256 0.000 0.806 252 A HN 0.543 nan 8.150 nan 0.000 0.448 253 F N 1.145 121.122 119.950 0.045 0.000 2.429 253 F HA 0.345 4.873 4.527 0.001 0.000 0.348 253 F C -1.513 174.315 175.800 0.047 0.000 1.109 253 F CA -2.113 55.925 58.000 0.064 0.000 1.232 253 F CB 0.395 39.438 39.000 0.073 0.000 1.157 253 F HN 0.088 nan 8.300 nan 0.000 0.564 254 P HA 0.232 nan 4.420 nan 0.000 0.279 254 P C -1.071 176.260 177.300 0.053 0.000 1.239 254 P CA -0.156 63.079 63.100 0.225 0.000 0.789 254 P CB 1.638 33.421 31.700 0.139 0.000 0.933 255 V N 2.738 122.715 119.914 0.106 0.000 2.555 255 V HA 0.388 4.508 4.120 0.001 0.000 0.302 255 V C 0.294 176.391 176.094 0.005 0.000 1.038 255 V CA -0.234 62.064 62.300 -0.004 0.000 0.887 255 V CB 2.001 33.771 31.823 -0.088 0.000 0.991 255 V HN 0.589 nan 8.190 nan 0.000 0.434 256 T N 5.557 120.053 114.554 -0.096 0.000 2.792 256 T HA 0.529 4.879 4.350 0.001 0.000 0.280 256 T C -0.659 173.908 174.700 -0.222 0.000 0.990 256 T CA -0.262 61.700 62.100 -0.230 0.000 0.960 256 T CB 1.260 70.038 68.868 -0.149 0.000 0.939 256 T HN 0.451 nan 8.240 nan 0.000 0.439 257 L N 3.643 124.619 121.223 -0.411 0.000 2.276 257 L HA 0.735 5.076 4.340 0.001 0.000 0.286 257 L C -0.065 176.715 176.870 -0.149 0.000 1.061 257 L CA 0.150 54.863 54.840 -0.212 0.000 0.807 257 L CB 1.298 43.231 42.059 -0.210 0.000 1.177 257 L HN 0.589 nan 8.230 nan 0.000 0.429 258 S N 4.534 120.200 115.700 -0.057 0.000 2.561 258 S HA 0.739 5.209 4.470 0.001 0.000 0.303 258 S C -1.204 173.408 174.600 0.021 0.000 1.110 258 S CA -0.578 57.604 58.200 -0.031 0.000 1.034 258 S CB 1.281 64.464 63.200 -0.029 0.000 1.010 258 S HN 0.465 nan 8.310 nan 0.000 0.482 259 V N 7.744 127.679 119.914 0.035 0.000 2.320 259 V HA 0.349 4.470 4.120 0.001 0.000 0.268 259 V C -1.951 174.184 176.094 0.069 0.000 1.021 259 V CA -1.522 60.826 62.300 0.080 0.000 0.813 259 V CB 0.887 32.775 31.823 0.108 0.000 1.054 259 V HN 0.627 nan 8.190 nan 0.000 0.444 260 P HA -0.176 nan 4.420 nan 0.000 0.216 260 P C 1.535 178.881 177.300 0.075 0.000 1.153 260 P CA 1.201 64.335 63.100 0.056 0.000 0.858 260 P CB 0.510 32.242 31.700 0.053 0.000 0.789 261 E N -0.692 119.586 120.200 0.130 0.000 2.265 261 E HA -0.115 4.235 4.350 0.001 0.000 0.196 261 E C 1.239 177.917 176.600 0.130 0.000 0.996 261 E CA 0.705 57.206 56.400 0.167 0.000 0.832 261 E CB -0.290 29.586 29.700 0.294 0.000 0.756 261 E HN 0.235 nan 8.360 nan 0.000 0.491 262 L N -0.883 120.377 121.223 0.062 0.000 2.728 262 L HA 0.267 4.607 4.340 0.001 0.000 0.238 262 L C 1.083 177.938 176.870 -0.025 0.000 1.143 262 L CA 0.221 55.039 54.840 -0.036 0.000 0.937 262 L CB 0.711 42.663 42.059 -0.179 0.000 1.225 262 L HN 0.208 nan 8.230 nan 0.000 0.507 263 G N 0.899 109.700 108.800 0.003 0.000 2.179 263 G HA2 -0.250 3.710 3.960 0.001 0.000 0.257 263 G HA3 -0.250 3.710 3.960 0.001 0.000 0.257 263 G C 0.120 175.010 174.900 -0.017 0.000 1.010 263 G CA 0.176 45.273 45.100 -0.005 0.000 0.736 263 G HN 0.147 nan 8.290 nan 0.000 0.513 264 V N 1.120 121.026 119.914 -0.014 0.000 2.432 264 V HA 0.575 4.696 4.120 0.001 0.000 0.275 264 V C 0.347 176.415 176.094 -0.043 0.000 1.043 264 V CA -0.569 61.715 62.300 -0.025 0.000 0.925 264 V CB 1.736 33.556 31.823 -0.005 0.000 0.985 264 V HN 0.441 nan 8.190 nan 0.000 0.466 265 N N 4.357 123.014 118.700 -0.072 0.000 2.664 265 N HA 0.315 5.056 4.740 0.001 0.000 0.268 265 N C -1.824 173.590 175.510 -0.159 0.000 1.222 265 N CA -0.054 52.933 53.050 -0.105 0.000 0.805 265 N CB 1.994 40.436 38.487 -0.074 0.000 1.399 265 N HN 0.372 nan 8.380 nan 0.000 0.547 266 V N 2.133 121.886 119.914 -0.269 0.000 2.540 266 V HA 0.536 4.657 4.120 0.001 0.000 0.302 266 V C 0.008 175.732 176.094 -0.618 0.000 1.035 266 V CA -0.333 61.730 62.300 -0.396 0.000 0.873 266 V CB 1.952 33.518 31.823 -0.429 0.000 0.992 266 V HN 0.486 nan 8.190 nan 0.000 0.428 267 T N 4.575 118.840 114.554 -0.481 0.000 2.792 267 T HA 0.463 4.813 4.350 0.001 0.000 0.280 267 T C -0.994 173.536 174.700 -0.283 0.000 0.990 267 T CA -0.317 61.553 62.100 -0.384 0.000 0.960 267 T CB 0.788 69.567 68.868 -0.149 0.000 0.939 267 T HN 0.547 nan 8.240 nan 0.000 0.439 268 W N 3.121 124.498 121.300 0.128 0.000 2.391 268 W HA 0.395 5.057 4.660 0.004 0.000 0.311 268 W C 0.849 177.508 176.519 0.233 0.000 1.087 268 W CA -1.156 56.290 57.345 0.168 0.000 1.209 268 W CB 0.860 30.467 29.460 0.246 0.000 1.273 268 W HN 0.699 nan 8.180 nan 0.000 0.482 269 K N 1.447 122.033 120.400 0.311 0.000 2.400 269 K HA 0.031 4.352 4.320 0.001 0.000 0.194 269 K C 0.644 177.329 176.600 0.142 0.000 1.033 269 K CA 0.562 56.977 56.287 0.214 0.000 1.021 269 K CB 0.510 33.078 32.500 0.114 0.000 0.808 269 K HN 0.401 nan 8.250 nan 0.000 0.505 270 S N -2.346 113.304 115.700 -0.083 0.000 2.611 270 S HA 0.452 4.922 4.470 0.001 0.000 0.268 270 S C 0.510 174.404 174.600 -1.177 0.000 1.156 270 S CA -0.474 57.381 58.200 -0.576 0.000 0.817 270 S CB 1.349 64.386 63.200 -0.271 0.000 1.122 270 S HN -0.052 nan 8.310 nan 0.000 0.466 271 A N 0.802 122.724 122.820 -1.495 0.000 1.940 271 A HA -0.058 4.262 4.320 0.001 0.000 0.219 271 A C 1.681 178.973 177.584 -0.487 0.000 1.176 271 A CA 2.195 53.614 52.037 -1.030 0.000 0.631 271 A CB -1.216 17.483 19.000 -0.503 0.000 0.814 271 A HN 0.874 nan 8.150 nan 0.000 0.446 272 E N 0.206 120.192 120.200 -0.357 0.000 2.268 272 E HA -0.111 4.240 4.350 0.001 0.000 0.195 272 E C 1.702 178.192 176.600 -0.183 0.000 0.995 272 E CA 1.160 57.431 56.400 -0.215 0.000 0.836 272 E CB -0.163 29.447 29.700 -0.151 0.000 0.763 272 E HN 0.772 nan 8.360 nan 0.000 0.491 273 E N -0.002 120.086 120.200 -0.187 0.000 2.385 273 E HA 0.019 4.370 4.350 0.001 0.000 0.194 273 E C -0.047 176.424 176.600 -0.216 0.000 1.013 273 E CA -0.014 56.342 56.400 -0.073 0.000 0.866 273 E CB 0.453 30.213 29.700 0.101 0.000 0.832 273 E HN 0.022 nan 8.360 nan 0.000 0.500 274 V N 1.985 121.573 119.914 -0.542 0.000 2.540 274 V HA 0.190 4.310 4.120 0.001 0.000 0.297 274 V C 0.223 175.965 176.094 -0.586 0.000 1.024 274 V CA 0.270 61.882 62.300 -1.146 0.000 1.105 274 V CB 0.501 31.750 31.823 -0.955 0.000 0.938 274 V HN 0.187 nan 8.190 nan 0.000 0.482 275 A N 6.779 129.339 122.820 -0.434 0.000 2.604 275 A HA 0.853 5.173 4.320 0.001 0.000 0.295 275 A C -3.084 174.512 177.584 0.021 0.000 1.067 275 A CA -1.565 50.405 52.037 -0.112 0.000 0.683 275 A CB 1.721 20.719 19.000 -0.003 0.000 1.281 275 A HN 0.602 nan 8.150 nan 0.000 0.407 276 P HA 0.487 nan 4.420 nan 0.000 0.269 276 P C -1.126 176.225 177.300 0.085 0.000 1.215 276 P CA 0.103 63.221 63.100 0.031 0.000 0.780 276 P CB 0.233 31.927 31.700 -0.010 0.000 0.898 277 L N 0.891 122.174 121.223 0.100 0.000 2.354 277 L HA 0.819 5.160 4.340 0.001 0.000 0.264 277 L C -0.012 176.896 176.870 0.063 0.000 1.008 277 L CA -1.174 53.720 54.840 0.091 0.000 0.819 277 L CB 1.017 43.145 42.059 0.116 0.000 1.339 277 L HN 0.311 nan 8.230 nan 0.000 0.420 278 A N 1.926 124.765 122.820 0.031 0.000 2.350 278 A HA 0.980 5.300 4.320 0.001 0.000 0.324 278 A C -1.386 176.181 177.584 -0.027 0.000 1.118 278 A CA -0.410 51.628 52.037 0.002 0.000 0.783 278 A CB 1.106 20.095 19.000 -0.018 0.000 1.236 278 A HN 0.520 nan 8.150 nan 0.000 0.457 279 L N 1.627 122.807 121.223 -0.072 0.000 2.410 279 L HA 0.521 4.862 4.340 0.001 0.000 0.270 279 L C -0.219 176.561 176.870 -0.149 0.000 0.983 279 L CA -0.470 54.298 54.840 -0.120 0.000 0.822 279 L CB 1.652 43.598 42.059 -0.188 0.000 1.285 279 L HN 0.592 nan 8.230 nan 0.000 0.409 280 E N 1.445 121.575 120.200 -0.116 0.000 2.318 280 E HA 0.337 4.688 4.350 0.001 0.000 0.265 280 E C -0.116 176.426 176.600 -0.097 0.000 1.069 280 E CA -0.457 55.882 56.400 -0.102 0.000 0.893 280 E CB 0.485 30.144 29.700 -0.069 0.000 1.076 280 E HN 0.585 nan 8.360 nan 0.000 0.414 281 N N -1.126 117.538 118.700 -0.059 0.000 2.758 281 N HA -0.146 4.595 4.740 0.001 0.000 0.248 281 N C -1.106 174.405 175.510 0.001 0.000 1.076 281 N CA 0.074 53.120 53.050 -0.007 0.000 0.696 281 N CB -1.035 37.451 38.487 -0.001 0.000 0.979 281 N HN 0.062 nan 8.380 nan 0.000 0.550 282 V N 0.363 120.274 119.914 -0.005 0.000 2.394 282 V HA 0.246 4.366 4.120 0.001 0.000 0.282 282 V C 0.557 176.843 176.094 0.321 0.000 1.031 282 V CA -0.513 61.770 62.300 -0.028 0.000 0.881 282 V CB 1.715 33.312 31.823 -0.377 0.000 0.982 282 V HN 0.104 nan 8.190 nan 0.000 0.451 283 E N 6.410 126.822 120.200 0.353 0.000 2.259 283 E HA 0.349 4.699 4.350 0.001 0.000 0.281 283 E C -2.415 174.283 176.600 0.163 0.000 1.027 283 E CA -1.705 54.854 56.400 0.265 0.000 0.838 283 E CB 1.854 31.675 29.700 0.201 0.000 1.066 283 E HN 0.432 nan 8.360 nan 0.000 0.401 284 P HA 0.119 nan 4.420 nan 0.000 0.279 284 P C -0.718 176.549 177.300 -0.056 0.000 1.252 284 P CA -0.573 62.248 63.100 -0.466 0.000 0.811 284 P CB 0.747 31.564 31.700 -1.470 0.000 1.035 285 W N 2.756 124.033 121.300 -0.038 0.000 2.316 285 W HA 0.401 5.062 4.660 0.002 0.000 0.311 285 W C -0.331 176.175 176.519 -0.022 0.000 1.217 285 W CA 0.677 58.019 57.345 -0.005 0.000 1.199 285 W CB 0.884 30.384 29.460 0.067 0.000 1.202 285 W HN 0.483 nan 8.180 nan 0.000 0.528 286 S N 3.174 118.462 115.700 -0.686 0.000 2.651 286 S HA 0.682 5.152 4.470 0.001 0.000 0.279 286 S C 0.400 173.933 174.600 -1.779 0.000 1.148 286 S CA -0.405 57.326 58.200 -0.782 0.000 0.837 286 S CB 1.316 64.422 63.200 -0.157 0.000 1.138 286 S HN 0.848 nan 8.310 nan 0.000 0.478 287 A N 0.761 122.424 122.820 -1.929 0.000 1.908 287 A HA -0.087 4.233 4.320 0.001 0.000 0.218 287 A C 1.831 178.860 177.584 -0.926 0.000 1.181 287 A CA 1.952 53.069 52.037 -1.533 0.000 0.627 287 A CB -1.150 16.826 19.000 -1.707 0.000 0.818 287 A HN 0.913 nan 8.150 nan 0.000 0.445 288 E N -1.045 118.785 120.200 -0.616 0.000 2.107 288 E HA 0.008 4.359 4.350 0.001 0.000 0.191 288 E C -0.332 176.059 176.600 -0.347 0.000 0.982 288 E CA 0.999 57.187 56.400 -0.352 0.000 0.809 288 E CB 0.099 29.707 29.700 -0.153 0.000 0.756 288 E HN 0.327 nan 8.360 nan 0.000 0.459 289 V N 2.407 122.052 119.914 -0.448 0.000 2.383 289 V HA 0.162 4.283 4.120 0.001 0.000 0.264 289 V C -2.471 173.254 176.094 -0.615 0.000 1.001 289 V CA -1.232 60.837 62.300 -0.384 0.000 0.828 289 V CB 1.175 32.852 31.823 -0.242 0.000 1.069 289 V HN 0.025 nan 8.190 nan 0.000 0.451 290 P HA 0.149 nan 4.420 nan 0.000 0.226 290 P C 0.067 177.148 177.300 -0.365 0.000 1.783 290 P CA -0.419 62.055 63.100 -1.044 0.000 0.980 290 P CB 0.111 31.470 31.700 -0.569 0.000 1.967 291 R N 2.467 122.821 120.500 -0.244 0.000 2.421 291 R HA 0.269 4.610 4.340 0.001 0.000 0.305 291 R C -0.633 175.788 176.300 0.202 0.000 1.039 291 R CA 0.305 56.387 56.100 -0.030 0.000 1.003 291 R CB -0.682 29.593 30.300 -0.043 0.000 0.959 291 R HN 0.279 nan 8.270 nan 0.000 0.427 292 L N 5.416 126.686 121.223 0.079 0.000 2.354 292 L HA 0.489 4.830 4.340 0.001 0.000 0.269 292 L C -0.903 175.945 176.870 -0.037 0.000 1.005 292 L CA -1.086 53.851 54.840 0.162 0.000 0.819 292 L CB 1.675 43.847 42.059 0.188 0.000 1.311 292 L HN 0.569 nan 8.230 nan 0.000 0.423 293 Y N 0.624 121.057 120.300 0.223 0.000 2.364 293 Y HA 0.311 4.861 4.550 0.001 0.000 0.340 293 Y C 0.141 176.125 175.900 0.141 0.000 0.975 293 Y CA -0.947 57.275 58.100 0.202 0.000 1.089 293 Y CB 1.588 40.236 38.460 0.314 0.000 1.192 293 Y HN 0.401 nan 8.280 nan 0.000 0.454 294 E N 2.297 122.638 120.200 0.234 0.000 2.344 294 E HA 0.511 4.861 4.350 0.001 0.000 0.270 294 E C -0.597 176.096 176.600 0.155 0.000 1.021 294 E CA -0.118 56.372 56.400 0.150 0.000 0.887 294 E CB 1.319 31.076 29.700 0.095 0.000 0.997 294 E HN 0.694 nan 8.360 nan 0.000 0.429 295 A N 2.079 124.967 122.820 0.114 0.000 2.527 295 A HA 0.729 5.049 4.320 0.001 0.000 0.293 295 A C -0.692 176.927 177.584 0.058 0.000 1.117 295 A CA -0.571 51.522 52.037 0.094 0.000 0.723 295 A CB 1.652 20.714 19.000 0.104 0.000 1.313 295 A HN 0.599 nan 8.150 nan 0.000 0.411 296 S N -0.776 114.950 115.700 0.043 0.000 2.546 296 S HA 0.707 5.177 4.470 0.001 0.000 0.274 296 S C -1.223 173.393 174.600 0.026 0.000 1.121 296 S CA -0.465 57.752 58.200 0.027 0.000 0.887 296 S CB 1.190 64.396 63.200 0.010 0.000 1.094 296 S HN 2.107 nan 8.310 nan 0.000 0.474 297 V N 1.575 121.508 119.914 0.031 0.000 2.540 297 V HA 0.879 4.999 4.120 0.001 0.000 0.302 297 V C -1.066 175.030 176.094 0.003 0.000 1.035 297 V CA 0.010 62.334 62.300 0.041 0.000 0.873 297 V CB 1.527 33.415 31.823 0.108 0.000 0.992 297 V HN 1.124 nan 8.190 nan 0.000 0.428 298 S N 4.446 120.135 115.700 -0.019 0.000 2.540 298 S HA 0.726 5.197 4.470 0.001 0.000 0.275 298 S C -0.470 174.088 174.600 -0.069 0.000 1.123 298 S CA -0.383 57.790 58.200 -0.044 0.000 0.907 298 S CB 1.963 65.138 63.200 -0.041 0.000 1.081 298 S HN 1.248 nan 8.310 nan 0.000 0.476 299 S N 1.301 116.949 115.700 -0.087 0.000 2.767 299 S HA 0.810 5.281 4.470 0.001 0.000 0.300 299 S C 1.369 175.930 174.600 -0.065 0.000 1.123 299 S CA -0.261 57.879 58.200 -0.099 0.000 0.992 299 S CB 0.852 63.968 63.200 -0.140 0.000 1.138 299 S HN 0.887 nan 8.310 nan 0.000 0.550 300 A N 0.562 123.351 122.820 -0.051 0.000 1.948 300 A HA 0.100 4.420 4.320 0.001 0.000 0.220 300 A C 2.191 179.751 177.584 -0.040 0.000 1.177 300 A CA 2.074 54.089 52.037 -0.036 0.000 0.636 300 A CB -1.578 17.409 19.000 -0.023 0.000 0.815 300 A HN 1.373 nan 8.150 nan 0.000 0.449 301 A N -1.895 120.894 122.820 -0.051 0.000 2.147 301 A HA 0.347 4.667 4.320 0.001 0.000 0.211 301 A C 0.745 178.288 177.584 -0.068 0.000 1.160 301 A CA 0.889 52.892 52.037 -0.057 0.000 0.781 301 A CB 0.028 18.991 19.000 -0.061 0.000 0.842 301 A HN 0.573 nan 8.150 nan 0.000 0.475 302 E N -1.058 119.100 120.200 -0.070 0.000 2.363 302 E HA 0.465 4.815 4.350 0.001 0.000 0.281 302 E C -1.682 174.880 176.600 -0.063 0.000 0.953 302 E CA -0.355 56.001 56.400 -0.074 0.000 0.778 302 E CB 1.572 31.219 29.700 -0.088 0.000 1.220 302 E HN 0.033 nan 8.360 nan 0.000 0.431 303 S N 3.815 119.482 115.700 -0.055 0.000 2.532 303 S HA 0.627 5.098 4.470 0.001 0.000 0.299 303 S C -1.061 173.516 174.600 -0.039 0.000 1.105 303 S CA -0.546 57.629 58.200 -0.041 0.000 1.018 303 S CB 0.618 63.799 63.200 -0.032 0.000 1.021 303 S HN 0.439 nan 8.310 nan 0.000 0.483 304 I N 3.468 124.021 120.570 -0.028 0.000 2.378 304 I HA 0.368 4.539 4.170 0.001 0.000 0.291 304 I C -0.150 175.967 176.117 0.001 0.000 0.992 304 I CA -0.326 60.960 61.300 -0.022 0.000 1.154 304 I CB 2.176 40.162 38.000 -0.024 0.000 1.315 304 I HN 0.458 nan 8.210 nan 0.000 0.448 305 S N 5.243 120.950 115.700 0.012 0.000 2.462 305 S HA 0.645 5.116 4.470 0.001 0.000 0.294 305 S C -0.615 174.012 174.600 0.044 0.000 1.144 305 S CA -0.619 57.593 58.200 0.021 0.000 1.088 305 S CB 1.987 65.184 63.200 -0.004 0.000 1.009 305 S HN 0.417 nan 8.310 nan 0.000 0.484 306 V N 4.024 123.965 119.914 0.046 0.000 2.841 306 V HA 0.567 4.688 4.120 0.001 0.000 0.310 306 V C -1.453 174.678 176.094 0.062 0.000 1.090 306 V CA -0.967 61.367 62.300 0.056 0.000 0.930 306 V CB 2.024 33.873 31.823 0.043 0.000 1.014 306 V HN 0.902 nan 8.190 nan 0.000 0.425 307 R N 6.156 126.697 120.500 0.068 0.000 2.255 307 R HA 0.598 4.938 4.340 0.001 0.000 0.326 307 R C -1.080 175.258 176.300 0.063 0.000 0.986 307 R CA -0.560 55.593 56.100 0.089 0.000 0.847 307 R CB 1.406 31.768 30.300 0.103 0.000 1.111 307 R HN 0.609 nan 8.270 nan 0.000 0.452 308 L N 2.304 123.580 121.223 0.089 0.000 2.276 308 L HA 0.427 4.767 4.340 0.001 0.000 0.286 308 L C 0.802 177.697 176.870 0.041 0.000 1.061 308 L CA -0.518 54.292 54.840 -0.050 0.000 0.807 308 L CB 1.432 43.389 42.059 -0.169 0.000 1.177 308 L HN 0.719 nan 8.230 nan 0.000 0.429 309 G N 2.888 111.629 108.800 -0.099 0.000 2.422 309 G HA2 0.553 4.514 3.960 0.001 0.000 0.317 309 G HA3 0.553 4.514 3.960 0.001 0.000 0.317 309 G C -0.946 173.967 174.900 0.021 0.000 1.210 309 G CA -0.355 44.792 45.100 0.078 0.000 0.930 309 G HN 0.301 nan 8.290 nan 0.000 0.468 310 F N 2.456 122.596 119.950 0.317 0.000 2.413 310 F HA 0.552 5.080 4.527 0.001 0.000 0.359 310 F C 0.905 176.892 175.800 0.312 0.000 1.122 310 F CA -0.393 57.787 58.000 0.299 0.000 1.160 310 F CB 1.197 40.408 39.000 0.351 0.000 1.146 310 F HN 0.588 nan 8.300 nan 0.000 0.514 311 R N 0.189 120.941 120.500 0.420 0.000 2.629 311 R HA 0.684 5.024 4.340 0.001 0.000 0.266 311 R C -1.750 174.753 176.300 0.338 0.000 1.051 311 R CA -0.824 55.520 56.100 0.406 0.000 0.895 311 R CB 1.130 31.696 30.300 0.443 0.000 1.246 311 R HN 0.264 nan 8.270 nan 0.000 0.459 312 T N 1.825 116.583 114.554 0.340 0.000 2.812 312 T HA 0.483 4.834 4.350 0.001 0.000 0.282 312 T C -0.921 173.871 174.700 0.154 0.000 0.990 312 T CA -0.706 61.532 62.100 0.231 0.000 0.960 312 T CB 1.599 70.605 68.868 0.230 0.000 0.948 312 T HN 0.373 nan 8.240 nan 0.000 0.438 313 V N 5.460 125.415 119.914 0.068 0.000 2.370 313 V HA 0.592 4.712 4.120 0.001 0.000 0.279 313 V C 0.046 176.057 176.094 -0.139 0.000 1.029 313 V CA -0.736 61.519 62.300 -0.075 0.000 0.870 313 V CB 0.970 32.742 31.823 -0.086 0.000 0.984 313 V HN 0.653 nan 8.190 nan 0.000 0.451 314 R N 4.643 125.015 120.500 -0.214 0.000 2.574 314 R HA 0.585 4.926 4.340 0.001 0.000 0.288 314 R C -1.160 174.988 176.300 -0.253 0.000 1.004 314 R CA -0.637 55.363 56.100 -0.167 0.000 0.895 314 R CB 2.612 32.878 30.300 -0.057 0.000 1.191 314 R HN 0.593 nan 8.270 nan 0.000 0.444 315 I N 2.657 123.108 120.570 -0.199 0.000 2.331 315 I HA 0.275 4.445 4.170 0.001 0.000 0.292 315 I C -0.105 175.991 176.117 -0.035 0.000 0.998 315 I CA -0.800 60.425 61.300 -0.125 0.000 1.267 315 I CB 1.643 39.601 38.000 -0.071 0.000 1.386 315 I HN 0.081 nan 8.210 nan 0.000 0.476 316 V N 6.505 126.423 119.914 0.007 0.000 2.376 316 V HA 0.569 4.690 4.120 0.001 0.000 0.287 316 V C 0.803 176.932 176.094 0.058 0.000 1.015 316 V CA -0.024 62.294 62.300 0.029 0.000 0.834 316 V CB 0.526 32.370 31.823 0.034 0.000 1.001 316 V HN 1.126 nan 8.190 nan 0.000 0.428 317 G N 5.457 114.288 108.800 0.052 0.000 2.629 317 G HA2 -0.340 3.620 3.960 0.001 0.000 0.313 317 G HA3 -0.340 3.620 3.960 0.001 0.000 0.313 317 G C 0.491 175.449 174.900 0.096 0.000 1.217 317 G CA 0.746 45.886 45.100 0.067 0.000 0.994 317 G HN 1.019 nan 8.290 nan 0.000 0.549 318 D N 1.086 121.562 120.400 0.128 0.000 2.336 318 D HA 0.234 4.875 4.640 0.001 0.000 0.228 318 D C 0.513 176.988 176.300 0.291 0.000 1.120 318 D CA 0.412 54.525 54.000 0.187 0.000 0.839 318 D CB 0.181 41.089 40.800 0.180 0.000 0.932 318 D HN 0.414 nan 8.370 nan 0.000 0.509 319 Q N 0.467 120.412 119.800 0.242 0.000 2.322 319 Q HA 0.284 4.624 4.340 0.001 0.000 0.265 319 Q C -1.259 174.889 176.000 0.247 0.000 0.985 319 Q CA -0.730 55.279 55.803 0.342 0.000 0.849 319 Q CB 1.910 30.788 28.738 0.234 0.000 1.274 319 Q HN 0.252 nan 8.270 nan 0.000 0.449 320 F N 4.162 124.167 119.950 0.091 0.000 2.350 320 F HA 0.360 4.888 4.527 0.001 0.000 0.365 320 F C -0.846 174.991 175.800 0.062 0.000 1.122 320 F CA -0.507 57.467 58.000 -0.045 0.000 1.139 320 F CB 0.402 39.243 39.000 -0.265 0.000 1.220 320 F HN 0.361 nan 8.300 nan 0.000 0.499 321 L N 6.740 127.903 121.223 -0.101 0.000 2.334 321 L HA 0.679 5.020 4.340 0.001 0.000 0.276 321 L C -0.951 175.883 176.870 -0.060 0.000 1.014 321 L CA -1.214 53.636 54.840 0.017 0.000 0.815 321 L CB 1.778 43.861 42.059 0.040 0.000 1.268 321 L HN 0.207 nan 8.230 nan 0.000 0.428 322 V N 2.346 122.309 119.914 0.082 0.000 2.487 322 V HA 0.331 4.451 4.120 0.001 0.000 0.298 322 V C -0.144 176.157 176.094 0.345 0.000 1.028 322 V CA -0.720 61.660 62.300 0.132 0.000 0.860 322 V CB 1.475 33.265 31.823 -0.055 0.000 0.991 322 V HN 0.904 nan 8.190 nan 0.000 0.427 323 N N 3.751 122.648 118.700 0.328 0.000 2.735 323 N HA -0.210 4.530 4.740 0.001 0.000 0.248 323 N C 1.122 176.840 175.510 0.347 0.000 1.083 323 N CA 1.521 54.819 53.050 0.413 0.000 0.703 323 N CB -1.200 37.448 38.487 0.269 0.000 1.005 323 N HN 1.618 nan 8.380 nan 0.000 0.550 324 G N -1.237 107.709 108.800 0.244 0.000 2.159 324 G HA2 -0.357 3.603 3.960 0.001 0.000 0.256 324 G HA3 -0.357 3.603 3.960 0.001 0.000 0.256 324 G C 0.054 175.029 174.900 0.126 0.000 0.977 324 G CA 0.663 45.863 45.100 0.166 0.000 0.652 324 G HN 0.605 nan 8.290 nan 0.000 0.531 325 R N -0.449 120.139 120.500 0.147 0.000 2.686 325 R HA 0.536 4.877 4.340 0.001 0.000 0.286 325 R C 0.438 176.864 176.300 0.209 0.000 0.969 325 R CA -1.019 55.138 56.100 0.095 0.000 0.898 325 R CB 1.462 31.682 30.300 -0.134 0.000 1.183 325 R HN 0.248 nan 8.270 nan 0.000 0.456 326 R N 1.876 122.475 120.500 0.165 0.000 2.537 326 R HA 0.039 4.380 4.340 0.001 0.000 0.281 326 R C -0.750 175.649 176.300 0.165 0.000 0.988 326 R CA 0.164 56.377 56.100 0.189 0.000 1.077 326 R CB 0.466 30.832 30.300 0.110 0.000 0.932 326 R HN 0.286 nan 8.270 nan 0.000 0.409 327 V N 6.108 126.049 119.914 0.045 0.000 2.370 327 V HA 0.215 4.336 4.120 0.001 0.000 0.279 327 V C -0.138 175.683 176.094 -0.455 0.000 1.029 327 V CA -0.636 61.420 62.300 -0.407 0.000 0.870 327 V CB 1.647 32.840 31.823 -1.050 0.000 0.984 327 V HN 0.517 nan 8.190 nan 0.000 0.451 328 V N 5.934 125.578 119.914 -0.451 0.000 2.394 328 V HA 0.428 4.549 4.120 0.001 0.000 0.282 328 V C -0.364 175.316 176.094 -0.691 0.000 1.031 328 V CA -0.399 61.633 62.300 -0.448 0.000 0.881 328 V CB 1.209 32.823 31.823 -0.348 0.000 0.982 328 V HN 0.655 nan 8.190 nan 0.000 0.451 329 F N 4.178 123.888 119.950 -0.400 0.000 2.404 329 F HA 0.409 4.937 4.527 0.001 0.000 0.358 329 F C 0.772 176.280 175.800 -0.487 0.000 1.120 329 F CA -0.348 57.388 58.000 -0.441 0.000 1.144 329 F CB 0.534 39.198 39.000 -0.560 0.000 1.133 329 F HN 0.476 nan 8.300 nan 0.000 0.495 330 H N 3.089 122.148 119.070 -0.018 0.000 2.628 330 H HA 0.408 4.964 4.556 0.001 0.000 0.250 330 H C 0.420 175.814 175.328 0.109 0.000 1.442 330 H CA -0.565 55.528 56.048 0.075 0.000 1.282 330 H CB 0.572 30.363 29.762 0.049 0.000 1.487 330 H HN 0.780 nan 8.280 nan 0.000 0.544 331 G N 0.508 109.273 108.800 -0.059 0.000 2.735 331 G HA2 0.597 4.558 3.960 0.001 0.000 0.301 331 G HA3 0.597 4.558 3.960 0.001 0.000 0.301 331 G C -0.558 174.341 174.900 -0.000 0.000 1.279 331 G CA -0.680 44.282 45.100 -0.229 0.000 1.019 331 G HN 0.342 nan 8.290 nan 0.000 0.497 332 V N -2.242 117.741 119.914 0.115 0.000 2.925 332 V HA 0.573 4.694 4.120 0.001 0.000 0.311 332 V C -0.754 175.407 176.094 0.112 0.000 1.104 332 V CA -1.490 60.837 62.300 0.045 0.000 0.954 332 V CB 1.927 33.676 31.823 -0.123 0.000 1.022 332 V HN 0.634 nan 8.190 nan 0.000 0.427 333 N N 3.640 122.348 118.700 0.013 0.000 2.470 333 N HA 0.361 5.101 4.740 0.001 0.000 0.268 333 N C -0.632 174.720 175.510 -0.262 0.000 1.136 333 N CA -0.213 52.758 53.050 -0.131 0.000 0.961 333 N CB 1.332 39.708 38.487 -0.185 0.000 1.067 333 N HN 0.749 nan 8.380 nan 0.000 0.468 334 R N 2.753 123.120 120.500 -0.222 0.000 2.621 334 R HA 0.261 4.601 4.340 0.001 0.000 0.284 334 R C -1.093 175.127 176.300 -0.133 0.000 0.998 334 R CA -0.483 55.496 56.100 -0.201 0.000 0.895 334 R CB 1.411 31.578 30.300 -0.222 0.000 1.195 334 R HN 0.762 nan 8.270 nan 0.000 0.450 335 H N 0.609 119.640 119.070 -0.066 0.000 2.908 335 H HA 0.383 4.939 4.556 0.001 0.000 0.350 335 H C -1.125 174.283 175.328 0.134 0.000 1.217 335 H CA -0.827 55.225 56.048 0.006 0.000 1.168 335 H CB 1.343 31.081 29.762 -0.040 0.000 1.891 335 H HN 0.426 nan 8.280 nan 0.000 0.566 336 E N 0.664 121.076 120.200 0.353 0.000 2.376 336 E HA 0.236 4.587 4.350 0.001 0.000 0.266 336 E C -0.811 175.966 176.600 0.296 0.000 1.009 336 E CA 0.444 57.017 56.400 0.288 0.000 0.902 336 E CB 0.584 30.489 29.700 0.342 0.000 0.972 336 E HN 0.648 nan 8.360 nan 0.000 0.439 337 T N 4.341 119.028 114.554 0.221 0.000 3.097 337 T HA 0.294 4.645 4.350 0.001 0.000 0.332 337 T C -2.161 172.667 174.700 0.212 0.000 1.269 337 T CA -0.633 61.613 62.100 0.244 0.000 1.076 337 T CB 0.483 69.559 68.868 0.348 0.000 1.209 337 T HN 0.504 nan 8.240 nan 0.000 0.474 338 H N 4.444 123.569 119.070 0.090 0.000 3.029 338 H HA 0.337 4.893 4.556 0.001 0.000 0.358 338 H C -2.526 172.828 175.328 0.043 0.000 1.129 338 H CA -1.597 54.477 56.048 0.043 0.000 1.230 338 H CB 2.885 32.669 29.762 0.038 0.000 1.827 338 H HN 0.352 nan 8.280 nan 0.000 0.530 339 P HA -0.068 nan 4.420 nan 0.000 0.222 339 P C 0.483 177.818 177.300 0.058 0.000 1.147 339 P CA 1.087 64.151 63.100 -0.059 0.000 0.790 339 P CB 0.555 32.278 31.700 0.037 0.000 0.780 340 D N -1.692 118.840 120.400 0.219 0.000 2.380 340 D HA 0.102 4.743 4.640 0.001 0.000 0.212 340 D C 1.744 178.158 176.300 0.191 0.000 1.021 340 D CA 0.594 54.732 54.000 0.231 0.000 0.884 340 D CB 0.161 41.134 40.800 0.288 0.000 1.001 340 D HN 0.187 nan 8.370 nan 0.000 0.506 341 R N -0.088 120.574 120.500 0.270 0.000 2.419 341 R HA 0.320 4.660 4.340 0.001 0.000 0.235 341 R C 1.204 177.635 176.300 0.217 0.000 0.899 341 R CA 0.418 56.613 56.100 0.159 0.000 1.048 341 R CB 1.677 32.000 30.300 0.038 0.000 1.182 341 R HN 0.081 nan 8.270 nan 0.000 0.544 342 G N 2.000 110.912 108.800 0.188 0.000 2.531 342 G HA2 -0.378 3.582 3.960 0.001 0.000 0.274 342 G HA3 -0.378 3.582 3.960 0.001 0.000 0.274 342 G C 0.303 175.359 174.900 0.260 0.000 1.159 342 G CA 0.186 45.366 45.100 0.133 0.000 0.969 342 G HN 0.325 nan 8.290 nan 0.000 0.554 343 R N -0.119 120.641 120.500 0.434 0.000 2.356 343 R HA 0.344 4.685 4.340 0.001 0.000 0.234 343 R C 0.570 177.129 176.300 0.431 0.000 0.929 343 R CA 0.082 56.414 56.100 0.387 0.000 1.084 343 R CB 0.294 30.710 30.300 0.195 0.000 1.105 343 R HN 0.296 nan 8.270 nan 0.000 0.515 344 V N 2.203 122.315 119.914 0.331 0.000 2.529 344 V HA -0.045 4.075 4.120 0.001 0.000 0.292 344 V C 0.188 176.394 176.094 0.187 0.000 1.028 344 V CA -0.038 62.391 62.300 0.215 0.000 1.074 344 V CB 0.006 31.873 31.823 0.073 0.000 0.958 344 V HN 0.054 nan 8.190 nan 0.000 0.481 345 F N 5.104 125.067 119.950 0.022 0.000 2.429 345 F HA 0.370 4.898 4.527 0.001 0.000 0.348 345 F C 0.286 175.999 175.800 -0.145 0.000 1.109 345 F CA -0.122 57.823 58.000 -0.092 0.000 1.232 345 F CB 0.693 39.511 39.000 -0.305 0.000 1.157 345 F HN 0.612 nan 8.300 nan 0.000 0.564 346 D N 5.392 125.251 120.400 -0.901 0.000 2.686 346 D HA 0.076 4.716 4.640 0.001 0.000 0.249 346 D C 0.327 176.015 176.300 -1.020 0.000 1.260 346 D CA -0.210 53.360 54.000 -0.717 0.000 0.910 346 D CB 1.579 42.144 40.800 -0.393 0.000 1.323 346 D HN 0.863 nan 8.370 nan 0.000 0.561 347 E N 2.822 122.570 120.200 -0.754 0.000 2.058 347 E HA -0.214 4.136 4.350 0.001 0.000 0.194 347 E C 1.753 178.213 176.600 -0.232 0.000 0.997 347 E CA 1.533 57.676 56.400 -0.428 0.000 0.801 347 E CB 0.164 29.873 29.700 0.015 0.000 0.746 347 E HN 0.570 nan 8.360 nan 0.000 0.450 348 A N 0.518 123.242 122.820 -0.161 0.000 1.933 348 A HA -0.102 4.219 4.320 0.001 0.000 0.218 348 A C 2.363 179.892 177.584 -0.092 0.000 1.175 348 A CA 1.718 53.705 52.037 -0.083 0.000 0.628 348 A CB -1.036 17.933 19.000 -0.052 0.000 0.814 348 A HN 0.458 nan 8.150 nan 0.000 0.444 349 G N -0.729 107.975 108.800 -0.160 0.000 2.408 349 G HA2 0.077 4.038 3.960 0.001 0.000 0.217 349 G HA3 0.077 4.038 3.960 0.001 0.000 0.217 349 G C 1.696 176.534 174.900 -0.103 0.000 1.150 349 G CA 1.227 46.259 45.100 -0.113 0.000 0.776 349 G HN 0.752 nan 8.290 nan 0.000 0.542 350 A N 0.795 123.490 122.820 -0.208 0.000 1.930 350 A HA 0.064 4.385 4.320 0.001 0.000 0.217 350 A C 2.424 179.990 177.584 -0.031 0.000 1.175 350 A CA 1.369 53.333 52.037 -0.123 0.000 0.627 350 A CB -0.325 18.585 19.000 -0.150 0.000 0.815 350 A HN 0.328 nan 8.150 nan 0.000 0.443 351 R N -0.725 119.767 120.500 -0.014 0.000 2.073 351 R HA -0.160 4.181 4.340 0.001 0.000 0.234 351 R C 2.238 178.572 176.300 0.057 0.000 1.134 351 R CA 1.533 57.659 56.100 0.043 0.000 0.952 351 R CB -0.283 30.049 30.300 0.054 0.000 0.850 351 R HN 0.570 nan 8.270 nan 0.000 0.433 352 E N 1.291 121.518 120.200 0.045 0.000 2.077 352 E HA -0.213 4.137 4.350 0.001 0.000 0.193 352 E C 1.438 178.097 176.600 0.098 0.000 0.989 352 E CA 1.717 58.161 56.400 0.074 0.000 0.800 352 E CB -0.341 29.396 29.700 0.062 0.000 0.746 352 E HN 0.146 nan 8.360 nan 0.000 0.452 353 D N -1.016 119.431 120.400 0.079 0.000 2.104 353 D HA -0.147 4.494 4.640 0.001 0.000 0.194 353 D C 1.687 178.000 176.300 0.021 0.000 0.994 353 D CA 0.970 55.042 54.000 0.119 0.000 0.830 353 D CB -0.139 40.708 40.800 0.078 0.000 0.959 353 D HN 0.200 nan 8.370 nan 0.000 0.452 354 L N 0.235 121.427 121.223 -0.053 0.000 2.156 354 L HA 0.111 4.452 4.340 0.001 0.000 0.208 354 L C 2.324 179.230 176.870 0.061 0.000 1.095 354 L CA 1.303 56.079 54.840 -0.107 0.000 0.770 354 L CB -0.966 41.053 42.059 -0.066 0.000 0.914 354 L HN 0.059 nan 8.230 nan 0.000 0.439 355 A N -0.929 121.945 122.820 0.090 0.000 1.898 355 A HA -0.181 4.139 4.320 0.001 0.000 0.216 355 A C 2.231 179.894 177.584 0.132 0.000 1.181 355 A CA 1.528 53.639 52.037 0.123 0.000 0.620 355 A CB -0.752 18.369 19.000 0.202 0.000 0.819 355 A HN 0.320 nan 8.150 nan 0.000 0.442 356 L N -0.302 121.039 121.223 0.197 0.000 2.012 356 L HA -0.180 4.161 4.340 0.001 0.000 0.210 356 L C 2.526 179.629 176.870 0.390 0.000 1.073 356 L CA 2.238 57.288 54.840 0.349 0.000 0.748 356 L CB -0.564 41.752 42.059 0.429 0.000 0.891 356 L HN 0.460 nan 8.230 nan 0.000 0.431 357 M N -0.832 118.817 119.600 0.082 0.000 2.082 357 M HA -0.292 4.189 4.480 0.001 0.000 0.258 357 M C 2.219 178.515 176.300 -0.007 0.000 1.069 357 M CA 2.017 57.205 55.300 -0.186 0.000 1.102 357 M CB -0.534 31.754 32.600 -0.520 0.000 1.336 357 M HN 0.191 nan 8.290 nan 0.000 0.404 358 K N -0.111 120.183 120.400 -0.178 0.000 2.097 358 K HA -0.118 4.203 4.320 0.001 0.000 0.206 358 K C 1.957 178.273 176.600 -0.474 0.000 1.049 358 K CA 1.126 57.019 56.287 -0.655 0.000 0.933 358 K CB -0.273 31.276 32.500 -1.585 0.000 0.717 358 K HN 0.401 nan 8.250 nan 0.000 0.442 359 R N -0.176 120.247 120.500 -0.127 0.000 2.241 359 R HA -0.073 4.268 4.340 0.001 0.000 0.224 359 R C 0.939 177.141 176.300 -0.163 0.000 1.101 359 R CA 0.899 56.988 56.100 -0.018 0.000 0.995 359 R CB -0.050 30.231 30.300 -0.032 0.000 0.870 359 R HN 0.141 nan 8.270 nan 0.000 0.463 360 F N 0.497 120.535 119.950 0.147 0.000 2.684 360 F HA 0.237 4.764 4.527 0.001 0.000 0.298 360 F C 0.197 176.107 175.800 0.183 0.000 1.120 360 F CA -0.498 57.601 58.000 0.164 0.000 1.332 360 F CB 0.229 39.342 39.000 0.188 0.000 0.986 360 F HN -0.067 nan 8.300 nan 0.000 0.524 361 N N -0.580 118.213 118.700 0.155 0.000 2.782 361 N HA -0.161 4.579 4.740 0.001 0.000 0.251 361 N C -0.487 175.105 175.510 0.136 0.000 1.101 361 N CA 0.422 53.509 53.050 0.062 0.000 0.764 361 N CB -1.643 36.822 38.487 -0.037 0.000 1.122 361 N HN 0.048 nan 8.380 nan 0.000 0.561 362 V N 2.085 122.128 119.914 0.214 0.000 2.521 362 V HA 0.084 4.204 4.120 0.001 0.000 0.286 362 V C 1.465 177.624 176.094 0.108 0.000 1.034 362 V CA 0.244 62.693 62.300 0.248 0.000 1.045 362 V CB 1.337 33.231 31.823 0.117 0.000 0.974 362 V HN 0.443 nan 8.190 nan 0.000 0.480 363 N N 2.921 121.714 118.700 0.156 0.000 2.187 363 N HA 0.390 5.131 4.740 0.001 0.000 0.212 363 N C -0.294 175.359 175.510 0.238 0.000 1.152 363 N CA 0.408 53.476 53.050 0.031 0.000 0.872 363 N CB 1.122 39.616 38.487 0.013 0.000 1.025 363 N HN 0.666 nan 8.380 nan 0.000 0.514 364 A N 0.109 123.158 122.820 0.383 0.000 2.604 364 A HA 0.723 5.044 4.320 0.001 0.000 0.295 364 A C -1.679 176.141 177.584 0.393 0.000 1.067 364 A CA -0.707 51.618 52.037 0.481 0.000 0.683 364 A CB 1.089 20.367 19.000 0.463 0.000 1.281 364 A HN 0.138 nan 8.150 nan 0.000 0.407 365 I N 1.113 121.929 120.570 0.411 0.000 2.499 365 I HA 0.480 4.651 4.170 0.001 0.000 0.288 365 I C -0.017 176.166 176.117 0.110 0.000 1.048 365 I CA -0.466 60.928 61.300 0.156 0.000 1.062 365 I CB 2.145 40.048 38.000 -0.162 0.000 1.238 365 I HN 0.770 nan 8.210 nan 0.000 0.426 366 R N 3.902 124.364 120.500 -0.064 0.000 2.294 366 R HA 0.399 4.739 4.340 0.001 0.000 0.319 366 R C -0.250 175.918 176.300 -0.219 0.000 0.984 366 R CA -0.377 55.505 56.100 -0.364 0.000 0.861 366 R CB 1.244 31.127 30.300 -0.696 0.000 1.104 366 R HN 0.712 nan 8.270 nan 0.000 0.451 367 T N 1.437 115.875 114.554 -0.194 0.000 3.185 367 T HA 0.129 4.480 4.350 0.001 0.000 0.287 367 T C 0.058 174.593 174.700 -0.275 0.000 1.051 367 T CA -0.679 61.317 62.100 -0.174 0.000 1.051 367 T CB 0.076 68.885 68.868 -0.098 0.000 1.034 367 T HN 0.494 nan 8.240 nan 0.000 0.685 368 S N 3.184 118.668 115.700 -0.360 0.000 2.430 368 S HA 0.293 4.764 4.470 0.001 0.000 0.289 368 S C -0.303 173.714 174.600 -0.971 0.000 1.143 368 S CA -0.922 56.885 58.200 -0.655 0.000 1.067 368 S CB 0.138 62.988 63.200 -0.584 0.000 0.964 368 S HN 0.752 nan 8.310 nan 0.000 0.485 369 H N 3.846 122.437 119.070 -0.800 0.000 2.439 369 H HA 0.338 4.895 4.556 0.001 0.000 0.230 369 H C -1.158 174.033 175.328 -0.229 0.000 1.420 369 H CA -0.315 55.538 56.048 -0.325 0.000 1.305 369 H CB -0.181 29.537 29.762 -0.074 0.000 1.667 369 H HN 0.889 nan 8.280 nan 0.000 0.515 370 Y N -2.807 117.546 120.300 0.089 0.000 2.810 370 Y HA 0.396 4.946 4.550 0.000 0.000 0.355 370 Y C -3.386 172.541 175.900 0.044 0.000 1.211 370 Y CA -3.030 55.108 58.100 0.063 0.000 1.112 370 Y CB 0.026 38.516 38.460 0.051 0.000 1.383 370 Y HN -0.087 nan 8.280 nan 0.000 0.458 371 P HA 0.229 nan 4.420 nan 0.000 0.271 371 P C -2.458 174.972 177.300 0.216 0.000 1.216 371 P CA -0.714 62.487 63.100 0.168 0.000 0.776 371 P CB 0.598 32.349 31.700 0.086 0.000 0.881 372 P HA 0.045 nan 4.420 nan 0.000 0.293 372 P C -0.328 176.943 177.300 -0.049 0.000 1.304 372 P CA -0.188 62.976 63.100 0.108 0.000 0.767 372 P CB 0.368 32.092 31.700 0.039 0.000 1.247 373 H N 1.597 120.545 119.070 -0.203 0.000 3.001 373 H HA 0.008 4.565 4.556 0.001 0.000 0.334 373 H C -1.261 173.653 175.328 -0.690 0.000 1.034 373 H CA -0.718 55.027 56.048 -0.504 0.000 1.420 373 H CB 0.456 29.735 29.762 -0.805 0.000 1.405 373 H HN 0.189 nan 8.280 nan 0.000 0.593 374 P HA -0.155 nan 4.420 nan 0.000 0.220 374 P C 1.459 178.122 177.300 -1.062 0.000 1.148 374 P CA 0.989 63.437 63.100 -1.087 0.000 0.803 374 P CB 0.262 30.884 31.700 -1.796 0.000 0.782 375 R N 0.262 120.255 120.500 -0.844 0.000 2.152 375 R HA -0.075 4.266 4.340 0.001 0.000 0.232 375 R C 2.211 178.400 176.300 -0.186 0.000 1.117 375 R CA 0.728 56.592 56.100 -0.393 0.000 0.981 375 R CB -1.785 28.398 30.300 -0.195 0.000 0.870 375 R HN 0.074 nan 8.270 nan 0.000 0.451 376 L N 0.062 121.112 121.223 -0.288 0.000 2.127 376 L HA -0.102 4.239 4.340 0.001 0.000 0.211 376 L C 1.720 178.536 176.870 -0.090 0.000 1.089 376 L CA 1.668 56.482 54.840 -0.043 0.000 0.757 376 L CB -0.239 41.808 42.059 -0.020 0.000 0.899 376 L HN 0.290 nan 8.230 nan 0.000 0.434 377 L N -1.211 119.862 121.223 -0.251 0.000 2.217 377 L HA -0.131 4.210 4.340 0.001 0.000 0.211 377 L C 2.086 178.851 176.870 -0.175 0.000 1.107 377 L CA 0.699 55.302 54.840 -0.394 0.000 0.783 377 L CB -0.667 40.794 42.059 -0.996 0.000 0.919 377 L HN 0.200 nan 8.230 nan 0.000 0.442 378 D N 0.225 120.660 120.400 0.058 0.000 2.123 378 D HA -0.162 4.479 4.640 0.001 0.000 0.196 378 D C 2.347 178.773 176.300 0.209 0.000 0.992 378 D CA 1.294 55.460 54.000 0.277 0.000 0.833 378 D CB -0.123 40.920 40.800 0.404 0.000 0.954 378 D HN 0.258 nan 8.370 nan 0.000 0.455 379 L N 0.432 121.755 121.223 0.167 0.000 2.056 379 L HA -0.095 4.246 4.340 0.001 0.000 0.207 379 L C 2.542 179.533 176.870 0.202 0.000 1.078 379 L CA 1.048 55.992 54.840 0.173 0.000 0.749 379 L CB -0.487 41.664 42.059 0.153 0.000 0.901 379 L HN -0.035 nan 8.230 nan 0.000 0.433 380 A N 0.085 123.005 122.820 0.165 0.000 1.902 380 A HA -0.224 4.097 4.320 0.001 0.000 0.217 380 A C 1.916 179.709 177.584 0.348 0.000 1.181 380 A CA 1.949 54.151 52.037 0.275 0.000 0.623 380 A CB -0.499 18.587 19.000 0.144 0.000 0.818 380 A HN 0.348 nan 8.150 nan 0.000 0.443 381 D N -0.713 119.848 120.400 0.269 0.000 2.144 381 D HA -0.153 4.488 4.640 0.001 0.000 0.199 381 D C 1.893 178.478 176.300 0.475 0.000 0.984 381 D CA 1.526 55.728 54.000 0.336 0.000 0.834 381 D CB -0.244 40.682 40.800 0.209 0.000 0.955 381 D HN 0.758 nan 8.370 nan 0.000 0.465 382 E N -0.360 120.022 120.200 0.304 0.000 2.122 382 E HA -0.025 4.325 4.350 0.001 0.000 0.190 382 E C 1.917 178.608 176.600 0.152 0.000 0.977 382 E CA 0.340 56.874 56.400 0.224 0.000 0.820 382 E CB 0.134 29.942 29.700 0.179 0.000 0.770 382 E HN 0.186 nan 8.360 nan 0.000 0.462 383 M N -0.594 119.099 119.600 0.154 0.000 2.435 383 M HA 0.172 4.652 4.480 0.001 0.000 0.265 383 M C 0.625 176.798 176.300 -0.212 0.000 1.104 383 M CA 0.794 56.119 55.300 0.041 0.000 1.140 383 M CB 1.016 33.707 32.600 0.151 0.000 1.372 383 M HN 0.194 nan 8.290 nan 0.000 0.456 384 G N 1.770 110.481 108.800 -0.148 0.000 2.858 384 G HA2 -0.155 3.806 3.960 0.001 0.000 0.272 384 G HA3 -0.155 3.806 3.960 0.001 0.000 0.272 384 G C -1.023 173.425 174.900 -0.754 0.000 1.003 384 G CA -0.826 43.989 45.100 -0.475 0.000 1.241 384 G HN 0.276 nan 8.290 nan 0.000 0.569 385 F N -0.310 119.567 119.950 -0.120 0.000 2.569 385 F HA 0.678 5.206 4.527 0.001 0.000 0.312 385 F C 0.379 176.200 175.800 0.035 0.000 1.109 385 F CA -1.216 56.715 58.000 -0.116 0.000 0.919 385 F CB 1.413 40.392 39.000 -0.034 0.000 1.211 385 F HN 0.333 nan 8.300 nan 0.000 0.446 386 W N 2.978 124.497 121.300 0.365 0.000 2.253 386 W HA 0.567 5.228 4.660 0.001 0.000 0.322 386 W C -0.805 175.921 176.519 0.344 0.000 1.342 386 W CA -0.669 56.903 57.345 0.378 0.000 1.218 386 W CB 0.593 30.282 29.460 0.381 0.000 1.205 386 W HN 0.073 nan 8.180 nan 0.000 0.551 387 V N 5.594 125.774 119.914 0.444 0.000 2.495 387 V HA 0.376 4.497 4.120 0.001 0.000 0.298 387 V C -0.053 176.068 176.094 0.045 0.000 1.031 387 V CA -1.129 61.288 62.300 0.196 0.000 0.871 387 V CB 1.610 33.476 31.823 0.072 0.000 0.988 387 V HN 0.344 nan 8.190 nan 0.000 0.432 388 I N 5.503 126.004 120.570 -0.115 0.000 2.297 388 I HA 0.288 4.459 4.170 0.001 0.000 0.291 388 I C -0.490 175.521 176.117 -0.177 0.000 1.033 388 I CA -0.376 60.762 61.300 -0.269 0.000 1.253 388 I CB 1.199 38.831 38.000 -0.613 0.000 1.396 388 I HN 0.292 nan 8.210 nan 0.000 0.476 389 L N 7.751 128.926 121.223 -0.080 0.000 2.257 389 L HA 0.420 4.760 4.340 0.001 0.000 0.290 389 L C -0.201 176.768 176.870 0.164 0.000 1.044 389 L CA 0.076 54.948 54.840 0.054 0.000 0.810 389 L CB 1.159 43.303 42.059 0.141 0.000 1.193 389 L HN 0.669 nan 8.230 nan 0.000 0.425 390 E N 3.795 124.051 120.200 0.094 0.000 2.179 390 E HA 0.180 4.531 4.350 0.001 0.000 0.275 390 E C -0.801 175.878 176.600 0.133 0.000 0.945 390 E CA -0.586 55.883 56.400 0.116 0.000 0.792 390 E CB 1.675 31.418 29.700 0.071 0.000 1.125 390 E HN 0.782 nan 8.360 nan 0.000 0.397 391 C N 3.702 123.075 119.300 0.121 0.000 2.689 391 C HA 0.075 4.536 4.460 0.001 0.000 0.409 391 C C 0.411 175.470 174.990 0.116 0.000 1.293 391 C CA -0.240 58.825 59.018 0.078 0.000 2.136 391 C CB 0.062 27.806 27.740 0.007 0.000 2.719 391 C HN 0.749 nan 8.230 nan 0.000 0.644 392 D N 3.287 123.763 120.400 0.128 0.000 2.455 392 D HA 0.378 5.019 4.640 0.001 0.000 0.234 392 D C -0.771 175.600 176.300 0.119 0.000 1.224 392 D CA 0.332 54.444 54.000 0.186 0.000 0.999 392 D CB -0.390 40.504 40.800 0.157 0.000 1.072 392 D HN 0.496 nan 8.370 nan 0.000 0.514 393 L N 2.807 124.097 121.223 0.112 0.000 2.614 393 L HA 0.465 4.806 4.340 0.001 0.000 0.264 393 L C -1.746 175.163 176.870 0.064 0.000 0.940 393 L CA -0.335 54.539 54.840 0.057 0.000 0.903 393 L CB 2.054 44.096 42.059 -0.029 0.000 1.306 393 L HN 0.188 nan 8.230 nan 0.000 0.410 394 E N 1.982 122.238 120.200 0.092 0.000 2.349 394 E HA 0.457 4.808 4.350 0.001 0.000 0.290 394 E C -0.953 175.764 176.600 0.195 0.000 0.901 394 E CA 0.132 56.591 56.400 0.099 0.000 0.800 394 E CB 1.477 31.212 29.700 0.057 0.000 1.303 394 E HN 0.639 nan 8.360 nan 0.000 0.397 395 T N 0.582 115.292 114.554 0.259 0.000 3.293 395 T HA 0.144 4.495 4.350 0.001 0.000 0.276 395 T C 0.983 176.053 174.700 0.617 0.000 1.003 395 T CA -0.267 62.116 62.100 0.472 0.000 0.916 395 T CB -0.244 68.806 68.868 0.302 0.000 1.134 395 T HN 0.644 nan 8.240 nan 0.000 0.530 396 H N 1.101 120.314 119.070 0.239 0.000 2.426 396 H HA -0.052 4.504 4.556 0.001 0.000 0.298 396 H C 2.348 177.623 175.328 -0.089 0.000 1.107 396 H CA 1.049 57.173 56.048 0.128 0.000 1.298 396 H CB -0.283 29.460 29.762 -0.031 0.000 1.377 396 H HN 0.569 nan 8.280 nan 0.000 0.519 397 G N -0.669 108.020 108.800 -0.184 0.000 2.535 397 G HA2 -0.228 3.733 3.960 0.001 0.000 0.218 397 G HA3 -0.228 3.733 3.960 0.001 0.000 0.218 397 G C 1.059 175.879 174.900 -0.133 0.000 1.122 397 G CA 0.216 45.098 45.100 -0.363 0.000 0.769 397 G HN 0.359 nan 8.290 nan 0.000 0.549 398 F N 0.402 120.371 119.950 0.032 0.000 2.661 398 F HA 0.137 4.666 4.527 0.003 0.000 0.298 398 F C 2.342 177.762 175.800 -0.634 0.000 1.137 398 F CA 0.847 58.801 58.000 -0.077 0.000 1.454 398 F CB 0.197 39.331 39.000 0.222 0.000 1.103 398 F HN 0.265 nan 8.300 nan 0.000 0.577 399 E N 0.745 120.345 120.200 -1.000 0.000 2.051 399 E HA -0.231 4.120 4.350 0.001 0.000 0.192 399 E C 2.452 178.615 176.600 -0.728 0.000 0.991 399 E CA 1.141 56.625 56.400 -1.526 0.000 0.799 399 E CB -0.140 28.985 29.700 -0.958 0.000 0.748 399 E HN 0.292 nan 8.360 nan 0.000 0.449 400 A N 0.721 123.271 122.820 -0.451 0.000 1.917 400 A HA -0.143 4.177 4.320 0.001 0.000 0.219 400 A C 2.225 179.682 177.584 -0.211 0.000 1.182 400 A CA 1.743 53.610 52.037 -0.283 0.000 0.633 400 A CB -1.040 17.815 19.000 -0.242 0.000 0.819 400 A HN 0.415 nan 8.150 nan 0.000 0.448 401 G N -1.868 106.815 108.800 -0.194 0.000 3.327 401 G HA2 0.401 4.362 3.960 0.001 0.000 0.240 401 G HA3 0.401 4.362 3.960 0.001 0.000 0.240 401 G C 1.050 175.926 174.900 -0.041 0.000 1.222 401 G CA 0.446 45.491 45.100 -0.092 0.000 0.871 401 G HN 1.631 nan 8.290 nan 0.000 0.525 402 G N -1.105 107.632 108.800 -0.105 0.000 2.176 402 G HA2 -0.299 3.662 3.960 0.001 0.000 0.252 402 G HA3 -0.299 3.662 3.960 0.001 0.000 0.252 402 G C 0.565 175.586 174.900 0.201 0.000 1.024 402 G CA 0.147 45.261 45.100 0.022 0.000 0.755 402 G HN 0.916 nan 8.290 nan 0.000 0.507 403 W N -3.674 117.712 121.300 0.143 0.000 3.834 403 W HA -0.231 4.431 4.660 0.003 0.000 0.320 403 W C 0.942 177.547 176.519 0.144 0.000 1.201 403 W CA 0.182 57.627 57.345 0.166 0.000 0.701 403 W CB -2.044 27.479 29.460 0.105 0.000 2.264 403 W HN 0.515 nan 8.180 nan 0.000 1.413 404 V N 1.659 121.758 119.914 0.309 0.000 2.572 404 V HA -0.004 4.116 4.120 0.001 0.000 0.291 404 V C 1.557 177.816 176.094 0.275 0.000 1.039 404 V CA 1.031 63.469 62.300 0.230 0.000 1.055 404 V CB 1.068 32.986 31.823 0.158 0.000 0.969 404 V HN 0.354 nan 8.190 nan 0.000 0.482 405 E N 1.411 121.713 120.200 0.171 0.000 3.496 405 E HA -0.239 4.112 4.350 0.001 0.000 0.300 405 E C 0.439 176.935 176.600 -0.174 0.000 0.877 405 E CA 0.569 57.036 56.400 0.112 0.000 1.050 405 E CB -0.908 28.929 29.700 0.228 0.000 1.532 405 E HN 0.833 nan 8.360 nan 0.000 0.447 406 N N 1.327 119.911 118.700 -0.193 0.000 2.365 406 N HA -0.020 4.720 4.740 0.001 0.000 0.265 406 N C -1.615 173.583 175.510 -0.521 0.000 1.288 406 N CA -1.083 51.651 53.050 -0.527 0.000 0.869 406 N CB 0.841 39.354 38.487 0.044 0.000 1.071 406 N HN -0.159 nan 8.380 nan 0.000 0.480 407 P HA -0.129 nan 4.420 nan 0.000 0.218 407 P C 0.793 177.864 177.300 -0.382 0.000 1.146 407 P CA 1.252 63.852 63.100 -0.833 0.000 0.820 407 P CB 0.187 31.060 31.700 -1.378 0.000 0.778 408 S N -1.216 114.286 115.700 -0.329 0.000 2.442 408 S HA -0.149 4.322 4.470 0.001 0.000 0.236 408 S C 1.306 175.795 174.600 -0.186 0.000 1.007 408 S CA 1.449 59.500 58.200 -0.250 0.000 0.965 408 S CB -0.543 62.492 63.200 -0.275 0.000 0.773 408 S HN 0.217 nan 8.310 nan 0.000 0.504 409 D N 0.331 120.645 120.400 -0.143 0.000 2.563 409 D HA 0.206 4.847 4.640 0.001 0.000 0.237 409 D C -0.934 175.349 176.300 -0.029 0.000 1.282 409 D CA -0.002 53.947 54.000 -0.085 0.000 0.816 409 D CB 0.649 41.406 40.800 -0.073 0.000 1.066 409 D HN -0.020 nan 8.370 nan 0.000 0.501 410 V N 2.002 121.924 119.914 0.013 0.000 2.370 410 V HA 0.295 4.415 4.120 0.001 0.000 0.283 410 V C -1.401 174.749 176.094 0.094 0.000 1.023 410 V CA -1.444 60.908 62.300 0.088 0.000 0.857 410 V CB 1.882 33.831 31.823 0.209 0.000 0.985 410 V HN -0.041 nan 8.190 nan 0.000 0.443 411 P HA -0.153 nan 4.420 nan 0.000 0.218 411 P C 1.502 178.785 177.300 -0.028 0.000 1.148 411 P CA 1.528 64.626 63.100 -0.004 0.000 0.822 411 P CB 0.263 31.949 31.700 -0.023 0.000 0.784 412 A N -1.802 120.971 122.820 -0.079 0.000 2.076 412 A HA -0.151 4.170 4.320 0.001 0.000 0.220 412 A C 1.622 179.050 177.584 -0.260 0.000 1.160 412 A CA 1.189 53.096 52.037 -0.217 0.000 0.653 412 A CB -1.673 17.118 19.000 -0.348 0.000 0.801 412 A HN 0.297 nan 8.150 nan 0.000 0.455 413 W N -1.134 120.108 121.300 -0.097 0.000 3.278 413 W HA 0.285 4.945 4.660 -0.001 0.000 0.308 413 W C 2.091 178.549 176.519 -0.102 0.000 1.253 413 W CA 0.007 57.294 57.345 -0.097 0.000 1.759 413 W CB 0.148 29.543 29.460 -0.109 0.000 1.093 413 W HN 0.268 nan 8.180 nan 0.000 0.648 414 R N 1.075 121.628 120.500 0.088 0.000 2.083 414 R HA -0.178 4.163 4.340 0.001 0.000 0.237 414 R C 1.430 177.714 176.300 -0.026 0.000 1.137 414 R CA 2.300 58.406 56.100 0.009 0.000 0.951 414 R CB -0.340 29.946 30.300 -0.024 0.000 0.851 414 R HN 0.033 nan 8.270 nan 0.000 0.434 415 D N 0.230 120.609 120.400 -0.036 0.000 2.144 415 D HA -0.132 4.508 4.640 0.001 0.000 0.199 415 D C 1.738 177.998 176.300 -0.067 0.000 0.984 415 D CA 1.452 55.413 54.000 -0.066 0.000 0.834 415 D CB -0.288 40.470 40.800 -0.070 0.000 0.955 415 D HN 0.410 nan 8.370 nan 0.000 0.465 416 A N 0.542 123.356 122.820 -0.009 0.000 1.902 416 A HA -0.145 4.176 4.320 0.001 0.000 0.217 416 A C 2.169 179.745 177.584 -0.014 0.000 1.181 416 A CA 1.003 53.053 52.037 0.022 0.000 0.623 416 A CB -0.609 18.484 19.000 0.156 0.000 0.818 416 A HN 0.133 nan 8.150 nan 0.000 0.443 417 L N -0.571 120.644 121.223 -0.014 0.000 2.056 417 L HA -0.100 4.241 4.340 0.001 0.000 0.207 417 L C 2.576 179.353 176.870 -0.155 0.000 1.078 417 L CA 1.352 56.145 54.840 -0.079 0.000 0.749 417 L CB -0.636 41.365 42.059 -0.095 0.000 0.901 417 L HN 0.203 nan 8.230 nan 0.000 0.433 418 V N -0.377 119.432 119.914 -0.175 0.000 2.343 418 V HA -0.317 3.803 4.120 0.001 0.000 0.247 418 V C 2.232 178.086 176.094 -0.400 0.000 1.051 418 V CA 1.906 64.037 62.300 -0.280 0.000 1.036 418 V CB -0.649 31.027 31.823 -0.246 0.000 0.654 418 V HN 0.514 nan 8.190 nan 0.000 0.451 419 D N -0.047 120.176 120.400 -0.295 0.000 2.123 419 D HA -0.211 4.430 4.640 0.001 0.000 0.196 419 D C 2.347 178.477 176.300 -0.285 0.000 0.992 419 D CA 1.447 55.268 54.000 -0.297 0.000 0.833 419 D CB -0.077 40.610 40.800 -0.187 0.000 0.954 419 D HN 0.325 nan 8.370 nan 0.000 0.455 420 R N -0.852 119.525 120.500 -0.205 0.000 2.081 420 R HA -0.115 4.225 4.340 0.001 0.000 0.235 420 R C 2.239 178.402 176.300 -0.228 0.000 1.131 420 R CA 1.422 57.424 56.100 -0.163 0.000 0.960 420 R CB -0.331 29.915 30.300 -0.091 0.000 0.856 420 R HN 0.294 nan 8.270 nan 0.000 0.436 421 M N 1.139 120.564 119.600 -0.291 0.000 2.117 421 M HA -0.170 4.311 4.480 0.001 0.000 0.262 421 M C 2.057 178.055 176.300 -0.503 0.000 1.065 421 M CA 1.720 56.824 55.300 -0.326 0.000 1.114 421 M CB -0.163 32.273 32.600 -0.272 0.000 1.361 421 M HN 0.090 nan 8.290 nan 0.000 0.408 422 E N -0.461 119.258 120.200 -0.802 0.000 2.077 422 E HA -0.250 4.101 4.350 0.001 0.000 0.193 422 E C 2.070 178.382 176.600 -0.481 0.000 0.989 422 E CA 1.381 57.145 56.400 -1.060 0.000 0.800 422 E CB -0.077 28.890 29.700 -1.222 0.000 0.746 422 E HN 0.524 nan 8.360 nan 0.000 0.452 423 R N -0.081 120.206 120.500 -0.355 0.000 2.096 423 R HA -0.070 4.270 4.340 0.001 0.000 0.235 423 R C 2.507 178.694 176.300 -0.190 0.000 1.127 423 R CA 1.866 57.833 56.100 -0.222 0.000 0.968 423 R CB -0.368 29.830 30.300 -0.171 0.000 0.861 423 R HN 0.197 nan 8.270 nan 0.000 0.440 424 T N 0.462 114.889 114.554 -0.212 0.000 2.622 424 T HA -0.129 4.222 4.350 0.001 0.000 0.266 424 T C 1.967 176.474 174.700 -0.322 0.000 1.047 424 T CA 1.577 63.567 62.100 -0.184 0.000 1.159 424 T CB -0.246 68.528 68.868 -0.157 0.000 0.863 424 T HN -0.014 nan 8.240 nan 0.000 0.422 425 V N 1.725 121.302 119.914 -0.563 0.000 2.295 425 V HA -0.127 3.993 4.120 0.001 0.000 0.246 425 V C 2.712 178.573 176.094 -0.387 0.000 1.049 425 V CA 1.547 63.306 62.300 -0.903 0.000 1.024 425 V CB -0.540 30.841 31.823 -0.737 0.000 0.648 425 V HN 0.436 nan 8.190 nan 0.000 0.447 426 E N 0.039 120.109 120.200 -0.216 0.000 2.110 426 E HA -0.236 4.114 4.350 0.001 0.000 0.193 426 E C 2.316 178.856 176.600 -0.100 0.000 0.988 426 E CA 1.113 57.426 56.400 -0.145 0.000 0.804 426 E CB -0.338 29.312 29.700 -0.082 0.000 0.745 426 E HN 0.498 nan 8.360 nan 0.000 0.458 427 R N 0.652 121.115 120.500 -0.061 0.000 2.081 427 R HA -0.131 4.209 4.340 0.001 0.000 0.235 427 R C 0.653 177.016 176.300 0.105 0.000 1.131 427 R CA 1.530 57.640 56.100 0.018 0.000 0.960 427 R CB 0.201 30.498 30.300 -0.005 0.000 0.856 427 R HN 0.002 nan 8.270 nan 0.000 0.436 428 D N -0.547 119.949 120.400 0.161 0.000 2.433 428 D HA -0.010 4.631 4.640 0.001 0.000 0.211 428 D C 1.011 177.529 176.300 0.363 0.000 1.114 428 D CA 0.175 54.397 54.000 0.371 0.000 0.837 428 D CB 0.503 41.547 40.800 0.406 0.000 0.984 428 D HN 0.389 nan 8.370 nan 0.000 0.505 429 K N 0.433 120.917 120.400 0.140 0.000 2.281 429 K HA -0.064 4.257 4.320 0.001 0.000 0.203 429 K C 1.170 177.712 176.600 -0.097 0.000 1.046 429 K CA 0.880 57.133 56.287 -0.058 0.000 0.938 429 K CB -0.025 31.996 32.500 -0.798 0.000 0.737 429 K HN -0.066 nan 8.250 nan 0.000 0.458 430 N N 0.706 119.343 118.700 -0.105 0.000 2.467 430 N HA -0.035 4.706 4.740 0.001 0.000 0.184 430 N C -0.378 175.050 175.510 -0.138 0.000 1.106 430 N CA 0.339 53.362 53.050 -0.045 0.000 0.892 430 N CB 0.101 38.530 38.487 -0.098 0.000 0.969 430 N HN 0.343 nan 8.380 nan 0.000 0.454 431 H N 1.193 120.283 119.070 0.032 0.000 2.604 431 H HA 0.121 4.677 4.556 0.001 0.000 0.306 431 H C -1.281 173.938 175.328 -0.181 0.000 1.075 431 H CA -1.414 54.599 56.048 -0.059 0.000 1.357 431 H CB 1.623 31.364 29.762 -0.034 0.000 1.426 431 H HN 0.078 nan 8.280 nan 0.000 0.470 432 P HA -0.147 nan 4.420 nan 0.000 0.221 432 P C 1.480 178.368 177.300 -0.686 0.000 1.150 432 P CA 0.968 63.760 63.100 -0.514 0.000 0.800 432 P CB 0.290 31.443 31.700 -0.912 0.000 0.787 433 S N -0.060 115.230 115.700 -0.684 0.000 2.419 433 S HA -0.109 4.362 4.470 0.001 0.000 0.235 433 S C 1.148 175.746 174.600 -0.003 0.000 1.019 433 S CA 0.523 58.519 58.200 -0.339 0.000 0.982 433 S CB -1.410 61.768 63.200 -0.036 0.000 0.789 433 S HN 0.092 nan 8.310 nan 0.000 0.490 434 I N 2.890 123.413 120.570 -0.079 0.000 2.379 434 I HA 0.134 4.305 4.170 0.001 0.000 0.290 434 I C 0.949 177.000 176.117 -0.111 0.000 1.063 434 I CA -0.438 60.781 61.300 -0.136 0.000 1.351 434 I CB 1.512 39.300 38.000 -0.353 0.000 1.410 434 I HN 0.190 nan 8.210 nan 0.000 0.505 435 V N 3.615 123.541 119.914 0.021 0.000 3.556 435 V HA 0.424 4.545 4.120 0.001 0.000 0.287 435 V C 0.431 176.588 176.094 0.105 0.000 1.422 435 V CA 0.015 62.398 62.300 0.137 0.000 1.038 435 V CB 0.131 32.192 31.823 0.397 0.000 0.850 435 V HN 0.652 nan 8.190 nan 0.000 0.437 436 M N 0.011 119.557 119.600 -0.090 0.000 2.421 436 M HA 0.433 4.914 4.480 0.001 0.000 0.287 436 M C -2.068 174.116 176.300 -0.194 0.000 1.183 436 M CA -0.235 55.016 55.300 -0.082 0.000 0.916 436 M CB 3.074 35.648 32.600 -0.042 0.000 1.701 436 M HN 0.279 nan 8.290 nan 0.000 0.470 437 W N 0.947 122.305 121.300 0.097 0.000 2.376 437 W HA 0.544 5.205 4.660 0.002 0.000 0.322 437 W C 0.390 176.963 176.519 0.089 0.000 1.160 437 W CA -0.476 56.912 57.345 0.071 0.000 1.218 437 W CB 1.307 30.816 29.460 0.081 0.000 1.205 437 W HN 0.470 nan 8.180 nan 0.000 0.559 438 S N 2.787 118.689 115.700 0.337 0.000 2.482 438 S HA 0.377 4.847 4.470 0.001 0.000 0.303 438 S C 0.581 175.316 174.600 0.226 0.000 1.091 438 S CA -0.724 57.662 58.200 0.311 0.000 1.057 438 S CB 0.861 64.222 63.200 0.269 0.000 1.031 438 S HN 0.585 nan 8.310 nan 0.000 0.485 439 L N 3.757 125.085 121.223 0.176 0.000 2.376 439 L HA 0.281 4.621 4.340 0.001 0.000 0.219 439 L C 1.449 178.287 176.870 -0.054 0.000 1.133 439 L CA 0.722 55.553 54.840 -0.016 0.000 0.816 439 L CB -0.914 41.014 42.059 -0.218 0.000 0.933 439 L HN 0.932 nan 8.230 nan 0.000 0.449 440 G N -0.441 108.409 108.800 0.083 0.000 2.320 440 G HA2 -0.034 3.927 3.960 0.001 0.000 0.274 440 G HA3 -0.034 3.927 3.960 0.001 0.000 0.274 440 G C -1.891 173.124 174.900 0.191 0.000 1.324 440 G CA -0.609 44.537 45.100 0.077 0.000 0.957 440 G HN 0.087 nan 8.290 nan 0.000 0.481 441 N N 0.146 118.901 118.700 0.093 0.000 2.369 441 N HA 0.475 5.216 4.740 0.001 0.000 0.287 441 N C -0.341 175.125 175.510 -0.073 0.000 1.067 441 N CA 0.004 53.005 53.050 -0.082 0.000 0.888 441 N CB 1.614 39.728 38.487 -0.621 0.000 1.616 441 N HN 0.818 nan 8.380 nan 0.000 0.482 442 E N 0.909 121.031 120.200 -0.131 0.000 2.183 442 E HA -0.178 4.172 4.350 0.001 0.000 0.196 442 E C -0.763 175.885 176.600 0.080 0.000 1.364 442 E CA 0.715 57.002 56.400 -0.188 0.000 0.700 442 E CB -1.351 27.987 29.700 -0.603 0.000 1.106 442 E HN 0.441 nan 8.360 nan 0.000 0.347 443 S N -0.111 115.667 115.700 0.130 0.000 2.741 443 S HA 0.392 4.863 4.470 0.001 0.000 0.247 443 S C 0.825 175.207 174.600 -0.363 0.000 1.050 443 S CA -0.082 58.157 58.200 0.066 0.000 1.025 443 S CB 1.256 64.453 63.200 -0.004 0.000 0.897 443 S HN 0.813 nan 8.310 nan 0.000 0.508 444 G N 1.798 110.109 108.800 -0.815 0.000 2.574 444 G HA2 -0.254 3.707 3.960 0.001 0.000 0.282 444 G HA3 -0.254 3.707 3.960 0.001 0.000 0.282 444 G C -0.020 174.553 174.900 -0.545 0.000 1.257 444 G CA 0.405 44.679 45.100 -1.376 0.000 0.956 444 G HN 0.595 nan 8.290 nan 0.000 0.560 445 T N -1.278 112.977 114.554 -0.499 0.000 2.865 445 T HA 0.850 5.200 4.350 0.001 0.000 0.294 445 T C 0.080 174.673 174.700 -0.179 0.000 1.119 445 T CA 1.004 63.007 62.100 -0.162 0.000 1.007 445 T CB 1.393 70.237 68.868 -0.041 0.000 1.225 445 T HN 2.636 nan 8.240 nan 0.000 0.515 446 G N 0.228 108.954 108.800 -0.124 0.000 2.328 446 G HA2 0.351 4.311 3.960 0.001 0.000 0.299 446 G HA3 0.351 4.311 3.960 0.001 0.000 0.299 446 G C 0.523 175.307 174.900 -0.194 0.000 1.435 446 G CA 0.493 45.507 45.100 -0.144 0.000 0.865 446 G HN 0.740 nan 8.290 nan 0.000 0.601 447 S N -0.530 115.083 115.700 -0.145 0.000 2.399 447 S HA -0.129 4.342 4.470 0.001 0.000 0.231 447 S C 2.096 176.576 174.600 -0.200 0.000 1.022 447 S CA 2.161 60.270 58.200 -0.152 0.000 0.983 447 S CB -0.320 62.828 63.200 -0.087 0.000 0.803 447 S HN 0.520 nan 8.310 nan 0.000 0.480 448 N N 1.470 120.059 118.700 -0.186 0.000 2.188 448 N HA 0.027 4.767 4.740 0.001 0.000 0.184 448 N C 1.687 177.030 175.510 -0.278 0.000 1.018 448 N CA 0.933 53.871 53.050 -0.186 0.000 0.858 448 N CB -0.589 37.817 38.487 -0.135 0.000 0.989 448 N HN 0.397 nan 8.380 nan 0.000 0.426 449 L N 0.732 121.724 121.223 -0.385 0.000 2.056 449 L HA -0.058 4.282 4.340 0.001 0.000 0.207 449 L C 2.395 178.819 176.870 -0.743 0.000 1.078 449 L CA 1.083 55.597 54.840 -0.542 0.000 0.749 449 L CB -0.494 41.209 42.059 -0.593 0.000 0.901 449 L HN 0.098 nan 8.230 nan 0.000 0.433 450 A N -0.059 122.198 122.820 -0.940 0.000 1.978 450 A HA -0.217 4.103 4.320 0.001 0.000 0.220 450 A C 2.479 179.861 177.584 -0.337 0.000 1.170 450 A CA 1.841 53.390 52.037 -0.813 0.000 0.636 450 A CB -0.688 17.998 19.000 -0.523 0.000 0.810 450 A HN 0.429 nan 8.150 nan 0.000 0.448 451 A N -0.700 121.969 122.820 -0.251 0.000 1.929 451 A HA -0.032 4.288 4.320 0.001 0.000 0.216 451 A C 2.211 179.750 177.584 -0.076 0.000 1.176 451 A CA 1.617 53.583 52.037 -0.117 0.000 0.628 451 A CB -0.490 18.450 19.000 -0.100 0.000 0.816 451 A HN 0.534 nan 8.150 nan 0.000 0.444 452 M N -0.364 119.147 119.600 -0.148 0.000 2.086 452 M HA -0.140 4.341 4.480 0.001 0.000 0.261 452 M C 2.537 178.806 176.300 -0.051 0.000 1.067 452 M CA 1.520 56.758 55.300 -0.104 0.000 1.116 452 M CB -0.445 32.047 32.600 -0.179 0.000 1.348 452 M HN 0.449 nan 8.290 nan 0.000 0.407 453 A N 0.466 123.209 122.820 -0.127 0.000 1.908 453 A HA -0.089 4.232 4.320 0.001 0.000 0.218 453 A C 2.384 179.851 177.584 -0.195 0.000 1.181 453 A CA 2.021 53.959 52.037 -0.164 0.000 0.627 453 A CB -1.003 17.969 19.000 -0.047 0.000 0.818 453 A HN 0.510 nan 8.150 nan 0.000 0.445 454 A N -1.860 120.938 122.820 -0.036 0.000 1.933 454 A HA -0.144 4.177 4.320 0.001 0.000 0.218 454 A C 1.980 179.604 177.584 0.065 0.000 1.175 454 A CA 1.485 53.559 52.037 0.061 0.000 0.628 454 A CB -0.808 18.230 19.000 0.062 0.000 0.814 454 A HN 0.844 nan 8.150 nan 0.000 0.444 455 W N 0.498 121.750 121.300 -0.080 0.000 2.379 455 W HA -0.047 4.611 4.660 -0.003 0.000 0.307 455 W C 2.455 178.929 176.519 -0.075 0.000 1.200 455 W CA 2.058 59.358 57.345 -0.074 0.000 1.297 455 W CB -0.127 29.268 29.460 -0.108 0.000 1.140 455 W HN 0.332 nan 8.180 nan 0.000 0.507 456 A N -0.665 122.205 122.820 0.083 0.000 1.902 456 A HA -0.232 4.088 4.320 0.001 0.000 0.217 456 A C 1.641 179.185 177.584 -0.067 0.000 1.181 456 A CA 1.991 53.985 52.037 -0.071 0.000 0.623 456 A CB -1.367 17.616 19.000 -0.030 0.000 0.818 456 A HN 0.602 nan 8.150 nan 0.000 0.443 457 H N -0.804 118.262 119.070 -0.006 0.000 2.352 457 H HA -0.053 4.502 4.556 -0.001 0.000 0.299 457 H C 2.461 177.743 175.328 -0.076 0.000 1.097 457 H CA 0.894 56.944 56.048 0.003 0.000 1.311 457 H CB 0.040 29.821 29.762 0.031 0.000 1.377 457 H HN 0.570 nan 8.280 nan 0.000 0.504 458 A N 0.684 123.472 122.820 -0.052 0.000 1.968 458 A HA -0.138 4.182 4.320 0.001 0.000 0.217 458 A C 2.219 179.648 177.584 -0.259 0.000 1.169 458 A CA 1.431 53.373 52.037 -0.158 0.000 0.638 458 A CB -0.202 18.669 19.000 -0.215 0.000 0.812 458 A HN 0.196 nan 8.150 nan 0.000 0.446 459 R N -0.118 120.095 120.500 -0.478 0.000 2.066 459 R HA 0.008 4.349 4.340 0.001 0.000 0.224 459 R C -0.568 175.718 176.300 -0.023 0.000 1.122 459 R CA 1.500 57.317 56.100 -0.471 0.000 0.974 459 R CB 0.042 29.655 30.300 -1.146 0.000 0.871 459 R HN 0.316 nan 8.270 nan 0.000 0.435 460 D N -0.608 119.828 120.400 0.060 0.000 2.375 460 D HA 0.098 4.738 4.640 0.001 0.000 0.259 460 D C -0.297 176.181 176.300 0.298 0.000 1.235 460 D CA -0.051 54.166 54.000 0.361 0.000 0.924 460 D CB 1.257 42.335 40.800 0.464 0.000 1.143 460 D HN 0.184 nan 8.370 nan 0.000 0.529 461 S N 0.910 116.735 115.700 0.208 0.000 2.603 461 S HA -0.102 4.368 4.470 0.001 0.000 0.229 461 S C 1.599 176.288 174.600 0.148 0.000 0.972 461 S CA 0.641 58.925 58.200 0.141 0.000 0.935 461 S CB -0.175 63.059 63.200 0.058 0.000 0.769 461 S HN 0.303 nan 8.310 nan 0.000 0.536 462 S N 0.615 116.443 115.700 0.213 0.000 2.528 462 S HA 0.284 4.754 4.470 0.001 0.000 0.219 462 S C 0.550 175.236 174.600 0.143 0.000 0.985 462 S CA -0.656 57.643 58.200 0.166 0.000 0.914 462 S CB -0.056 63.265 63.200 0.201 0.000 0.776 462 S HN 0.499 nan 8.310 nan 0.000 0.526 463 R N 1.385 121.999 120.500 0.191 0.000 2.574 463 R HA 0.537 4.877 4.340 0.001 0.000 0.288 463 R C -3.222 173.206 176.300 0.214 0.000 1.004 463 R CA -2.061 54.109 56.100 0.116 0.000 0.895 463 R CB 1.733 31.976 30.300 -0.095 0.000 1.191 463 R HN 0.171 nan 8.270 nan 0.000 0.444 464 P HA 0.067 nan 4.420 nan 0.000 0.272 464 P C -0.729 176.758 177.300 0.312 0.000 1.230 464 P CA -0.431 62.827 63.100 0.263 0.000 0.788 464 P CB 0.681 32.539 31.700 0.263 0.000 0.949 465 V N 2.769 122.884 119.914 0.336 0.000 2.427 465 V HA 0.246 4.367 4.120 0.001 0.000 0.286 465 V C 0.126 176.380 176.094 0.265 0.000 1.034 465 V CA -0.306 62.167 62.300 0.289 0.000 0.893 465 V CB 0.777 32.691 31.823 0.152 0.000 0.982 465 V HN 0.620 nan 8.190 nan 0.000 0.452 466 H N 4.957 124.114 119.070 0.146 0.000 2.495 466 H HA 0.535 5.092 4.556 0.001 0.000 0.348 466 H C -2.182 173.243 175.328 0.161 0.000 1.113 466 H CA -0.611 55.484 56.048 0.079 0.000 1.195 466 H CB 1.806 31.552 29.762 -0.027 0.000 1.521 466 H HN 0.642 nan 8.280 nan 0.000 0.509 467 Y N 5.070 125.021 120.300 -0.582 0.000 2.262 467 Y HA 0.067 4.618 4.550 0.001 0.000 0.317 467 Y C 0.446 176.045 175.900 -0.502 0.000 1.230 467 Y CA -0.823 57.012 58.100 -0.442 0.000 1.166 467 Y CB 0.834 39.229 38.460 -0.108 0.000 1.254 467 Y HN 0.742 nan 8.280 nan 0.000 0.405 468 E N 3.169 122.761 120.200 -1.013 0.000 2.204 468 E HA -0.072 4.278 4.350 0.001 0.000 0.194 468 E C 1.526 177.560 176.600 -0.944 0.000 0.989 468 E CA 1.391 57.332 56.400 -0.765 0.000 0.824 468 E CB 0.070 29.497 29.700 -0.456 0.000 0.756 468 E HN 1.004 nan 8.360 nan 0.000 0.477 469 G N 0.648 108.421 108.800 -1.712 0.000 2.598 469 G HA2 -0.204 3.756 3.960 0.001 0.000 0.215 469 G HA3 -0.204 3.756 3.960 0.001 0.000 0.215 469 G C 0.723 175.006 174.900 -1.027 0.000 1.131 469 G CA 0.278 44.544 45.100 -1.390 0.000 0.785 469 G HN 0.160 nan 8.290 nan 0.000 0.539 470 D N -0.173 119.770 120.400 -0.763 0.000 2.671 470 D HA 0.106 4.746 4.640 0.001 0.000 0.228 470 D C 1.028 177.164 176.300 -0.273 0.000 1.102 470 D CA -0.594 53.133 54.000 -0.456 0.000 1.044 470 D CB -0.552 39.859 40.800 -0.649 0.000 1.113 470 D HN 0.465 nan 8.370 nan 0.000 0.480 471 Y N 0.078 120.298 120.300 -0.133 0.000 2.165 471 Y HA -0.234 4.317 4.550 0.001 0.000 0.286 471 Y C 2.656 178.514 175.900 -0.070 0.000 1.155 471 Y CA 1.223 59.300 58.100 -0.037 0.000 1.164 471 Y CB -0.031 38.420 38.460 -0.015 0.000 0.978 471 Y HN 0.332 nan 8.280 nan 0.000 0.513 472 T N -3.183 111.404 114.554 0.054 0.000 3.129 472 T HA 0.258 4.608 4.350 0.001 0.000 0.251 472 T C 1.475 176.117 174.700 -0.097 0.000 1.117 472 T CA 0.434 62.520 62.100 -0.023 0.000 1.034 472 T CB -0.117 68.751 68.868 -0.000 0.000 0.968 472 T HN 0.510 nan 8.240 nan 0.000 0.526 473 G N 0.865 109.575 108.800 -0.150 0.000 2.225 473 G HA2 -0.098 3.862 3.960 0.001 0.000 0.264 473 G HA3 -0.098 3.862 3.960 0.001 0.000 0.264 473 G C 0.838 175.646 174.900 -0.154 0.000 1.060 473 G CA -0.013 44.983 45.100 -0.172 0.000 0.833 473 G HN 1.040 nan 8.290 nan 0.000 0.498 474 A N -0.666 122.029 122.820 -0.208 0.000 2.119 474 A HA 0.443 4.764 4.320 0.001 0.000 0.216 474 A C 1.354 178.994 177.584 0.093 0.000 1.152 474 A CA 2.056 54.073 52.037 -0.033 0.000 0.708 474 A CB -0.220 18.840 19.000 0.100 0.000 0.805 474 A HN 1.890 nan 8.150 nan 0.000 0.460 475 Y N -2.816 117.520 120.300 0.060 0.000 3.024 475 Y HA 0.305 4.856 4.550 0.001 0.000 0.283 475 Y C 0.098 176.074 175.900 0.127 0.000 1.040 475 Y CA -0.439 57.715 58.100 0.090 0.000 1.283 475 Y CB -0.853 37.637 38.460 0.051 0.000 1.367 475 Y HN 0.076 nan 8.280 nan 0.000 0.589 476 T N -2.664 111.877 114.554 -0.021 0.000 2.932 476 T HA 0.379 4.729 4.350 0.001 0.000 0.289 476 T C -0.043 174.729 174.700 0.121 0.000 1.039 476 T CA -0.471 61.674 62.100 0.075 0.000 1.024 476 T CB 2.432 71.271 68.868 -0.048 0.000 1.090 476 T HN 0.105 nan 8.240 nan 0.000 0.496 477 D N 0.231 120.740 120.400 0.183 0.000 2.327 477 D HA 0.125 4.766 4.640 0.001 0.000 0.205 477 D C 1.050 177.442 176.300 0.154 0.000 0.989 477 D CA 0.603 54.705 54.000 0.171 0.000 0.873 477 D CB 0.581 41.511 40.800 0.216 0.000 0.955 477 D HN 0.575 nan 8.370 nan 0.000 0.515 478 V N -1.424 118.581 119.914 0.152 0.000 2.815 478 V HA 0.476 4.596 4.120 0.001 0.000 0.314 478 V C -0.903 175.282 176.094 0.152 0.000 1.064 478 V CA -1.105 61.283 62.300 0.147 0.000 0.952 478 V CB 2.073 33.965 31.823 0.115 0.000 1.020 478 V HN -0.091 nan 8.190 nan 0.000 0.439 479 Y N 2.587 122.907 120.300 0.033 0.000 2.341 479 Y HA 0.733 5.283 4.550 0.001 0.000 0.340 479 Y C 0.168 176.029 175.900 -0.065 0.000 0.997 479 Y CA -0.597 57.528 58.100 0.042 0.000 1.149 479 Y CB 1.156 39.727 38.460 0.185 0.000 1.171 479 Y HN 0.983 nan 8.280 nan 0.000 0.494 480 S N 7.317 122.846 115.700 -0.285 0.000 2.500 480 S HA 0.798 5.268 4.470 0.001 0.000 0.301 480 S C -1.001 173.304 174.600 -0.492 0.000 1.092 480 S CA -0.727 57.174 58.200 -0.500 0.000 1.030 480 S CB 0.672 63.642 63.200 -0.384 0.000 1.031 480 S HN 0.744 nan 8.310 nan 0.000 0.483 481 R N 2.239 122.450 120.500 -0.483 0.000 2.867 481 R HA 0.565 4.905 4.340 0.001 0.000 0.268 481 R C -0.876 175.326 176.300 -0.163 0.000 1.014 481 R CA -0.809 55.172 56.100 -0.197 0.000 0.946 481 R CB 1.753 32.054 30.300 0.002 0.000 1.208 481 R HN 0.877 nan 8.270 nan 0.000 0.477 482 M N -0.159 119.391 119.600 -0.084 0.000 2.326 482 M HA 0.423 4.903 4.480 0.001 0.000 0.306 482 M C -0.876 175.393 176.300 -0.051 0.000 1.054 482 M CA -0.497 54.654 55.300 -0.250 0.000 0.922 482 M CB 1.910 34.307 32.600 -0.338 0.000 1.632 482 M HN 0.607 nan 8.290 nan 0.000 0.436 483 Y N -0.420 119.995 120.300 0.191 0.000 4.079 483 Y HA -0.251 4.300 4.550 0.001 0.000 0.223 483 Y C 0.333 176.437 175.900 0.340 0.000 1.155 483 Y CA 0.610 58.845 58.100 0.225 0.000 1.805 483 Y CB -2.635 35.930 38.460 0.175 0.000 1.571 483 Y HN 0.921 nan 8.280 nan 0.000 0.654 484 S N 0.256 116.196 115.700 0.399 0.000 2.560 484 S HA 0.374 4.845 4.470 0.001 0.000 0.284 484 S C 0.719 175.586 174.600 0.445 0.000 1.327 484 S CA -0.443 57.996 58.200 0.399 0.000 1.055 484 S CB 1.533 64.903 63.200 0.283 0.000 0.868 484 S HN 0.643 nan 8.310 nan 0.000 0.506 485 S N 3.447 119.382 115.700 0.392 0.000 2.596 485 S HA 0.221 4.691 4.470 0.001 0.000 0.260 485 S C 1.391 175.997 174.600 0.010 0.000 1.336 485 S CA -0.904 57.461 58.200 0.274 0.000 0.993 485 S CB -0.005 63.422 63.200 0.377 0.000 0.923 485 S HN 0.597 nan 8.310 nan 0.000 0.567 486 I N 1.467 121.886 120.570 -0.252 0.000 2.163 486 I HA -0.051 4.120 4.170 0.001 0.000 0.243 486 I C -0.602 175.227 176.117 -0.479 0.000 1.085 486 I CA 0.907 61.898 61.300 -0.516 0.000 1.347 486 I CB -3.063 34.440 38.000 -0.829 0.000 1.044 486 I HN 0.516 nan 8.210 nan 0.000 0.408 487 P HA -0.190 nan 4.420 nan 0.000 0.215 487 P C 1.717 178.933 177.300 -0.138 0.000 1.153 487 P CA 1.535 64.237 63.100 -0.663 0.000 0.853 487 P CB 0.014 31.384 31.700 -0.551 0.000 0.788 488 E N -1.169 118.998 120.200 -0.055 0.000 2.107 488 E HA -0.117 4.234 4.350 0.001 0.000 0.191 488 E C 1.548 178.115 176.600 -0.055 0.000 0.982 488 E CA 1.419 57.822 56.400 0.005 0.000 0.809 488 E CB -0.364 29.375 29.700 0.065 0.000 0.756 488 E HN 0.110 nan 8.360 nan 0.000 0.459 489 T N 0.517 115.028 114.554 -0.072 0.000 2.777 489 T HA -0.182 4.168 4.350 0.001 0.000 0.266 489 T C 1.404 175.986 174.700 -0.196 0.000 1.040 489 T CA 1.489 63.488 62.100 -0.167 0.000 1.141 489 T CB -0.439 68.425 68.868 -0.006 0.000 0.868 489 T HN 0.342 nan 8.240 nan 0.000 0.444 490 D N 0.747 121.095 120.400 -0.087 0.000 2.116 490 D HA -0.132 4.508 4.640 0.001 0.000 0.193 490 D C 2.274 178.463 176.300 -0.185 0.000 0.998 490 D CA 1.471 55.453 54.000 -0.031 0.000 0.836 490 D CB -0.261 40.711 40.800 0.287 0.000 0.951 490 D HN 0.255 nan 8.370 nan 0.000 0.449 491 S N -1.158 114.500 115.700 -0.070 0.000 2.382 491 S HA -0.102 4.368 4.470 0.001 0.000 0.228 491 S C 2.017 176.514 174.600 -0.171 0.000 1.027 491 S CA 0.913 59.068 58.200 -0.074 0.000 0.991 491 S CB -0.403 62.801 63.200 0.007 0.000 0.823 491 S HN 0.357 nan 8.310 nan 0.000 0.469 492 I N 1.011 121.449 120.570 -0.220 0.000 2.252 492 I HA -0.053 4.118 4.170 0.001 0.000 0.245 492 I C 2.666 178.607 176.117 -0.294 0.000 1.102 492 I CA 1.191 62.347 61.300 -0.240 0.000 1.385 492 I CB -0.675 37.081 38.000 -0.406 0.000 1.064 492 I HN 0.429 nan 8.210 nan 0.000 0.414 493 G N 1.539 110.064 108.800 -0.458 0.000 2.421 493 G HA2 -0.129 3.832 3.960 0.001 0.000 0.217 493 G HA3 -0.129 3.832 3.960 0.001 0.000 0.217 493 G C 0.932 175.412 174.900 -0.701 0.000 1.143 493 G CA -0.155 44.618 45.100 -0.544 0.000 0.784 493 G HN 0.371 nan 8.290 nan 0.000 0.541 494 R N 0.266 120.279 120.500 -0.812 0.000 2.539 494 R HA 0.277 4.618 4.340 0.001 0.000 0.275 494 R C -0.151 176.050 176.300 -0.165 0.000 1.077 494 R CA -0.442 55.392 56.100 -0.443 0.000 1.097 494 R CB 0.523 30.649 30.300 -0.289 0.000 1.018 494 R HN -0.124 nan 8.270 nan 0.000 0.483 495 N N 0.977 119.652 118.700 -0.042 0.000 2.270 495 N HA -0.045 4.695 4.740 0.001 0.000 0.198 495 N C -0.637 174.852 175.510 -0.036 0.000 1.117 495 N CA 0.379 53.409 53.050 -0.034 0.000 0.845 495 N CB 0.342 38.839 38.487 0.018 0.000 0.980 495 N HN 0.676 nan 8.380 nan 0.000 0.486 496 D N -1.407 118.979 120.400 -0.024 0.000 2.623 496 D HA 0.090 4.731 4.640 0.001 0.000 0.252 496 D C -0.370 175.937 176.300 0.012 0.000 1.294 496 D CA -0.276 53.730 54.000 0.011 0.000 0.824 496 D CB -0.083 40.740 40.800 0.039 0.000 1.070 496 D HN -0.223 nan 8.370 nan 0.000 0.487 497 S N -0.525 115.138 115.700 -0.062 0.000 2.532 497 S HA 0.383 4.853 4.470 0.001 0.000 0.299 497 S C -0.684 173.833 174.600 -0.137 0.000 1.105 497 S CA -0.512 57.668 58.200 -0.033 0.000 1.018 497 S CB 0.965 64.145 63.200 -0.034 0.000 1.021 497 S HN 0.177 nan 8.310 nan 0.000 0.483 498 H N 2.184 121.254 119.070 0.001 0.000 2.528 498 H HA 0.498 5.054 4.556 0.000 0.000 0.282 498 H C 0.889 176.217 175.328 0.001 0.000 1.097 498 H CA 0.320 56.367 56.048 -0.002 0.000 1.121 498 H CB 0.546 30.308 29.762 -0.001 0.000 1.590 498 H HN 0.705 nan 8.280 nan 0.000 0.553 499 A N 1.096 123.961 122.820 0.076 0.000 2.520 499 A HA 0.121 4.442 4.320 0.001 0.000 0.235 499 A C 0.238 177.844 177.584 0.036 0.000 1.065 499 A CA -0.195 51.877 52.037 0.058 0.000 0.764 499 A CB 0.049 19.083 19.000 0.056 0.000 1.002 499 A HN 0.404 nan 8.150 nan 0.000 0.502 500 L N 2.014 123.257 121.223 0.033 0.000 2.426 500 L HA 0.240 4.581 4.340 0.001 0.000 0.271 500 L C 0.075 176.952 176.870 0.011 0.000 1.169 500 L CA -0.029 54.821 54.840 0.017 0.000 0.836 500 L CB 0.320 42.388 42.059 0.014 0.000 1.112 500 L HN 0.589 nan 8.230 nan 0.000 0.465 501 L N 2.618 123.843 121.223 0.003 0.000 2.358 501 L HA 0.347 4.687 4.340 0.001 0.000 0.268 501 L C -0.038 176.825 176.870 -0.011 0.000 1.032 501 L CA -1.183 53.671 54.840 0.023 0.000 0.805 501 L CB 1.427 43.521 42.059 0.058 0.000 1.253 501 L HN 0.350 nan 8.230 nan 0.000 0.452 502 L N 2.324 123.526 121.223 -0.034 0.000 2.706 502 L HA 0.086 4.427 4.340 0.001 0.000 0.282 502 L C 1.077 177.805 176.870 -0.237 0.000 1.219 502 L CA 1.635 56.371 54.840 -0.174 0.000 0.935 502 L CB -0.159 41.725 42.059 -0.291 0.000 1.204 502 L HN 0.822 nan 8.230 nan 0.000 0.491 503 G N 2.508 111.197 108.800 -0.186 0.000 2.155 503 G HA2 -0.274 3.686 3.960 0.001 0.000 0.257 503 G HA3 -0.274 3.686 3.960 0.001 0.000 0.257 503 G C 0.279 175.189 174.900 0.016 0.000 0.983 503 G CA 0.131 45.185 45.100 -0.077 0.000 0.676 503 G HN 0.848 nan 8.290 nan 0.000 0.528 504 C N 1.118 120.414 119.300 -0.007 0.000 2.507 504 C HA 0.705 5.165 4.460 0.001 0.000 0.319 504 C C 0.562 175.553 174.990 0.000 0.000 1.208 504 C CA -0.465 58.553 59.018 0.000 0.000 1.619 504 C CB 1.613 29.338 27.740 -0.025 0.000 2.230 504 C HN 0.667 nan 8.230 nan 0.000 0.492 505 D N 0.929 121.333 120.400 0.005 0.000 2.398 505 D HA 0.092 4.733 4.640 0.001 0.000 0.264 505 D C 1.187 177.491 176.300 0.007 0.000 1.263 505 D CA 0.119 54.123 54.000 0.008 0.000 1.037 505 D CB 0.253 41.060 40.800 0.012 0.000 1.101 505 D HN 0.522 nan 8.370 nan 0.000 0.551 506 S N -0.917 114.793 115.700 0.017 0.000 2.402 506 S HA -0.047 4.424 4.470 0.001 0.000 0.229 506 S C 2.063 176.681 174.600 0.031 0.000 1.021 506 S CA 0.918 59.138 58.200 0.032 0.000 0.974 506 S CB -0.861 62.365 63.200 0.043 0.000 0.800 506 S HN 0.667 nan 8.310 nan 0.000 0.484 507 A N 2.028 124.859 122.820 0.019 0.000 1.898 507 A HA -0.025 4.296 4.320 0.001 0.000 0.216 507 A C 2.126 179.705 177.584 -0.009 0.000 1.181 507 A CA 1.363 53.408 52.037 0.013 0.000 0.620 507 A CB -0.626 18.380 19.000 0.010 0.000 0.819 507 A HN 0.639 nan 8.150 nan 0.000 0.442 508 E N -0.076 120.113 120.200 -0.019 0.000 2.106 508 E HA -0.090 4.260 4.350 0.001 0.000 0.192 508 E C 2.249 178.793 176.600 -0.092 0.000 0.984 508 E CA 1.173 57.545 56.400 -0.048 0.000 0.806 508 E CB -0.130 29.550 29.700 -0.033 0.000 0.750 508 E HN 0.548 nan 8.360 nan 0.000 0.458 509 S N 0.847 116.504 115.700 -0.071 0.000 2.368 509 S HA -0.186 4.284 4.470 0.001 0.000 0.225 509 S C 2.147 176.680 174.600 -0.112 0.000 1.030 509 S CA 1.032 59.173 58.200 -0.099 0.000 0.999 509 S CB -0.233 62.941 63.200 -0.043 0.000 0.844 509 S HN 0.400 nan 8.310 nan 0.000 0.459 510 A N 1.724 124.508 122.820 -0.061 0.000 1.902 510 A HA -0.133 4.188 4.320 0.001 0.000 0.217 510 A C 2.068 179.609 177.584 -0.071 0.000 1.181 510 A CA 1.776 53.779 52.037 -0.057 0.000 0.623 510 A CB -0.593 18.415 19.000 0.013 0.000 0.818 510 A HN 0.431 nan 8.150 nan 0.000 0.443 511 R N -0.824 119.634 120.500 -0.070 0.000 2.083 511 R HA -0.181 4.159 4.340 0.001 0.000 0.237 511 R C 2.345 178.575 176.300 -0.117 0.000 1.137 511 R CA 1.850 57.907 56.100 -0.072 0.000 0.951 511 R CB -0.244 30.013 30.300 -0.071 0.000 0.851 511 R HN 0.510 nan 8.270 nan 0.000 0.434 512 Q N 0.073 119.737 119.800 -0.226 0.000 2.170 512 Q HA -0.134 4.206 4.340 0.001 0.000 0.203 512 Q C 1.888 177.765 176.000 -0.206 0.000 0.976 512 Q CA 1.285 56.845 55.803 -0.405 0.000 0.858 512 Q CB -0.077 28.064 28.738 -0.995 0.000 0.907 512 Q HN 0.394 nan 8.270 nan 0.000 0.433 513 R N 0.453 120.875 120.500 -0.130 0.000 2.323 513 R HA -0.029 4.312 4.340 0.001 0.000 0.198 513 R C 1.856 178.162 176.300 0.010 0.000 0.988 513 R CA 1.158 57.237 56.100 -0.035 0.000 1.041 513 R CB -0.014 30.237 30.300 -0.082 0.000 0.926 513 R HN 0.301 nan 8.270 nan 0.000 0.476 514 T N -2.573 111.984 114.554 0.006 0.000 3.100 514 T HA 0.128 4.478 4.350 0.001 0.000 0.253 514 T C 0.602 175.348 174.700 0.076 0.000 1.118 514 T CA 0.092 62.213 62.100 0.035 0.000 1.058 514 T CB 0.265 69.144 68.868 0.018 0.000 0.953 514 T HN -0.029 nan 8.240 nan 0.000 0.515 515 K N 1.707 122.172 120.400 0.108 0.000 2.166 515 K HA 0.541 4.862 4.320 0.001 0.000 0.245 515 K C -3.024 173.710 176.600 0.223 0.000 0.967 515 K CA -2.744 53.633 56.287 0.151 0.000 0.863 515 K CB 1.212 33.805 32.500 0.155 0.000 1.107 515 K HN -0.041 nan 8.250 nan 0.000 0.436 516 P HA -0.005 nan 4.420 nan 0.000 0.268 516 P C -1.191 176.260 177.300 0.252 0.000 1.205 516 P CA -0.002 63.210 63.100 0.187 0.000 0.771 516 P CB 0.306 31.965 31.700 -0.068 0.000 0.858 517 F N 4.791 124.857 119.950 0.193 0.000 2.469 517 F HA 0.667 5.194 4.527 0.000 0.000 0.332 517 F C -0.462 175.381 175.800 0.073 0.000 1.103 517 F CA -0.944 57.129 58.000 0.122 0.000 0.979 517 F CB 0.745 39.823 39.000 0.130 0.000 1.137 517 F HN 0.205 nan 8.300 nan 0.000 0.463 518 I N 3.727 123.705 120.570 -0.988 0.000 2.865 518 I HA 0.499 4.670 4.170 0.001 0.000 0.302 518 I C -1.856 173.576 176.117 -1.141 0.000 1.140 518 I CA -1.104 59.721 61.300 -0.791 0.000 1.021 518 I CB 2.293 40.037 38.000 -0.426 0.000 1.233 518 I HN 0.496 nan 8.210 nan 0.000 0.427 519 L N 4.544 125.375 121.223 -0.652 0.000 2.268 519 L HA 0.250 4.591 4.340 0.001 0.000 0.289 519 L C 1.230 178.003 176.870 -0.162 0.000 1.064 519 L CA -0.630 53.954 54.840 -0.427 0.000 0.824 519 L CB 1.153 42.976 42.059 -0.393 0.000 1.202 519 L HN 1.034 nan 8.230 nan 0.000 0.433 520 C N 0.365 119.571 119.300 -0.156 0.000 2.448 520 C HA 0.112 4.572 4.460 0.001 0.000 0.280 520 C C 0.677 175.693 174.990 0.043 0.000 1.398 520 C CA -0.238 58.734 59.018 -0.076 0.000 1.774 520 C CB -1.022 26.690 27.740 -0.046 0.000 1.888 520 C HN 0.758 nan 8.230 nan 0.000 0.519 521 E N -0.598 119.571 120.200 -0.052 0.000 2.304 521 E HA 0.625 4.976 4.350 0.001 0.000 0.277 521 E C -1.228 175.208 176.600 -0.274 0.000 0.898 521 E CA -0.423 55.941 56.400 -0.060 0.000 0.764 521 E CB 1.876 31.427 29.700 -0.249 0.000 1.216 521 E HN 0.701 nan 8.360 nan 0.000 0.419 522 Y N -1.625 118.540 120.300 -0.225 0.000 2.764 522 Y HA 0.453 5.004 4.550 0.001 0.000 0.331 522 Y C 0.046 176.007 175.900 0.102 0.000 1.280 522 Y CA -1.429 56.558 58.100 -0.190 0.000 1.065 522 Y CB 0.613 38.822 38.460 -0.420 0.000 1.319 522 Y HN 0.270 nan 8.280 nan 0.000 0.453 523 V N -0.021 119.745 119.914 -0.246 0.000 5.678 523 V HA -0.301 3.819 4.120 0.001 0.000 0.205 523 V C 0.066 176.161 176.094 0.003 0.000 0.703 523 V CA 1.425 63.607 62.300 -0.196 0.000 0.545 523 V CB -2.418 29.123 31.823 -0.471 0.000 0.202 523 V HN 1.203 nan 8.190 nan 0.000 0.481 524 H N 2.884 122.034 119.070 0.133 0.000 3.192 524 H HA 0.275 4.832 4.556 0.001 0.000 0.295 524 H C 1.139 176.478 175.328 0.018 0.000 0.943 524 H CA 0.864 57.014 56.048 0.170 0.000 1.416 524 H CB 1.404 31.186 29.762 0.033 0.000 1.434 524 H HN 0.967 nan 8.280 nan 0.000 0.565 525 A N 6.315 128.998 122.820 -0.227 0.000 2.307 525 A HA 0.036 4.357 4.320 0.001 0.000 0.218 525 A C 1.260 178.701 177.584 -0.238 0.000 1.228 525 A CA -0.389 51.518 52.037 -0.216 0.000 0.857 525 A CB -0.239 18.607 19.000 -0.257 0.000 0.897 525 A HN 0.821 nan 8.150 nan 0.000 0.495 526 M N 0.837 120.287 119.600 -0.250 0.000 2.260 526 M HA 0.348 4.828 4.480 0.001 0.000 0.348 526 M C 1.063 177.192 176.300 -0.285 0.000 1.342 526 M CA 1.551 56.713 55.300 -0.231 0.000 1.040 526 M CB -0.160 32.371 32.600 -0.115 0.000 1.810 526 M HN 0.788 nan 8.290 nan 0.000 0.453 527 G N 3.948 112.530 108.800 -0.364 0.000 2.552 527 G HA2 -0.330 3.631 3.960 0.001 0.000 0.265 527 G HA3 -0.330 3.631 3.960 0.001 0.000 0.265 527 G C -0.401 173.934 174.900 -0.940 0.000 1.234 527 G CA 0.101 44.816 45.100 -0.642 0.000 0.944 527 G HN 0.942 nan 8.290 nan 0.000 0.568 528 N N 2.326 120.391 118.700 -1.059 0.000 2.401 528 N HA 0.570 5.311 4.740 0.001 0.000 0.255 528 N C 0.519 175.771 175.510 -0.430 0.000 1.110 528 N CA 1.729 54.305 53.050 -0.791 0.000 0.949 528 N CB 0.213 38.295 38.487 -0.675 0.000 1.110 528 N HN 2.030 nan 8.380 nan 0.000 0.490 529 G N 3.261 111.902 108.800 -0.265 0.000 2.369 529 G HA2 0.069 4.029 3.960 0.001 0.000 0.293 529 G HA3 0.069 4.029 3.960 0.001 0.000 0.293 529 G C -3.352 171.482 174.900 -0.110 0.000 1.301 529 G CA -0.829 44.167 45.100 -0.173 0.000 0.913 529 G HN 0.456 nan 8.290 nan 0.000 0.540 530 P HA 0.568 nan 4.420 nan 0.000 0.285 530 P C 0.451 177.740 177.300 -0.018 0.000 1.280 530 P CA 0.064 63.134 63.100 -0.050 0.000 0.862 530 P CB 1.753 33.434 31.700 -0.032 0.000 1.153 531 G N -0.613 108.182 108.800 -0.008 0.000 2.547 531 G HA2 0.422 4.383 3.960 0.001 0.000 0.291 531 G HA3 0.422 4.383 3.960 0.001 0.000 0.291 531 G C 0.393 175.339 174.900 0.077 0.000 1.211 531 G CA -0.099 45.007 45.100 0.010 0.000 0.950 531 G HN 0.711 nan 8.290 nan 0.000 0.504 532 A N -1.101 121.760 122.820 0.069 0.000 3.384 532 A HA -0.220 4.101 4.320 0.001 0.000 0.260 532 A C 1.839 179.562 177.584 0.232 0.000 1.168 532 A CA 1.821 53.923 52.037 0.108 0.000 1.253 532 A CB -2.100 16.976 19.000 0.126 0.000 1.122 532 A HN 0.617 nan 8.150 nan 0.000 0.934 533 M N 0.055 119.781 119.600 0.210 0.000 2.149 533 M HA -0.201 4.279 4.480 0.001 0.000 0.261 533 M C 1.953 178.369 176.300 0.193 0.000 1.064 533 M CA 2.280 57.739 55.300 0.263 0.000 1.102 533 M CB -0.590 32.109 32.600 0.166 0.000 1.369 533 M HN 0.774 nan 8.290 nan 0.000 0.408 534 D N -0.206 120.222 120.400 0.047 0.000 2.178 534 D HA -0.189 4.452 4.640 0.001 0.000 0.202 534 D C 1.688 177.994 176.300 0.009 0.000 0.974 534 D CA 1.287 55.251 54.000 -0.060 0.000 0.841 534 D CB -0.701 39.987 40.800 -0.188 0.000 0.953 534 D HN 0.460 nan 8.370 nan 0.000 0.478 535 Q N -0.685 119.115 119.800 -0.001 0.000 2.084 535 Q HA -0.142 4.199 4.340 0.001 0.000 0.202 535 Q C 2.132 178.084 176.000 -0.081 0.000 0.978 535 Q CA 1.190 56.924 55.803 -0.114 0.000 0.844 535 Q CB -0.321 28.220 28.738 -0.328 0.000 0.898 535 Q HN 0.425 nan 8.270 nan 0.000 0.426 536 Y N 0.580 120.920 120.300 0.066 0.000 2.200 536 Y HA -0.216 4.334 4.550 0.001 0.000 0.290 536 Y C 2.405 178.362 175.900 0.094 0.000 1.137 536 Y CA 1.225 59.395 58.100 0.117 0.000 1.163 536 Y CB 0.077 38.700 38.460 0.271 0.000 0.988 536 Y HN 0.107 nan 8.280 nan 0.000 0.518 537 E N 0.286 120.631 120.200 0.241 0.000 2.106 537 E HA -0.161 4.189 4.350 0.001 0.000 0.192 537 E C 2.231 178.877 176.600 0.076 0.000 0.984 537 E CA 1.120 57.603 56.400 0.139 0.000 0.806 537 E CB -0.334 29.404 29.700 0.063 0.000 0.750 537 E HN 0.356 nan 8.360 nan 0.000 0.458 538 A N 0.279 123.126 122.820 0.045 0.000 1.972 538 A HA -0.146 4.175 4.320 0.001 0.000 0.219 538 A C 2.204 179.797 177.584 0.014 0.000 1.169 538 A CA 1.255 53.301 52.037 0.015 0.000 0.635 538 A CB -0.632 18.371 19.000 0.005 0.000 0.810 538 A HN 0.323 nan 8.150 nan 0.000 0.446 539 L N -0.602 120.660 121.223 0.066 0.000 2.056 539 L HA -0.151 4.189 4.340 0.001 0.000 0.207 539 L C 2.510 179.465 176.870 0.141 0.000 1.078 539 L CA 1.078 56.002 54.840 0.139 0.000 0.749 539 L CB -0.638 41.539 42.059 0.196 0.000 0.901 539 L HN 0.249 nan 8.230 nan 0.000 0.433 540 V N -0.196 119.793 119.914 0.125 0.000 2.343 540 V HA -0.293 3.827 4.120 0.001 0.000 0.247 540 V C 2.077 178.188 176.094 0.027 0.000 1.051 540 V CA 1.879 64.234 62.300 0.092 0.000 1.036 540 V CB -0.606 31.272 31.823 0.091 0.000 0.654 540 V HN 0.435 nan 8.190 nan 0.000 0.451 541 D N -0.197 120.207 120.400 0.006 0.000 2.182 541 D HA -0.174 4.466 4.640 0.001 0.000 0.201 541 D C 2.157 178.402 176.300 -0.090 0.000 0.986 541 D CA 1.392 55.373 54.000 -0.032 0.000 0.847 541 D CB -0.100 40.683 40.800 -0.029 0.000 0.942 541 D HN 0.450 nan 8.370 nan 0.000 0.467 542 K N -0.983 119.314 120.400 -0.172 0.000 2.166 542 K HA -0.016 4.305 4.320 0.001 0.000 0.201 542 K C -0.156 176.170 176.600 -0.456 0.000 1.052 542 K CA 0.346 56.395 56.287 -0.397 0.000 0.969 542 K CB 0.376 32.494 32.500 -0.637 0.000 0.761 542 K HN 0.090 nan 8.250 nan 0.000 0.459 543 Y N 0.355 120.661 120.300 0.009 0.000 2.338 543 Y HA 0.251 4.802 4.550 0.001 0.000 0.328 543 Y C -2.020 173.877 175.900 -0.006 0.000 0.965 543 Y CA -2.476 55.630 58.100 0.009 0.000 1.208 543 Y CB 1.903 40.372 38.460 0.015 0.000 1.132 543 Y HN 0.062 nan 8.280 nan 0.000 0.469 544 P HA -0.185 nan 4.420 nan 0.000 0.219 544 P C 1.537 178.841 177.300 0.007 0.000 1.146 544 P CA 1.252 64.365 63.100 0.023 0.000 0.808 544 P CB 0.251 31.979 31.700 0.046 0.000 0.779 545 R N -0.224 120.363 120.500 0.145 0.000 2.193 545 R HA -0.030 4.310 4.340 0.001 0.000 0.229 545 R C 0.408 176.930 176.300 0.371 0.000 1.110 545 R CA 0.629 56.884 56.100 0.258 0.000 0.988 545 R CB -0.633 29.788 30.300 0.203 0.000 0.871 545 R HN 0.160 nan 8.270 nan 0.000 0.458 546 L N 1.453 122.818 121.223 0.236 0.000 2.265 546 L HA 0.190 4.531 4.340 0.001 0.000 0.288 546 L C 0.336 177.307 176.870 0.169 0.000 1.058 546 L CA -0.366 54.681 54.840 0.344 0.000 0.809 546 L CB 1.408 43.632 42.059 0.276 0.000 1.179 546 L HN 0.292 nan 8.230 nan 0.000 0.429 547 H N 2.813 122.013 119.070 0.216 0.000 2.528 547 H HA 0.259 4.815 4.556 0.001 0.000 0.282 547 H C 0.985 176.365 175.328 0.086 0.000 1.097 547 H CA 0.416 56.545 56.048 0.134 0.000 1.121 547 H CB 1.110 30.984 29.762 0.186 0.000 1.590 547 H HN 0.969 nan 8.280 nan 0.000 0.553 548 G N 0.359 109.229 108.800 0.117 0.000 2.466 548 G HA2 0.023 3.983 3.960 0.001 0.000 0.218 548 G HA3 0.023 3.983 3.960 0.001 0.000 0.218 548 G C -0.139 174.653 174.900 -0.180 0.000 1.237 548 G CA -0.444 44.639 45.100 -0.028 0.000 0.954 548 G HN 0.729 nan 8.290 nan 0.000 0.580 549 G N -2.205 106.431 108.800 -0.274 0.000 2.368 549 G HA2 0.642 4.603 3.960 0.001 0.000 0.293 549 G HA3 0.642 4.603 3.960 0.001 0.000 0.293 549 G C -1.770 173.027 174.900 -0.171 0.000 1.467 549 G CA -0.281 44.602 45.100 -0.362 0.000 0.804 549 G HN 1.127 nan 8.290 nan 0.000 0.535 550 F N 0.709 120.731 119.950 0.119 0.000 2.427 550 F HA 0.497 5.025 4.527 0.001 0.000 0.348 550 F C 0.721 176.695 175.800 0.290 0.000 1.125 550 F CA -0.774 57.338 58.000 0.185 0.000 0.989 550 F CB 2.152 41.166 39.000 0.023 0.000 1.165 550 F HN 0.261 nan 8.300 nan 0.000 0.442 551 V N 3.734 123.809 119.914 0.269 0.000 2.673 551 V HA -0.148 3.972 4.120 0.001 0.000 0.303 551 V C -0.135 176.002 176.094 0.072 0.000 1.046 551 V CA -0.302 61.990 62.300 -0.014 0.000 1.126 551 V CB 0.529 32.175 31.823 -0.294 0.000 0.934 551 V HN 0.733 nan 8.190 nan 0.000 0.487 552 W N 6.783 128.077 121.300 -0.009 0.000 2.308 552 W HA 0.458 5.119 4.660 0.001 0.000 0.311 552 W C 0.071 176.499 176.519 -0.151 0.000 1.088 552 W CA -0.543 56.817 57.345 0.026 0.000 1.309 552 W CB 1.097 30.711 29.460 0.258 0.000 1.229 552 W HN 0.908 nan 8.180 nan 0.000 0.427 553 E N 3.870 123.686 120.200 -0.639 0.000 2.442 553 E HA 0.175 4.526 4.350 0.001 0.000 0.261 553 E C 0.539 176.864 176.600 -0.457 0.000 0.935 553 E CA -0.781 55.134 56.400 -0.809 0.000 0.856 553 E CB 0.725 29.443 29.700 -1.638 0.000 1.571 553 E HN 0.465 nan 8.360 nan 0.000 0.431 554 W N 0.968 121.922 121.300 -0.576 0.000 2.408 554 W HA 0.091 4.751 4.660 0.001 0.000 0.311 554 W C 0.275 176.514 176.519 -0.467 0.000 1.190 554 W CA 0.818 57.886 57.345 -0.462 0.000 1.321 554 W CB 0.415 29.646 29.460 -0.382 0.000 1.143 554 W HN 0.355 nan 8.180 nan 0.000 0.501 555 R N 1.328 121.453 120.500 -0.625 0.000 2.686 555 R HA 0.134 4.474 4.340 0.001 0.000 0.286 555 R C -1.097 174.685 176.300 -0.864 0.000 0.969 555 R CA -0.888 54.742 56.100 -0.784 0.000 0.898 555 R CB 1.642 31.548 30.300 -0.657 0.000 1.183 555 R HN -0.218 nan 8.270 nan 0.000 0.456 556 D N 1.196 121.186 120.400 -0.683 0.000 2.423 556 D HA 0.023 4.663 4.640 0.001 0.000 0.238 556 D C -0.163 175.749 176.300 -0.647 0.000 1.142 556 D CA 0.652 54.317 54.000 -0.558 0.000 0.884 556 D CB 0.572 41.145 40.800 -0.379 0.000 1.199 556 D HN 0.454 nan 8.370 nan 0.000 0.438 557 H N -0.146 118.865 119.070 -0.098 0.000 2.421 557 H HA 0.408 4.965 4.556 0.001 0.000 0.241 557 H C 0.829 176.301 175.328 0.239 0.000 1.428 557 H CA -0.559 55.524 56.048 0.059 0.000 1.136 557 H CB 0.416 30.285 29.762 0.177 0.000 1.612 557 H HN 0.313 nan 8.280 nan 0.000 0.537 558 G N 0.827 109.677 108.800 0.084 0.000 2.441 558 G HA2 0.295 4.256 3.960 0.001 0.000 0.243 558 G HA3 0.295 4.256 3.960 0.001 0.000 0.243 558 G C -0.148 174.873 174.900 0.202 0.000 1.281 558 G CA -0.423 44.782 45.100 0.175 0.000 0.854 558 G HN 0.448 nan 8.290 nan 0.000 0.560 559 I N 1.869 122.594 120.570 0.259 0.000 2.355 559 I HA 0.258 4.428 4.170 0.001 0.000 0.288 559 I C 0.705 176.894 176.117 0.119 0.000 0.999 559 I CA -0.712 60.645 61.300 0.095 0.000 1.163 559 I CB 1.537 39.458 38.000 -0.131 0.000 1.316 559 I HN 0.434 nan 8.210 nan 0.000 0.454 560 R N 4.478 125.049 120.500 0.119 0.000 2.449 560 R HA 0.299 4.640 4.340 0.001 0.000 0.296 560 R C -0.294 175.887 176.300 -0.197 0.000 1.047 560 R CA 0.642 56.684 56.100 -0.098 0.000 1.018 560 R CB 0.793 31.051 30.300 -0.071 0.000 0.962 560 R HN 0.743 nan 8.270 nan 0.000 0.428 561 T N 2.767 117.068 114.554 -0.421 0.000 2.671 561 T HA 0.509 4.859 4.350 0.001 0.000 0.300 561 T C -1.424 173.008 174.700 -0.446 0.000 1.238 561 T CA -0.750 61.128 62.100 -0.371 0.000 1.020 561 T CB 1.099 69.779 68.868 -0.312 0.000 1.503 561 T HN 0.654 nan 8.240 nan 0.000 0.497 562 R N 0.868 121.232 120.500 -0.228 0.000 2.795 562 R HA 0.589 4.929 4.340 0.001 0.000 0.275 562 R C -0.329 176.016 176.300 0.074 0.000 0.981 562 R CA -0.854 55.202 56.100 -0.072 0.000 0.917 562 R CB 1.889 32.155 30.300 -0.057 0.000 1.202 562 R HN 0.873 nan 8.270 nan 0.000 0.469 563 T N -1.134 113.479 114.554 0.098 0.000 2.766 563 T HA 0.181 4.531 4.350 0.001 0.000 0.295 563 T C 1.550 176.258 174.700 0.012 0.000 1.024 563 T CA -0.069 62.052 62.100 0.035 0.000 1.018 563 T CB 1.125 69.933 68.868 -0.101 0.000 1.002 563 T HN 0.662 nan 8.240 nan 0.000 0.532 564 A N 0.914 123.740 122.820 0.011 0.000 1.915 564 A HA -0.186 4.135 4.320 0.001 0.000 0.220 564 A C 2.014 179.598 177.584 -0.001 0.000 1.198 564 A CA 2.131 54.173 52.037 0.008 0.000 0.647 564 A CB -1.177 17.829 19.000 0.009 0.000 0.825 564 A HN 0.920 nan 8.150 nan 0.000 0.456 565 E N -1.293 118.903 120.200 -0.008 0.000 2.511 565 E HA 0.321 4.672 4.350 0.001 0.000 0.196 565 E C 1.175 177.767 176.600 -0.014 0.000 1.066 565 E CA 0.724 57.119 56.400 -0.008 0.000 0.871 565 E CB -0.384 29.312 29.700 -0.007 0.000 0.863 565 E HN 0.878 nan 8.360 nan 0.000 0.520 566 G N 0.942 109.731 108.800 -0.017 0.000 2.136 566 G HA2 -0.348 3.612 3.960 0.001 0.000 0.242 566 G HA3 -0.348 3.612 3.960 0.001 0.000 0.242 566 G C 0.136 175.016 174.900 -0.034 0.000 0.989 566 G CA 0.319 45.406 45.100 -0.023 0.000 0.682 566 G HN 0.241 nan 8.290 nan 0.000 0.522 567 M N 1.677 121.249 119.600 -0.047 0.000 2.184 567 M HA 0.536 5.016 4.480 0.001 0.000 0.351 567 M C 0.456 176.722 176.300 -0.056 0.000 1.395 567 M CA -0.624 54.637 55.300 -0.065 0.000 1.117 567 M CB 0.568 33.107 32.600 -0.103 0.000 1.708 567 M HN 0.297 nan 8.290 nan 0.000 0.468 568 E N 5.118 125.279 120.200 -0.064 0.000 2.354 568 E HA 0.498 4.849 4.350 0.001 0.000 0.269 568 E C -1.417 175.140 176.600 -0.071 0.000 1.036 568 E CA -0.272 56.060 56.400 -0.113 0.000 0.876 568 E CB 0.553 30.158 29.700 -0.160 0.000 1.009 568 E HN 0.625 nan 8.360 nan 0.000 0.416 569 F N 1.186 120.918 119.950 -0.363 0.000 2.741 569 F HA 0.487 5.014 4.527 0.001 0.000 0.313 569 F C -1.832 173.767 175.800 -0.336 0.000 1.153 569 F CA -1.336 56.462 58.000 -0.336 0.000 0.931 569 F CB 0.861 39.719 39.000 -0.237 0.000 1.335 569 F HN 0.211 nan 8.300 nan 0.000 0.460 570 F N 2.243 122.259 119.950 0.110 0.000 2.371 570 F HA 0.668 5.195 4.527 0.001 0.000 0.363 570 F C 0.715 176.605 175.800 0.150 0.000 1.122 570 F CA -0.684 57.333 58.000 0.028 0.000 1.129 570 F CB 1.179 40.248 39.000 0.114 0.000 1.173 570 F HN 0.816 nan 8.300 nan 0.000 0.489 571 A N 4.432 127.267 122.820 0.026 0.000 2.371 571 A HA 0.532 4.853 4.320 0.001 0.000 0.257 571 A C -0.901 176.911 177.584 0.380 0.000 1.089 571 A CA -0.252 51.815 52.037 0.050 0.000 0.794 571 A CB 0.172 18.890 19.000 -0.470 0.000 1.029 571 A HN 0.765 nan 8.150 nan 0.000 0.488 572 Y N -0.403 120.156 120.300 0.431 0.000 2.833 572 Y HA 0.742 5.293 4.550 0.001 0.000 0.319 572 Y C 0.715 176.834 175.900 0.365 0.000 1.254 572 Y CA -1.522 56.819 58.100 0.402 0.000 1.138 572 Y CB -0.129 38.439 38.460 0.180 0.000 1.352 572 Y HN 0.855 nan 8.280 nan 0.000 0.546 573 G N -0.131 108.947 108.800 0.464 0.000 2.224 573 G HA2 0.355 4.316 3.960 0.001 0.000 0.239 573 G HA3 0.355 4.316 3.960 0.001 0.000 0.239 573 G C 0.957 175.911 174.900 0.090 0.000 1.240 573 G CA 0.427 45.769 45.100 0.403 0.000 0.896 573 G HN 1.969 nan 8.290 nan 0.000 0.496 574 G N 2.205 110.831 108.800 -0.290 0.000 2.241 574 G HA2 -0.277 3.684 3.960 0.001 0.000 0.244 574 G HA3 -0.277 3.684 3.960 0.001 0.000 0.244 574 G C 0.906 175.693 174.900 -0.187 0.000 0.998 574 G CA 0.693 45.337 45.100 -0.760 0.000 0.621 574 G HN 0.640 nan 8.290 nan 0.000 0.519 575 D N -0.207 120.115 120.400 -0.130 0.000 2.348 575 D HA 0.127 4.768 4.640 0.001 0.000 0.216 575 D C 1.327 177.425 176.300 -0.338 0.000 0.970 575 D CA 0.486 54.336 54.000 -0.250 0.000 0.889 575 D CB -0.193 40.385 40.800 -0.370 0.000 0.912 575 D HN 0.526 nan 8.370 nan 0.000 0.524 576 F N -0.541 119.502 119.950 0.155 0.000 2.772 576 F HA 0.297 4.825 4.527 0.001 0.000 0.302 576 F C 1.562 177.444 175.800 0.137 0.000 1.136 576 F CA -0.500 57.583 58.000 0.139 0.000 1.322 576 F CB 0.722 39.819 39.000 0.162 0.000 0.967 576 F HN -0.101 nan 8.300 nan 0.000 0.513 577 G N 0.602 109.533 108.800 0.218 0.000 2.179 577 G HA2 -0.323 3.637 3.960 0.001 0.000 0.257 577 G HA3 -0.323 3.637 3.960 0.001 0.000 0.257 577 G C -0.043 174.986 174.900 0.215 0.000 1.010 577 G CA -0.189 45.023 45.100 0.186 0.000 0.736 577 G HN 0.391 nan 8.290 nan 0.000 0.513 578 E N -0.673 119.678 120.200 0.252 0.000 2.413 578 E HA 0.363 4.714 4.350 0.001 0.000 0.263 578 E C 1.637 178.410 176.600 0.288 0.000 1.015 578 E CA 0.173 56.751 56.400 0.297 0.000 0.916 578 E CB 1.055 30.976 29.700 0.368 0.000 0.947 578 E HN 0.099 nan 8.360 nan 0.000 0.440 579 V N 2.292 122.333 119.914 0.211 0.000 2.323 579 V HA -0.095 4.025 4.120 0.001 0.000 0.244 579 V C 0.793 176.960 176.094 0.122 0.000 1.041 579 V CA 1.353 63.741 62.300 0.147 0.000 1.025 579 V CB -0.393 31.483 31.823 0.088 0.000 0.656 579 V HN 0.593 nan 8.190 nan 0.000 0.451 580 V N -0.038 119.934 119.914 0.097 0.000 2.680 580 V HA 0.766 4.887 4.120 0.001 0.000 0.309 580 V C -0.633 175.519 176.094 0.096 0.000 1.052 580 V CA -0.439 61.865 62.300 0.007 0.000 0.908 580 V CB 1.703 33.475 31.823 -0.085 0.000 1.001 580 V HN 0.696 nan 8.190 nan 0.000 0.431 581 H N 1.011 120.088 119.070 0.011 0.000 2.932 581 H HA 0.491 5.047 4.556 0.001 0.000 0.307 581 H C -1.680 173.634 175.328 -0.024 0.000 1.391 581 H CA -0.538 55.520 56.048 0.016 0.000 1.130 581 H CB 1.993 31.855 29.762 0.166 0.000 1.836 581 H HN 0.609 nan 8.280 nan 0.000 0.522 582 D N 0.797 121.255 120.400 0.097 0.000 2.696 582 D HA 0.150 4.791 4.640 0.001 0.000 0.269 582 D C 0.630 177.281 176.300 0.586 0.000 1.319 582 D CA 0.375 54.455 54.000 0.133 0.000 0.826 582 D CB 0.868 41.559 40.800 -0.182 0.000 1.086 582 D HN 0.634 nan 8.370 nan 0.000 0.481 583 S N 2.120 118.301 115.700 0.802 0.000 3.938 583 S HA -0.350 4.120 4.470 0.001 0.000 0.624 583 S C 0.850 175.649 174.600 0.332 0.000 2.186 583 S CA 2.049 60.621 58.200 0.620 0.000 4.144 583 S CB -1.245 62.216 63.200 0.435 0.000 0.230 583 S HN 0.650 nan 8.310 nan 0.000 0.755 584 N N 0.527 119.115 118.700 -0.186 0.000 2.370 584 N HA 0.280 5.021 4.740 0.001 0.000 0.198 584 N C 1.095 176.396 175.510 -0.349 0.000 1.156 584 N CA 0.503 53.162 53.050 -0.651 0.000 0.839 584 N CB -0.350 37.330 38.487 -1.344 0.000 0.989 584 N HN 0.423 nan 8.380 nan 0.000 0.468 585 F N -0.113 119.828 119.950 -0.015 0.000 2.408 585 F HA -0.045 4.482 4.527 0.001 0.000 0.300 585 F C 2.019 177.826 175.800 0.012 0.000 1.090 585 F CA 0.415 58.474 58.000 0.098 0.000 1.427 585 F CB 0.094 39.233 39.000 0.233 0.000 1.070 585 F HN 0.116 nan 8.300 nan 0.000 0.549 586 V N 0.419 120.141 119.914 -0.320 0.000 3.217 586 V HA -0.067 4.054 4.120 0.001 0.000 0.264 586 V C 1.041 177.047 176.094 -0.147 0.000 1.135 586 V CA 0.772 62.757 62.300 -0.526 0.000 1.142 586 V CB -0.297 30.674 31.823 -1.420 0.000 0.754 586 V HN 0.033 nan 8.190 nan 0.000 0.484 587 M N 1.952 121.451 119.600 -0.169 0.000 3.266 587 M HA 0.342 4.823 4.480 0.001 0.000 0.260 587 M C -0.278 175.904 176.300 -0.198 0.000 1.319 587 M CA -0.164 55.033 55.300 -0.171 0.000 1.412 587 M CB -0.260 32.241 32.600 -0.164 0.000 1.113 587 M HN 0.391 nan 8.290 nan 0.000 0.588 588 D N -0.679 119.608 120.400 -0.189 0.000 2.720 588 D HA 0.332 4.972 4.640 0.001 0.000 0.285 588 D C 0.549 176.640 176.300 -0.348 0.000 1.359 588 D CA -0.250 53.614 54.000 -0.226 0.000 0.818 588 D CB 0.118 40.869 40.800 -0.081 0.000 1.108 588 D HN 0.375 nan 8.370 nan 0.000 0.474 589 G N -0.086 108.481 108.800 -0.387 0.000 2.437 589 G HA2 0.369 4.329 3.960 0.001 0.000 0.319 589 G HA3 0.369 4.329 3.960 0.001 0.000 0.319 589 G C 0.906 175.548 174.900 -0.430 0.000 1.158 589 G CA -0.665 44.150 45.100 -0.476 0.000 0.899 589 G HN -0.048 nan 8.290 nan 0.000 0.502 590 M N -0.005 119.300 119.600 -0.492 0.000 2.279 590 M HA 0.003 4.484 4.480 0.001 0.000 0.264 590 M C 0.580 176.505 176.300 -0.625 0.000 1.062 590 M CA 0.898 55.897 55.300 -0.501 0.000 1.099 590 M CB -0.478 31.810 32.600 -0.520 0.000 1.394 590 M HN 0.112 nan 8.290 nan 0.000 0.426 591 V N 1.283 120.715 119.914 -0.804 0.000 2.555 591 V HA 0.370 4.490 4.120 0.001 0.000 0.302 591 V C 0.393 176.143 176.094 -0.572 0.000 1.038 591 V CA -0.934 60.896 62.300 -0.783 0.000 0.887 591 V CB 2.235 33.350 31.823 -1.179 0.000 0.991 591 V HN 0.142 nan 8.190 nan 0.000 0.434 592 L N 2.438 123.406 121.223 -0.426 0.000 2.476 592 L HA 0.195 4.535 4.340 0.001 0.000 0.255 592 L C 1.761 178.364 176.870 -0.445 0.000 1.218 592 L CA -0.025 54.598 54.840 -0.362 0.000 0.819 592 L CB 0.397 42.306 42.059 -0.250 0.000 1.119 592 L HN 0.725 nan 8.230 nan 0.000 0.485 593 S N 0.150 115.514 115.700 -0.560 0.000 2.419 593 S HA -0.149 4.322 4.470 0.001 0.000 0.235 593 S C 1.000 175.201 174.600 -0.664 0.000 1.019 593 S CA 1.444 59.161 58.200 -0.806 0.000 0.982 593 S CB -0.373 61.925 63.200 -1.504 0.000 0.789 593 S HN 0.845 nan 8.310 nan 0.000 0.490 594 D N -0.077 120.072 120.400 -0.417 0.000 2.358 594 D HA 0.213 4.853 4.640 0.001 0.000 0.224 594 D C 0.283 176.512 176.300 -0.119 0.000 1.123 594 D CA 0.163 54.086 54.000 -0.127 0.000 0.833 594 D CB -0.272 40.583 40.800 0.092 0.000 0.946 594 D HN 0.068 nan 8.370 nan 0.000 0.505 595 S N -1.743 113.832 115.700 -0.208 0.000 3.091 595 S HA -0.144 4.327 4.470 0.001 0.000 0.275 595 S C 0.210 174.710 174.600 -0.167 0.000 1.306 595 S CA 0.741 58.830 58.200 -0.184 0.000 1.083 595 S CB -2.183 60.969 63.200 -0.080 0.000 1.313 595 S HN 0.541 nan 8.310 nan 0.000 0.673 596 T N 3.823 118.276 114.554 -0.168 0.000 2.761 596 T HA 0.403 4.753 4.350 0.001 0.000 0.296 596 T C -2.313 172.252 174.700 -0.226 0.000 0.934 596 T CA -0.857 61.165 62.100 -0.130 0.000 1.091 596 T CB 0.761 69.570 68.868 -0.097 0.000 0.896 596 T HN 0.006 nan 8.240 nan 0.000 0.515 597 P HA 0.120 nan 4.420 nan 0.000 0.265 597 P C 0.387 177.583 177.300 -0.174 0.000 1.193 597 P CA -0.253 62.621 63.100 -0.375 0.000 0.765 597 P CB 0.209 31.613 31.700 -0.494 0.000 0.823 598 T N 0.997 115.418 114.554 -0.222 0.000 2.874 598 T HA 0.305 4.655 4.350 0.001 0.000 0.281 598 T C -1.829 172.919 174.700 0.080 0.000 0.994 598 T CA -1.964 60.089 62.100 -0.077 0.000 1.015 598 T CB 0.273 69.105 68.868 -0.061 0.000 1.028 598 T HN 0.120 nan 8.240 nan 0.000 0.523 599 P HA 0.017 nan 4.420 nan 0.000 0.219 599 P C 1.755 179.164 177.300 0.180 0.000 1.146 599 P CA 1.119 64.326 63.100 0.179 0.000 0.808 599 P CB -0.413 31.361 31.700 0.123 0.000 0.779 600 G N -0.219 108.642 108.800 0.102 0.000 2.432 600 G HA2 -0.231 3.730 3.960 0.001 0.000 0.219 600 G HA3 -0.231 3.730 3.960 0.001 0.000 0.219 600 G C 1.403 176.346 174.900 0.071 0.000 1.135 600 G CA 0.356 45.496 45.100 0.066 0.000 0.767 600 G HN 0.230 nan 8.290 nan 0.000 0.550 601 L N -0.647 120.562 121.223 -0.023 0.000 2.109 601 L HA 0.173 4.514 4.340 0.001 0.000 0.207 601 L C 2.521 179.456 176.870 0.109 0.000 1.086 601 L CA 1.227 55.998 54.840 -0.115 0.000 0.760 601 L CB -0.608 41.119 42.059 -0.553 0.000 0.910 601 L HN 0.310 nan 8.230 nan 0.000 0.437 602 Y N -0.173 120.233 120.300 0.176 0.000 2.224 602 Y HA -0.265 4.285 4.550 0.001 0.000 0.289 602 Y C 2.660 178.693 175.900 0.221 0.000 1.146 602 Y CA 1.641 59.925 58.100 0.307 0.000 1.182 602 Y CB -0.214 38.381 38.460 0.226 0.000 0.983 602 Y HN 0.294 nan 8.280 nan 0.000 0.524 603 E N 0.087 120.481 120.200 0.324 0.000 2.051 603 E HA -0.240 4.111 4.350 0.001 0.000 0.192 603 E C 1.958 178.678 176.600 0.200 0.000 0.991 603 E CA 1.423 57.959 56.400 0.227 0.000 0.799 603 E CB -0.655 29.155 29.700 0.183 0.000 0.748 603 E HN 0.393 nan 8.360 nan 0.000 0.449 604 F N 1.601 121.594 119.950 0.070 0.000 2.069 604 F HA -0.226 4.301 4.527 0.001 0.000 0.298 604 F C 2.220 178.048 175.800 0.047 0.000 1.113 604 F CA 2.364 60.386 58.000 0.038 0.000 1.214 604 F CB -0.410 38.607 39.000 0.028 0.000 0.978 604 F HN -0.016 nan 8.300 nan 0.000 0.474 605 K N -0.076 120.458 120.400 0.222 0.000 2.044 605 K HA -0.349 3.971 4.320 0.001 0.000 0.210 605 K C 2.258 178.817 176.600 -0.068 0.000 1.049 605 K CA 2.093 58.439 56.287 0.098 0.000 0.927 605 K CB -0.461 32.222 32.500 0.306 0.000 0.713 605 K HN 0.416 nan 8.250 nan 0.000 0.443 606 Q N 1.064 120.874 119.800 0.017 0.000 2.050 606 Q HA -0.107 4.233 4.340 0.001 0.000 0.202 606 Q C 1.910 177.847 176.000 -0.106 0.000 0.980 606 Q CA 1.871 57.670 55.803 -0.007 0.000 0.840 606 Q CB -0.223 28.563 28.738 0.080 0.000 0.898 606 Q HN 0.504 nan 8.270 nan 0.000 0.424 607 I N 0.107 120.575 120.570 -0.170 0.000 2.286 607 I HA -0.175 3.995 4.170 0.001 0.000 0.248 607 I C 1.813 177.729 176.117 -0.336 0.000 1.115 607 I CA 1.178 62.327 61.300 -0.253 0.000 1.392 607 I CB -0.136 37.717 38.000 -0.245 0.000 1.065 607 I HN 0.268 nan 8.210 nan 0.000 0.418 608 V N -2.638 116.951 119.914 -0.542 0.000 3.596 608 V HA 0.174 4.294 4.120 0.001 0.000 0.289 608 V C 1.016 176.798 176.094 -0.519 0.000 1.336 608 V CA -0.420 61.398 62.300 -0.804 0.000 1.137 608 V CB -0.561 30.413 31.823 -1.415 0.000 0.966 608 V HN 0.256 nan 8.190 nan 0.000 0.428 609 S N 3.134 118.663 115.700 -0.285 0.000 2.593 609 S HA 0.118 4.588 4.470 0.001 0.000 0.300 609 S C -0.300 174.245 174.600 -0.091 0.000 1.267 609 S CA 0.051 58.164 58.200 -0.146 0.000 1.065 609 S CB 0.838 63.988 63.200 -0.084 0.000 0.807 609 S HN 0.629 nan 8.310 nan 0.000 0.499 610 P HA 0.091 nan 4.420 nan 0.000 0.229 610 P C -0.109 177.198 177.300 0.012 0.000 1.160 610 P CA 0.517 63.624 63.100 0.012 0.000 0.777 610 P CB 0.027 31.745 31.700 0.030 0.000 0.814 611 I N 1.126 121.697 120.570 0.001 0.000 2.388 611 I HA 0.300 4.470 4.170 0.001 0.000 0.281 611 I C 0.519 176.637 176.117 0.002 0.000 1.046 611 I CA -1.419 59.885 61.300 0.006 0.000 1.187 611 I CB 0.748 38.754 38.000 0.011 0.000 1.351 611 I HN -0.145 nan 8.210 nan 0.000 0.472 612 R N 6.689 127.191 120.500 0.003 0.000 2.298 612 R HA 0.584 4.924 4.340 0.001 0.000 0.310 612 R C -1.294 175.013 176.300 0.012 0.000 1.068 612 R CA 0.056 56.158 56.100 0.003 0.000 0.957 612 R CB 0.547 30.848 30.300 0.002 0.000 1.003 612 R HN 0.565 nan 8.270 nan 0.000 0.454 613 L N 3.611 124.845 121.223 0.019 0.000 2.346 613 L HA 0.728 5.069 4.340 0.001 0.000 0.276 613 L C 0.313 177.203 176.870 0.035 0.000 1.006 613 L CA -0.971 53.886 54.840 0.028 0.000 0.817 613 L CB 2.383 44.463 42.059 0.036 0.000 1.272 613 L HN 0.848 nan 8.230 nan 0.000 0.421 614 G N 2.886 111.704 108.800 0.031 0.000 2.620 614 G HA2 0.761 4.721 3.960 0.001 0.000 0.301 614 G HA3 0.761 4.721 3.960 0.001 0.000 0.301 614 G C -1.533 173.382 174.900 0.026 0.000 1.347 614 G CA -0.441 44.678 45.100 0.033 0.000 0.971 614 G HN 0.364 nan 8.290 nan 0.000 0.488 615 L N 1.276 122.516 121.223 0.029 0.000 2.381 615 L HA 0.788 5.129 4.340 0.001 0.000 0.268 615 L C 0.106 176.979 176.870 0.004 0.000 0.997 615 L CA -0.797 54.051 54.840 0.013 0.000 0.818 615 L CB 2.559 44.633 42.059 0.025 0.000 1.310 615 L HN 0.788 nan 8.230 nan 0.000 0.416 616 S N 2.208 117.899 115.700 -0.015 0.000 2.607 616 S HA 0.722 5.192 4.470 0.001 0.000 0.273 616 S C -1.436 173.140 174.600 -0.040 0.000 1.148 616 S CA -0.804 57.382 58.200 -0.022 0.000 0.833 616 S CB 2.228 65.419 63.200 -0.015 0.000 1.130 616 S HN 0.428 nan 8.310 nan 0.000 0.470 617 L N 2.452 123.649 121.223 -0.044 0.000 2.353 617 L HA 0.606 4.947 4.340 0.001 0.000 0.270 617 L C -2.490 174.354 176.870 -0.043 0.000 1.003 617 L CA -1.545 53.263 54.840 -0.052 0.000 0.862 617 L CB 0.983 43.004 42.059 -0.063 0.000 1.221 617 L HN 0.643 nan 8.230 nan 0.000 0.430 618 P HA 0.219 nan 4.420 nan 0.000 0.271 618 P C -0.503 176.777 177.300 -0.033 0.000 1.216 618 P CA -0.424 62.657 63.100 -0.032 0.000 0.776 618 P CB 0.897 32.579 31.700 -0.030 0.000 0.881 619 A N 2.448 125.251 122.820 -0.028 0.000 2.583 619 A HA 0.300 4.620 4.320 0.001 0.000 0.249 619 A C 1.632 179.199 177.584 -0.028 0.000 1.035 619 A CA 0.780 52.801 52.037 -0.027 0.000 0.777 619 A CB -1.555 17.432 19.000 -0.021 0.000 0.942 619 A HN 1.019 nan 8.150 nan 0.000 0.516 620 G N 1.867 110.649 108.800 -0.031 0.000 2.186 620 G HA2 -0.067 3.894 3.960 0.001 0.000 0.266 620 G HA3 -0.067 3.894 3.960 0.001 0.000 0.266 620 G C 0.982 175.861 174.900 -0.034 0.000 0.982 620 G CA 1.112 46.194 45.100 -0.031 0.000 0.670 620 G HN 1.924 nan 8.290 nan 0.000 0.533 621 G N -0.625 108.151 108.800 -0.039 0.000 2.568 621 G HA2 0.682 4.642 3.960 0.001 0.000 0.293 621 G HA3 0.682 4.642 3.960 0.001 0.000 0.293 621 G C 0.191 175.058 174.900 -0.056 0.000 1.347 621 G CA -0.161 44.913 45.100 -0.044 0.000 1.039 621 G HN 0.727 nan 8.290 nan 0.000 0.523 622 K N -0.540 119.821 120.400 -0.066 0.000 2.185 622 K HA 0.480 4.800 4.320 0.001 0.000 0.240 622 K C -2.881 173.659 176.600 -0.100 0.000 0.983 622 K CA -1.823 54.410 56.287 -0.089 0.000 0.873 622 K CB 1.592 34.031 32.500 -0.102 0.000 1.118 622 K HN 0.039 nan 8.250 nan 0.000 0.441 623 P HA -0.035 nan 4.420 nan 0.000 0.258 623 P C -0.984 176.244 177.300 -0.120 0.000 1.172 623 P CA 0.475 63.499 63.100 -0.127 0.000 0.762 623 P CB 0.165 31.760 31.700 -0.175 0.000 0.764 624 T N 4.771 119.275 114.554 -0.082 0.000 2.758 624 T HA 0.388 4.738 4.350 0.001 0.000 0.285 624 T C -0.225 174.446 174.700 -0.048 0.000 0.981 624 T CA -0.409 61.652 62.100 -0.065 0.000 0.965 624 T CB 0.466 69.306 68.868 -0.046 0.000 0.927 624 T HN 0.125 nan 8.240 nan 0.000 0.448 625 L N 4.129 125.323 121.223 -0.047 0.000 2.264 625 L HA 0.740 5.080 4.340 0.001 0.000 0.289 625 L C -0.041 176.823 176.870 -0.010 0.000 1.044 625 L CA -0.494 54.333 54.840 -0.023 0.000 0.807 625 L CB 0.252 42.299 42.059 -0.021 0.000 1.192 625 L HN 0.724 nan 8.230 nan 0.000 0.425 626 A N 5.318 128.137 122.820 -0.001 0.000 2.290 626 A HA 0.733 5.053 4.320 0.001 0.000 0.310 626 A C -0.953 176.637 177.584 0.009 0.000 1.202 626 A CA -0.474 51.565 52.037 0.003 0.000 0.837 626 A CB 0.825 19.828 19.000 0.004 0.000 1.139 626 A HN 0.556 nan 8.150 nan 0.000 0.509 627 V N 1.607 121.526 119.914 0.009 0.000 2.531 627 V HA 0.701 4.822 4.120 0.001 0.000 0.301 627 V C 0.141 176.241 176.094 0.010 0.000 1.034 627 V CA -0.280 62.027 62.300 0.012 0.000 0.865 627 V CB 1.503 33.334 31.823 0.015 0.000 0.995 627 V HN 1.233 nan 8.190 nan 0.000 0.424 628 A N 3.456 126.281 122.820 0.010 0.000 2.330 628 A HA 0.696 5.016 4.320 0.001 0.000 0.313 628 A C -0.417 177.173 177.584 0.011 0.000 1.124 628 A CA -0.607 51.435 52.037 0.009 0.000 0.774 628 A CB 1.014 20.018 19.000 0.007 0.000 1.198 628 A HN 0.702 nan 8.150 nan 0.000 0.465 629 N N 2.954 121.661 118.700 0.011 0.000 2.415 629 N HA 0.233 4.973 4.740 0.001 0.000 0.246 629 N C 0.019 175.539 175.510 0.017 0.000 1.078 629 N CA -0.280 52.778 53.050 0.013 0.000 0.942 629 N CB 0.414 38.907 38.487 0.010 0.000 1.140 629 N HN 0.615 nan 8.380 nan 0.000 0.501 630 L N 2.382 123.620 121.223 0.024 0.000 2.653 630 L HA 0.249 4.589 4.340 0.001 0.000 0.231 630 L C 1.117 178.017 176.870 0.049 0.000 1.153 630 L CA -0.137 54.723 54.840 0.034 0.000 0.933 630 L CB -0.089 41.995 42.059 0.042 0.000 1.175 630 L HN 0.302 nan 8.230 nan 0.000 0.473 631 R N -0.618 119.909 120.500 0.046 0.000 2.774 631 R HA -0.004 4.337 4.340 0.001 0.000 0.269 631 R C 1.469 177.822 176.300 0.088 0.000 1.068 631 R CA -0.120 56.021 56.100 0.068 0.000 1.180 631 R CB 0.525 30.852 30.300 0.046 0.000 1.077 631 R HN 0.121 nan 8.270 nan 0.000 0.513 632 H N 0.005 119.091 119.070 0.027 0.000 2.343 632 H HA -0.070 4.486 4.556 0.001 0.000 0.303 632 H C 1.123 176.472 175.328 0.037 0.000 1.068 632 H CA 2.120 58.193 56.048 0.043 0.000 1.359 632 H CB 0.664 30.494 29.762 0.113 0.000 1.402 632 H HN 0.726 nan 8.280 nan 0.000 0.515 633 T N -2.380 112.172 114.554 -0.004 0.000 3.105 633 T HA 0.428 4.779 4.350 0.001 0.000 0.257 633 T C 0.723 175.399 174.700 -0.041 0.000 0.949 633 T CA 0.208 62.254 62.100 -0.089 0.000 0.959 633 T CB -0.368 68.465 68.868 -0.058 0.000 1.205 633 T HN 0.357 nan 8.240 nan 0.000 0.496 634 A N 3.088 125.898 122.820 -0.017 0.000 2.388 634 A HA 0.579 4.900 4.320 0.001 0.000 0.257 634 A C 0.242 177.819 177.584 -0.013 0.000 1.095 634 A CA -0.316 51.706 52.037 -0.025 0.000 0.791 634 A CB -0.032 18.949 19.000 -0.032 0.000 1.029 634 A HN 0.708 nan 8.150 nan 0.000 0.489 635 D N 1.083 121.475 120.400 -0.013 0.000 2.414 635 D HA 0.367 5.008 4.640 0.001 0.000 0.251 635 D C 0.613 176.912 176.300 -0.003 0.000 1.252 635 D CA 0.117 54.114 54.000 -0.006 0.000 0.999 635 D CB 0.744 41.542 40.800 -0.005 0.000 1.093 635 D HN 0.421 nan 8.370 nan 0.000 0.515 636 A N -0.389 122.431 122.820 0.001 0.000 2.411 636 A HA 0.158 4.479 4.320 0.001 0.000 0.251 636 A C 1.676 179.261 177.584 0.001 0.000 1.317 636 A CA 0.375 52.414 52.037 0.004 0.000 0.904 636 A CB -1.074 17.931 19.000 0.008 0.000 0.993 636 A HN 0.525 nan 8.150 nan 0.000 0.504 637 S N 0.924 116.622 115.700 -0.004 0.000 2.447 637 S HA -0.166 4.304 4.470 0.001 0.000 0.233 637 S C 1.257 175.850 174.600 -0.011 0.000 1.006 637 S CA 1.133 59.329 58.200 -0.006 0.000 0.957 637 S CB -0.337 62.858 63.200 -0.009 0.000 0.773 637 S HN 0.701 nan 8.310 nan 0.000 0.507 638 D N 1.028 121.420 120.400 -0.013 0.000 2.349 638 D HA 0.075 4.716 4.640 0.001 0.000 0.224 638 D C 0.346 176.637 176.300 -0.015 0.000 1.029 638 D CA -0.000 53.987 54.000 -0.021 0.000 0.879 638 D CB -0.222 40.562 40.800 -0.026 0.000 0.906 638 D HN 0.351 nan 8.370 nan 0.000 0.528 639 V N 0.700 120.612 119.914 -0.004 0.000 2.630 639 V HA 0.448 4.568 4.120 0.001 0.000 0.305 639 V C -0.178 175.918 176.094 0.003 0.000 1.046 639 V CA -1.031 61.271 62.300 0.002 0.000 0.934 639 V CB 2.298 34.128 31.823 0.010 0.000 1.003 639 V HN 0.029 nan 8.190 nan 0.000 0.451 640 V N 5.795 125.711 119.914 0.004 0.000 2.823 640 V HA 0.598 4.718 4.120 0.001 0.000 0.312 640 V C -0.923 175.185 176.094 0.022 0.000 1.072 640 V CA -0.632 61.675 62.300 0.012 0.000 0.937 640 V CB 2.144 33.968 31.823 0.002 0.000 1.013 640 V HN 0.734 nan 8.190 nan 0.000 0.430 641 L N 6.927 128.177 121.223 0.045 0.000 2.262 641 L HA 0.620 4.960 4.340 0.001 0.000 0.288 641 L C 0.184 177.112 176.870 0.097 0.000 1.035 641 L CA -0.393 54.490 54.840 0.072 0.000 0.820 641 L CB 1.008 43.120 42.059 0.089 0.000 1.204 641 L HN 0.516 nan 8.230 nan 0.000 0.424 642 R N 4.416 124.956 120.500 0.066 0.000 2.294 642 R HA 0.400 4.741 4.340 0.001 0.000 0.319 642 R C -0.965 175.396 176.300 0.101 0.000 0.984 642 R CA -0.503 55.609 56.100 0.021 0.000 0.861 642 R CB 1.694 31.971 30.300 -0.038 0.000 1.104 642 R HN 0.628 nan 8.270 nan 0.000 0.451 643 W N 3.326 124.633 121.300 0.011 0.000 2.639 643 W HA 0.624 5.285 4.660 0.001 0.000 0.347 643 W C -0.850 175.683 176.519 0.023 0.000 1.067 643 W CA -1.229 56.128 57.345 0.020 0.000 1.218 643 W CB 0.937 30.410 29.460 0.021 0.000 1.393 643 W HN 0.578 nan 8.180 nan 0.000 0.557 644 R N 0.877 121.562 120.500 0.308 0.000 2.668 644 R HA 0.698 5.038 4.340 0.001 0.000 0.272 644 R C -2.250 174.263 176.300 0.354 0.000 1.019 644 R CA -0.944 55.261 56.100 0.176 0.000 0.894 644 R CB 1.886 32.200 30.300 0.023 0.000 1.228 644 R HN 0.275 nan 8.270 nan 0.000 0.460 645 V N 1.854 121.976 119.914 0.345 0.000 2.459 645 V HA 0.383 4.504 4.120 0.001 0.000 0.295 645 V C -0.341 175.885 176.094 0.221 0.000 1.029 645 V CA -0.651 61.823 62.300 0.290 0.000 0.874 645 V CB 1.604 33.599 31.823 0.286 0.000 0.985 645 V HN 0.775 nan 8.190 nan 0.000 0.438 646 E N 2.565 122.910 120.200 0.242 0.000 2.187 646 E HA 0.363 4.714 4.350 0.001 0.000 0.268 646 E C -0.951 175.831 176.600 0.304 0.000 0.896 646 E CA -0.581 55.958 56.400 0.232 0.000 0.766 646 E CB 1.953 31.778 29.700 0.208 0.000 1.142 646 E HN 0.788 nan 8.360 nan 0.000 0.408 647 H N 4.430 123.581 119.070 0.134 0.000 2.597 647 H HA 0.066 4.623 4.556 0.001 0.000 0.303 647 H C -0.701 174.673 175.328 0.077 0.000 1.057 647 H CA -0.640 55.471 56.048 0.106 0.000 1.261 647 H CB 0.432 30.230 29.762 0.060 0.000 1.397 647 H HN 0.562 nan 8.280 nan 0.000 0.461 648 D N 4.550 124.935 120.400 -0.024 0.000 2.701 648 D HA -0.193 4.448 4.640 0.001 0.000 0.235 648 D C 1.249 177.529 176.300 -0.033 0.000 1.155 648 D CA 1.600 55.433 54.000 -0.280 0.000 0.649 648 D CB -1.365 39.147 40.800 -0.479 0.000 1.050 648 D HN 1.110 nan 8.370 nan 0.000 0.425 649 G N -1.572 107.375 108.800 0.244 0.000 2.217 649 G HA2 -0.134 3.827 3.960 0.001 0.000 0.246 649 G HA3 -0.134 3.827 3.960 0.001 0.000 0.246 649 G C 0.404 175.348 174.900 0.074 0.000 0.990 649 G CA 0.489 45.712 45.100 0.206 0.000 0.627 649 G HN 1.241 nan 8.290 nan 0.000 0.522 650 A N 0.609 123.463 122.820 0.056 0.000 2.274 650 A HA 0.748 5.069 4.320 0.001 0.000 0.309 650 A C 0.535 178.161 177.584 0.071 0.000 1.226 650 A CA -0.028 52.030 52.037 0.036 0.000 0.853 650 A CB 1.322 20.324 19.000 0.004 0.000 1.146 650 A HN 1.171 nan 8.150 nan 0.000 0.518 651 V N 2.461 122.403 119.914 0.048 0.000 2.540 651 V HA 0.212 4.333 4.120 0.001 0.000 0.297 651 V C 1.314 177.446 176.094 0.064 0.000 1.024 651 V CA 1.160 63.492 62.300 0.053 0.000 1.105 651 V CB 0.523 32.352 31.823 0.010 0.000 0.938 651 V HN 1.099 nan 8.190 nan 0.000 0.482 652 A N 4.000 126.876 122.820 0.094 0.000 2.013 652 A HA 0.794 5.115 4.320 0.001 0.000 0.204 652 A C 0.897 178.530 177.584 0.081 0.000 1.262 652 A CA 0.768 52.862 52.037 0.095 0.000 0.800 652 A CB 0.306 19.382 19.000 0.126 0.000 0.909 652 A HN 1.222 nan 8.150 nan 0.000 0.472 653 A N -0.646 122.234 122.820 0.100 0.000 2.594 653 A HA 0.711 5.031 4.320 0.001 0.000 0.295 653 A C -0.497 177.033 177.584 -0.090 0.000 1.071 653 A CA 0.218 52.307 52.037 0.087 0.000 0.685 653 A CB 0.945 20.112 19.000 0.278 0.000 1.285 653 A HN 1.439 nan 8.150 nan 0.000 0.405 654 S N -0.385 115.030 115.700 -0.476 0.000 2.587 654 S HA 0.949 5.419 4.470 0.001 0.000 0.269 654 S C -0.296 173.487 174.600 -1.360 0.000 1.154 654 S CA -0.081 57.490 58.200 -1.048 0.000 0.824 654 S CB 1.171 64.070 63.200 -0.502 0.000 1.118 654 S HN 2.558 nan 8.310 nan 0.000 0.462 655 G N 0.002 107.736 108.800 -1.776 0.000 2.548 655 G HA2 0.623 4.583 3.960 0.001 0.000 0.301 655 G HA3 0.623 4.583 3.960 0.001 0.000 0.301 655 G C -2.279 172.207 174.900 -0.691 0.000 1.349 655 G CA -0.769 43.700 45.100 -1.051 0.000 0.792 655 G HN 0.750 nan 8.290 nan 0.000 0.481 656 E N -1.082 119.020 120.200 -0.164 0.000 2.317 656 E HA 0.628 4.979 4.350 0.001 0.000 0.270 656 E C -1.389 175.298 176.600 0.145 0.000 0.885 656 E CA -0.766 55.635 56.400 0.002 0.000 0.760 656 E CB 3.205 32.888 29.700 -0.028 0.000 1.227 656 E HN 0.274 nan 8.360 nan 0.000 0.434 657 V N 1.048 121.057 119.914 0.159 0.000 2.876 657 V HA 0.560 4.681 4.120 0.001 0.000 0.312 657 V C -0.486 175.653 176.094 0.076 0.000 1.085 657 V CA -0.777 61.602 62.300 0.131 0.000 0.945 657 V CB 2.002 33.920 31.823 0.158 0.000 1.017 657 V HN 0.842 nan 8.190 nan 0.000 0.428 658 A N 2.444 125.296 122.820 0.053 0.000 2.340 658 A HA 0.749 5.069 4.320 0.001 0.000 0.268 658 A C 0.492 178.095 177.584 0.032 0.000 1.100 658 A CA 0.181 52.239 52.037 0.034 0.000 0.803 658 A CB 0.645 19.659 19.000 0.024 0.000 1.043 658 A HN 1.512 nan 8.150 nan 0.000 0.488 659 A N 2.870 125.704 122.820 0.025 0.000 2.671 659 A HA 0.495 4.815 4.320 0.001 0.000 0.306 659 A C 0.074 177.667 177.584 0.015 0.000 1.473 659 A CA -0.259 51.790 52.037 0.021 0.000 1.155 659 A CB -0.357 18.654 19.000 0.018 0.000 1.123 659 A HN 0.720 nan 8.150 nan 0.000 0.545 660 E N 1.316 121.524 120.200 0.015 0.000 2.227 660 E HA 0.593 4.943 4.350 0.001 0.000 0.268 660 E C 0.397 177.002 176.600 0.008 0.000 0.907 660 E CA -0.367 56.040 56.400 0.011 0.000 0.786 660 E CB 2.277 31.984 29.700 0.011 0.000 1.191 660 E HN 0.553 nan 8.360 nan 0.000 0.411 661 G N 0.064 108.868 108.800 0.007 0.000 2.990 661 G HA2 0.186 4.147 3.960 0.001 0.000 0.208 661 G HA3 0.186 4.147 3.960 0.001 0.000 0.208 661 G C 0.797 175.699 174.900 0.005 0.000 1.334 661 G CA 0.113 45.216 45.100 0.005 0.000 1.024 661 G HN 0.426 nan 8.290 nan 0.000 0.574 662 S N -1.644 114.059 115.700 0.004 0.000 2.453 662 S HA 0.023 4.493 4.470 0.001 0.000 0.231 662 S C 0.392 174.995 174.600 0.004 0.000 1.005 662 S CA 1.532 59.735 58.200 0.004 0.000 0.949 662 S CB 0.108 63.310 63.200 0.003 0.000 0.774 662 S HN 0.400 nan 8.310 nan 0.000 0.510 663 D N 0.222 120.625 120.400 0.005 0.000 2.429 663 D HA 0.510 5.150 4.640 0.001 0.000 0.255 663 D C 0.441 176.745 176.300 0.006 0.000 1.257 663 D CA 0.839 54.842 54.000 0.006 0.000 0.890 663 D CB 0.638 41.441 40.800 0.006 0.000 1.267 663 D HN 0.433 nan 8.370 nan 0.000 0.521 664 G N 3.192 111.995 108.800 0.006 0.000 2.553 664 G HA2 -0.222 3.739 3.960 0.001 0.000 0.242 664 G HA3 -0.222 3.739 3.960 0.001 0.000 0.242 664 G C -2.309 172.594 174.900 0.005 0.000 1.277 664 G CA -0.791 44.313 45.100 0.005 0.000 0.910 664 G HN 0.431 nan 8.290 nan 0.000 0.576 665 P HA 0.344 nan 4.420 nan 0.000 0.265 665 P C 0.309 177.612 177.300 0.005 0.000 1.187 665 P CA -0.340 62.762 63.100 0.004 0.000 0.766 665 P CB 0.426 32.127 31.700 0.002 0.000 0.820 666 L N 4.322 125.548 121.223 0.006 0.000 2.513 666 L HA 0.028 4.368 4.340 0.001 0.000 0.272 666 L C 0.699 177.571 176.870 0.004 0.000 1.187 666 L CA 0.729 55.572 54.840 0.006 0.000 0.895 666 L CB -0.288 41.776 42.059 0.008 0.000 1.147 666 L HN 0.296 nan 8.230 nan 0.000 0.483 667 R N 3.768 124.269 120.500 0.003 0.000 2.528 667 R HA 0.606 4.947 4.340 0.001 0.000 0.271 667 R C -0.048 176.251 176.300 -0.001 0.000 1.056 667 R CA -0.395 55.705 56.100 0.000 0.000 1.117 667 R CB 0.582 30.883 30.300 0.001 0.000 1.085 667 R HN 0.850 nan 8.270 nan 0.000 0.530 668 A N 0.845 123.661 122.820 -0.007 0.000 2.546 668 A HA 0.326 4.646 4.320 0.001 0.000 0.243 668 A C 1.238 178.817 177.584 -0.008 0.000 1.063 668 A CA 0.891 52.923 52.037 -0.008 0.000 0.757 668 A CB -0.639 18.347 19.000 -0.024 0.000 0.991 668 A HN 0.930 nan 8.150 nan 0.000 0.503 669 G N 1.211 110.011 108.800 0.000 0.000 2.179 669 G HA2 -0.242 3.719 3.960 0.001 0.000 0.260 669 G HA3 -0.242 3.719 3.960 0.001 0.000 0.260 669 G C 0.164 175.065 174.900 0.002 0.000 0.977 669 G CA 0.645 45.745 45.100 0.000 0.000 0.641 669 G HN 1.082 nan 8.290 nan 0.000 0.533 670 E N 0.421 120.622 120.200 0.002 0.000 2.242 670 E HA 0.671 5.022 4.350 0.001 0.000 0.275 670 E C -0.154 176.448 176.600 0.004 0.000 1.002 670 E CA -0.334 56.067 56.400 0.003 0.000 0.841 670 E CB 0.974 30.676 29.700 0.003 0.000 1.109 670 E HN 0.168 nan 8.360 nan 0.000 0.394 671 S N 0.691 116.393 115.700 0.003 0.000 2.607 671 S HA 0.884 5.354 4.470 0.001 0.000 0.303 671 S C -1.153 173.449 174.600 0.003 0.000 1.086 671 S CA -0.594 57.608 58.200 0.003 0.000 0.995 671 S CB 1.819 65.020 63.200 0.002 0.000 1.084 671 S HN 0.666 nan 8.310 nan 0.000 0.507 672 A N 1.100 123.922 122.820 0.003 0.000 2.610 672 A HA 0.854 5.175 4.320 0.001 0.000 0.291 672 A C -0.654 176.930 177.584 -0.000 0.000 1.086 672 A CA -0.813 51.225 52.037 0.002 0.000 0.677 672 A CB 1.220 20.223 19.000 0.003 0.000 1.278 672 A HN 0.847 nan 8.150 nan 0.000 0.414 673 T N -1.101 113.451 114.554 -0.003 0.000 2.887 673 T HA 0.804 5.155 4.350 0.001 0.000 0.288 673 T C -0.681 174.012 174.700 -0.011 0.000 1.021 673 T CA -0.471 61.624 62.100 -0.008 0.000 1.000 673 T CB 0.940 69.800 68.868 -0.012 0.000 1.034 673 T HN 0.673 nan 8.240 nan 0.000 0.467 674 I N 1.417 121.976 120.570 -0.018 0.000 2.569 674 I HA 0.606 4.776 4.170 0.001 0.000 0.290 674 I C -0.029 176.059 176.117 -0.049 0.000 1.088 674 I CA -1.433 59.852 61.300 -0.024 0.000 1.047 674 I CB 2.105 40.097 38.000 -0.013 0.000 1.237 674 I HN 0.940 nan 8.210 nan 0.000 0.421 675 A N 7.265 130.052 122.820 -0.056 0.000 2.289 675 A HA 0.762 5.082 4.320 0.001 0.000 0.298 675 A C -0.324 177.186 177.584 -0.123 0.000 1.208 675 A CA -0.330 51.658 52.037 -0.083 0.000 0.845 675 A CB 0.404 19.364 19.000 -0.066 0.000 1.125 675 A HN 0.691 nan 8.150 nan 0.000 0.517 676 L N 2.758 123.861 121.223 -0.200 0.000 2.448 676 L HA 0.396 4.737 4.340 0.001 0.000 0.258 676 L C -1.982 174.705 176.870 -0.304 0.000 1.104 676 L CA -2.187 52.449 54.840 -0.340 0.000 0.800 676 L CB 0.562 42.278 42.059 -0.573 0.000 1.241 676 L HN 0.417 nan 8.230 nan 0.000 0.472 677 P HA 0.049 nan 4.420 nan 0.000 0.270 677 P C -0.851 176.322 177.300 -0.212 0.000 1.223 677 P CA -0.343 62.632 63.100 -0.209 0.000 0.785 677 P CB 0.417 32.041 31.700 -0.127 0.000 0.923 678 A N 2.794 125.543 122.820 -0.118 0.000 2.531 678 A HA 0.210 4.531 4.320 0.001 0.000 0.236 678 A C 0.158 177.687 177.584 -0.092 0.000 1.062 678 A CA 0.534 52.512 52.037 -0.097 0.000 0.760 678 A CB -0.738 18.227 19.000 -0.059 0.000 0.995 678 A HN 0.511 nan 8.150 nan 0.000 0.501 679 M N 4.444 123.990 119.600 -0.090 0.000 1.986 679 M HA 0.232 4.713 4.480 0.001 0.000 0.247 679 M C -2.398 173.876 176.300 -0.043 0.000 0.851 679 M CA -1.343 53.924 55.300 -0.054 0.000 0.785 679 M CB 1.392 33.952 32.600 -0.068 0.000 1.554 679 M HN 0.488 nan 8.290 nan 0.000 0.361 680 P HA 0.098 nan 4.420 nan 0.000 0.262 680 P C -0.251 177.016 177.300 -0.055 0.000 1.182 680 P CA 0.068 63.142 63.100 -0.044 0.000 0.761 680 P CB 0.511 32.189 31.700 -0.037 0.000 0.795 681 A N 3.496 126.276 122.820 -0.067 0.000 2.520 681 A HA 0.416 4.736 4.320 0.001 0.000 0.245 681 A C 0.853 178.367 177.584 -0.116 0.000 1.072 681 A CA -0.029 51.958 52.037 -0.084 0.000 0.761 681 A CB -0.328 18.625 19.000 -0.080 0.000 1.004 681 A HN 0.710 nan 8.150 nan 0.000 0.499 682 A N 4.776 127.481 122.820 -0.191 0.000 2.546 682 A HA 0.424 4.745 4.320 0.001 0.000 0.243 682 A C -0.910 176.557 177.584 -0.194 0.000 1.063 682 A CA -0.653 51.187 52.037 -0.328 0.000 0.757 682 A CB -0.383 18.078 19.000 -0.898 0.000 0.991 682 A HN 0.676 nan 8.150 nan 0.000 0.503 683 P HA -0.117 nan 4.420 nan 0.000 0.216 683 P C -0.034 177.244 177.300 -0.038 0.000 1.154 683 P CA 1.255 64.314 63.100 -0.069 0.000 0.865 683 P CB -0.000 31.669 31.700 -0.051 0.000 0.789 684 L N -3.234 117.976 121.223 -0.021 0.000 2.323 684 L HA 0.628 4.968 4.340 0.001 0.000 0.265 684 L C 1.001 177.967 176.870 0.161 0.000 1.012 684 L CA -0.645 54.227 54.840 0.054 0.000 0.820 684 L CB 1.277 43.376 42.059 0.067 0.000 1.334 684 L HN 0.102 nan 8.230 nan 0.000 0.427 685 G N 1.191 110.075 108.800 0.141 0.000 2.697 685 G HA2 -0.182 3.779 3.960 0.001 0.000 0.240 685 G HA3 -0.182 3.779 3.960 0.001 0.000 0.240 685 G C -0.663 174.341 174.900 0.173 0.000 1.346 685 G CA -0.488 44.708 45.100 0.160 0.000 0.887 685 G HN 0.645 nan 8.290 nan 0.000 0.569 686 E N -0.359 119.962 120.200 0.202 0.000 2.214 686 E HA 0.597 4.948 4.350 0.001 0.000 0.274 686 E C -0.620 176.171 176.600 0.319 0.000 0.977 686 E CA -0.459 56.093 56.400 0.253 0.000 0.827 686 E CB 1.656 31.626 29.700 0.450 0.000 1.130 686 E HN 0.438 nan 8.360 nan 0.000 0.394 687 T N 1.994 116.627 114.554 0.132 0.000 2.809 687 T HA 0.350 4.701 4.350 0.001 0.000 0.284 687 T C -1.247 173.420 174.700 -0.055 0.000 0.992 687 T CA -0.680 61.488 62.100 0.113 0.000 0.957 687 T CB 0.357 69.228 68.868 0.006 0.000 0.942 687 T HN 0.320 nan 8.240 nan 0.000 0.439 688 W N 3.036 124.419 121.300 0.139 0.000 2.683 688 W HA 0.641 5.302 4.660 0.001 0.000 0.329 688 W C -0.758 175.824 176.519 0.105 0.000 1.037 688 W CA -0.960 56.453 57.345 0.113 0.000 1.232 688 W CB 1.342 30.875 29.460 0.122 0.000 1.390 688 W HN 0.442 nan 8.180 nan 0.000 0.465 689 L N 3.828 125.215 121.223 0.273 0.000 2.289 689 L HA 0.716 5.057 4.340 0.001 0.000 0.285 689 L C -0.171 176.855 176.870 0.259 0.000 1.049 689 L CA 0.369 55.349 54.840 0.233 0.000 0.804 689 L CB 1.074 43.205 42.059 0.120 0.000 1.195 689 L HN 0.297 nan 8.230 nan 0.000 0.428 690 T N 4.565 119.263 114.554 0.240 0.000 2.829 690 T HA 0.686 5.036 4.350 0.001 0.000 0.280 690 T C -0.842 173.974 174.700 0.193 0.000 0.999 690 T CA -0.437 61.775 62.100 0.187 0.000 0.983 690 T CB 1.597 70.545 68.868 0.133 0.000 0.968 690 T HN 0.396 nan 8.240 nan 0.000 0.446 691 V N 3.518 123.524 119.914 0.155 0.000 2.588 691 V HA 0.468 4.589 4.120 0.001 0.000 0.304 691 V C -0.444 175.707 176.094 0.095 0.000 1.042 691 V CA -0.932 61.459 62.300 0.153 0.000 0.877 691 V CB 1.902 33.811 31.823 0.143 0.000 0.996 691 V HN 0.890 nan 8.190 nan 0.000 0.425 692 E N 3.035 123.280 120.200 0.075 0.000 2.222 692 E HA 0.741 5.091 4.350 0.001 0.000 0.267 692 E C -0.621 175.995 176.600 0.027 0.000 0.884 692 E CA -0.890 55.531 56.400 0.035 0.000 0.764 692 E CB 2.504 32.209 29.700 0.008 0.000 1.169 692 E HN 0.745 nan 8.360 nan 0.000 0.413 693 A N 2.554 125.381 122.820 0.012 0.000 2.302 693 A HA 0.459 4.779 4.320 0.001 0.000 0.295 693 A C 0.153 177.726 177.584 -0.018 0.000 1.235 693 A CA -0.538 51.502 52.037 0.006 0.000 0.876 693 A CB 0.069 19.073 19.000 0.008 0.000 1.133 693 A HN 0.451 nan 8.150 nan 0.000 0.533 694 V N 1.639 121.543 119.914 -0.016 0.000 2.960 694 V HA 0.695 4.816 4.120 0.001 0.000 0.315 694 V C -0.210 175.877 176.094 -0.011 0.000 1.087 694 V CA -1.179 61.102 62.300 -0.031 0.000 0.982 694 V CB 1.474 33.274 31.823 -0.038 0.000 1.039 694 V HN 0.682 nan 8.190 nan 0.000 0.437 695 L N 3.098 124.322 121.223 0.001 0.000 2.410 695 L HA 0.433 4.774 4.340 0.001 0.000 0.273 695 L C 1.739 178.588 176.870 -0.035 0.000 1.144 695 L CA -0.149 54.683 54.840 -0.013 0.000 0.863 695 L CB 0.723 42.764 42.059 -0.030 0.000 1.140 695 L HN 0.781 nan 8.230 nan 0.000 0.463 696 R N 0.896 121.371 120.500 -0.041 0.000 2.075 696 R HA -0.028 4.313 4.340 0.001 0.000 0.232 696 R C -0.152 176.112 176.300 -0.059 0.000 1.126 696 R CA 0.869 56.943 56.100 -0.043 0.000 0.963 696 R CB 0.055 30.333 30.300 -0.036 0.000 0.858 696 R HN 0.655 nan 8.270 nan 0.000 0.435 697 D N -0.749 119.602 120.400 -0.082 0.000 2.350 697 D HA 0.340 4.980 4.640 0.001 0.000 0.238 697 D C -0.788 175.419 176.300 -0.155 0.000 0.989 697 D CA -0.509 53.430 54.000 -0.101 0.000 0.921 697 D CB 1.578 42.321 40.800 -0.095 0.000 1.297 697 D HN 0.076 nan 8.370 nan 0.000 0.490 698 A N 0.682 123.407 122.820 -0.158 0.000 2.483 698 A HA 0.462 4.783 4.320 0.001 0.000 0.238 698 A C 0.705 178.106 177.584 -0.304 0.000 1.070 698 A CA 0.130 52.035 52.037 -0.220 0.000 0.770 698 A CB -0.038 18.866 19.000 -0.159 0.000 1.008 698 A HN 0.579 nan 8.150 nan 0.000 0.497 699 T N -1.146 113.112 114.554 -0.493 0.000 2.804 699 T HA 0.588 4.938 4.350 0.001 0.000 0.272 699 T C 1.267 175.697 174.700 -0.450 0.000 0.986 699 T CA 0.036 61.785 62.100 -0.584 0.000 0.999 699 T CB 1.095 69.257 68.868 -1.176 0.000 1.307 699 T HN 0.970 nan 8.240 nan 0.000 0.586 700 G N -0.730 107.878 108.800 -0.319 0.000 2.509 700 G HA2 -0.001 3.960 3.960 0.001 0.000 0.218 700 G HA3 -0.001 3.960 3.960 0.001 0.000 0.218 700 G C 1.017 175.910 174.900 -0.012 0.000 1.124 700 G CA 0.419 45.467 45.100 -0.088 0.000 0.776 700 G HN 0.878 nan 8.290 nan 0.000 0.547 701 W N -1.655 119.603 121.300 -0.071 0.000 2.870 701 W HA 0.728 5.388 4.660 0.001 0.000 0.358 701 W C -0.015 176.418 176.519 -0.143 0.000 1.043 701 W CA -0.053 57.244 57.345 -0.080 0.000 1.692 701 W CB -0.098 29.317 29.460 -0.075 0.000 1.100 701 W HN 0.268 nan 8.180 nan 0.000 0.557 702 A N 2.424 124.979 122.820 -0.442 0.000 2.574 702 A HA 0.711 5.032 4.320 0.001 0.000 0.297 702 A C -2.799 174.584 177.584 -0.334 0.000 1.062 702 A CA -1.237 50.544 52.037 -0.426 0.000 0.686 702 A CB 1.545 20.059 19.000 -0.810 0.000 1.285 702 A HN -0.179 nan 8.150 nan 0.000 0.403 703 P HA 0.460 nan 4.420 nan 0.000 0.276 703 P C 0.121 177.360 177.300 -0.101 0.000 1.261 703 P CA -0.005 63.029 63.100 -0.111 0.000 0.800 703 P CB 0.851 32.526 31.700 -0.042 0.000 1.066 704 A N 0.166 122.935 122.820 -0.086 0.000 2.540 704 A HA 0.383 4.703 4.320 0.001 0.000 0.239 704 A C 1.443 179.007 177.584 -0.033 0.000 1.061 704 A CA 0.891 52.887 52.037 -0.068 0.000 0.758 704 A CB -1.670 17.294 19.000 -0.059 0.000 0.991 704 A HN 0.922 nan 8.150 nan 0.000 0.502 705 G N 0.709 109.494 108.800 -0.025 0.000 2.159 705 G HA2 -0.255 3.705 3.960 0.001 0.000 0.256 705 G HA3 -0.255 3.705 3.960 0.001 0.000 0.256 705 G C 0.215 175.120 174.900 0.008 0.000 0.977 705 G CA 0.723 45.815 45.100 -0.014 0.000 0.652 705 G HN 1.851 nan 8.290 nan 0.000 0.531 706 H N 2.473 121.500 119.070 -0.070 0.000 3.107 706 H HA 0.422 4.978 4.556 0.001 0.000 0.301 706 H C -1.963 173.347 175.328 -0.030 0.000 0.981 706 H CA -0.193 55.823 56.048 -0.053 0.000 1.443 706 H CB 0.851 30.565 29.762 -0.080 0.000 1.479 706 H HN 0.229 nan 8.280 nan 0.000 0.564 707 P HA 0.017 nan 4.420 nan 0.000 0.280 707 P C 0.210 177.227 177.300 -0.472 0.000 1.244 707 P CA -0.081 62.801 63.100 -0.364 0.000 0.784 707 P CB 1.266 32.836 31.700 -0.217 0.000 0.913 708 L N 1.065 122.168 121.223 -0.200 0.000 2.357 708 L HA 0.419 4.759 4.340 0.001 0.000 0.211 708 L C 1.268 178.094 176.870 -0.073 0.000 1.075 708 L CA 0.631 55.409 54.840 -0.104 0.000 0.830 708 L CB -0.244 41.805 42.059 -0.016 0.000 0.996 708 L HN 0.578 nan 8.230 nan 0.000 0.467 709 G N -0.736 108.032 108.800 -0.053 0.000 2.368 709 G HA2 0.614 4.574 3.960 0.001 0.000 0.293 709 G HA3 0.614 4.574 3.960 0.001 0.000 0.293 709 G C -2.150 172.751 174.900 0.001 0.000 1.467 709 G CA 0.098 45.187 45.100 -0.019 0.000 0.804 709 G HN 0.109 nan 8.290 nan 0.000 0.535 710 A N -1.233 121.602 122.820 0.024 0.000 2.593 710 A HA 1.016 5.337 4.320 0.001 0.000 0.290 710 A C -1.363 176.256 177.584 0.058 0.000 1.126 710 A CA -0.352 51.708 52.037 0.039 0.000 0.695 710 A CB 1.889 20.910 19.000 0.036 0.000 1.290 710 A HN 2.217 nan 8.150 nan 0.000 0.414 711 V N -0.244 119.713 119.914 0.073 0.000 3.087 711 V HA 0.651 4.771 4.120 0.001 0.000 0.306 711 V C -1.367 174.798 176.094 0.118 0.000 1.187 711 V CA -0.342 62.012 62.300 0.090 0.000 0.999 711 V CB 2.194 34.065 31.823 0.080 0.000 1.049 711 V HN 1.040 nan 8.190 nan 0.000 0.431 712 Q N 2.554 122.446 119.800 0.154 0.000 2.433 712 Q HA 0.719 5.059 4.340 0.001 0.000 0.279 712 Q C -1.924 174.222 176.000 0.243 0.000 1.105 712 Q CA -0.881 55.068 55.803 0.243 0.000 0.815 712 Q CB 2.908 31.848 28.738 0.336 0.000 1.403 712 Q HN 0.615 nan 8.270 nan 0.000 0.435 713 L N 1.190 122.554 121.223 0.236 0.000 2.436 713 L HA 0.382 4.723 4.340 0.001 0.000 0.268 713 L C -1.607 175.158 176.870 -0.176 0.000 0.974 713 L CA -0.450 54.423 54.840 0.056 0.000 0.826 713 L CB 1.960 44.020 42.059 0.002 0.000 1.291 713 L HN 0.487 nan 8.230 nan 0.000 0.406 714 D N 4.338 124.411 120.400 -0.545 0.000 2.316 714 D HA 0.259 4.900 4.640 0.001 0.000 0.245 714 D C 0.214 176.175 176.300 -0.565 0.000 1.171 714 D CA 0.232 53.536 54.000 -1.159 0.000 0.856 714 D CB 0.831 40.883 40.800 -1.247 0.000 1.090 714 D HN 0.640 nan 8.370 nan 0.000 0.476 715 L N 2.321 123.256 121.223 -0.480 0.000 2.769 715 L HA 0.187 4.528 4.340 0.001 0.000 0.240 715 L C 0.639 177.383 176.870 -0.210 0.000 1.163 715 L CA -0.289 54.401 54.840 -0.251 0.000 0.962 715 L CB 0.195 42.163 42.059 -0.152 0.000 1.258 715 L HN 0.185 nan 8.230 nan 0.000 0.513 716 S N 1.329 116.866 115.700 -0.270 0.000 2.560 716 S HA 0.335 4.805 4.470 0.001 0.000 0.284 716 S C 0.752 175.296 174.600 -0.094 0.000 1.327 716 S CA -0.471 57.641 58.200 -0.148 0.000 1.055 716 S CB 1.043 64.173 63.200 -0.117 0.000 0.868 716 S HN 0.335 nan 8.310 nan 0.000 0.506 717 A N 4.195 126.979 122.820 -0.059 0.000 2.466 717 A HA 0.382 4.702 4.320 0.001 0.000 0.238 717 A C -2.079 175.489 177.584 -0.025 0.000 1.074 717 A CA -1.066 50.945 52.037 -0.043 0.000 0.774 717 A CB -0.851 18.127 19.000 -0.037 0.000 1.015 717 A HN 0.576 nan 8.150 nan 0.000 0.498 718 P HA 0.222 nan 4.420 nan 0.000 0.262 718 P C -0.143 177.160 177.300 0.006 0.000 1.182 718 P CA 0.668 63.763 63.100 -0.008 0.000 0.761 718 P CB 0.366 32.061 31.700 -0.008 0.000 0.795 719 A N 3.475 126.305 122.820 0.017 0.000 2.520 719 A HA 0.192 4.512 4.320 0.001 0.000 0.245 719 A C 0.087 177.687 177.584 0.027 0.000 1.072 719 A CA -0.128 51.929 52.037 0.032 0.000 0.761 719 A CB -0.069 18.958 19.000 0.046 0.000 1.004 719 A HN 0.400 nan 8.150 nan 0.000 0.499 720 V N 6.701 126.633 119.914 0.030 0.000 2.304 720 V HA 0.258 4.378 4.120 0.001 0.000 0.269 720 V C -1.628 174.485 176.094 0.031 0.000 1.036 720 V CA -1.043 61.272 62.300 0.025 0.000 0.840 720 V CB 0.489 32.324 31.823 0.020 0.000 1.036 720 V HN 0.927 nan 8.190 nan 0.000 0.466 721 P HA 0.227 nan 4.420 nan 0.000 0.271 721 P C 0.106 177.423 177.300 0.028 0.000 1.216 721 P CA -0.172 62.949 63.100 0.034 0.000 0.776 721 P CB 0.474 32.193 31.700 0.032 0.000 0.881 722 T N 2.238 116.810 114.554 0.030 0.000 2.903 722 T HA 0.132 4.483 4.350 0.001 0.000 0.314 722 T C 0.589 175.302 174.700 0.022 0.000 1.078 722 T CA -0.436 61.679 62.100 0.024 0.000 1.114 722 T CB 0.269 69.152 68.868 0.025 0.000 0.987 722 T HN 0.301 nan 8.240 nan 0.000 0.548 723 R N 1.822 122.332 120.500 0.018 0.000 2.235 723 R HA 0.355 4.695 4.340 0.001 0.000 0.338 723 R C 0.043 176.354 176.300 0.018 0.000 1.087 723 R CA -0.311 55.800 56.100 0.017 0.000 0.948 723 R CB 0.503 30.811 30.300 0.014 0.000 1.099 723 R HN 0.472 nan 8.270 nan 0.000 0.483 724 S N 3.848 119.559 115.700 0.019 0.000 2.576 724 S HA 0.188 4.658 4.470 0.001 0.000 0.276 724 S C -1.858 172.754 174.600 0.020 0.000 1.339 724 S CA -1.025 57.187 58.200 0.019 0.000 1.039 724 S CB 0.606 63.817 63.200 0.019 0.000 0.902 724 S HN 0.379 nan 8.310 nan 0.000 0.516 725 P HA 0.120 nan 4.420 nan 0.000 0.268 725 P C -0.215 177.099 177.300 0.023 0.000 1.205 725 P CA -0.281 62.834 63.100 0.024 0.000 0.771 725 P CB 0.370 32.089 31.700 0.031 0.000 0.858 726 R N 4.000 124.513 120.500 0.021 0.000 2.585 726 R HA 0.091 4.431 4.340 0.001 0.000 0.275 726 R C -1.928 174.385 176.300 0.022 0.000 1.018 726 R CA -1.084 55.028 56.100 0.020 0.000 1.072 726 R CB -0.497 29.814 30.300 0.018 0.000 0.953 726 R HN 0.361 nan 8.270 nan 0.000 0.419 727 P HA -0.007 nan 4.420 nan 0.000 0.264 727 P C -1.432 175.882 177.300 0.023 0.000 1.183 727 P CA 0.268 63.383 63.100 0.023 0.000 0.763 727 P CB 0.984 32.697 31.700 0.022 0.000 0.807 728 A N 2.499 125.334 122.820 0.026 0.000 2.355 728 A HA 0.591 4.912 4.320 0.001 0.000 0.324 728 A C -0.089 177.508 177.584 0.022 0.000 1.117 728 A CA -0.460 51.591 52.037 0.023 0.000 0.785 728 A CB 0.707 19.722 19.000 0.025 0.000 1.254 728 A HN 0.433 nan 8.150 nan 0.000 0.453 729 T N 4.618 119.182 114.554 0.018 0.000 2.851 729 T HA 0.414 4.765 4.350 0.001 0.000 0.298 729 T C -2.191 172.518 174.700 0.015 0.000 0.977 729 T CA -0.337 61.773 62.100 0.016 0.000 1.126 729 T CB 0.322 69.198 68.868 0.014 0.000 0.916 729 T HN 0.552 nan 8.240 nan 0.000 0.529 730 P HA 0.148 nan 4.420 nan 0.000 0.267 730 P C -0.639 176.665 177.300 0.006 0.000 1.200 730 P CA -0.131 62.975 63.100 0.010 0.000 0.772 730 P CB 0.568 32.275 31.700 0.011 0.000 0.855 731 L N 1.696 122.920 121.223 0.001 0.000 2.334 731 L HA 0.397 4.737 4.340 0.001 0.000 0.272 731 L C 0.792 177.660 176.870 -0.003 0.000 1.020 731 L CA -1.008 53.832 54.840 -0.001 0.000 0.812 731 L CB 0.761 42.819 42.059 -0.003 0.000 1.264 731 L HN 0.232 nan 8.230 nan 0.000 0.439 732 D N 0.741 121.140 120.400 -0.002 0.000 2.344 732 D HA 0.491 5.131 4.640 0.001 0.000 0.244 732 D C 0.544 176.840 176.300 -0.007 0.000 1.134 732 D CA 0.883 54.880 54.000 -0.004 0.000 0.930 732 D CB 1.456 42.255 40.800 -0.002 0.000 1.175 732 D HN 0.773 nan 8.370 nan 0.000 0.437 733 G N -0.288 108.507 108.800 -0.008 0.000 2.587 733 G HA2 0.166 4.126 3.960 0.001 0.000 0.212 733 G HA3 0.166 4.126 3.960 0.001 0.000 0.212 733 G C -0.336 174.554 174.900 -0.015 0.000 1.327 733 G CA -0.259 44.835 45.100 -0.010 0.000 0.898 733 G HN 0.735 nan 8.290 nan 0.000 0.551 734 A N -0.424 122.386 122.820 -0.015 0.000 2.477 734 A HA 0.588 4.908 4.320 0.001 0.000 0.246 734 A C 0.881 178.446 177.584 -0.032 0.000 1.078 734 A CA 0.334 52.359 52.037 -0.020 0.000 0.770 734 A CB -0.114 18.878 19.000 -0.014 0.000 1.011 734 A HN 1.300 nan 8.150 nan 0.000 0.494 735 L N 3.824 125.021 121.223 -0.043 0.000 2.395 735 L HA 0.335 4.675 4.340 0.001 0.000 0.269 735 L C -1.549 175.277 176.870 -0.074 0.000 1.133 735 L CA -1.659 53.135 54.840 -0.078 0.000 0.812 735 L CB 0.283 42.284 42.059 -0.096 0.000 1.125 735 L HN 0.574 nan 8.230 nan 0.000 0.452 736 P HA 0.033 nan 4.420 nan 0.000 0.271 736 P C 0.454 177.734 177.300 -0.032 0.000 1.218 736 P CA -0.310 62.749 63.100 -0.069 0.000 0.780 736 P CB 1.652 33.296 31.700 -0.093 0.000 0.901 737 V N 1.059 120.992 119.914 0.032 0.000 2.725 737 V HA -0.013 4.108 4.120 0.001 0.000 0.247 737 V C 1.228 177.412 176.094 0.151 0.000 1.058 737 V CA 1.839 64.189 62.300 0.083 0.000 1.080 737 V CB -0.128 31.722 31.823 0.045 0.000 0.713 737 V HN 0.871 nan 8.190 nan 0.000 0.465 738 S N -0.394 115.382 115.700 0.125 0.000 2.541 738 S HA 0.739 5.210 4.470 0.001 0.000 0.271 738 S C -1.293 173.388 174.600 0.136 0.000 1.133 738 S CA -0.644 57.642 58.200 0.143 0.000 0.876 738 S CB 2.130 65.369 63.200 0.065 0.000 1.105 738 S HN 0.061 nan 8.310 nan 0.000 0.470 739 L N 2.972 124.302 121.223 0.179 0.000 2.457 739 L HA 0.634 4.975 4.340 0.001 0.000 0.266 739 L C 1.115 178.066 176.870 0.135 0.000 0.979 739 L CA -0.151 54.785 54.840 0.160 0.000 0.857 739 L CB 0.956 43.152 42.059 0.228 0.000 1.213 739 L HN 1.277 nan 8.230 nan 0.000 0.418 740 G N 4.419 113.270 108.800 0.086 0.000 2.651 740 G HA2 -0.299 3.662 3.960 0.001 0.000 0.315 740 G HA3 -0.299 3.662 3.960 0.001 0.000 0.315 740 G C -1.265 173.658 174.900 0.038 0.000 1.258 740 G CA 0.434 45.569 45.100 0.058 0.000 1.002 740 G HN 0.562 nan 8.290 nan 0.000 0.551 741 P HA 0.400 nan 4.420 nan 0.000 0.245 741 P C 0.398 177.684 177.300 -0.024 0.000 1.212 741 P CA 1.458 64.555 63.100 -0.005 0.000 0.774 741 P CB -0.042 31.635 31.700 -0.039 0.000 0.999 742 A N -0.035 122.768 122.820 -0.028 0.000 2.301 742 A HA 0.583 4.904 4.320 0.001 0.000 0.312 742 A C -0.011 177.415 177.584 -0.264 0.000 1.182 742 A CA -0.134 51.783 52.037 -0.199 0.000 0.826 742 A CB 0.508 19.338 19.000 -0.283 0.000 1.134 742 A HN -0.009 nan 8.150 nan 0.000 0.501 743 T N 2.090 116.412 114.554 -0.387 0.000 2.855 743 T HA 0.656 5.007 4.350 0.001 0.000 0.281 743 T C -0.924 173.454 174.700 -0.537 0.000 1.007 743 T CA 0.116 62.045 62.100 -0.285 0.000 1.009 743 T CB 0.488 69.283 68.868 -0.121 0.000 0.983 743 T HN 0.363 nan 8.240 nan 0.000 0.455 744 F N 1.192 121.074 119.950 -0.114 0.000 2.546 744 F HA 0.423 4.950 4.527 0.001 0.000 0.320 744 F C 0.421 176.177 175.800 -0.074 0.000 1.076 744 F CA -1.077 56.848 58.000 -0.126 0.000 0.928 744 F CB 1.559 40.448 39.000 -0.185 0.000 1.189 744 F HN 0.420 nan 8.300 nan 0.000 0.465 745 D N 2.283 122.756 120.400 0.121 0.000 2.461 745 D HA 0.393 5.034 4.640 0.001 0.000 0.240 745 D C -0.097 176.243 176.300 0.067 0.000 1.094 745 D CA 0.001 54.043 54.000 0.069 0.000 0.868 745 D CB 1.305 42.127 40.800 0.036 0.000 1.062 745 D HN 0.848 nan 8.370 nan 0.000 0.530 746 A N 3.059 125.908 122.820 0.049 0.000 2.560 746 A HA -0.072 4.249 4.320 0.001 0.000 0.299 746 A C 1.426 179.021 177.584 0.019 0.000 1.484 746 A CA 1.673 53.723 52.037 0.021 0.000 0.749 746 A CB -1.957 17.052 19.000 0.015 0.000 1.072 746 A HN 1.462 nan 8.150 nan 0.000 0.426 747 G N -2.486 106.322 108.800 0.013 0.000 2.225 747 G HA2 -0.080 3.880 3.960 0.001 0.000 0.254 747 G HA3 -0.080 3.880 3.960 0.001 0.000 0.254 747 G C 0.412 175.390 174.900 0.130 0.000 0.988 747 G CA 0.784 45.869 45.100 -0.024 0.000 0.625 747 G HN 1.868 nan 8.290 nan 0.000 0.527 748 T N 1.732 116.389 114.554 0.172 0.000 2.767 748 T HA 0.550 4.900 4.350 0.001 0.000 0.288 748 T C 0.190 174.979 174.700 0.149 0.000 0.963 748 T CA -0.359 61.837 62.100 0.159 0.000 1.019 748 T CB 1.895 70.811 68.868 0.080 0.000 0.923 748 T HN 0.592 nan 8.240 nan 0.000 0.468 749 L N 5.860 127.125 121.223 0.071 0.000 2.499 749 L HA 0.196 4.536 4.340 0.001 0.000 0.273 749 L C 1.049 177.837 176.870 -0.137 0.000 1.195 749 L CA 0.624 55.292 54.840 -0.286 0.000 0.882 749 L CB 0.549 42.501 42.059 -0.179 0.000 1.133 749 L HN 0.586 nan 8.230 nan 0.000 0.483 750 V N 0.522 120.315 119.914 -0.202 0.000 3.539 750 V HA 0.479 4.600 4.120 0.001 0.000 0.262 750 V C 0.383 176.441 176.094 -0.059 0.000 1.381 750 V CA 0.729 62.981 62.300 -0.080 0.000 1.060 750 V CB -0.150 31.642 31.823 -0.051 0.000 0.842 750 V HN 0.856 nan 8.190 nan 0.000 0.445 751 S N -0.159 115.472 115.700 -0.114 0.000 2.570 751 S HA 0.825 5.296 4.470 0.001 0.000 0.270 751 S C -1.405 173.172 174.600 -0.039 0.000 1.149 751 S CA -0.699 57.481 58.200 -0.032 0.000 0.837 751 S CB 2.249 65.439 63.200 -0.017 0.000 1.124 751 S HN 0.306 nan 8.310 nan 0.000 0.465 752 L N 1.547 122.826 121.223 0.093 0.000 2.438 752 L HA 0.748 5.089 4.340 0.001 0.000 0.270 752 L C 0.441 177.430 176.870 0.199 0.000 0.972 752 L CA -0.484 54.401 54.840 0.075 0.000 0.831 752 L CB 1.828 43.899 42.059 0.020 0.000 1.273 752 L HN 1.415 nan 8.230 nan 0.000 0.405 753 A N 2.680 125.551 122.820 0.086 0.000 2.560 753 A HA -0.018 4.302 4.320 0.001 0.000 0.299 753 A C 1.328 179.093 177.584 0.301 0.000 1.484 753 A CA 1.181 53.297 52.037 0.132 0.000 0.749 753 A CB -1.815 17.166 19.000 -0.032 0.000 1.072 753 A HN 1.854 nan 8.150 nan 0.000 0.426 754 G N -2.388 106.514 108.800 0.170 0.000 2.162 754 G HA2 -0.194 3.766 3.960 0.001 0.000 0.260 754 G HA3 -0.194 3.766 3.960 0.001 0.000 0.260 754 G C -0.106 174.836 174.900 0.069 0.000 0.976 754 G CA 0.939 46.103 45.100 0.106 0.000 0.655 754 G HN 1.427 nan 8.290 nan 0.000 0.533 755 Q N 0.019 119.891 119.800 0.118 0.000 2.365 755 Q HA 0.469 4.809 4.340 0.001 0.000 0.269 755 Q C -2.657 173.356 176.000 0.021 0.000 1.061 755 Q CA -2.007 53.772 55.803 -0.040 0.000 0.816 755 Q CB 2.786 31.311 28.738 -0.355 0.000 1.325 755 Q HN 0.266 nan 8.270 nan 0.000 0.446 756 P HA 0.166 nan 4.420 nan 0.000 0.271 756 P C -0.660 176.671 177.300 0.053 0.000 1.226 756 P CA -0.019 63.087 63.100 0.011 0.000 0.765 756 P CB 0.788 32.486 31.700 -0.004 0.000 0.835 757 V N 3.058 123.025 119.914 0.087 0.000 2.841 757 V HA 0.368 4.488 4.120 0.001 0.000 0.310 757 V C -0.015 176.157 176.094 0.129 0.000 1.090 757 V CA -0.452 61.937 62.300 0.149 0.000 0.930 757 V CB 2.402 34.370 31.823 0.243 0.000 1.014 757 V HN 0.491 nan 8.190 nan 0.000 0.425 758 S N 1.661 117.439 115.700 0.130 0.000 2.532 758 S HA 0.992 5.463 4.470 0.001 0.000 0.301 758 S C 0.198 174.891 174.600 0.156 0.000 1.083 758 S CA 0.079 58.340 58.200 0.103 0.000 1.025 758 S CB 1.803 65.016 63.200 0.022 0.000 1.056 758 S HN 1.647 nan 8.310 nan 0.000 0.494 759 G N 2.214 111.071 108.800 0.095 0.000 2.347 759 G HA2 0.160 4.120 3.960 0.001 0.000 0.341 759 G HA3 0.160 4.120 3.960 0.001 0.000 0.341 759 G C -3.592 171.230 174.900 -0.129 0.000 1.287 759 G CA -1.009 44.020 45.100 -0.118 0.000 0.984 759 G HN 0.518 nan 8.290 nan 0.000 0.526 760 P HA 0.466 nan 4.420 nan 0.000 0.278 760 P C -0.722 176.350 177.300 -0.381 0.000 1.238 760 P CA -0.294 62.221 63.100 -0.974 0.000 0.794 760 P CB 1.346 32.384 31.700 -1.103 0.000 0.955 761 R N 2.444 122.734 120.500 -0.350 0.000 2.437 761 R HA 0.394 4.734 4.340 0.001 0.000 0.310 761 R C -0.446 175.701 176.300 -0.256 0.000 0.955 761 R CA -1.154 54.872 56.100 -0.123 0.000 0.851 761 R CB 0.885 31.144 30.300 -0.068 0.000 1.161 761 R HN 0.405 nan 8.270 nan 0.000 0.446 762 L N 3.187 124.132 121.223 -0.464 0.000 2.525 762 L HA 0.101 4.442 4.340 0.001 0.000 0.278 762 L C -0.573 176.016 176.870 -0.468 0.000 1.218 762 L CA 0.884 55.316 54.840 -0.681 0.000 0.878 762 L CB 0.591 41.850 42.059 -1.334 0.000 1.127 762 L HN 0.618 nan 8.230 nan 0.000 0.492 763 E N 3.483 123.502 120.200 -0.302 0.000 2.256 763 E HA 0.384 4.735 4.350 0.001 0.000 0.268 763 E C -0.383 176.052 176.600 -0.275 0.000 0.877 763 E CA -0.332 55.957 56.400 -0.185 0.000 0.757 763 E CB 1.303 31.042 29.700 0.064 0.000 1.183 763 E HN 0.648 nan 8.360 nan 0.000 0.418 764 L N 2.525 123.537 121.223 -0.351 0.000 2.609 764 L HA 0.341 4.682 4.340 0.001 0.000 0.230 764 L C 0.720 177.346 176.870 -0.405 0.000 1.087 764 L CA -0.358 54.157 54.840 -0.542 0.000 0.874 764 L CB 0.224 41.723 42.059 -0.933 0.000 1.114 764 L HN 0.431 nan 8.230 nan 0.000 0.488 765 W N 3.898 124.948 121.300 -0.416 0.000 2.218 765 W HA 0.315 4.976 4.660 0.001 0.000 0.326 765 W C -0.089 176.218 176.519 -0.352 0.000 1.276 765 W CA -0.181 56.936 57.345 -0.380 0.000 1.210 765 W CB 0.880 30.209 29.460 -0.218 0.000 1.143 765 W HN 0.063 nan 8.180 nan 0.000 0.563 766 R N 4.037 123.921 120.500 -1.027 0.000 2.807 766 R HA 0.685 5.025 4.340 0.001 0.000 0.276 766 R C -1.142 174.435 176.300 -1.206 0.000 0.979 766 R CA -0.869 54.704 56.100 -0.877 0.000 0.928 766 R CB 1.336 31.290 30.300 -0.578 0.000 1.191 766 R HN 0.428 nan 8.270 nan 0.000 0.471 767 A N 3.705 126.149 122.820 -0.627 0.000 2.505 767 A HA 0.263 4.583 4.320 0.001 0.000 0.271 767 A C -2.083 175.311 177.584 -0.317 0.000 1.112 767 A CA -1.179 50.644 52.037 -0.357 0.000 0.781 767 A CB -0.523 18.413 19.000 -0.107 0.000 1.059 767 A HN 0.531 nan 8.150 nan 0.000 0.508 768 P HA 0.078 nan 4.420 nan 0.000 0.262 768 P C 0.744 177.967 177.300 -0.129 0.000 1.182 768 P CA 0.395 63.429 63.100 -0.110 0.000 0.761 768 P CB 0.515 32.194 31.700 -0.035 0.000 0.795 769 T N -0.566 113.903 114.554 -0.142 0.000 2.766 769 T HA 0.058 4.409 4.350 0.001 0.000 0.295 769 T C 1.012 175.583 174.700 -0.214 0.000 1.024 769 T CA -0.334 61.633 62.100 -0.223 0.000 1.018 769 T CB 0.394 69.102 68.868 -0.267 0.000 1.002 769 T HN 0.280 nan 8.240 nan 0.000 0.532 770 D N 0.814 121.050 120.400 -0.273 0.000 2.123 770 D HA -0.126 4.514 4.640 0.001 0.000 0.196 770 D C 1.927 178.100 176.300 -0.212 0.000 0.992 770 D CA 1.147 54.982 54.000 -0.275 0.000 0.833 770 D CB -0.253 40.334 40.800 -0.355 0.000 0.954 770 D HN 0.508 nan 8.370 nan 0.000 0.455 771 N N 1.196 119.780 118.700 -0.192 0.000 2.166 771 N HA -0.118 4.622 4.740 0.001 0.000 0.186 771 N C 1.211 176.640 175.510 -0.135 0.000 1.019 771 N CA 0.741 53.705 53.050 -0.144 0.000 0.856 771 N CB -0.285 38.122 38.487 -0.133 0.000 0.993 771 N HN 0.221 nan 8.380 nan 0.000 0.426 772 D N 0.654 120.969 120.400 -0.141 0.000 2.263 772 D HA -0.086 4.555 4.640 0.001 0.000 0.208 772 D C 1.492 177.640 176.300 -0.253 0.000 0.971 772 D CA 0.728 54.606 54.000 -0.203 0.000 0.867 772 D CB -0.019 40.704 40.800 -0.129 0.000 0.929 772 D HN 0.327 nan 8.370 nan 0.000 0.492 773 R N 0.042 120.441 120.500 -0.168 0.000 2.300 773 R HA 0.217 4.557 4.340 0.001 0.000 0.199 773 R C 1.230 177.481 176.300 -0.081 0.000 0.920 773 R CA -0.002 56.024 56.100 -0.123 0.000 1.046 773 R CB 0.542 30.786 30.300 -0.092 0.000 0.984 773 R HN -0.053 nan 8.270 nan 0.000 0.493 774 G N -0.176 108.574 108.800 -0.084 0.000 2.444 774 G HA2 0.410 4.370 3.960 0.001 0.000 0.268 774 G HA3 0.410 4.370 3.960 0.001 0.000 0.268 774 G C 0.080 174.942 174.900 -0.063 0.000 1.203 774 G CA -0.122 44.953 45.100 -0.041 0.000 0.835 774 G HN 0.234 nan 8.290 nan 0.000 0.543 775 A N 0.977 123.770 122.820 -0.045 0.000 2.596 775 A HA 0.548 4.869 4.320 0.001 0.000 0.276 775 A C 1.586 179.143 177.584 -0.045 0.000 0.962 775 A CA 0.906 52.911 52.037 -0.055 0.000 1.010 775 A CB 0.072 19.034 19.000 -0.064 0.000 1.220 775 A HN 0.984 nan 8.150 nan 0.000 0.549 776 G N 0.190 108.973 108.800 -0.028 0.000 2.496 776 G HA2 0.182 4.142 3.960 0.001 0.000 0.214 776 G HA3 0.182 4.142 3.960 0.001 0.000 0.214 776 G C 0.565 175.469 174.900 0.006 0.000 1.234 776 G CA 0.279 45.364 45.100 -0.024 0.000 0.807 776 G HN 0.329 nan 8.290 nan 0.000 0.543 777 F N 1.583 121.455 119.950 -0.131 0.000 2.589 777 F HA 0.377 4.905 4.527 0.001 0.000 0.352 777 F C 1.600 177.307 175.800 -0.154 0.000 1.168 777 F CA 0.046 57.964 58.000 -0.137 0.000 1.353 777 F CB 0.615 39.516 39.000 -0.164 0.000 1.116 777 F HN 0.254 nan 8.300 nan 0.000 0.608 778 G N 0.844 109.621 108.800 -0.038 0.000 2.634 778 G HA2 0.458 4.418 3.960 0.001 0.000 0.255 778 G HA3 0.458 4.418 3.960 0.001 0.000 0.255 778 G C -0.919 173.911 174.900 -0.117 0.000 1.205 778 G CA -0.401 44.657 45.100 -0.070 0.000 0.884 778 G HN 0.885 nan 8.290 nan 0.000 0.549 779 A N -0.678 122.085 122.820 -0.095 0.000 2.371 779 A HA 0.493 4.814 4.320 0.001 0.000 0.257 779 A C 0.337 177.892 177.584 -0.049 0.000 1.089 779 A CA -0.418 51.565 52.037 -0.091 0.000 0.794 779 A CB 0.413 19.392 19.000 -0.035 0.000 1.029 779 A HN 0.786 nan 8.150 nan 0.000 0.488 780 Y N 1.511 121.823 120.300 0.020 0.000 2.517 780 Y HA 0.023 4.574 4.550 0.001 0.000 0.281 780 Y C 2.414 178.278 175.900 -0.060 0.000 1.125 780 Y CA 0.306 58.386 58.100 -0.032 0.000 1.283 780 Y CB 0.146 38.556 38.460 -0.083 0.000 1.042 780 Y HN 0.888 nan 8.280 nan 0.000 0.547 781 G N 1.964 110.836 108.800 0.119 0.000 2.553 781 G HA2 -0.277 3.684 3.960 0.001 0.000 0.218 781 G HA3 -0.277 3.684 3.960 0.001 0.000 0.218 781 G C -0.596 174.319 174.900 0.025 0.000 1.195 781 G CA 0.940 46.069 45.100 0.048 0.000 0.779 781 G HN 0.314 nan 8.290 nan 0.000 0.577 782 P HA 0.269 nan 4.420 nan 0.000 0.242 782 P C 0.469 177.782 177.300 0.021 0.000 1.197 782 P CA 1.039 64.150 63.100 0.019 0.000 0.765 782 P CB 0.344 32.054 31.700 0.017 0.000 0.936 783 G N -1.006 107.813 108.800 0.032 0.000 2.649 783 G HA2 0.261 4.222 3.960 0.001 0.000 0.290 783 G HA3 0.261 4.222 3.960 0.001 0.000 0.290 783 G C -1.860 173.050 174.900 0.016 0.000 1.426 783 G CA -0.451 44.666 45.100 0.030 0.000 0.794 783 G HN -0.182 nan 8.290 nan 0.000 0.483 784 D N 0.880 121.293 120.400 0.022 0.000 2.412 784 D HA 0.149 4.789 4.640 0.001 0.000 0.257 784 D C -0.685 175.633 176.300 0.030 0.000 1.217 784 D CA -1.668 52.346 54.000 0.023 0.000 0.897 784 D CB 1.679 42.518 40.800 0.065 0.000 1.132 784 D HN 0.029 nan 8.370 nan 0.000 0.493 785 P HA -0.112 nan 4.420 nan 0.000 0.222 785 P C 1.045 178.279 177.300 -0.110 0.000 1.147 785 P CA 0.830 63.736 63.100 -0.325 0.000 0.790 785 P CB -0.016 30.979 31.700 -1.176 0.000 0.780 786 W N 0.005 121.303 121.300 -0.004 0.000 2.800 786 W HA 0.125 4.785 4.660 0.001 0.000 0.249 786 W C 1.266 177.837 176.519 0.086 0.000 1.294 786 W CA 0.027 57.429 57.345 0.095 0.000 1.402 786 W CB -0.576 28.938 29.460 0.090 0.000 1.126 786 W HN -0.140 nan 8.180 nan 0.000 0.652 787 L N 0.870 122.230 121.223 0.228 0.000 2.468 787 L HA 0.097 4.437 4.340 0.001 0.000 0.254 787 L C 1.246 178.194 176.870 0.130 0.000 1.171 787 L CA -0.599 54.338 54.840 0.161 0.000 0.809 787 L CB 0.015 42.144 42.059 0.116 0.000 1.155 787 L HN -0.070 nan 8.230 nan 0.000 0.473 788 N N 0.479 119.236 118.700 0.095 0.000 2.735 788 N HA -0.232 4.508 4.740 0.001 0.000 0.248 788 N C 0.061 175.610 175.510 0.065 0.000 1.083 788 N CA 0.918 54.007 53.050 0.064 0.000 0.703 788 N CB -0.867 37.651 38.487 0.051 0.000 1.005 788 N HN 0.722 nan 8.380 nan 0.000 0.550 789 S N -2.336 113.413 115.700 0.082 0.000 3.533 789 S HA -0.147 4.324 4.470 0.001 0.000 0.347 789 S C 1.349 176.017 174.600 0.112 0.000 1.101 789 S CA 1.604 59.852 58.200 0.079 0.000 1.009 789 S CB -2.045 61.180 63.200 0.042 0.000 0.916 789 S HN 1.912 nan 8.310 nan 0.000 0.496 790 G N 0.603 109.493 108.800 0.149 0.000 2.203 790 G HA2 -0.389 3.571 3.960 0.001 0.000 0.263 790 G HA3 -0.389 3.571 3.960 0.001 0.000 0.263 790 G C 0.534 175.699 174.900 0.442 0.000 1.012 790 G CA 0.780 46.051 45.100 0.285 0.000 0.749 790 G HN 0.704 nan 8.290 nan 0.000 0.512 791 R N 0.082 120.703 120.500 0.201 0.000 2.310 791 R HA 0.412 4.752 4.340 0.001 0.000 0.202 791 R C 1.850 178.146 176.300 -0.007 0.000 0.933 791 R CA 0.581 56.663 56.100 -0.030 0.000 1.054 791 R CB 0.033 30.178 30.300 -0.259 0.000 0.985 791 R HN 1.356 nan 8.270 nan 0.000 0.489 792 G N 0.605 109.486 108.800 0.135 0.000 2.645 792 G HA2 -0.283 3.678 3.960 0.001 0.000 0.239 792 G HA3 -0.283 3.678 3.960 0.001 0.000 0.239 792 G C -0.621 174.295 174.900 0.026 0.000 1.331 792 G CA -0.512 44.636 45.100 0.080 0.000 0.890 792 G HN 0.060 nan 8.290 nan 0.000 0.572 793 V N 2.268 122.185 119.914 0.006 0.000 2.409 793 V HA 0.514 4.635 4.120 0.001 0.000 0.291 793 V C -1.857 174.219 176.094 -0.031 0.000 1.020 793 V CA -1.062 61.235 62.300 -0.005 0.000 0.848 793 V CB 1.919 33.749 31.823 0.012 0.000 0.990 793 V HN 0.676 nan 8.190 nan 0.000 0.430 794 P HA 0.278 nan 4.420 nan 0.000 0.261 794 P C -0.450 176.826 177.300 -0.040 0.000 1.173 794 P CA 0.632 63.702 63.100 -0.050 0.000 0.760 794 P CB 0.475 32.146 31.700 -0.049 0.000 0.783 795 A N 3.965 126.757 122.820 -0.047 0.000 2.597 795 A HA 0.653 4.973 4.320 0.001 0.000 0.292 795 A C -2.883 174.667 177.584 -0.057 0.000 1.057 795 A CA -1.156 50.853 52.037 -0.045 0.000 0.674 795 A CB 0.079 19.053 19.000 -0.044 0.000 1.278 795 A HN 0.283 nan 8.150 nan 0.000 0.416 796 P HA 0.348 nan 4.420 nan 0.000 0.271 796 P C 0.401 177.637 177.300 -0.108 0.000 1.244 796 P CA -0.031 63.027 63.100 -0.071 0.000 0.793 796 P CB 0.415 32.079 31.700 -0.059 0.000 0.984 797 S N -0.463 115.162 115.700 -0.124 0.000 2.576 797 S HA 0.042 4.512 4.470 0.001 0.000 0.272 797 S C 1.246 175.655 174.600 -0.318 0.000 1.352 797 S CA 0.004 58.092 58.200 -0.187 0.000 1.021 797 S CB 0.075 63.178 63.200 -0.161 0.000 0.887 797 S HN 0.337 nan 8.310 nan 0.000 0.542 798 S N 0.722 116.125 115.700 -0.494 0.000 2.370 798 S HA -0.161 4.310 4.470 0.001 0.000 0.226 798 S C 1.797 175.606 174.600 -1.318 0.000 1.033 798 S CA 1.372 58.962 58.200 -1.016 0.000 1.011 798 S CB -0.637 61.801 63.200 -1.270 0.000 0.852 798 S HN 0.897 nan 8.310 nan 0.000 0.457 799 E N 1.364 121.092 120.200 -0.786 0.000 2.085 799 E HA -0.193 4.157 4.350 0.001 0.000 0.194 799 E C 2.162 178.732 176.600 -0.050 0.000 0.994 799 E CA 1.130 57.360 56.400 -0.283 0.000 0.801 799 E CB -0.273 29.381 29.700 -0.077 0.000 0.743 799 E HN 0.475 nan 8.360 nan 0.000 0.453 800 A N 1.132 123.888 122.820 -0.106 0.000 1.883 800 A HA -0.179 4.142 4.320 0.001 0.000 0.217 800 A C 2.481 180.076 177.584 0.020 0.000 1.186 800 A CA 2.122 54.148 52.037 -0.017 0.000 0.624 800 A CB -1.063 17.912 19.000 -0.042 0.000 0.822 800 A HN 0.361 nan 8.150 nan 0.000 0.444 801 V N -4.027 115.851 119.914 -0.061 0.000 2.427 801 V HA -0.171 3.949 4.120 0.001 0.000 0.248 801 V C 2.172 178.420 176.094 0.256 0.000 1.051 801 V CA 1.463 63.790 62.300 0.045 0.000 1.048 801 V CB -1.177 30.645 31.823 -0.002 0.000 0.666 801 V HN 0.640 nan 8.190 nan 0.000 0.456 802 W N 0.984 122.389 121.300 0.176 0.000 2.355 802 W HA 0.051 4.712 4.660 0.001 0.000 0.309 802 W C 2.606 179.289 176.519 0.274 0.000 1.206 802 W CA 1.312 58.815 57.345 0.264 0.000 1.284 802 W CB -1.018 28.634 29.460 0.321 0.000 1.145 802 W HN 0.255 nan 8.180 nan 0.000 0.502 803 K N 0.424 121.106 120.400 0.469 0.000 2.057 803 K HA -0.202 4.119 4.320 0.001 0.000 0.207 803 K C 1.885 178.585 176.600 0.166 0.000 1.049 803 K CA 1.379 57.813 56.287 0.246 0.000 0.931 803 K CB -0.950 31.663 32.500 0.188 0.000 0.714 803 K HN 0.334 nan 8.250 nan 0.000 0.440 804 Q N 0.445 120.346 119.800 0.169 0.000 2.135 804 Q HA -0.120 4.221 4.340 0.001 0.000 0.204 804 Q C 1.674 177.766 176.000 0.154 0.000 0.981 804 Q CA 1.669 57.550 55.803 0.130 0.000 0.856 804 Q CB -0.045 28.759 28.738 0.111 0.000 0.902 804 Q HN 0.291 nan 8.270 nan 0.000 0.425 805 A N -0.418 122.541 122.820 0.233 0.000 2.206 805 A HA 0.218 4.538 4.320 0.001 0.000 0.211 805 A C 1.437 179.172 177.584 0.251 0.000 1.158 805 A CA 0.911 53.116 52.037 0.280 0.000 0.761 805 A CB -0.441 18.818 19.000 0.432 0.000 0.801 805 A HN 0.648 nan 8.150 nan 0.000 0.473 806 G N -0.809 108.096 108.800 0.175 0.000 2.147 806 G HA2 -0.266 3.695 3.960 0.001 0.000 0.244 806 G HA3 -0.266 3.695 3.960 0.001 0.000 0.244 806 G C 0.713 175.657 174.900 0.072 0.000 1.005 806 G CA 0.444 45.598 45.100 0.090 0.000 0.713 806 G HN 0.446 nan 8.290 nan 0.000 0.515 807 L N 0.542 121.845 121.223 0.133 0.000 2.265 807 L HA -0.018 4.322 4.340 0.001 0.000 0.215 807 L C 2.628 179.466 176.870 -0.054 0.000 1.117 807 L CA 1.678 56.565 54.840 0.079 0.000 0.782 807 L CB -0.348 41.788 42.059 0.128 0.000 0.914 807 L HN 0.529 nan 8.230 nan 0.000 0.441 808 D N 1.034 121.209 120.400 -0.374 0.000 2.347 808 D HA -0.172 4.469 4.640 0.001 0.000 0.215 808 D C 1.160 177.174 176.300 -0.476 0.000 0.976 808 D CA 0.437 53.870 54.000 -0.946 0.000 0.884 808 D CB -0.015 39.761 40.800 -1.706 0.000 0.915 808 D HN 0.488 nan 8.370 nan 0.000 0.526 809 R N 0.462 120.817 120.500 -0.241 0.000 2.734 809 R HA 0.357 4.697 4.340 0.001 0.000 0.395 809 R C -0.156 176.120 176.300 -0.039 0.000 1.096 809 R CA -0.584 55.436 56.100 -0.133 0.000 1.071 809 R CB -0.444 29.786 30.300 -0.116 0.000 1.348 809 R HN -0.047 nan 8.270 nan 0.000 0.600 810 L N 2.103 123.321 121.223 -0.008 0.000 2.490 810 L HA 0.123 4.463 4.340 0.001 0.000 0.274 810 L C 0.738 177.661 176.870 0.088 0.000 1.201 810 L CA 0.368 55.257 54.840 0.081 0.000 0.869 810 L CB 0.670 42.799 42.059 0.116 0.000 1.123 810 L HN 0.367 nan 8.230 nan 0.000 0.484 811 T N 0.942 115.539 114.554 0.072 0.000 2.925 811 T HA 0.488 4.839 4.350 0.001 0.000 0.285 811 T C -0.331 174.297 174.700 -0.120 0.000 1.021 811 T CA -1.018 61.080 62.100 -0.003 0.000 1.042 811 T CB 2.006 70.861 68.868 -0.023 0.000 1.037 811 T HN 0.628 nan 8.240 nan 0.000 0.481 812 R N 1.367 121.720 120.500 -0.244 0.000 2.338 812 R HA 0.537 4.877 4.340 0.001 0.000 0.317 812 R C -0.576 175.520 176.300 -0.339 0.000 0.968 812 R CA -0.844 54.898 56.100 -0.597 0.000 0.849 812 R CB 1.013 31.005 30.300 -0.513 0.000 1.128 812 R HN 0.806 nan 8.270 nan 0.000 0.448 813 R N 4.156 124.457 120.500 -0.332 0.000 2.393 813 R HA 0.292 4.633 4.340 0.001 0.000 0.315 813 R C -1.243 174.973 176.300 -0.141 0.000 0.952 813 R CA -0.630 55.367 56.100 -0.171 0.000 0.842 813 R CB 1.737 31.973 30.300 -0.106 0.000 1.163 813 R HN 0.401 nan 8.270 nan 0.000 0.450 814 V N 5.366 125.227 119.914 -0.090 0.000 2.470 814 V HA 0.034 4.155 4.120 0.001 0.000 0.276 814 V C 0.943 177.020 176.094 -0.027 0.000 1.040 814 V CA 0.244 62.514 62.300 -0.049 0.000 1.008 814 V CB 1.228 33.035 31.823 -0.026 0.000 0.990 814 V HN 0.942 nan 8.190 nan 0.000 0.477 815 E N 2.986 123.179 120.200 -0.012 0.000 2.030 815 E HA 0.021 4.371 4.350 0.001 0.000 0.189 815 E C -0.187 176.417 176.600 0.006 0.000 0.974 815 E CA 1.235 57.635 56.400 0.001 0.000 0.807 815 E CB 0.300 30.008 29.700 0.014 0.000 0.771 815 E HN 1.021 nan 8.360 nan 0.000 0.451 816 D N -1.692 118.716 120.400 0.013 0.000 2.623 816 D HA 0.376 5.016 4.640 0.001 0.000 0.241 816 D C -1.281 175.030 176.300 0.017 0.000 1.241 816 D CA -0.742 53.266 54.000 0.012 0.000 0.788 816 D CB 1.604 42.412 40.800 0.014 0.000 1.413 816 D HN -0.162 nan 8.370 nan 0.000 0.429 817 V N -0.416 119.503 119.914 0.008 0.000 2.709 817 V HA 0.953 5.074 4.120 0.001 0.000 0.308 817 V C -0.592 175.496 176.094 -0.009 0.000 1.062 817 V CA -0.549 61.752 62.300 0.002 0.000 0.901 817 V CB 1.204 33.022 31.823 -0.008 0.000 1.003 817 V HN 1.105 nan 8.190 nan 0.000 0.425 818 A N 2.930 125.742 122.820 -0.014 0.000 2.549 818 A HA 0.952 5.272 4.320 0.001 0.000 0.297 818 A C -0.286 177.278 177.584 -0.033 0.000 1.061 818 A CA -0.197 51.830 52.037 -0.018 0.000 0.690 818 A CB 1.662 20.661 19.000 -0.002 0.000 1.287 818 A HN 1.601 nan 8.150 nan 0.000 0.402 819 A N 1.174 123.971 122.820 -0.037 0.000 2.407 819 A HA 0.637 4.957 4.320 0.001 0.000 0.248 819 A C -0.142 177.430 177.584 -0.020 0.000 1.082 819 A CA 0.130 52.141 52.037 -0.044 0.000 0.785 819 A CB -0.153 18.823 19.000 -0.040 0.000 1.020 819 A HN 0.885 nan 8.150 nan 0.000 0.489 820 L N 1.673 122.886 121.223 -0.016 0.000 2.303 820 L HA 0.448 4.788 4.340 0.001 0.000 0.266 820 L C -2.322 174.550 176.870 0.002 0.000 1.011 820 L CA -2.452 52.390 54.840 0.003 0.000 0.818 820 L CB 1.682 43.754 42.059 0.022 0.000 1.326 820 L HN 0.376 nan 8.230 nan 0.000 0.435 821 P HA 0.004 nan 4.420 nan 0.000 0.261 821 P C -0.885 176.425 177.300 0.017 0.000 1.203 821 P CA 0.277 63.383 63.100 0.011 0.000 0.767 821 P CB 0.074 31.782 31.700 0.014 0.000 0.785 822 D N 1.884 122.292 120.400 0.013 0.000 2.701 822 D HA -0.165 4.476 4.640 0.001 0.000 0.235 822 D C 0.730 177.049 176.300 0.032 0.000 1.155 822 D CA 1.905 55.917 54.000 0.021 0.000 0.649 822 D CB -1.158 39.660 40.800 0.030 0.000 1.050 822 D HN 0.627 nan 8.370 nan 0.000 0.425 823 G N -1.127 107.680 108.800 0.011 0.000 2.490 823 G HA2 0.629 4.590 3.960 0.001 0.000 0.308 823 G HA3 0.629 4.590 3.960 0.001 0.000 0.308 823 G C -1.543 173.326 174.900 -0.053 0.000 1.286 823 G CA -0.486 44.624 45.100 0.018 0.000 0.825 823 G HN 0.268 nan 8.290 nan 0.000 0.479 824 I N -0.315 120.234 120.570 -0.034 0.000 2.722 824 I HA 0.666 4.837 4.170 0.001 0.000 0.292 824 I C -0.837 175.324 176.117 0.073 0.000 1.267 824 I CA -0.933 60.309 61.300 -0.096 0.000 1.036 824 I CB 2.175 39.930 38.000 -0.407 0.000 1.281 824 I HN 0.578 nan 8.210 nan 0.000 0.423 825 R N 6.684 127.216 120.500 0.053 0.000 2.387 825 R HA 0.755 5.095 4.340 0.001 0.000 0.314 825 R C -2.019 174.334 176.300 0.089 0.000 0.958 825 R CA -0.508 55.652 56.100 0.100 0.000 0.846 825 R CB 1.752 32.089 30.300 0.062 0.000 1.147 825 R HN 0.478 nan 8.270 nan 0.000 0.447 826 V N 5.472 125.472 119.914 0.143 0.000 2.448 826 V HA 0.499 4.619 4.120 0.001 0.000 0.295 826 V C -0.170 175.986 176.094 0.103 0.000 1.025 826 V CA -0.797 61.574 62.300 0.118 0.000 0.859 826 V CB 1.711 33.636 31.823 0.170 0.000 0.988 826 V HN 0.750 nan 8.190 nan 0.000 0.431 827 R N 2.810 123.353 120.500 0.071 0.000 2.387 827 R HA 0.743 5.083 4.340 0.001 0.000 0.314 827 R C -0.350 175.981 176.300 0.051 0.000 0.958 827 R CA -0.445 55.695 56.100 0.066 0.000 0.846 827 R CB 2.178 32.510 30.300 0.053 0.000 1.147 827 R HN 0.881 nan 8.270 nan 0.000 0.447 828 T N -0.369 114.224 114.554 0.064 0.000 2.901 828 T HA 0.640 4.990 4.350 0.001 0.000 0.293 828 T C -0.732 173.992 174.700 0.040 0.000 1.084 828 T CA -1.122 60.984 62.100 0.011 0.000 1.008 828 T CB 2.342 71.200 68.868 -0.016 0.000 1.170 828 T HN 0.481 nan 8.240 nan 0.000 0.509 829 R N 0.266 120.730 120.500 -0.059 0.000 2.575 829 R HA 0.605 4.945 4.340 0.001 0.000 0.293 829 R C -2.184 174.061 176.300 -0.092 0.000 0.983 829 R CA -0.711 55.407 56.100 0.029 0.000 0.887 829 R CB 0.984 31.304 30.300 0.034 0.000 1.184 829 R HN 0.794 nan 8.270 nan 0.000 0.445 830 Y N 2.357 122.692 120.300 0.059 0.000 2.377 830 Y HA 0.821 5.371 4.550 0.001 0.000 0.339 830 Y C 0.048 176.014 175.900 0.111 0.000 1.011 830 Y CA -0.304 57.827 58.100 0.051 0.000 1.093 830 Y CB 2.550 41.014 38.460 0.006 0.000 1.201 830 Y HN 0.808 nan 8.280 nan 0.000 0.455 831 A N 1.393 124.347 122.820 0.223 0.000 2.599 831 A HA 0.781 5.101 4.320 0.001 0.000 0.294 831 A C -1.565 176.106 177.584 0.145 0.000 1.055 831 A CA -0.504 51.662 52.037 0.215 0.000 0.683 831 A CB 0.342 19.429 19.000 0.144 0.000 1.278 831 A HN 0.891 nan 8.150 nan 0.000 0.412 832 A N 0.782 123.694 122.820 0.153 0.000 2.322 832 A HA 0.753 5.073 4.320 0.001 0.000 0.269 832 A C 0.829 178.440 177.584 0.045 0.000 1.094 832 A CA 0.225 52.316 52.037 0.091 0.000 0.807 832 A CB 0.161 19.228 19.000 0.110 0.000 1.047 832 A HN 2.549 nan 8.150 nan 0.000 0.487 833 A N 1.110 123.943 122.820 0.021 0.000 2.565 833 A HA 0.376 4.696 4.320 0.001 0.000 0.237 833 A C 0.793 178.377 177.584 -0.000 0.000 1.053 833 A CA 1.106 53.145 52.037 0.004 0.000 0.755 833 A CB -0.445 18.553 19.000 -0.004 0.000 0.980 833 A HN 1.510 nan 8.150 nan 0.000 0.506 834 D N -0.533 119.858 120.400 -0.014 0.000 3.059 834 D HA -0.156 4.485 4.640 0.001 0.000 0.220 834 D C 0.165 176.439 176.300 -0.042 0.000 1.169 834 D CA 1.741 55.725 54.000 -0.025 0.000 0.902 834 D CB -1.131 39.660 40.800 -0.016 0.000 1.116 834 D HN 0.766 nan 8.370 nan 0.000 0.417 835 S N -1.787 113.885 115.700 -0.046 0.000 2.549 835 S HA 0.587 5.057 4.470 0.001 0.000 0.297 835 S C 1.349 175.840 174.600 -0.182 0.000 1.115 835 S CA 0.268 58.406 58.200 -0.103 0.000 1.059 835 S CB 1.518 64.699 63.200 -0.032 0.000 1.046 835 S HN 0.278 nan 8.310 nan 0.000 0.506 836 T N 0.638 114.964 114.554 -0.379 0.000 3.060 836 T HA 0.250 4.600 4.350 0.001 0.000 0.249 836 T C 0.451 174.883 174.700 -0.446 0.000 1.079 836 T CA 0.131 61.997 62.100 -0.390 0.000 1.013 836 T CB -0.337 68.277 68.868 -0.424 0.000 0.975 836 T HN 0.658 nan 8.240 nan 0.000 0.518 837 H N 2.216 121.117 119.070 -0.282 0.000 2.488 837 H HA 0.731 5.287 4.556 0.001 0.000 0.347 837 H C 0.328 175.608 175.328 -0.079 0.000 1.174 837 H CA -0.342 55.436 56.048 -0.451 0.000 1.307 837 H CB 1.582 30.536 29.762 -1.348 0.000 1.517 837 H HN 0.461 nan 8.280 nan 0.000 0.554 838 S N -0.117 115.792 115.700 0.349 0.000 2.615 838 S HA 0.547 5.018 4.470 0.001 0.000 0.269 838 S C -1.333 173.657 174.600 0.650 0.000 1.161 838 S CA -0.897 57.598 58.200 0.491 0.000 0.817 838 S CB 1.484 64.839 63.200 0.259 0.000 1.131 838 S HN 0.278 nan 8.310 nan 0.000 0.467 839 V N 1.182 121.364 119.914 0.446 0.000 2.482 839 V HA 0.789 4.909 4.120 0.001 0.000 0.295 839 V C 0.315 176.567 176.094 0.263 0.000 1.026 839 V CA -0.325 62.163 62.300 0.314 0.000 0.856 839 V CB 1.124 33.015 31.823 0.113 0.000 1.001 839 V HN 1.309 nan 8.190 nan 0.000 0.424 840 A N 4.823 127.770 122.820 0.210 0.000 2.354 840 A HA 0.823 5.144 4.320 0.001 0.000 0.269 840 A C -0.506 177.168 177.584 0.149 0.000 1.109 840 A CA -0.314 51.827 52.037 0.173 0.000 0.800 840 A CB 0.943 20.022 19.000 0.133 0.000 1.045 840 A HN 0.774 nan 8.150 nan 0.000 0.489 841 V N 2.093 122.104 119.914 0.162 0.000 2.686 841 V HA 0.482 4.603 4.120 0.001 0.000 0.306 841 V C -0.321 175.837 176.094 0.105 0.000 1.065 841 V CA -0.544 61.830 62.300 0.124 0.000 0.894 841 V CB 1.735 33.658 31.823 0.166 0.000 1.004 841 V HN 1.027 nan 8.190 nan 0.000 0.424 842 E N 2.790 123.032 120.200 0.070 0.000 2.210 842 E HA 0.566 4.917 4.350 0.001 0.000 0.266 842 E C -1.124 175.502 176.600 0.043 0.000 0.883 842 E CA -0.580 55.859 56.400 0.064 0.000 0.761 842 E CB 1.924 31.656 29.700 0.054 0.000 1.156 842 E HN 0.764 nan 8.360 nan 0.000 0.412 843 E N 3.058 123.298 120.200 0.067 0.000 2.158 843 E HA 0.334 4.685 4.350 0.001 0.000 0.271 843 E C -0.982 175.656 176.600 0.064 0.000 0.911 843 E CA -0.728 55.685 56.400 0.021 0.000 0.767 843 E CB 1.392 31.165 29.700 0.121 0.000 1.120 843 E HN 0.327 nan 8.360 nan 0.000 0.405 844 N N 3.515 122.205 118.700 -0.017 0.000 2.518 844 N HA 0.179 4.919 4.740 0.001 0.000 0.254 844 N C -1.409 174.126 175.510 0.042 0.000 0.979 844 N CA -0.436 52.649 53.050 0.058 0.000 0.930 844 N CB 0.804 39.314 38.487 0.038 0.000 1.152 844 N HN 0.298 nan 8.380 nan 0.000 0.505 845 W N 1.774 123.099 121.300 0.041 0.000 2.335 845 W HA 0.394 5.055 4.660 0.001 0.000 0.307 845 W C 0.326 176.863 176.519 0.031 0.000 1.117 845 W CA -0.481 56.903 57.345 0.066 0.000 1.228 845 W CB 0.969 30.480 29.460 0.085 0.000 1.240 845 W HN 0.149 nan 8.180 nan 0.000 0.468 846 Q N 2.871 122.818 119.800 0.245 0.000 2.271 846 Q HA 0.382 4.722 4.340 0.001 0.000 0.268 846 Q C -0.919 175.160 176.000 0.131 0.000 1.021 846 Q CA -0.988 54.903 55.803 0.147 0.000 0.802 846 Q CB 2.431 31.224 28.738 0.092 0.000 1.282 846 Q HN 0.383 nan 8.270 nan 0.000 0.431 847 L N 2.358 123.647 121.223 0.109 0.000 2.361 847 L HA 0.258 4.599 4.340 0.001 0.000 0.278 847 L C -0.443 176.462 176.870 0.058 0.000 1.113 847 L CA 0.152 55.043 54.840 0.085 0.000 0.849 847 L CB 0.429 42.531 42.059 0.072 0.000 1.155 847 L HN 0.578 nan 8.230 nan 0.000 0.452 848 D N 2.874 123.303 120.400 0.048 0.000 2.469 848 D HA 0.396 5.036 4.640 0.001 0.000 0.251 848 D C 0.534 176.849 176.300 0.025 0.000 1.173 848 D CA -0.036 53.985 54.000 0.034 0.000 0.882 848 D CB 1.377 42.196 40.800 0.032 0.000 1.129 848 D HN 0.646 nan 8.370 nan 0.000 0.549 849 G N 2.951 111.763 108.800 0.020 0.000 2.371 849 G HA2 0.007 3.967 3.960 0.001 0.000 0.299 849 G HA3 0.007 3.967 3.960 0.001 0.000 0.299 849 G C 1.151 176.058 174.900 0.011 0.000 1.014 849 G CA 0.635 45.743 45.100 0.013 0.000 1.097 849 G HN 1.576 nan 8.290 nan 0.000 0.512 850 G N -1.349 107.461 108.800 0.017 0.000 2.189 850 G HA2 -0.303 3.658 3.960 0.001 0.000 0.267 850 G HA3 -0.303 3.658 3.960 0.001 0.000 0.267 850 G C 0.266 175.175 174.900 0.016 0.000 0.975 850 G CA 1.098 46.206 45.100 0.015 0.000 0.644 850 G HN 0.977 nan 8.290 nan 0.000 0.537 851 E N -0.360 119.851 120.200 0.019 0.000 2.216 851 E HA 0.512 4.862 4.350 0.001 0.000 0.279 851 E C -0.360 176.269 176.600 0.047 0.000 0.997 851 E CA -0.983 55.428 56.400 0.019 0.000 0.817 851 E CB 1.659 31.364 29.700 0.008 0.000 1.096 851 E HN 0.168 nan 8.360 nan 0.000 0.393 852 L N 4.480 125.740 121.223 0.062 0.000 2.295 852 L HA 0.198 4.539 4.340 0.001 0.000 0.288 852 L C -1.081 175.848 176.870 0.098 0.000 1.079 852 L CA -0.203 54.710 54.840 0.122 0.000 0.830 852 L CB -0.068 42.097 42.059 0.175 0.000 1.200 852 L HN 0.556 nan 8.230 nan 0.000 0.438 853 C N 5.299 124.656 119.300 0.096 0.000 2.365 853 C HA 0.683 5.143 4.460 0.001 0.000 0.351 853 C C -0.142 174.857 174.990 0.014 0.000 1.240 853 C CA -0.863 58.181 59.018 0.043 0.000 2.062 853 C CB 0.827 28.588 27.740 0.035 0.000 2.387 853 C HN 0.766 nan 8.230 nan 0.000 0.537 854 L N 3.880 125.044 121.223 -0.098 0.000 2.441 854 L HA 0.572 4.912 4.340 0.001 0.000 0.270 854 L C -0.320 176.437 176.870 -0.189 0.000 0.973 854 L CA -0.276 54.389 54.840 -0.291 0.000 0.842 854 L CB 0.682 42.383 42.059 -0.596 0.000 1.239 854 L HN 0.767 nan 8.230 nan 0.000 0.406 855 R N 5.694 126.102 120.500 -0.153 0.000 2.338 855 R HA 0.733 5.074 4.340 0.001 0.000 0.317 855 R C -1.461 174.780 176.300 -0.099 0.000 0.968 855 R CA -0.499 55.550 56.100 -0.085 0.000 0.849 855 R CB 0.894 31.173 30.300 -0.035 0.000 1.128 855 R HN 0.775 nan 8.270 nan 0.000 0.448 856 I N 4.131 124.659 120.570 -0.071 0.000 2.389 856 I HA 0.262 4.433 4.170 0.001 0.000 0.288 856 I C -0.772 175.333 176.117 -0.020 0.000 0.999 856 I CA -0.797 60.469 61.300 -0.057 0.000 1.129 856 I CB 1.970 39.927 38.000 -0.071 0.000 1.288 856 I HN 0.475 nan 8.210 nan 0.000 0.444 857 D N 7.998 128.396 120.400 -0.002 0.000 2.303 857 D HA 0.492 5.132 4.640 0.001 0.000 0.236 857 D C -0.349 175.965 176.300 0.023 0.000 1.068 857 D CA -0.122 53.887 54.000 0.015 0.000 0.830 857 D CB 2.590 43.405 40.800 0.025 0.000 1.109 857 D HN 0.308 nan 8.370 nan 0.000 0.496 858 I N 1.797 122.381 120.570 0.022 0.000 2.355 858 I HA 0.175 4.345 4.170 0.001 0.000 0.288 858 I C 0.118 176.271 176.117 0.060 0.000 0.999 858 I CA -0.446 60.869 61.300 0.025 0.000 1.163 858 I CB 1.477 39.471 38.000 -0.010 0.000 1.316 858 I HN 0.215 nan 8.210 nan 0.000 0.454 859 T N 3.373 117.979 114.554 0.086 0.000 3.068 859 T HA 0.467 4.817 4.350 0.001 0.000 0.364 859 T C -2.630 172.164 174.700 0.158 0.000 1.161 859 T CA -2.135 60.029 62.100 0.106 0.000 1.155 859 T CB 0.905 69.827 68.868 0.090 0.000 1.060 859 T HN 0.111 nan 8.240 nan 0.000 0.513 860 P HA 0.221 nan 4.420 nan 0.000 0.272 860 P C 0.582 178.081 177.300 0.332 0.000 1.223 860 P CA -0.253 63.036 63.100 0.315 0.000 0.784 860 P CB 0.570 32.452 31.700 0.304 0.000 0.923 861 S N 1.224 117.201 115.700 0.462 0.000 2.606 861 S HA 0.477 4.947 4.470 0.001 0.000 0.257 861 S C 0.315 175.099 174.600 0.306 0.000 1.327 861 S CA -0.517 57.878 58.200 0.326 0.000 0.984 861 S CB 0.039 63.404 63.200 0.275 0.000 0.941 861 S HN 0.573 nan 8.310 nan 0.000 0.576 862 A N -0.160 122.763 122.820 0.172 0.000 2.272 862 A HA 0.700 5.021 4.320 0.001 0.000 0.275 862 A C 1.367 178.996 177.584 0.074 0.000 1.096 862 A CA -0.100 52.007 52.037 0.115 0.000 0.822 862 A CB -0.614 18.430 19.000 0.074 0.000 1.088 862 A HN 2.320 nan 8.150 nan 0.000 0.495 863 G N -1.764 107.043 108.800 0.011 0.000 2.313 863 G HA2 -0.218 3.742 3.960 0.001 0.000 0.215 863 G HA3 -0.218 3.742 3.960 0.001 0.000 0.215 863 G C 0.012 174.691 174.900 -0.369 0.000 1.023 863 G CA 0.038 45.071 45.100 -0.111 0.000 0.626 863 G HN 0.755 nan 8.290 nan 0.000 0.503 864 W N 1.737 122.867 121.300 -0.282 0.000 2.368 864 W HA 0.616 5.276 4.660 0.001 0.000 0.316 864 W C 0.710 177.087 176.519 -0.237 0.000 1.375 864 W CA 0.259 57.425 57.345 -0.299 0.000 1.261 864 W CB 0.590 29.957 29.460 -0.155 0.000 1.298 864 W HN 0.224 nan 8.180 nan 0.000 0.539 865 N N 5.594 124.323 118.700 0.049 0.000 2.679 865 N HA 0.278 5.018 4.740 0.001 0.000 0.302 865 N C -1.630 173.918 175.510 0.062 0.000 1.941 865 N CA -0.309 52.751 53.050 0.016 0.000 0.875 865 N CB -0.234 38.250 38.487 -0.006 0.000 1.278 865 N HN 0.442 nan 8.380 nan 0.000 0.490 866 L N -2.605 118.665 121.223 0.078 0.000 2.671 866 L HA 0.692 5.033 4.340 0.001 0.000 0.259 866 L C -1.069 175.848 176.870 0.078 0.000 1.021 866 L CA -1.134 53.786 54.840 0.134 0.000 0.871 866 L CB 1.076 43.313 42.059 0.296 0.000 1.472 866 L HN -0.314 nan 8.230 nan 0.000 0.410 867 V N 1.255 121.251 119.914 0.136 0.000 2.673 867 V HA 0.028 4.149 4.120 0.001 0.000 0.303 867 V C -0.586 175.739 176.094 0.386 0.000 1.046 867 V CA 0.682 63.055 62.300 0.122 0.000 1.126 867 V CB 0.338 32.169 31.823 0.012 0.000 0.934 867 V HN 0.528 nan 8.190 nan 0.000 0.487 868 W N 6.538 127.784 121.300 -0.090 0.000 2.469 868 W HA 0.437 5.098 4.660 0.001 0.000 0.320 868 W C -1.578 174.669 176.519 -0.454 0.000 1.086 868 W CA -2.451 54.710 57.345 -0.307 0.000 1.211 868 W CB 0.838 30.122 29.460 -0.293 0.000 1.298 868 W HN 0.425 nan 8.180 nan 0.000 0.525 869 P HA -0.100 nan 4.420 nan 0.000 0.216 869 P C -0.432 176.678 177.300 -0.317 0.000 1.153 869 P CA 1.830 64.471 63.100 -0.766 0.000 0.848 869 P CB 0.434 31.319 31.700 -1.359 0.000 0.787 870 R N -2.368 117.951 120.500 -0.302 0.000 2.712 870 R HA 0.663 5.003 4.340 0.001 0.000 0.272 870 R C -1.557 174.639 176.300 -0.173 0.000 1.032 870 R CA -0.790 55.197 56.100 -0.189 0.000 0.874 870 R CB 0.399 30.559 30.300 -0.232 0.000 1.256 870 R HN -0.240 nan 8.270 nan 0.000 0.468 871 I N 0.856 121.371 120.570 -0.092 0.000 2.468 871 I HA 0.760 4.930 4.170 0.001 0.000 0.285 871 I C -0.292 175.782 176.117 -0.073 0.000 1.039 871 I CA -0.432 60.804 61.300 -0.106 0.000 1.074 871 I CB 2.112 40.120 38.000 0.013 0.000 1.228 871 I HN 0.953 nan 8.210 nan 0.000 0.436 872 G N 4.649 113.387 108.800 -0.103 0.000 2.606 872 G HA2 0.705 4.665 3.960 0.001 0.000 0.300 872 G HA3 0.705 4.665 3.960 0.001 0.000 0.300 872 G C -1.532 173.322 174.900 -0.077 0.000 1.360 872 G CA -0.527 44.557 45.100 -0.026 0.000 0.783 872 G HN 0.508 nan 8.290 nan 0.000 0.484 873 V N -2.400 117.489 119.914 -0.041 0.000 2.876 873 V HA 0.908 5.028 4.120 0.001 0.000 0.312 873 V C -0.530 175.435 176.094 -0.214 0.000 1.085 873 V CA -1.188 60.993 62.300 -0.198 0.000 0.945 873 V CB 1.915 33.551 31.823 -0.311 0.000 1.017 873 V HN 0.980 nan 8.190 nan 0.000 0.428 874 R N 2.351 122.616 120.500 -0.391 0.000 2.562 874 R HA 0.636 4.976 4.340 0.001 0.000 0.298 874 R C -2.056 173.994 176.300 -0.417 0.000 0.961 874 R CA -0.539 55.287 56.100 -0.458 0.000 0.881 874 R CB 1.719 31.660 30.300 -0.599 0.000 1.159 874 R HN 0.849 nan 8.270 nan 0.000 0.450 875 W N 2.492 123.733 121.300 -0.097 0.000 2.632 875 W HA 0.333 4.993 4.660 0.001 0.000 0.328 875 W C -0.843 175.670 176.519 -0.011 0.000 1.044 875 W CA -0.637 56.703 57.345 -0.008 0.000 1.225 875 W CB 1.602 31.085 29.460 0.038 0.000 1.396 875 W HN 0.394 nan 8.180 nan 0.000 0.499 876 D N 3.218 123.713 120.400 0.158 0.000 2.280 876 D HA 0.573 5.213 4.640 0.001 0.000 0.236 876 D C -0.337 175.928 176.300 -0.057 0.000 1.082 876 D CA -0.178 53.748 54.000 -0.122 0.000 0.834 876 D CB 1.060 41.669 40.800 -0.317 0.000 1.100 876 D HN 0.138 nan 8.370 nan 0.000 0.486 877 L N 2.392 123.567 121.223 -0.080 0.000 2.309 877 L HA 0.568 4.908 4.340 0.001 0.000 0.261 877 L C -2.399 174.476 176.870 0.008 0.000 1.021 877 L CA -2.487 52.365 54.840 0.019 0.000 0.823 877 L CB 1.962 44.048 42.059 0.045 0.000 1.366 877 L HN 0.054 nan 8.230 nan 0.000 0.423 878 P HA 0.035 nan 4.420 nan 0.000 0.269 878 P C 0.604 177.806 177.300 -0.163 0.000 1.209 878 P CA -0.242 62.763 63.100 -0.159 0.000 0.776 878 P CB 0.499 32.051 31.700 -0.247 0.000 0.876 879 T N -1.874 112.580 114.554 -0.167 0.000 2.929 879 T HA -0.199 4.151 4.350 0.001 0.000 0.271 879 T C 0.962 175.597 174.700 -0.107 0.000 1.085 879 T CA 1.439 63.459 62.100 -0.133 0.000 1.125 879 T CB -0.949 67.842 68.868 -0.128 0.000 0.874 879 T HN 0.444 nan 8.240 nan 0.000 0.494 880 D N 1.195 121.516 120.400 -0.132 0.000 2.363 880 D HA -0.002 4.639 4.640 0.001 0.000 0.226 880 D C 0.380 176.619 176.300 -0.102 0.000 1.020 880 D CA -0.170 53.764 54.000 -0.111 0.000 0.892 880 D CB -0.773 39.956 40.800 -0.120 0.000 0.900 880 D HN 0.347 nan 8.370 nan 0.000 0.531 881 V N 2.390 122.233 119.914 -0.119 0.000 2.397 881 V HA 0.146 4.266 4.120 0.001 0.000 0.262 881 V C 0.242 176.352 176.094 0.028 0.000 1.047 881 V CA 0.256 62.532 62.300 -0.039 0.000 1.003 881 V CB 0.550 32.368 31.823 -0.009 0.000 1.037 881 V HN 0.269 nan 8.190 nan 0.000 0.480 882 D N 2.523 122.955 120.400 0.053 0.000 2.636 882 D HA 0.363 5.003 4.640 0.001 0.000 0.270 882 D C 0.219 176.576 176.300 0.095 0.000 1.430 882 D CA 0.156 54.194 54.000 0.063 0.000 0.796 882 D CB 0.847 41.668 40.800 0.035 0.000 1.117 882 D HN 0.584 nan 8.370 nan 0.000 0.480 883 G N -0.913 107.962 108.800 0.126 0.000 2.646 883 G HA2 0.691 4.651 3.960 0.001 0.000 0.291 883 G HA3 0.691 4.651 3.960 0.001 0.000 0.291 883 G C -1.893 173.121 174.900 0.190 0.000 1.445 883 G CA -0.422 44.772 45.100 0.156 0.000 0.814 883 G HN 0.485 nan 8.290 nan 0.000 0.495 884 A N -0.941 122.028 122.820 0.249 0.000 2.549 884 A HA 1.009 5.330 4.320 0.001 0.000 0.297 884 A C -0.333 177.496 177.584 0.409 0.000 1.061 884 A CA 0.083 52.286 52.037 0.276 0.000 0.690 884 A CB 1.595 20.755 19.000 0.267 0.000 1.287 884 A HN 2.352 nan 8.150 nan 0.000 0.402 885 A N 0.629 123.672 122.820 0.372 0.000 2.355 885 A HA 0.940 5.261 4.320 0.001 0.000 0.324 885 A C -0.845 176.984 177.584 0.408 0.000 1.117 885 A CA -0.336 51.936 52.037 0.393 0.000 0.785 885 A CB 0.607 19.798 19.000 0.318 0.000 1.254 885 A HN 2.018 nan 8.150 nan 0.000 0.453 886 W N -0.014 121.167 121.300 -0.198 0.000 3.074 886 W HA 0.691 5.351 4.660 0.001 0.000 0.332 886 W C -2.000 174.013 176.519 -0.843 0.000 1.253 886 W CA -1.152 55.814 57.345 -0.632 0.000 1.180 886 W CB 0.853 30.193 29.460 -0.201 0.000 1.445 886 W HN 0.598 nan 8.180 nan 0.000 0.573 887 F N 2.657 121.809 119.950 -1.330 0.000 2.402 887 F HA 0.784 5.311 4.527 0.001 0.000 0.355 887 F C 0.327 175.911 175.800 -0.361 0.000 1.123 887 F CA 0.674 58.135 58.000 -0.899 0.000 1.021 887 F CB 1.175 39.640 39.000 -0.892 0.000 1.160 887 F HN 0.930 nan 8.300 nan 0.000 0.451 888 G N 2.956 111.373 108.800 -0.639 0.000 2.404 888 G HA2 0.437 4.397 3.960 0.001 0.000 0.253 888 G HA3 0.437 4.397 3.960 0.001 0.000 0.253 888 G C -1.669 173.118 174.900 -0.189 0.000 1.253 888 G CA -0.304 44.628 45.100 -0.280 0.000 0.917 888 G HN 0.863 nan 8.290 nan 0.000 0.480 889 A N -0.538 122.253 122.820 -0.049 0.000 2.401 889 A HA 0.837 5.157 4.320 0.001 0.000 0.259 889 A C 0.811 178.348 177.584 -0.077 0.000 1.103 889 A CA 1.343 53.318 52.037 -0.103 0.000 0.789 889 A CB 0.364 19.282 19.000 -0.136 0.000 1.035 889 A HN 2.448 nan 8.150 nan 0.000 0.491 890 G N 0.898 109.466 108.800 -0.386 0.000 2.490 890 G HA2 0.553 4.514 3.960 0.001 0.000 0.308 890 G HA3 0.553 4.514 3.960 0.001 0.000 0.308 890 G C -2.735 171.813 174.900 -0.587 0.000 1.286 890 G CA 0.107 44.761 45.100 -0.744 0.000 0.825 890 G HN 0.319 nan 8.290 nan 0.000 0.479 891 P HA 0.123 nan 4.420 nan 0.000 0.240 891 P C 0.591 177.820 177.300 -0.119 0.000 1.190 891 P CA 0.338 63.172 63.100 -0.443 0.000 0.781 891 P CB 0.570 32.161 31.700 -0.182 0.000 0.931 892 R N 0.812 121.214 120.500 -0.164 0.000 2.608 892 R HA 0.271 4.611 4.340 0.001 0.000 0.255 892 R C 0.756 176.974 176.300 -0.138 0.000 1.086 892 R CA -0.814 55.213 56.100 -0.122 0.000 1.125 892 R CB 0.513 30.727 30.300 -0.143 0.000 1.193 892 R HN 0.104 nan 8.270 nan 0.000 0.553 893 E N 0.683 120.812 120.200 -0.117 0.000 2.436 893 E HA 0.070 4.420 4.350 0.001 0.000 0.262 893 E C -0.966 175.578 176.600 -0.093 0.000 1.063 893 E CA -0.079 56.236 56.400 -0.140 0.000 0.944 893 E CB 0.625 30.358 29.700 0.055 0.000 0.950 893 E HN 0.563 nan 8.360 nan 0.000 0.444 894 S N 1.649 117.191 115.700 -0.264 0.000 2.550 894 S HA 0.575 5.046 4.470 0.001 0.000 0.270 894 S C -1.471 172.905 174.600 -0.374 0.000 1.145 894 S CA -0.938 57.172 58.200 -0.150 0.000 0.852 894 S CB 0.825 63.938 63.200 -0.145 0.000 1.119 894 S HN 0.552 nan 8.310 nan 0.000 0.465 895 Y N -0.016 120.287 120.300 0.006 0.000 2.609 895 Y HA 0.510 5.060 4.550 0.001 0.000 0.342 895 Y C -2.128 173.746 175.900 -0.042 0.000 1.058 895 Y CA -2.153 55.946 58.100 -0.001 0.000 1.055 895 Y CB 1.478 39.907 38.460 -0.051 0.000 1.292 895 Y HN 0.390 nan 8.280 nan 0.000 0.476 896 P HA -0.201 nan 4.420 nan 0.000 0.216 896 P C 0.393 177.569 177.300 -0.207 0.000 1.154 896 P CA 2.236 65.393 63.100 0.095 0.000 0.865 896 P CB 0.189 32.038 31.700 0.250 0.000 0.789 897 D N -2.465 117.744 120.400 -0.319 0.000 2.358 897 D HA 0.093 4.734 4.640 0.001 0.000 0.224 897 D C -0.021 176.103 176.300 -0.293 0.000 1.123 897 D CA -0.007 53.570 54.000 -0.705 0.000 0.833 897 D CB -0.340 40.149 40.800 -0.518 0.000 0.946 897 D HN -0.044 nan 8.370 nan 0.000 0.505 898 S N 0.157 115.782 115.700 -0.126 0.000 2.386 898 S HA 0.310 4.781 4.470 0.001 0.000 0.152 898 S C 0.075 174.677 174.600 0.003 0.000 1.511 898 S CA -0.550 57.652 58.200 0.004 0.000 1.246 898 S CB -0.089 63.153 63.200 0.071 0.000 1.338 898 S HN 0.047 nan 8.310 nan 0.000 0.409 899 M N 1.845 121.401 119.600 -0.073 0.000 2.279 899 M HA 0.274 4.755 4.480 0.001 0.000 0.306 899 M C 1.166 177.392 176.300 -0.123 0.000 0.965 899 M CA 0.153 55.381 55.300 -0.121 0.000 1.038 899 M CB -0.626 31.863 32.600 -0.185 0.000 1.636 899 M HN 0.591 nan 8.290 nan 0.000 0.574 900 H N 0.184 119.255 119.070 0.001 0.000 2.423 900 H HA 0.140 4.696 4.556 0.001 0.000 0.297 900 H C 1.249 176.590 175.328 0.022 0.000 1.075 900 H CA 1.450 57.507 56.048 0.015 0.000 1.342 900 H CB 0.369 30.142 29.762 0.017 0.000 1.395 900 H HN 0.299 nan 8.280 nan 0.000 0.530 901 A N 1.601 124.504 122.820 0.139 0.000 2.476 901 A HA 0.113 4.434 4.320 0.001 0.000 0.263 901 A C 0.856 178.451 177.584 0.017 0.000 1.342 901 A CA -0.070 52.029 52.037 0.104 0.000 0.926 901 A CB -0.627 18.471 19.000 0.163 0.000 1.019 901 A HN 0.331 nan 8.150 nan 0.000 0.515 902 T N -1.693 112.848 114.554 -0.022 0.000 2.925 902 T HA 0.703 5.053 4.350 0.001 0.000 0.285 902 T C -0.310 174.335 174.700 -0.091 0.000 1.021 902 T CA -0.713 61.335 62.100 -0.086 0.000 1.042 902 T CB 1.356 70.154 68.868 -0.117 0.000 1.037 902 T HN 0.515 nan 8.240 nan 0.000 0.481 903 M N 0.619 120.146 119.600 -0.122 0.000 2.518 903 M HA 0.740 5.220 4.480 0.001 0.000 0.300 903 M C -1.504 174.629 176.300 -0.277 0.000 1.175 903 M CA -1.206 53.994 55.300 -0.167 0.000 0.890 903 M CB 2.152 34.692 32.600 -0.100 0.000 1.710 903 M HN 0.301 nan 8.290 nan 0.000 0.453 904 V N 3.009 122.559 119.914 -0.607 0.000 2.408 904 V HA 0.868 4.989 4.120 0.001 0.000 0.267 904 V C 0.264 175.742 176.094 -1.026 0.000 1.047 904 V CA 0.406 62.132 62.300 -0.956 0.000 0.937 904 V CB -0.080 30.796 31.823 -1.579 0.000 0.999 904 V HN 1.051 nan 8.190 nan 0.000 0.472 905 A N 5.380 127.512 122.820 -1.147 0.000 2.438 905 A HA 0.682 5.002 4.320 0.001 0.000 0.301 905 A C -0.755 176.071 177.584 -1.263 0.000 1.101 905 A CA -0.862 50.565 52.037 -1.016 0.000 0.621 905 A CB 1.139 19.694 19.000 -0.743 0.000 1.350 905 A HN 0.604 nan 8.150 nan 0.000 0.496 906 R N 0.977 121.065 120.500 -0.687 0.000 2.265 906 R HA 0.529 4.869 4.340 0.001 0.000 0.314 906 R C -1.052 174.705 176.300 -0.905 0.000 1.053 906 R CA -0.194 55.580 56.100 -0.542 0.000 0.931 906 R CB 0.203 30.476 30.300 -0.045 0.000 1.024 906 R HN 0.843 nan 8.270 nan 0.000 0.457 907 H N 1.145 119.706 119.070 -0.848 0.000 2.834 907 H HA 0.677 5.234 4.556 0.001 0.000 0.369 907 H C -1.007 173.856 175.328 -0.774 0.000 1.174 907 H CA -0.838 54.630 56.048 -0.967 0.000 1.165 907 H CB 2.298 31.046 29.762 -1.691 0.000 1.820 907 H HN 0.708 nan 8.280 nan 0.000 0.558 908 A N 0.536 123.197 122.820 -0.265 0.000 2.520 908 A HA 0.765 5.086 4.320 0.001 0.000 0.298 908 A C -1.440 176.256 177.584 0.186 0.000 1.051 908 A CA -0.104 51.962 52.037 0.049 0.000 0.690 908 A CB 1.839 20.874 19.000 0.058 0.000 1.281 908 A HN 0.856 nan 8.150 nan 0.000 0.402 909 A N 0.859 123.874 122.820 0.326 0.000 2.547 909 A HA 0.804 5.124 4.320 0.001 0.000 0.297 909 A C 0.052 177.759 177.584 0.205 0.000 1.056 909 A CA 0.177 52.365 52.037 0.252 0.000 0.688 909 A CB 0.842 20.024 19.000 0.303 0.000 1.282 909 A HN 2.270 nan 8.150 nan 0.000 0.400 910 S N 1.065 116.848 115.700 0.138 0.000 2.608 910 S HA 0.428 4.898 4.470 0.001 0.000 0.261 910 S C 1.243 175.908 174.600 0.108 0.000 1.314 910 S CA -0.203 58.066 58.200 0.114 0.000 0.992 910 S CB 0.147 63.396 63.200 0.083 0.000 0.935 910 S HN 0.722 nan 8.310 nan 0.000 0.564 911 L N 0.611 121.891 121.223 0.096 0.000 2.021 911 L HA -0.207 4.133 4.340 0.001 0.000 0.215 911 L C 2.810 179.719 176.870 0.066 0.000 1.074 911 L CA 2.034 56.925 54.840 0.085 0.000 0.760 911 L CB -0.803 41.303 42.059 0.079 0.000 0.889 911 L HN 0.747 nan 8.230 nan 0.000 0.433 912 E N -0.150 120.085 120.200 0.059 0.000 2.160 912 E HA -0.241 4.110 4.350 0.001 0.000 0.195 912 E C 2.002 178.622 176.600 0.034 0.000 0.991 912 E CA 1.356 57.783 56.400 0.045 0.000 0.810 912 E CB -0.072 29.654 29.700 0.044 0.000 0.742 912 E HN 0.525 nan 8.360 nan 0.000 0.466 913 E N -0.245 119.984 120.200 0.047 0.000 2.299 913 E HA 0.003 4.353 4.350 0.001 0.000 0.193 913 E C 1.823 178.441 176.600 0.031 0.000 0.998 913 E CA 0.169 56.594 56.400 0.042 0.000 0.851 913 E CB 0.122 29.861 29.700 0.066 0.000 0.795 913 E HN 0.220 nan 8.360 nan 0.000 0.492 914 L N 0.780 122.024 121.223 0.034 0.000 2.095 914 L HA -0.030 4.310 4.340 0.001 0.000 0.204 914 L C 0.491 177.334 176.870 -0.046 0.000 1.080 914 L CA 0.555 55.386 54.840 -0.015 0.000 0.759 914 L CB 0.024 42.077 42.059 -0.010 0.000 0.914 914 L HN 0.060 nan 8.230 nan 0.000 0.439 915 N N -0.430 118.260 118.700 -0.018 0.000 2.399 915 N HA 0.277 5.017 4.740 0.001 0.000 0.295 915 N C -0.796 174.667 175.510 -0.078 0.000 1.048 915 N CA -0.334 52.702 53.050 -0.024 0.000 0.886 915 N CB 2.401 40.901 38.487 0.022 0.000 1.185 915 N HN -0.279 nan 8.380 nan 0.000 0.487 916 V N 3.425 123.240 119.914 -0.166 0.000 2.461 916 V HA 0.246 4.367 4.120 0.001 0.000 0.275 916 V C -1.709 174.142 176.094 -0.405 0.000 1.047 916 V CA -1.234 60.829 62.300 -0.394 0.000 0.955 916 V CB 1.131 32.476 31.823 -0.797 0.000 0.988 916 V HN 0.553 nan 8.190 nan 0.000 0.471 917 P HA 0.179 nan 4.420 nan 0.000 0.237 917 P C -0.521 176.703 177.300 -0.127 0.000 1.788 917 P CA -0.283 62.745 63.100 -0.120 0.000 1.061 917 P CB -0.385 31.304 31.700 -0.018 0.000 1.967 918 Y N 0.880 121.175 120.300 -0.008 0.000 2.578 918 Y HA 0.056 4.606 4.550 0.001 0.000 0.339 918 Y C 2.206 178.108 175.900 0.003 0.000 1.231 918 Y CA -0.342 57.734 58.100 -0.041 0.000 1.461 918 Y CB 0.334 38.745 38.460 -0.081 0.000 1.323 918 Y HN 0.297 nan 8.280 nan 0.000 0.590 919 A N 3.287 126.209 122.820 0.170 0.000 1.940 919 A HA -0.170 4.150 4.320 0.001 0.000 0.219 919 A C 1.277 178.967 177.584 0.176 0.000 1.176 919 A CA 1.260 53.414 52.037 0.195 0.000 0.631 919 A CB -0.274 18.823 19.000 0.163 0.000 0.814 919 A HN 0.734 nan 8.150 nan 0.000 0.446 920 R N 0.296 120.819 120.500 0.038 0.000 2.310 920 R HA 0.370 4.710 4.340 0.001 0.000 0.324 920 R C -3.064 173.243 176.300 0.012 0.000 0.955 920 R CA -2.424 53.663 56.100 -0.022 0.000 0.830 920 R CB 1.011 31.201 30.300 -0.182 0.000 1.154 920 R HN 0.031 nan 8.270 nan 0.000 0.458 921 P HA -0.078 nan 4.420 nan 0.000 0.262 921 P C -1.180 176.129 177.300 0.014 0.000 1.182 921 P CA 0.485 63.611 63.100 0.044 0.000 0.761 921 P CB 0.700 32.412 31.700 0.018 0.000 0.795 922 Q N 0.772 120.591 119.800 0.031 0.000 2.737 922 Q HA 0.417 4.758 4.340 0.001 0.000 0.307 922 Q C -0.977 175.007 176.000 -0.027 0.000 0.905 922 Q CA -1.151 54.627 55.803 -0.041 0.000 0.753 922 Q CB 0.589 29.248 28.738 -0.131 0.000 1.463 922 Q HN 0.115 nan 8.270 nan 0.000 0.455 923 E N 0.900 121.034 120.200 -0.110 0.000 2.529 923 E HA 0.226 4.577 4.350 0.001 0.000 0.259 923 E C -1.252 175.351 176.600 0.006 0.000 0.966 923 E CA 1.140 57.480 56.400 -0.099 0.000 0.937 923 E CB 0.562 30.154 29.700 -0.180 0.000 0.923 923 E HN 0.632 nan 8.360 nan 0.000 0.468 924 T N 2.359 116.974 114.554 0.101 0.000 2.830 924 T HA 0.539 4.890 4.350 0.001 0.000 0.322 924 T C 0.237 175.022 174.700 0.141 0.000 1.501 924 T CA 0.246 62.470 62.100 0.206 0.000 1.036 924 T CB 0.669 69.668 68.868 0.218 0.000 1.379 924 T HN 0.996 nan 8.240 nan 0.000 0.493 925 G N 2.020 110.888 108.800 0.114 0.000 2.176 925 G HA2 -0.189 3.772 3.960 0.001 0.000 0.232 925 G HA3 -0.189 3.772 3.960 0.001 0.000 0.232 925 G C -0.054 174.692 174.900 -0.257 0.000 0.986 925 G CA 0.615 45.670 45.100 -0.074 0.000 0.643 925 G HN 1.278 nan 8.290 nan 0.000 0.522 926 H N 1.810 120.690 119.070 -0.317 0.000 3.046 926 H HA 0.558 5.114 4.556 0.001 0.000 0.303 926 H C 0.535 175.432 175.328 -0.719 0.000 1.002 926 H CA 0.150 55.854 56.048 -0.572 0.000 1.460 926 H CB 0.462 29.790 29.762 -0.723 0.000 1.493 926 H HN 0.128 nan 8.280 nan 0.000 0.559 927 R N 4.060 123.748 120.500 -1.354 0.000 2.255 927 R HA 0.301 4.642 4.340 0.001 0.000 0.326 927 R C -0.351 175.288 176.300 -1.101 0.000 0.986 927 R CA -0.615 54.750 56.100 -1.225 0.000 0.847 927 R CB 1.310 30.578 30.300 -1.719 0.000 1.111 927 R HN 0.614 nan 8.270 nan 0.000 0.452 928 S N 0.875 116.153 115.700 -0.702 0.000 2.672 928 S HA 0.123 4.594 4.470 0.001 0.000 0.276 928 S C -0.016 174.481 174.600 -0.171 0.000 1.207 928 S CA -0.530 57.435 58.200 -0.392 0.000 1.002 928 S CB 0.726 63.803 63.200 -0.206 0.000 0.998 928 S HN 0.666 nan 8.310 nan 0.000 0.542 929 D N 0.302 120.663 120.400 -0.064 0.000 2.699 929 D HA -0.141 4.499 4.640 0.001 0.000 0.239 929 D C -0.836 175.481 176.300 0.028 0.000 1.136 929 D CA 0.318 54.319 54.000 0.000 0.000 0.668 929 D CB -1.226 39.564 40.800 -0.018 0.000 1.060 929 D HN 0.197 nan 8.370 nan 0.000 0.429 930 V N 1.148 121.092 119.914 0.050 0.000 2.432 930 V HA 0.294 4.415 4.120 0.001 0.000 0.275 930 V C 1.594 177.757 176.094 0.114 0.000 1.043 930 V CA -0.298 62.060 62.300 0.097 0.000 0.925 930 V CB 1.694 33.588 31.823 0.119 0.000 0.985 930 V HN 0.116 nan 8.190 nan 0.000 0.466 931 R N 3.769 124.348 120.500 0.131 0.000 2.080 931 R HA 0.153 4.493 4.340 0.001 0.000 0.222 931 R C 0.261 176.716 176.300 0.258 0.000 1.107 931 R CA 0.981 57.205 56.100 0.206 0.000 0.980 931 R CB 0.274 30.767 30.300 0.321 0.000 0.879 931 R HN 0.854 nan 8.270 nan 0.000 0.439 932 W N -0.420 120.981 121.300 0.168 0.000 3.248 932 W HA 0.489 5.149 4.660 0.001 0.000 0.311 932 W C -1.898 174.666 176.519 0.074 0.000 1.258 932 W CA -1.612 55.777 57.345 0.073 0.000 1.191 932 W CB 0.357 29.836 29.460 0.032 0.000 1.389 932 W HN -0.137 nan 8.180 nan 0.000 0.561 933 L N -0.158 121.264 121.223 0.332 0.000 2.371 933 L HA 0.818 5.158 4.340 0.001 0.000 0.262 933 L C -1.110 175.900 176.870 0.233 0.000 1.006 933 L CA -0.963 53.948 54.840 0.118 0.000 0.818 933 L CB 2.449 44.212 42.059 -0.494 0.000 1.354 933 L HN 0.548 nan 8.230 nan 0.000 0.415 934 E N 1.900 122.240 120.200 0.234 0.000 2.224 934 E HA 0.638 4.988 4.350 0.001 0.000 0.265 934 E C -1.621 175.015 176.600 0.059 0.000 0.878 934 E CA -0.636 55.838 56.400 0.123 0.000 0.759 934 E CB 1.900 31.729 29.700 0.215 0.000 1.164 934 E HN 0.717 nan 8.360 nan 0.000 0.414 935 L N 3.715 124.941 121.223 0.004 0.000 2.307 935 L HA 0.456 4.797 4.340 0.001 0.000 0.282 935 L C -0.442 176.560 176.870 0.220 0.000 1.051 935 L CA -0.801 54.109 54.840 0.117 0.000 0.804 935 L CB 1.091 43.254 42.059 0.173 0.000 1.197 935 L HN 0.435 nan 8.230 nan 0.000 0.431 936 D N 2.547 123.072 120.400 0.209 0.000 2.252 936 D HA 0.418 5.058 4.640 0.001 0.000 0.245 936 D C -0.397 175.995 176.300 0.154 0.000 1.009 936 D CA -0.558 53.552 54.000 0.184 0.000 0.870 936 D CB 1.929 42.811 40.800 0.137 0.000 1.251 936 D HN 0.324 nan 8.370 nan 0.000 0.460 937 R N 0.626 121.190 120.500 0.107 0.000 2.275 937 R HA 0.541 4.881 4.340 0.001 0.000 0.326 937 R C -0.241 176.069 176.300 0.017 0.000 0.973 937 R CA -0.621 55.489 56.100 0.016 0.000 0.854 937 R CB 1.450 31.705 30.300 -0.074 0.000 1.156 937 R HN 0.571 nan 8.270 nan 0.000 0.487 938 A N 2.472 125.304 122.820 0.019 0.000 2.610 938 A HA -0.188 4.132 4.320 0.001 0.000 0.299 938 A C 1.322 178.926 177.584 0.034 0.000 1.487 938 A CA 1.005 53.054 52.037 0.020 0.000 0.743 938 A CB -2.019 16.983 19.000 0.002 0.000 1.070 938 A HN 1.288 nan 8.150 nan 0.000 0.439 939 G N -1.975 106.856 108.800 0.052 0.000 2.284 939 G HA2 0.105 4.065 3.960 0.001 0.000 0.261 939 G HA3 0.105 4.065 3.960 0.001 0.000 0.261 939 G C 0.944 175.880 174.900 0.060 0.000 0.997 939 G CA 1.284 46.419 45.100 0.058 0.000 0.621 939 G HN 2.590 nan 8.290 nan 0.000 0.534 940 A N 1.645 124.499 122.820 0.057 0.000 2.347 940 A HA 0.665 4.985 4.320 0.001 0.000 0.287 940 A C -1.848 175.796 177.584 0.100 0.000 1.199 940 A CA -0.950 51.124 52.037 0.062 0.000 0.851 940 A CB 0.403 19.431 19.000 0.048 0.000 1.118 940 A HN 0.190 nan 8.150 nan 0.000 0.525 941 P HA 0.036 nan 4.420 nan 0.000 0.267 941 P C -0.046 177.349 177.300 0.158 0.000 1.205 941 P CA 0.137 63.299 63.100 0.104 0.000 0.765 941 P CB 0.469 32.194 31.700 0.042 0.000 0.828 942 W N 6.354 127.639 121.300 -0.025 0.000 3.127 942 W HA 0.375 5.036 4.660 0.001 0.000 0.248 942 W C -1.114 175.373 176.519 -0.053 0.000 1.058 942 W CA 0.455 57.778 57.345 -0.037 0.000 1.783 942 W CB -0.013 29.426 29.460 -0.034 0.000 1.030 942 W HN 0.171 nan 8.180 nan 0.000 0.653 943 L N 1.893 122.758 121.223 -0.596 0.000 2.408 943 L HA 0.549 4.889 4.340 0.001 0.000 0.268 943 L C -0.682 175.917 176.870 -0.452 0.000 0.986 943 L CA -0.950 53.358 54.840 -0.887 0.000 0.820 943 L CB 1.788 42.892 42.059 -1.590 0.000 1.303 943 L HN -0.027 nan 8.230 nan 0.000 0.411 944 R N 4.384 124.665 120.500 -0.364 0.000 2.562 944 R HA 0.803 5.144 4.340 0.001 0.000 0.298 944 R C -1.759 174.411 176.300 -0.215 0.000 0.961 944 R CA -0.354 55.608 56.100 -0.230 0.000 0.881 944 R CB 1.257 31.426 30.300 -0.218 0.000 1.159 944 R HN 0.695 nan 8.270 nan 0.000 0.450 945 I N 3.654 124.144 120.570 -0.134 0.000 2.447 945 I HA 0.294 4.465 4.170 0.001 0.000 0.287 945 I C -0.776 175.350 176.117 0.015 0.000 1.023 945 I CA -0.757 60.473 61.300 -0.116 0.000 1.083 945 I CB 2.089 39.979 38.000 -0.184 0.000 1.245 945 I HN 0.549 nan 8.210 nan 0.000 0.434 946 D N 5.951 126.364 120.400 0.021 0.000 2.168 946 D HA 0.569 5.209 4.640 0.001 0.000 0.246 946 D C -0.513 175.833 176.300 0.075 0.000 1.050 946 D CA -0.229 53.831 54.000 0.100 0.000 0.857 946 D CB 2.663 43.501 40.800 0.064 0.000 1.169 946 D HN 0.536 nan 8.370 nan 0.000 0.453 947 A N 2.095 124.981 122.820 0.110 0.000 2.331 947 A HA 0.403 4.723 4.320 0.001 0.000 0.320 947 A C -0.263 177.377 177.584 0.093 0.000 1.138 947 A CA -0.687 51.401 52.037 0.086 0.000 0.790 947 A CB 1.593 20.647 19.000 0.091 0.000 1.206 947 A HN 0.475 nan 8.150 nan 0.000 0.470 948 E N 3.148 123.390 120.200 0.071 0.000 2.249 948 E HA 0.584 4.934 4.350 0.001 0.000 0.280 948 E C -2.628 174.013 176.600 0.069 0.000 1.016 948 E CA -1.952 54.490 56.400 0.069 0.000 0.830 948 E CB 0.774 30.505 29.700 0.051 0.000 1.081 948 E HN 0.370 nan 8.360 nan 0.000 0.395 949 P HA 0.071 nan 4.420 nan 0.000 0.269 949 P C -0.839 176.495 177.300 0.058 0.000 1.209 949 P CA -0.155 62.989 63.100 0.072 0.000 0.776 949 P CB 0.422 32.170 31.700 0.078 0.000 0.876 950 D N 1.310 121.742 120.400 0.054 0.000 2.398 950 D HA 0.132 4.772 4.640 0.001 0.000 0.264 950 D C 1.258 177.583 176.300 0.042 0.000 1.263 950 D CA -0.323 53.703 54.000 0.045 0.000 1.037 950 D CB -0.326 40.500 40.800 0.043 0.000 1.101 950 D HN 0.246 nan 8.370 nan 0.000 0.551 951 A N -0.451 122.390 122.820 0.035 0.000 1.978 951 A HA 0.014 4.335 4.320 0.001 0.000 0.220 951 A C 2.085 179.689 177.584 0.033 0.000 1.170 951 A CA 2.310 54.366 52.037 0.032 0.000 0.636 951 A CB -1.231 17.785 19.000 0.027 0.000 0.810 951 A HN 0.712 nan 8.150 nan 0.000 0.448 952 A N -2.063 120.778 122.820 0.036 0.000 2.251 952 A HA 0.433 4.753 4.320 0.001 0.000 0.209 952 A C 1.738 179.349 177.584 0.045 0.000 1.187 952 A CA 1.091 53.150 52.037 0.037 0.000 0.823 952 A CB -0.898 18.123 19.000 0.035 0.000 0.846 952 A HN 1.880 nan 8.150 nan 0.000 0.486 953 G N -0.562 108.268 108.800 0.050 0.000 2.159 953 G HA2 -0.269 3.692 3.960 0.001 0.000 0.256 953 G HA3 -0.269 3.692 3.960 0.001 0.000 0.256 953 G C 0.313 175.255 174.900 0.070 0.000 0.977 953 G CA 0.250 45.387 45.100 0.061 0.000 0.652 953 G HN 0.626 nan 8.290 nan 0.000 0.531 954 R N 0.329 120.868 120.500 0.066 0.000 2.438 954 R HA 0.569 4.909 4.340 0.001 0.000 0.287 954 R C 0.652 176.997 176.300 0.076 0.000 1.077 954 R CA -0.113 56.030 56.100 0.071 0.000 1.034 954 R CB 0.586 30.925 30.300 0.065 0.000 0.993 954 R HN 0.311 nan 8.270 nan 0.000 0.459 955 R N 2.858 123.407 120.500 0.082 0.000 2.664 955 R HA 0.410 4.750 4.340 0.001 0.000 0.286 955 R C -2.138 174.211 176.300 0.083 0.000 0.967 955 R CA -1.895 54.256 56.100 0.086 0.000 0.933 955 R CB 1.256 31.612 30.300 0.094 0.000 1.146 955 R HN 0.444 nan 8.270 nan 0.000 0.468 956 P HA 0.272 nan 4.420 nan 0.000 0.279 956 P C -0.510 176.841 177.300 0.086 0.000 1.276 956 P CA -0.379 62.781 63.100 0.100 0.000 0.801 956 P CB 0.975 32.740 31.700 0.107 0.000 1.127 957 G N -0.974 107.892 108.800 0.110 0.000 3.042 957 G HA2 0.771 4.732 3.960 0.001 0.000 0.278 957 G HA3 0.771 4.732 3.960 0.001 0.000 0.278 957 G C -1.646 173.302 174.900 0.080 0.000 1.371 957 G CA -0.894 44.168 45.100 -0.062 0.000 1.009 957 G HN 0.587 nan 8.290 nan 0.000 0.523 958 F N -1.433 118.341 119.950 -0.294 0.000 2.645 958 F HA 0.844 5.372 4.527 0.001 0.000 0.310 958 F C -0.680 175.028 175.800 -0.154 0.000 1.102 958 F CA -1.140 56.789 58.000 -0.118 0.000 0.952 958 F CB 1.759 40.684 39.000 -0.126 0.000 1.326 958 F HN 0.490 nan 8.300 nan 0.000 0.456 959 S N 2.024 117.727 115.700 0.005 0.000 2.569 959 S HA 0.781 5.251 4.470 0.001 0.000 0.280 959 S C -1.925 172.845 174.600 0.284 0.000 1.111 959 S CA -0.663 57.494 58.200 -0.072 0.000 0.887 959 S CB 2.003 65.214 63.200 0.019 0.000 1.095 959 S HN 0.870 nan 8.310 nan 0.000 0.476 960 L N 2.083 123.440 121.223 0.223 0.000 2.381 960 L HA 0.912 5.253 4.340 0.001 0.000 0.274 960 L C -0.657 176.356 176.870 0.238 0.000 0.988 960 L CA -0.113 54.904 54.840 0.295 0.000 0.824 960 L CB 1.182 43.414 42.059 0.288 0.000 1.263 960 L HN 0.900 nan 8.230 nan 0.000 0.410 961 A N 4.437 127.441 122.820 0.306 0.000 2.527 961 A HA 0.712 5.032 4.320 0.001 0.000 0.293 961 A C 0.169 177.919 177.584 0.276 0.000 1.117 961 A CA -0.664 51.545 52.037 0.287 0.000 0.723 961 A CB 1.497 20.701 19.000 0.340 0.000 1.313 961 A HN 0.783 nan 8.150 nan 0.000 0.411 962 R N -0.555 120.050 120.500 0.175 0.000 2.312 962 R HA 0.182 4.523 4.340 0.001 0.000 0.205 962 R C -0.564 175.628 176.300 -0.181 0.000 0.904 962 R CA 0.586 56.661 56.100 -0.041 0.000 1.052 962 R CB 0.073 30.252 30.300 -0.202 0.000 1.014 962 R HN 0.812 nan 8.270 nan 0.000 0.503 963 H N -1.596 117.703 119.070 0.382 0.000 2.985 963 H HA 0.177 4.734 4.556 0.001 0.000 0.360 963 H C -0.235 175.147 175.328 0.090 0.000 1.221 963 H CA -0.808 55.416 56.048 0.295 0.000 1.121 963 H CB 1.467 31.329 29.762 0.166 0.000 1.854 963 H HN -0.074 nan 8.280 nan 0.000 0.551 964 T N -1.393 113.115 114.554 -0.078 0.000 2.828 964 T HA 0.354 4.704 4.350 0.001 0.000 0.290 964 T C 1.468 176.225 174.700 0.094 0.000 1.019 964 T CA -0.209 61.783 62.100 -0.179 0.000 1.031 964 T CB 1.157 69.861 68.868 -0.274 0.000 1.001 964 T HN 0.725 nan 8.240 nan 0.000 0.531 965 A N 0.740 123.655 122.820 0.159 0.000 1.978 965 A HA -0.095 4.225 4.320 0.001 0.000 0.220 965 A C 2.380 180.169 177.584 0.342 0.000 1.170 965 A CA 1.598 53.721 52.037 0.145 0.000 0.636 965 A CB -0.992 18.041 19.000 0.056 0.000 0.810 965 A HN 0.861 nan 8.150 nan 0.000 0.448 966 Q N -0.224 119.742 119.800 0.276 0.000 2.079 966 Q HA -0.124 4.217 4.340 0.001 0.000 0.200 966 Q C 1.943 178.013 176.000 0.117 0.000 0.974 966 Q CA 1.864 57.757 55.803 0.149 0.000 0.840 966 Q CB -0.218 28.483 28.738 -0.061 0.000 0.898 966 Q HN 0.799 nan 8.270 nan 0.000 0.430 967 E N 0.030 120.281 120.200 0.085 0.000 2.047 967 E HA -0.144 4.206 4.350 0.001 0.000 0.191 967 E C 1.923 178.541 176.600 0.030 0.000 0.987 967 E CA 0.942 57.374 56.400 0.053 0.000 0.799 967 E CB -0.119 29.630 29.700 0.082 0.000 0.752 967 E HN 0.316 nan 8.360 nan 0.000 0.449 968 I N 1.288 121.895 120.570 0.062 0.000 2.163 968 I HA -0.319 3.851 4.170 0.001 0.000 0.243 968 I C 2.561 178.716 176.117 0.062 0.000 1.085 968 I CA 1.137 62.460 61.300 0.040 0.000 1.347 968 I CB -0.389 37.649 38.000 0.064 0.000 1.044 968 I HN 0.101 nan 8.210 nan 0.000 0.408 969 A N 0.591 123.500 122.820 0.149 0.000 1.986 969 A HA -0.193 4.128 4.320 0.001 0.000 0.220 969 A C 2.412 180.077 177.584 0.135 0.000 1.171 969 A CA 2.010 54.167 52.037 0.200 0.000 0.640 969 A CB -0.747 18.547 19.000 0.490 0.000 0.811 969 A HN 0.486 nan 8.150 nan 0.000 0.451 970 A N -1.094 121.781 122.820 0.092 0.000 2.169 970 A HA 0.561 4.881 4.320 0.001 0.000 0.212 970 A C 1.269 178.863 177.584 0.016 0.000 1.153 970 A CA 0.840 52.907 52.037 0.050 0.000 0.756 970 A CB -0.509 18.508 19.000 0.027 0.000 0.813 970 A HN 1.008 nan 8.150 nan 0.000 0.471 971 A N -0.558 122.258 122.820 -0.006 0.000 2.274 971 A HA 0.550 4.871 4.320 0.001 0.000 0.309 971 A C 1.301 178.866 177.584 -0.032 0.000 1.226 971 A CA 0.056 52.067 52.037 -0.042 0.000 0.853 971 A CB 0.637 19.582 19.000 -0.090 0.000 1.146 971 A HN 0.501 nan 8.150 nan 0.000 0.518 972 G N 0.747 109.529 108.800 -0.031 0.000 2.430 972 G HA2 0.239 4.199 3.960 0.001 0.000 0.216 972 G HA3 0.239 4.199 3.960 0.001 0.000 0.216 972 G C 0.408 175.144 174.900 -0.274 0.000 1.146 972 G CA 0.810 45.870 45.100 -0.066 0.000 0.793 972 G HN 0.816 nan 8.290 nan 0.000 0.537 973 H N -1.980 117.020 119.070 -0.116 0.000 2.895 973 H HA 0.379 4.936 4.556 0.001 0.000 0.373 973 H C -1.914 173.303 175.328 -0.185 0.000 1.174 973 H CA -1.735 54.240 56.048 -0.122 0.000 1.144 973 H CB 1.861 31.427 29.762 -0.327 0.000 1.793 973 H HN -0.226 nan 8.280 nan 0.000 0.551 974 P HA -0.241 nan 4.420 nan 0.000 0.216 974 P C 1.345 178.635 177.300 -0.018 0.000 1.153 974 P CA 1.714 64.843 63.100 0.047 0.000 0.858 974 P CB 0.069 31.847 31.700 0.131 0.000 0.789 975 H N -0.411 118.658 119.070 -0.003 0.000 2.545 975 H HA 0.032 4.588 4.556 0.001 0.000 0.282 975 H C 0.973 176.250 175.328 -0.085 0.000 1.020 975 H CA 0.923 56.934 56.048 -0.061 0.000 1.243 975 H CB -0.617 29.066 29.762 -0.131 0.000 1.377 975 H HN 0.250 nan 8.280 nan 0.000 0.581 976 E N 0.930 120.805 120.200 -0.541 0.000 2.481 976 E HA 0.159 4.509 4.350 0.001 0.000 0.195 976 E C 0.291 176.786 176.600 -0.174 0.000 1.047 976 E CA -0.298 55.897 56.400 -0.342 0.000 0.867 976 E CB 0.378 29.870 29.700 -0.347 0.000 0.858 976 E HN 0.398 nan 8.360 nan 0.000 0.513 977 L N 3.009 124.130 121.223 -0.170 0.000 2.426 977 L HA 0.155 4.495 4.340 0.001 0.000 0.271 977 L C -1.685 175.143 176.870 -0.071 0.000 1.169 977 L CA -1.783 52.924 54.840 -0.221 0.000 0.836 977 L CB -0.078 41.703 42.059 -0.465 0.000 1.112 977 L HN -0.051 nan 8.230 nan 0.000 0.465 978 P HA 0.071 nan 4.420 nan 0.000 0.272 978 P C -0.636 176.793 177.300 0.215 0.000 1.240 978 P CA -0.517 62.644 63.100 0.102 0.000 0.791 978 P CB 0.213 31.983 31.700 0.116 0.000 0.978 979 T N 2.731 117.370 114.554 0.141 0.000 2.871 979 T HA 0.130 4.481 4.350 0.001 0.000 0.296 979 T C -1.986 172.791 174.700 0.128 0.000 0.998 979 T CA -0.287 61.887 62.100 0.122 0.000 1.162 979 T CB -1.066 67.840 68.868 0.062 0.000 0.947 979 T HN 0.357 nan 8.240 nan 0.000 0.536 980 P HA 0.125 nan 4.420 nan 0.000 0.266 980 P C 0.408 177.687 177.300 -0.035 0.000 1.195 980 P CA -0.199 62.877 63.100 -0.041 0.000 0.768 980 P CB 0.567 32.174 31.700 -0.156 0.000 0.838 981 S N 0.219 115.903 115.700 -0.027 0.000 2.559 981 S HA 0.149 4.619 4.470 0.001 0.000 0.226 981 S C 0.465 174.802 174.600 -0.439 0.000 1.030 981 S CA -0.007 58.099 58.200 -0.157 0.000 0.956 981 S CB -0.107 63.050 63.200 -0.073 0.000 0.900 981 S HN 0.459 nan 8.310 nan 0.000 0.510 982 H N 0.287 119.263 119.070 -0.157 0.000 2.985 982 H HA 0.589 5.146 4.556 0.001 0.000 0.360 982 H C -1.115 173.963 175.328 -0.417 0.000 1.221 982 H CA -0.637 55.189 56.048 -0.370 0.000 1.121 982 H CB 1.847 31.177 29.762 -0.720 0.000 1.854 982 H HN 0.089 nan 8.280 nan 0.000 0.551 983 S N 0.552 116.106 115.700 -0.245 0.000 2.565 983 S HA 0.465 4.935 4.470 0.001 0.000 0.290 983 S C -1.043 173.353 174.600 -0.340 0.000 1.150 983 S CA -0.549 57.545 58.200 -0.177 0.000 1.058 983 S CB 0.575 63.749 63.200 -0.043 0.000 1.032 983 S HN 0.302 nan 8.310 nan 0.000 0.510 984 Y N 1.504 121.886 120.300 0.136 0.000 2.350 984 Y HA 0.533 5.083 4.550 0.001 0.000 0.338 984 Y C -0.369 175.626 175.900 0.157 0.000 0.961 984 Y CA -0.922 57.236 58.100 0.097 0.000 1.100 984 Y CB 1.224 39.732 38.460 0.079 0.000 1.179 984 Y HN 0.443 nan 8.280 nan 0.000 0.454 985 L N 4.699 126.086 121.223 0.274 0.000 2.272 985 L HA 0.517 4.858 4.340 0.001 0.000 0.289 985 L C -1.772 175.264 176.870 0.276 0.000 1.032 985 L CA -0.737 54.297 54.840 0.324 0.000 0.810 985 L CB 0.114 42.337 42.059 0.274 0.000 1.205 985 L HN 0.459 nan 8.230 nan 0.000 0.422 986 Y N 4.218 124.708 120.300 0.315 0.000 2.331 986 Y HA 0.543 5.093 4.550 0.001 0.000 0.338 986 Y C -0.141 175.920 175.900 0.269 0.000 0.992 986 Y CA -0.646 57.601 58.100 0.245 0.000 1.121 986 Y CB 1.827 40.373 38.460 0.143 0.000 1.184 986 Y HN 0.289 nan 8.280 nan 0.000 0.469 987 V N 4.571 124.719 119.914 0.390 0.000 2.328 987 V HA 0.254 4.375 4.120 0.001 0.000 0.278 987 V C -0.653 175.577 176.094 0.227 0.000 1.021 987 V CA -0.825 61.665 62.300 0.317 0.000 0.838 987 V CB 0.897 32.916 31.823 0.328 0.000 0.999 987 V HN 0.650 nan 8.190 nan 0.000 0.447 988 D N 3.682 124.210 120.400 0.214 0.000 2.233 988 D HA 0.483 5.123 4.640 0.001 0.000 0.240 988 D C 0.872 177.245 176.300 0.121 0.000 1.074 988 D CA -0.193 53.890 54.000 0.138 0.000 0.838 988 D CB 2.344 43.202 40.800 0.096 0.000 1.124 988 D HN 0.514 nan 8.370 nan 0.000 0.475 989 A N 2.041 124.905 122.820 0.074 0.000 1.969 989 A HA 0.304 4.625 4.320 0.001 0.000 0.218 989 A C 0.864 178.486 177.584 0.064 0.000 1.169 989 A CA 1.311 53.389 52.037 0.068 0.000 0.635 989 A CB 0.166 19.195 19.000 0.049 0.000 0.810 989 A HN 0.589 nan 8.150 nan 0.000 0.445 990 A N -1.319 121.522 122.820 0.035 0.000 2.574 990 A HA 0.652 4.972 4.320 0.001 0.000 0.297 990 A C -1.160 176.388 177.584 -0.059 0.000 1.062 990 A CA -0.584 51.464 52.037 0.019 0.000 0.686 990 A CB 1.119 20.152 19.000 0.055 0.000 1.285 990 A HN 0.141 nan 8.150 nan 0.000 0.403 991 Q N 0.703 120.449 119.800 -0.091 0.000 2.375 991 Q HA 0.306 4.646 4.340 0.001 0.000 0.271 991 Q C -1.230 174.819 176.000 0.082 0.000 1.074 991 Q CA -0.692 55.049 55.803 -0.104 0.000 0.808 991 Q CB 2.217 30.760 28.738 -0.325 0.000 1.327 991 Q HN 0.913 nan 8.270 nan 0.000 0.441 992 H N 0.281 119.358 119.070 0.011 0.000 2.790 992 H HA 0.291 4.847 4.556 0.001 0.000 0.358 992 H C 0.433 175.831 175.328 0.118 0.000 1.103 992 H CA 0.938 57.038 56.048 0.088 0.000 1.426 992 H CB 0.745 30.578 29.762 0.117 0.000 1.424 992 H HN 0.764 nan 8.280 nan 0.000 0.599 993 G N 2.758 111.360 108.800 -0.329 0.000 2.631 993 G HA2 0.159 4.119 3.960 0.001 0.000 0.271 993 G HA3 0.159 4.119 3.960 0.001 0.000 0.271 993 G C 0.674 175.378 174.900 -0.327 0.000 1.302 993 G CA -0.147 44.826 45.100 -0.212 0.000 1.002 993 G HN 0.662 nan 8.290 nan 0.000 0.519 994 L N 0.052 121.158 121.223 -0.194 0.000 2.349 994 L HA 0.305 4.646 4.340 0.001 0.000 0.200 994 L C 2.032 178.826 176.870 -0.127 0.000 1.064 994 L CA 0.755 55.470 54.840 -0.208 0.000 0.821 994 L CB -0.980 40.946 42.059 -0.222 0.000 1.027 994 L HN 0.964 nan 8.230 nan 0.000 0.476 995 G N 0.994 109.763 108.800 -0.052 0.000 2.575 995 G HA2 -0.335 3.625 3.960 0.001 0.000 0.267 995 G HA3 -0.335 3.625 3.960 0.001 0.000 0.267 995 G C 0.262 175.150 174.900 -0.021 0.000 1.264 995 G CA 0.229 45.336 45.100 0.012 0.000 0.935 995 G HN 0.577 nan 8.290 nan 0.000 0.568 996 S N -1.983 113.695 115.700 -0.037 0.000 2.924 996 S HA 0.383 4.854 4.470 0.001 0.000 0.244 996 S C 0.913 175.435 174.600 -0.129 0.000 0.842 996 S CA 0.842 59.007 58.200 -0.057 0.000 1.086 996 S CB 0.708 63.908 63.200 -0.001 0.000 1.295 996 S HN 0.892 nan 8.310 nan 0.000 0.500 997 R N 1.165 121.589 120.500 -0.126 0.000 2.241 997 R HA 0.079 4.420 4.340 0.001 0.000 0.224 997 R C 2.123 178.348 176.300 -0.124 0.000 1.101 997 R CA 1.178 57.195 56.100 -0.140 0.000 0.995 997 R CB -0.482 29.757 30.300 -0.101 0.000 0.870 997 R HN 0.628 nan 8.270 nan 0.000 0.463 998 A N -0.237 122.513 122.820 -0.117 0.000 1.978 998 A HA -0.168 4.152 4.320 0.001 0.000 0.220 998 A C 1.120 178.593 177.584 -0.185 0.000 1.170 998 A CA 1.424 53.418 52.037 -0.070 0.000 0.636 998 A CB -0.207 18.746 19.000 -0.077 0.000 0.810 998 A HN 0.454 nan 8.150 nan 0.000 0.448 999 C N -1.585 117.454 119.300 -0.434 0.000 3.280 999 C HA 0.590 5.050 4.460 0.001 0.000 0.334 999 C C 0.100 174.698 174.990 -0.653 0.000 0.977 999 C CA 0.294 58.910 59.018 -0.671 0.000 1.264 999 C CB -0.475 26.490 27.740 -1.292 0.000 1.688 999 C HN 1.576 nan 8.230 nan 0.000 0.592 1000 G N 5.018 113.530 108.800 -0.480 0.000 2.362 1000 G HA2 0.287 4.248 3.960 0.001 0.000 0.288 1000 G HA3 0.287 4.248 3.960 0.001 0.000 0.288 1000 G C -3.530 170.669 174.900 -1.169 0.000 1.305 1000 G CA -0.692 43.951 45.100 -0.762 0.000 0.910 1000 G HN 0.302 nan 8.290 nan 0.000 0.518 1001 P HA 0.258 nan 4.420 nan 0.000 0.269 1001 P C -0.230 176.901 177.300 -0.281 0.000 1.209 1001 P CA -0.054 62.632 63.100 -0.690 0.000 0.776 1001 P CB 0.605 32.242 31.700 -0.105 0.000 0.876 1002 D N 1.229 121.455 120.400 -0.291 0.000 2.354 1002 D HA -0.030 4.611 4.640 0.001 0.000 0.238 1002 D C -0.270 176.139 176.300 0.181 0.000 1.250 1002 D CA -0.012 53.926 54.000 -0.104 0.000 0.911 1002 D CB 0.442 41.104 40.800 -0.230 0.000 1.163 1002 D HN -0.041 nan 8.370 nan 0.000 0.456 1003 V N 2.865 122.894 119.914 0.191 0.000 2.644 1003 V HA -0.143 3.978 4.120 0.001 0.000 0.305 1003 V C 0.650 177.021 176.094 0.463 0.000 1.053 1003 V CA -0.060 62.395 62.300 0.257 0.000 1.186 1003 V CB 0.010 31.881 31.823 0.081 0.000 0.895 1003 V HN 0.439 nan 8.190 nan 0.000 0.490 1004 W N 7.495 128.973 121.300 0.297 0.000 2.223 1004 W HA 0.108 4.769 4.660 0.001 0.000 0.334 1004 W C -1.680 174.911 176.519 0.120 0.000 1.334 1004 W CA -1.778 55.686 57.345 0.199 0.000 1.246 1004 W CB 1.147 30.746 29.460 0.232 0.000 1.184 1004 W HN 0.567 nan 8.180 nan 0.000 0.563 1005 P HA -0.230 nan 4.420 nan 0.000 0.217 1005 P C 0.876 178.011 177.300 -0.275 0.000 1.148 1005 P CA 1.996 64.879 63.100 -0.362 0.000 0.828 1005 P CB 0.202 31.575 31.700 -0.545 0.000 0.783 1006 D N -1.826 118.328 120.400 -0.409 0.000 2.271 1006 D HA -0.140 4.501 4.640 0.001 0.000 0.207 1006 D C 0.947 176.883 176.300 -0.606 0.000 0.983 1006 D CA 1.148 54.813 54.000 -0.559 0.000 0.878 1006 D CB -0.603 39.667 40.800 -0.885 0.000 0.920 1006 D HN 0.355 nan 8.370 nan 0.000 0.479 1007 F N -0.610 119.414 119.950 0.122 0.000 2.729 1007 F HA 0.422 4.949 4.527 0.001 0.000 0.315 1007 F C 0.760 176.606 175.800 0.077 0.000 1.102 1007 F CA -0.604 57.459 58.000 0.105 0.000 1.204 1007 F CB 0.496 39.570 39.000 0.122 0.000 1.052 1007 F HN -0.210 nan 8.300 nan 0.000 0.551 1008 A N 1.415 124.360 122.820 0.208 0.000 2.309 1008 A HA 0.578 4.898 4.320 0.001 0.000 0.298 1008 A C -0.844 176.921 177.584 0.302 0.000 1.165 1008 A CA -0.443 51.785 52.037 0.318 0.000 0.821 1008 A CB 0.631 19.812 19.000 0.301 0.000 1.102 1008 A HN 0.211 nan 8.150 nan 0.000 0.500 1009 L N 3.469 124.977 121.223 0.476 0.000 2.278 1009 L HA 0.435 4.776 4.340 0.001 0.000 0.287 1009 L C 0.066 176.965 176.870 0.048 0.000 1.072 1009 L CA 0.211 55.181 54.840 0.216 0.000 0.819 1009 L CB 0.204 42.407 42.059 0.240 0.000 1.176 1009 L HN 0.668 nan 8.230 nan 0.000 0.435 1010 R N 4.804 125.270 120.500 -0.057 0.000 2.787 1010 R HA 0.551 4.891 4.340 0.001 0.000 0.271 1010 R C -2.448 173.591 176.300 -0.434 0.000 0.993 1010 R CA -2.325 53.643 56.100 -0.220 0.000 0.993 1010 R CB 0.861 31.068 30.300 -0.155 0.000 1.155 1010 R HN 0.406 nan 8.270 nan 0.000 0.486 1011 P HA -0.059 nan 4.420 nan 0.000 0.261 1011 P C -0.609 176.344 177.300 -0.578 0.000 1.173 1011 P CA 0.687 62.991 63.100 -1.327 0.000 0.760 1011 P CB 0.382 31.305 31.700 -1.295 0.000 0.783 1012 E N 1.326 121.291 120.200 -0.391 0.000 2.423 1012 E HA 0.704 5.054 4.350 0.001 0.000 0.280 1012 E C -1.608 174.989 176.600 -0.005 0.000 1.030 1012 E CA -1.435 54.887 56.400 -0.129 0.000 0.812 1012 E CB 1.186 30.844 29.700 -0.071 0.000 1.313 1012 E HN 0.246 nan 8.360 nan 0.000 0.456 1013 A N 1.662 124.492 122.820 0.016 0.000 2.327 1013 A HA 0.681 5.001 4.320 0.001 0.000 0.283 1013 A C -0.439 177.171 177.584 0.043 0.000 1.127 1013 A CA -0.580 51.486 52.037 0.049 0.000 0.810 1013 A CB 0.472 19.498 19.000 0.044 0.000 1.066 1013 A HN 0.461 nan 8.150 nan 0.000 0.492 1014 R N 0.504 121.032 120.500 0.047 0.000 2.808 1014 R HA 0.694 5.035 4.340 0.001 0.000 0.272 1014 R C -1.237 175.081 176.300 0.029 0.000 0.995 1014 R CA -0.503 55.620 56.100 0.038 0.000 0.917 1014 R CB 1.829 32.154 30.300 0.043 0.000 1.217 1014 R HN 0.697 nan 8.270 nan 0.000 0.471 1015 T N 1.803 116.374 114.554 0.028 0.000 2.841 1015 T HA 0.581 4.931 4.350 0.001 0.000 0.283 1015 T C -0.285 174.429 174.700 0.024 0.000 1.000 1015 T CA -0.575 61.537 62.100 0.021 0.000 0.977 1015 T CB 1.441 70.322 68.868 0.022 0.000 0.979 1015 T HN 0.191 nan 8.240 nan 0.000 0.446 1016 L N 3.123 124.355 121.223 0.015 0.000 2.322 1016 L HA 0.571 4.912 4.340 0.001 0.000 0.281 1016 L C -0.143 176.733 176.870 0.011 0.000 1.014 1016 L CA -0.825 54.030 54.840 0.025 0.000 0.815 1016 L CB 1.466 43.546 42.059 0.034 0.000 1.247 1016 L HN 0.426 nan 8.230 nan 0.000 0.421 1017 K N 5.245 125.658 120.400 0.021 0.000 2.521 1017 K HA 0.631 4.952 4.320 0.001 0.000 0.248 1017 K C -1.283 175.324 176.600 0.012 0.000 0.978 1017 K CA -0.192 56.101 56.287 0.009 0.000 0.947 1017 K CB 1.453 33.964 32.500 0.019 0.000 1.165 1017 K HN 0.394 nan 8.250 nan 0.000 0.445 1018 L N 2.376 123.592 121.223 -0.012 0.000 2.342 1018 L HA 0.609 4.949 4.340 0.001 0.000 0.271 1018 L C -0.200 176.653 176.870 -0.028 0.000 1.008 1018 L CA -1.119 53.712 54.840 -0.015 0.000 0.818 1018 L CB 1.955 44.000 42.059 -0.023 0.000 1.296 1018 L HN 0.382 nan 8.230 nan 0.000 0.427 1019 R N 2.592 123.077 120.500 -0.025 0.000 2.480 1019 R HA 0.682 5.023 4.340 0.001 0.000 0.306 1019 R C -1.275 174.990 176.300 -0.060 0.000 0.958 1019 R CA -0.588 55.496 56.100 -0.027 0.000 0.861 1019 R CB 2.303 32.594 30.300 -0.014 0.000 1.171 1019 R HN 0.489 nan 8.270 nan 0.000 0.445 1020 I N 2.009 122.544 120.570 -0.058 0.000 2.433 1020 I HA 0.349 4.520 4.170 0.001 0.000 0.292 1020 I C -0.124 175.929 176.117 -0.106 0.000 1.001 1020 I CA -0.319 60.911 61.300 -0.116 0.000 1.119 1020 I CB 2.044 39.975 38.000 -0.115 0.000 1.289 1020 I HN 0.689 nan 8.210 nan 0.000 0.438 1021 S N 5.442 121.042 115.700 -0.168 0.000 2.607 1021 S HA 0.697 5.168 4.470 0.001 0.000 0.273 1021 S C -3.089 171.378 174.600 -0.222 0.000 1.148 1021 S CA -1.692 56.416 58.200 -0.153 0.000 0.833 1021 S CB 2.053 65.178 63.200 -0.125 0.000 1.130 1021 S HN 0.160 nan 8.310 nan 0.000 0.470 1022 P HA 0.437 nan 4.420 nan 0.000 0.271 1022 P C -0.259 176.937 177.300 -0.174 0.000 1.216 1022 P CA -0.100 62.885 63.100 -0.192 0.000 0.771 1022 P CB 0.421 32.063 31.700 -0.096 0.000 0.864 1023 A N 0.000 122.709 122.820 -0.185 0.000 2.254 1023 A HA 0.000 4.321 4.320 0.001 0.000 0.244 1023 A CA 0.000 51.947 52.037 -0.151 0.000 0.836 1023 A CB 0.000 18.927 19.000 -0.122 0.000 0.831 1023 A HN 0.000 nan 8.150 nan 0.000 0.486