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_F 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 0.000 177.648 177.584 0.106 0.000 1.274 4 A CA 0.000 52.099 52.037 0.103 0.000 0.836 4 A CB 0.000 19.083 19.000 0.138 0.000 0.831 5 D N 1.399 121.873 120.400 0.123 0.000 2.274 5 D HA 0.390 5.029 4.640 -0.001 0.000 0.239 5 D C 0.612 177.024 176.300 0.187 0.000 1.104 5 D CA 0.258 54.327 54.000 0.116 0.000 0.840 5 D CB 1.648 42.503 40.800 0.092 0.000 1.100 5 D HN 0.922 nan 8.370 nan 0.000 0.477 6 V N 1.724 121.708 119.914 0.117 0.000 3.271 6 V HA 0.076 4.195 4.120 -0.001 0.000 0.327 6 V C 1.671 177.688 176.094 -0.127 0.000 1.389 6 V CA 0.384 62.706 62.300 0.037 0.000 1.156 6 V CB -0.428 31.371 31.823 -0.039 0.000 1.103 6 V HN 0.500 nan 8.190 nan 0.000 0.453 7 S N 0.875 116.568 115.700 -0.010 0.000 2.469 7 S HA -0.242 4.227 4.470 -0.001 0.000 0.238 7 S C 1.812 176.375 174.600 -0.061 0.000 0.998 7 S CA 1.317 59.488 58.200 -0.048 0.000 0.957 7 S CB -1.085 62.108 63.200 -0.012 0.000 0.764 7 S HN 0.957 nan 8.310 nan 0.000 0.514 8 Y N 1.111 121.387 120.300 -0.040 0.000 2.256 8 Y HA 0.055 4.605 4.550 0.001 0.000 0.288 8 Y C 2.018 177.886 175.900 -0.054 0.000 1.155 8 Y CA 0.655 58.724 58.100 -0.052 0.000 1.203 8 Y CB -0.795 37.634 38.460 -0.052 0.000 0.980 8 Y HN 0.271 nan 8.280 nan 0.000 0.530 9 L N 1.417 122.200 121.223 -0.733 0.000 2.083 9 L HA -0.090 4.249 4.340 -0.001 0.000 0.209 9 L C 2.076 178.806 176.870 -0.234 0.000 1.083 9 L CA 2.523 57.010 54.840 -0.589 0.000 0.752 9 L CB -0.885 40.743 42.059 -0.718 0.000 0.899 9 L HN 0.631 nan 8.230 nan 0.000 0.433 10 T N -4.914 109.524 114.554 -0.193 0.000 3.040 10 T HA 0.102 4.452 4.350 -0.001 0.000 0.266 10 T C 0.682 175.275 174.700 -0.178 0.000 1.005 10 T CA -0.461 61.551 62.100 -0.146 0.000 0.906 10 T CB -0.513 68.264 68.868 -0.150 0.000 1.082 10 T HN 0.257 nan 8.240 nan 0.000 0.531 11 D N 1.876 122.190 120.400 -0.143 0.000 2.533 11 D HA -0.015 4.624 4.640 -0.001 0.000 0.236 11 D C 0.486 176.656 176.300 -0.218 0.000 1.137 11 D CA 0.416 54.321 54.000 -0.158 0.000 0.867 11 D CB 0.937 41.691 40.800 -0.076 0.000 1.170 11 D HN 0.409 nan 8.370 nan 0.000 0.474 12 Q N 1.851 121.428 119.800 -0.372 0.000 2.360 12 Q HA 0.170 4.509 4.340 -0.001 0.000 0.202 12 Q C 0.980 176.811 176.000 -0.281 0.000 0.915 12 Q CA -0.250 55.196 55.803 -0.596 0.000 0.943 12 Q CB 0.884 28.938 28.738 -1.140 0.000 1.064 12 Q HN 0.485 nan 8.270 nan 0.000 0.511 13 G N 1.274 109.974 108.800 -0.168 0.000 2.621 13 G HA2 0.117 4.077 3.960 -0.001 0.000 0.271 13 G HA3 0.117 4.077 3.960 -0.001 0.000 0.271 13 G C -1.724 173.155 174.900 -0.035 0.000 1.236 13 G CA -0.951 44.095 45.100 -0.090 0.000 0.958 13 G HN -0.012 nan 8.290 nan 0.000 0.512 14 P HA 0.155 nan 4.420 nan 0.000 0.226 14 P C 0.806 178.082 177.300 -0.041 0.000 1.153 14 P CA 1.370 64.448 63.100 -0.038 0.000 0.777 14 P CB 0.310 31.967 31.700 -0.072 0.000 0.794 15 G N -0.820 107.956 108.800 -0.040 0.000 2.359 15 G HA2 0.315 4.274 3.960 -0.001 0.000 0.303 15 G HA3 0.315 4.274 3.960 -0.001 0.000 0.303 15 G C -1.269 173.613 174.900 -0.030 0.000 1.293 15 G CA -0.114 44.962 45.100 -0.040 0.000 0.964 15 G HN 0.413 nan 8.290 nan 0.000 0.531 16 S N -1.547 114.149 115.700 -0.007 0.000 2.656 16 S HA 1.064 5.533 4.470 -0.001 0.000 0.273 16 S C 0.653 175.281 174.600 0.046 0.000 1.168 16 S CA 0.662 58.860 58.200 -0.003 0.000 0.817 16 S CB 1.381 64.562 63.200 -0.032 0.000 1.146 16 S HN 3.130 nan 8.310 nan 0.000 0.475 17 G N 1.347 110.161 108.800 0.023 0.000 2.484 17 G HA2 -0.145 3.815 3.960 -0.001 0.000 0.225 17 G HA3 -0.145 3.815 3.960 -0.001 0.000 0.225 17 G C -0.692 174.270 174.900 0.103 0.000 1.250 17 G CA -0.355 44.769 45.100 0.040 0.000 0.926 17 G HN 0.946 nan 8.290 nan 0.000 0.581 18 R N 1.243 121.846 120.500 0.172 0.000 4.496 18 R HA 0.231 4.570 4.340 -0.001 0.000 0.211 18 R C 0.652 177.076 176.300 0.206 0.000 1.738 18 R CA -0.146 56.054 56.100 0.167 0.000 1.528 18 R CB -0.082 30.308 30.300 0.150 0.000 1.414 18 R HN 0.344 nan 8.270 nan 0.000 0.812 19 R N 0.411 120.965 120.500 0.089 0.000 2.438 19 R HA 0.185 4.524 4.340 -0.001 0.000 0.287 19 R C -0.043 176.208 176.300 -0.081 0.000 1.077 19 R CA -0.332 55.714 56.100 -0.089 0.000 1.034 19 R CB 1.040 31.260 30.300 -0.133 0.000 0.993 19 R HN -0.003 nan 8.270 nan 0.000 0.459 20 V N 4.816 124.648 119.914 -0.135 0.000 2.539 20 V HA 0.217 4.337 4.120 -0.001 0.000 0.292 20 V C -1.836 174.197 176.094 -0.101 0.000 1.045 20 V CA -1.987 60.261 62.300 -0.087 0.000 0.945 20 V CB 1.457 33.236 31.823 -0.073 0.000 0.993 20 V HN 0.676 nan 8.190 nan 0.000 0.464 21 P HA 0.225 nan 4.420 nan 0.000 0.269 21 P C -0.387 176.869 177.300 -0.074 0.000 1.209 21 P CA -0.055 63.005 63.100 -0.067 0.000 0.776 21 P CB 0.410 32.089 31.700 -0.035 0.000 0.876 22 A N 3.529 126.297 122.820 -0.086 0.000 2.498 22 A HA 0.440 4.760 4.320 -0.001 0.000 0.239 22 A C 0.608 178.154 177.584 -0.063 0.000 1.068 22 A CA 0.274 52.255 52.037 -0.093 0.000 0.766 22 A CB -0.178 18.745 19.000 -0.127 0.000 1.003 22 A HN 0.733 nan 8.150 nan 0.000 0.497 23 R N 0.434 120.897 120.500 -0.061 0.000 2.766 23 R HA 0.607 4.946 4.340 -0.001 0.000 0.270 23 R C -0.773 175.503 176.300 -0.040 0.000 1.035 23 R CA -0.685 55.386 56.100 -0.048 0.000 0.911 23 R CB 0.521 30.797 30.300 -0.041 0.000 1.243 23 R HN 0.459 nan 8.270 nan 0.000 0.460 24 S N 0.154 115.831 115.700 -0.040 0.000 2.573 24 S HA 0.014 4.484 4.470 -0.001 0.000 0.277 24 S C -0.951 173.675 174.600 0.043 0.000 1.346 24 S CA -0.485 57.709 58.200 -0.010 0.000 1.034 24 S CB 0.191 63.369 63.200 -0.037 0.000 0.879 24 S HN 0.485 nan 8.310 nan 0.000 0.528 25 W N 4.150 125.384 121.300 -0.109 0.000 2.388 25 W HA 0.513 5.173 4.660 -0.001 0.000 0.308 25 W C -1.354 175.062 176.519 -0.171 0.000 1.263 25 W CA -0.329 56.936 57.345 -0.134 0.000 1.286 25 W CB -0.061 29.325 29.460 -0.123 0.000 1.294 25 W HN 0.427 nan 8.180 nan 0.000 0.493 26 L N 6.398 127.280 121.223 -0.568 0.000 2.354 26 L HA 0.306 4.645 4.340 -0.001 0.000 0.269 26 L C -0.039 176.357 176.870 -0.790 0.000 1.005 26 L CA -1.313 53.202 54.840 -0.541 0.000 0.819 26 L CB 1.868 43.773 42.059 -0.257 0.000 1.311 26 L HN 0.235 nan 8.230 nan 0.000 0.423 27 H N 1.558 120.366 119.070 -0.437 0.000 2.846 27 H HA 0.263 4.819 4.556 -0.001 0.000 0.278 27 H C -0.338 174.864 175.328 -0.210 0.000 1.117 27 H CA -0.012 55.831 56.048 -0.341 0.000 1.406 27 H CB 1.498 31.122 29.762 -0.231 0.000 1.445 27 H HN 0.464 nan 8.280 nan 0.000 0.469 28 S N 1.817 117.449 115.700 -0.112 0.000 2.600 28 S HA 0.126 4.596 4.470 -0.001 0.000 0.300 28 S C 0.661 175.221 174.600 -0.065 0.000 1.087 28 S CA -0.900 57.247 58.200 -0.089 0.000 0.965 28 S CB 1.353 64.479 63.200 -0.125 0.000 1.089 28 S HN 0.645 nan 8.310 nan 0.000 0.496 29 D N 1.787 122.153 120.400 -0.056 0.000 2.328 29 D HA 0.234 4.873 4.640 -0.001 0.000 0.226 29 D C 0.768 177.030 176.300 -0.063 0.000 1.066 29 D CA -0.088 53.885 54.000 -0.045 0.000 0.861 29 D CB -0.541 40.240 40.800 -0.032 0.000 0.912 29 D HN 0.609 nan 8.370 nan 0.000 0.521 30 A N 1.304 124.066 122.820 -0.097 0.000 2.520 30 A HA 0.333 4.652 4.320 -0.001 0.000 0.235 30 A C -2.078 175.420 177.584 -0.144 0.000 1.065 30 A CA -0.815 51.136 52.037 -0.142 0.000 0.764 30 A CB -0.373 18.519 19.000 -0.180 0.000 1.002 30 A HN 0.098 nan 8.150 nan 0.000 0.502 31 P HA 0.382 nan 4.420 nan 0.000 0.265 31 P C -0.430 176.759 177.300 -0.186 0.000 1.193 31 P CA 0.682 63.690 63.100 -0.153 0.000 0.765 31 P CB 0.820 32.328 31.700 -0.321 0.000 0.823 32 A N 2.800 125.712 122.820 0.153 0.000 2.594 32 A HA 0.753 5.073 4.320 -0.001 0.000 0.295 32 A C -1.608 176.172 177.584 0.326 0.000 1.071 32 A CA -0.601 51.559 52.037 0.204 0.000 0.685 32 A CB 1.071 20.098 19.000 0.046 0.000 1.285 32 A HN 0.454 nan 8.150 nan 0.000 0.405 33 L N -1.040 120.361 121.223 0.296 0.000 2.409 33 L HA 0.917 5.257 4.340 -0.001 0.000 0.262 33 L C -0.160 176.749 176.870 0.066 0.000 0.992 33 L CA -0.628 54.304 54.840 0.154 0.000 0.817 33 L CB 1.756 43.873 42.059 0.097 0.000 1.350 33 L HN 0.592 nan 8.230 nan 0.000 0.411 34 S N 1.357 117.084 115.700 0.046 0.000 2.499 34 S HA 0.605 5.074 4.470 -0.001 0.000 0.279 34 S C 0.535 175.136 174.600 0.002 0.000 1.219 34 S CA -0.603 57.614 58.200 0.029 0.000 1.062 34 S CB 0.447 63.683 63.200 0.060 0.000 0.978 34 S HN 0.737 nan 8.310 nan 0.000 0.489 35 L N 3.572 124.787 121.223 -0.015 0.000 2.628 35 L HA 0.248 4.587 4.340 -0.001 0.000 0.229 35 L C 0.323 177.357 176.870 0.274 0.000 1.137 35 L CA -0.387 54.455 54.840 0.003 0.000 0.909 35 L CB -0.487 41.478 42.059 -0.156 0.000 1.137 35 L HN 0.514 nan 8.230 nan 0.000 0.470 36 N N 1.542 120.370 118.700 0.213 0.000 2.374 36 N HA 0.375 5.114 4.740 -0.001 0.000 0.241 36 N C 0.586 176.272 175.510 0.294 0.000 1.262 36 N CA 1.043 54.241 53.050 0.245 0.000 0.880 36 N CB 0.904 39.462 38.487 0.120 0.000 1.105 36 N HN 0.294 nan 8.380 nan 0.000 0.438 37 G N 0.326 109.327 108.800 0.334 0.000 2.356 37 G HA2 -0.014 3.945 3.960 -0.001 0.000 0.266 37 G HA3 -0.014 3.945 3.960 -0.001 0.000 0.266 37 G C -1.954 173.171 174.900 0.374 0.000 1.312 37 G CA -0.747 44.524 45.100 0.285 0.000 0.922 37 G HN 0.427 nan 8.290 nan 0.000 0.480 38 D N 0.508 121.099 120.400 0.319 0.000 2.280 38 D HA 0.513 5.152 4.640 -0.001 0.000 0.243 38 D C -0.761 175.827 176.300 0.480 0.000 1.129 38 D CA 0.348 54.549 54.000 0.335 0.000 0.848 38 D CB 0.811 41.737 40.800 0.210 0.000 1.107 38 D HN 0.278 nan 8.370 nan 0.000 0.471 39 W N 1.649 123.058 121.300 0.183 0.000 2.627 39 W HA 0.348 5.008 4.660 -0.001 0.000 0.339 39 W C 0.809 177.483 176.519 0.258 0.000 1.058 39 W CA -0.902 56.584 57.345 0.235 0.000 1.223 39 W CB 0.710 30.381 29.460 0.351 0.000 1.389 39 W HN -0.072 nan 8.180 nan 0.000 0.541 40 R N 2.118 122.893 120.500 0.458 0.000 2.522 40 R HA 0.217 4.557 4.340 -0.001 0.000 0.284 40 R C -0.979 175.704 176.300 0.639 0.000 1.032 40 R CA 0.018 56.390 56.100 0.455 0.000 1.049 40 R CB -0.114 30.334 30.300 0.247 0.000 0.956 40 R HN 0.472 nan 8.270 nan 0.000 0.422 41 F N 2.934 123.122 119.950 0.397 0.000 2.581 41 F HA 0.429 4.956 4.527 -0.000 0.000 0.311 41 F C -0.871 174.690 175.800 -0.398 0.000 1.113 41 F CA -1.013 56.948 58.000 -0.064 0.000 0.935 41 F CB 1.388 40.167 39.000 -0.369 0.000 1.232 41 F HN 0.524 nan 8.300 nan 0.000 0.445 42 R N 4.943 124.448 120.500 -1.660 0.000 2.771 42 R HA 0.797 5.137 4.340 -0.001 0.000 0.274 42 R C -2.448 172.675 176.300 -1.962 0.000 0.987 42 R CA -1.178 53.880 56.100 -1.736 0.000 0.908 42 R CB 2.060 31.331 30.300 -1.715 0.000 1.213 42 R HN 0.681 nan 8.270 nan 0.000 0.468 43 L N 2.903 123.306 121.223 -1.366 0.000 2.287 43 L HA 0.484 4.823 4.340 -0.001 0.000 0.287 43 L C -1.365 175.172 176.870 -0.555 0.000 1.022 43 L CA -0.596 53.645 54.840 -0.999 0.000 0.814 43 L CB 1.434 43.079 42.059 -0.689 0.000 1.217 43 L HN 0.651 nan 8.230 nan 0.000 0.420 44 L N 6.893 127.849 121.223 -0.444 0.000 2.334 44 L HA 0.563 4.902 4.340 -0.001 0.000 0.275 44 L C -1.441 175.355 176.870 -0.123 0.000 1.036 44 L CA -1.474 53.226 54.840 -0.232 0.000 0.807 44 L CB 1.310 43.266 42.059 -0.172 0.000 1.231 44 L HN 0.496 nan 8.230 nan 0.000 0.438 45 P HA 0.081 nan 4.420 nan 0.000 0.245 45 P C -0.145 177.188 177.300 0.055 0.000 1.206 45 P CA 0.489 63.598 63.100 0.016 0.000 0.781 45 P CB 0.735 32.447 31.700 0.020 0.000 0.994 46 A N -0.508 122.340 122.820 0.046 0.000 2.594 46 A HA 0.708 5.028 4.320 -0.001 0.000 0.291 46 A C -1.188 176.455 177.584 0.099 0.000 1.105 46 A CA -0.585 51.499 52.037 0.079 0.000 0.694 46 A CB 1.049 20.085 19.000 0.060 0.000 1.291 46 A HN 0.010 nan 8.150 nan 0.000 0.410 47 A N 1.693 124.588 122.820 0.125 0.000 2.302 47 A HA 0.660 4.980 4.320 -0.001 0.000 0.295 47 A C -2.568 175.091 177.584 0.125 0.000 1.235 47 A CA -1.385 50.762 52.037 0.183 0.000 0.876 47 A CB -0.610 18.429 19.000 0.064 0.000 1.133 47 A HN 0.443 nan 8.150 nan 0.000 0.533 48 P HA 0.210 nan 4.420 nan 0.000 0.264 48 P C 1.166 178.533 177.300 0.111 0.000 1.183 48 P CA 1.926 65.093 63.100 0.110 0.000 0.763 48 P CB 0.686 32.455 31.700 0.116 0.000 0.807 49 G N 1.252 110.098 108.800 0.077 0.000 2.195 49 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.246 49 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.246 49 G C 0.347 175.271 174.900 0.039 0.000 0.984 49 G CA 0.324 45.466 45.100 0.069 0.000 0.633 49 G HN 0.813 nan 8.290 nan 0.000 0.525 50 T N -1.520 113.049 114.554 0.025 0.000 2.904 50 T HA 0.717 5.067 4.350 -0.001 0.000 0.290 50 T C 1.714 176.418 174.700 0.007 0.000 1.018 50 T CA 0.483 62.583 62.100 0.001 0.000 1.075 50 T CB 1.792 70.651 68.868 -0.016 0.000 0.986 50 T HN 1.419 nan 8.240 nan 0.000 0.523 51 A N 1.827 124.645 122.820 -0.002 0.000 1.940 51 A HA 0.138 4.458 4.320 -0.001 0.000 0.219 51 A C 2.190 179.775 177.584 0.001 0.000 1.176 51 A CA 1.472 53.508 52.037 -0.002 0.000 0.631 51 A CB -1.318 17.675 19.000 -0.011 0.000 0.814 51 A HN 1.136 nan 8.150 nan 0.000 0.446 52 G N -1.925 106.876 108.800 0.001 0.000 3.383 52 G HA2 0.421 4.380 3.960 -0.001 0.000 0.251 52 G HA3 0.421 4.380 3.960 -0.001 0.000 0.251 52 G C 0.453 175.363 174.900 0.016 0.000 1.203 52 G CA 0.701 45.805 45.100 0.007 0.000 0.852 52 G HN 0.931 nan 8.290 nan 0.000 0.531 53 A N -0.200 122.631 122.820 0.018 0.000 2.674 53 A HA 0.593 4.913 4.320 -0.001 0.000 0.286 53 A C 1.837 179.435 177.584 0.023 0.000 0.980 53 A CA 0.562 52.614 52.037 0.025 0.000 1.028 53 A CB 0.042 19.062 19.000 0.034 0.000 1.199 53 A HN 0.286 nan 8.150 nan 0.000 0.499 54 G N 0.367 109.178 108.800 0.018 0.000 2.475 54 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.220 54 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.220 54 G C 0.958 175.869 174.900 0.017 0.000 1.125 54 G CA 1.584 46.694 45.100 0.017 0.000 0.755 54 G HN 0.622 nan 8.290 nan 0.000 0.565 55 S N -0.676 115.033 115.700 0.015 0.000 2.711 55 S HA 0.287 4.756 4.470 -0.001 0.000 0.247 55 S C 1.198 175.804 174.600 0.009 0.000 1.079 55 S CA -0.260 57.947 58.200 0.012 0.000 1.050 55 S CB 1.255 64.461 63.200 0.010 0.000 0.885 55 S HN 0.109 nan 8.310 nan 0.000 0.498 56 V N 1.268 121.189 119.914 0.012 0.000 2.548 56 V HA 0.205 4.325 4.120 -0.001 0.000 0.249 56 V C 0.493 176.583 176.094 -0.007 0.000 1.055 56 V CA 1.266 63.568 62.300 0.003 0.000 1.065 56 V CB -0.142 31.687 31.823 0.010 0.000 0.681 56 V HN 0.497 nan 8.190 nan 0.000 0.462 57 L N 0.694 121.921 121.223 0.007 0.000 2.375 57 L HA 0.438 4.777 4.340 -0.001 0.000 0.268 57 L C -2.018 174.864 176.870 0.020 0.000 1.058 57 L CA -1.935 52.913 54.840 0.014 0.000 0.803 57 L CB 0.758 42.837 42.059 0.033 0.000 1.212 57 L HN 0.075 nan 8.230 nan 0.000 0.451 58 P HA -0.015 nan 4.420 nan 0.000 0.266 58 P C -0.396 176.925 177.300 0.034 0.000 1.195 58 P CA -0.069 63.051 63.100 0.033 0.000 0.768 58 P CB 0.601 32.334 31.700 0.056 0.000 0.838 59 S N 2.113 117.826 115.700 0.022 0.000 2.558 59 S HA 0.270 4.739 4.470 -0.001 0.000 0.293 59 S C 1.573 176.186 174.600 0.021 0.000 1.292 59 S CA 1.087 59.298 58.200 0.019 0.000 1.063 59 S CB -0.896 62.311 63.200 0.011 0.000 0.831 59 S HN 0.902 nan 8.310 nan 0.000 0.499 60 G N 3.170 111.983 108.800 0.022 0.000 2.299 60 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.237 60 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.237 60 G C 0.004 174.927 174.900 0.038 0.000 1.027 60 G CA 0.325 45.438 45.100 0.022 0.000 0.619 60 G HN 0.839 nan 8.290 nan 0.000 0.513 61 E N 2.407 122.641 120.200 0.057 0.000 2.259 61 E HA 0.478 4.828 4.350 -0.001 0.000 0.281 61 E C 1.109 177.743 176.600 0.058 0.000 1.037 61 E CA 0.265 56.718 56.400 0.087 0.000 0.854 61 E CB 0.415 30.198 29.700 0.139 0.000 1.051 61 E HN 0.446 nan 8.360 nan 0.000 0.409 62 T N 0.318 114.901 114.554 0.048 0.000 2.868 62 T HA 0.051 4.401 4.350 -0.001 0.000 0.292 62 T C 1.519 176.233 174.700 0.022 0.000 1.028 62 T CA -0.833 61.285 62.100 0.030 0.000 1.059 62 T CB 1.342 70.222 68.868 0.019 0.000 0.991 62 T HN 0.277 nan 8.240 nan 0.000 0.531 63 V N 1.736 121.670 119.914 0.035 0.000 2.250 63 V HA -0.189 3.930 4.120 -0.001 0.000 0.253 63 V C 2.186 178.299 176.094 0.032 0.000 1.065 63 V CA 2.169 64.501 62.300 0.053 0.000 1.039 63 V CB -0.775 31.099 31.823 0.084 0.000 0.647 63 V HN 0.995 nan 8.190 nan 0.000 0.446 64 E N -0.553 119.646 120.200 -0.003 0.000 2.496 64 E HA 0.209 4.558 4.350 -0.001 0.000 0.202 64 E C 1.832 178.255 176.600 -0.296 0.000 1.021 64 E CA 0.420 56.741 56.400 -0.132 0.000 1.015 64 E CB 0.392 30.104 29.700 0.020 0.000 1.102 64 E HN 0.594 nan 8.360 nan 0.000 0.452 65 G N 1.011 109.704 108.800 -0.178 0.000 2.448 65 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.219 65 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.219 65 G C 1.575 176.281 174.900 -0.323 0.000 1.127 65 G CA 0.342 45.356 45.100 -0.142 0.000 0.766 65 G HN 0.289 nan 8.290 nan 0.000 0.552 66 V N 1.153 120.734 119.914 -0.555 0.000 2.568 66 V HA -0.072 4.047 4.120 -0.001 0.000 0.253 66 V C 3.023 178.683 176.094 -0.723 0.000 1.072 66 V CA 2.264 64.020 62.300 -0.907 0.000 1.084 66 V CB -0.437 31.042 31.823 -0.574 0.000 0.676 66 V HN 0.436 nan 8.190 nan 0.000 0.469 67 A N -0.302 122.055 122.820 -0.772 0.000 2.066 67 A HA 0.385 4.704 4.320 -0.001 0.000 0.218 67 A C 1.435 178.801 177.584 -0.364 0.000 1.157 67 A CA 0.890 52.461 52.037 -0.776 0.000 0.670 67 A CB -0.521 17.561 19.000 -1.530 0.000 0.804 67 A HN 0.799 nan 8.150 nan 0.000 0.453 68 A N 0.083 122.742 122.820 -0.269 0.000 2.440 68 A HA 0.349 4.669 4.320 -0.001 0.000 0.251 68 A C 0.781 178.331 177.584 -0.057 0.000 1.089 68 A CA -0.112 51.856 52.037 -0.115 0.000 0.779 68 A CB 0.115 19.081 19.000 -0.058 0.000 1.022 68 A HN 0.496 nan 8.150 nan 0.000 0.492 69 E N 1.232 121.404 120.200 -0.047 0.000 2.265 69 E HA -0.167 4.182 4.350 -0.001 0.000 0.196 69 E C 1.781 178.358 176.600 -0.037 0.000 0.996 69 E CA 1.469 57.842 56.400 -0.045 0.000 0.832 69 E CB -0.002 29.669 29.700 -0.049 0.000 0.756 69 E HN 0.874 nan 8.360 nan 0.000 0.491 70 S N -0.423 115.263 115.700 -0.024 0.000 2.528 70 S HA -0.079 4.390 4.470 -0.001 0.000 0.219 70 S C 0.617 175.195 174.600 -0.038 0.000 0.985 70 S CA -0.414 57.765 58.200 -0.035 0.000 0.914 70 S CB -0.326 62.853 63.200 -0.035 0.000 0.776 70 S HN 0.226 nan 8.310 nan 0.000 0.526 71 Y N 3.472 123.693 120.300 -0.132 0.000 2.810 71 Y HA 0.144 4.693 4.550 -0.002 0.000 0.332 71 Y C 0.075 175.862 175.900 -0.189 0.000 1.243 71 Y CA 0.076 58.082 58.100 -0.157 0.000 1.537 71 Y CB 0.226 38.569 38.460 -0.195 0.000 1.265 71 Y HN 0.114 nan 8.280 nan 0.000 0.572 72 D N 5.098 125.078 120.400 -0.699 0.000 2.428 72 D HA 0.077 4.716 4.640 -0.001 0.000 0.221 72 D C -0.463 175.508 176.300 -0.548 0.000 1.123 72 D CA -0.505 53.208 54.000 -0.479 0.000 0.869 72 D CB 0.293 40.879 40.800 -0.357 0.000 1.032 72 D HN 0.637 nan 8.370 nan 0.000 0.506 73 D N 2.146 122.287 120.400 -0.432 0.000 2.463 73 D HA 0.121 4.761 4.640 -0.001 0.000 0.224 73 D C 1.310 177.425 176.300 -0.308 0.000 1.174 73 D CA -0.383 53.199 54.000 -0.698 0.000 0.829 73 D CB 0.198 40.300 40.800 -1.162 0.000 0.993 73 D HN 0.227 nan 8.370 nan 0.000 0.497 74 A N 0.660 123.391 122.820 -0.148 0.000 2.019 74 A HA 0.116 4.435 4.320 -0.001 0.000 0.219 74 A C 2.199 179.816 177.584 0.054 0.000 1.164 74 A CA 1.454 53.466 52.037 -0.043 0.000 0.644 74 A CB -0.425 18.546 19.000 -0.047 0.000 0.805 74 A HN 0.395 nan 8.150 nan 0.000 0.449 75 A N -2.018 120.876 122.820 0.123 0.000 2.251 75 A HA 0.297 4.616 4.320 -0.001 0.000 0.209 75 A C 0.182 177.959 177.584 0.321 0.000 1.187 75 A CA -0.408 51.742 52.037 0.188 0.000 0.823 75 A CB -0.303 18.789 19.000 0.155 0.000 0.846 75 A HN 0.516 nan 8.150 nan 0.000 0.486 76 W N 1.762 123.083 121.300 0.035 0.000 2.170 76 W HA 0.327 4.988 4.660 0.000 0.000 0.336 76 W C -0.129 176.435 176.519 0.076 0.000 1.283 76 W CA -1.087 56.286 57.345 0.047 0.000 1.224 76 W CB 0.152 29.642 29.460 0.051 0.000 1.132 76 W HN 0.175 nan 8.180 nan 0.000 0.571 77 D N 0.364 120.929 120.400 0.275 0.000 2.354 77 D HA 0.103 4.743 4.640 -0.001 0.000 0.238 77 D C 0.546 177.035 176.300 0.315 0.000 1.250 77 D CA 0.485 54.640 54.000 0.259 0.000 0.911 77 D CB 0.341 41.314 40.800 0.288 0.000 1.163 77 D HN 0.261 nan 8.370 nan 0.000 0.456 78 T N -2.134 112.582 114.554 0.270 0.000 2.942 78 T HA 0.673 5.022 4.350 -0.001 0.000 0.289 78 T C -0.591 174.235 174.700 0.210 0.000 1.044 78 T CA -0.927 61.337 62.100 0.273 0.000 1.023 78 T CB 1.448 70.455 68.868 0.232 0.000 1.123 78 T HN 0.199 nan 8.240 nan 0.000 0.512 79 L N 1.504 122.826 121.223 0.165 0.000 2.455 79 L HA 0.631 4.971 4.340 -0.001 0.000 0.264 79 L C -2.849 174.066 176.870 0.074 0.000 0.968 79 L CA -2.090 52.749 54.840 -0.002 0.000 0.827 79 L CB 2.281 44.078 42.059 -0.437 0.000 1.317 79 L HN 0.481 nan 8.230 nan 0.000 0.407 80 P HA 0.221 nan 4.420 nan 0.000 0.268 80 P C -1.352 175.933 177.300 -0.025 0.000 1.205 80 P CA -0.100 63.032 63.100 0.053 0.000 0.771 80 P CB 0.875 32.597 31.700 0.036 0.000 0.858 81 V N 5.621 125.497 119.914 -0.064 0.000 2.483 81 V HA 0.369 4.489 4.120 -0.001 0.000 0.297 81 V C -2.170 173.859 176.094 -0.108 0.000 1.027 81 V CA -1.989 60.160 62.300 -0.250 0.000 0.855 81 V CB 1.977 33.321 31.823 -0.800 0.000 0.995 81 V HN 0.538 nan 8.190 nan 0.000 0.424 82 P HA 0.443 nan 4.420 nan 0.000 0.279 82 P C -0.617 176.609 177.300 -0.123 0.000 1.239 82 P CA 0.065 63.068 63.100 -0.161 0.000 0.789 82 P CB 1.632 33.261 31.700 -0.119 0.000 0.933 83 S N 1.159 116.762 115.700 -0.162 0.000 2.636 83 S HA 0.353 4.823 4.470 -0.001 0.000 0.266 83 S C -1.203 173.253 174.600 -0.240 0.000 1.147 83 S CA -0.928 57.179 58.200 -0.155 0.000 0.815 83 S CB 0.935 64.103 63.200 -0.054 0.000 1.119 83 S HN 0.480 nan 8.310 nan 0.000 0.470 84 H N 0.712 119.770 119.070 -0.019 0.000 2.458 84 H HA 0.271 4.826 4.556 -0.001 0.000 0.330 84 H C 0.287 175.575 175.328 -0.067 0.000 1.111 84 H CA -0.193 55.783 56.048 -0.120 0.000 1.245 84 H CB 0.846 30.492 29.762 -0.193 0.000 1.456 84 H HN 0.946 nan 8.280 nan 0.000 0.488 85 W N 2.994 124.319 121.300 0.042 0.000 2.595 85 W HA -0.022 4.636 4.660 -0.002 0.000 0.257 85 W C 0.981 177.549 176.519 0.082 0.000 1.267 85 W CA 0.579 57.891 57.345 -0.056 0.000 1.300 85 W CB -0.814 28.499 29.460 -0.245 0.000 1.120 85 W HN 0.300 nan 8.180 nan 0.000 0.618 86 V N -1.439 118.521 119.914 0.077 0.000 3.623 86 V HA 0.201 4.320 4.120 -0.001 0.000 0.271 86 V C 0.553 176.599 176.094 -0.080 0.000 1.248 86 V CA 0.252 62.566 62.300 0.022 0.000 1.156 86 V CB -0.869 30.881 31.823 -0.121 0.000 0.870 86 V HN 0.117 nan 8.190 nan 0.000 0.453 87 M N 0.962 120.555 119.600 -0.012 0.000 2.393 87 M HA 0.659 5.138 4.480 -0.001 0.000 0.316 87 M C 0.980 177.289 176.300 0.015 0.000 1.087 87 M CA 0.531 55.807 55.300 -0.040 0.000 0.937 87 M CB 1.032 33.634 32.600 0.003 0.000 1.668 87 M HN 0.405 nan 8.290 nan 0.000 0.438 88 G N 2.175 110.968 108.800 -0.011 0.000 2.160 88 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.251 88 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.251 88 G C 0.203 175.113 174.900 0.017 0.000 1.008 88 G CA 0.086 45.191 45.100 0.009 0.000 0.724 88 G HN 0.642 nan 8.290 nan 0.000 0.514 89 Q N 0.059 119.864 119.800 0.008 0.000 2.112 89 Q HA 0.185 4.525 4.340 -0.001 0.000 0.222 89 Q C 0.371 176.335 176.000 -0.060 0.000 0.798 89 Q CA 0.183 55.985 55.803 -0.003 0.000 1.060 89 Q CB 0.512 29.286 28.738 0.059 0.000 1.184 89 Q HN 0.540 nan 8.270 nan 0.000 0.475 90 D N 1.086 121.455 120.400 -0.052 0.000 2.701 90 D HA -0.201 4.439 4.640 -0.001 0.000 0.235 90 D C 0.948 177.207 176.300 -0.068 0.000 1.155 90 D CA 1.510 55.476 54.000 -0.057 0.000 0.649 90 D CB -1.326 39.447 40.800 -0.045 0.000 1.050 90 D HN 0.633 nan 8.370 nan 0.000 0.425 91 G N 0.029 108.779 108.800 -0.084 0.000 2.168 91 G HA2 -0.472 3.488 3.960 -0.001 0.000 0.263 91 G HA3 -0.472 3.488 3.960 -0.001 0.000 0.263 91 G C 1.037 175.884 174.900 -0.088 0.000 0.977 91 G CA 1.247 46.303 45.100 -0.074 0.000 0.659 91 G HN 0.605 nan 8.290 nan 0.000 0.533 92 K N -0.520 119.769 120.400 -0.186 0.000 2.063 92 K HA -0.050 4.269 4.320 -0.001 0.000 0.208 92 K C 1.100 177.441 176.600 -0.431 0.000 1.048 92 K CA 1.596 57.649 56.287 -0.390 0.000 0.928 92 K CB -0.155 31.951 32.500 -0.657 0.000 0.713 92 K HN 0.563 nan 8.250 nan 0.000 0.442 93 Y N 0.514 120.865 120.300 0.086 0.000 2.781 93 Y HA 0.307 4.856 4.550 -0.002 0.000 0.326 93 Y C 0.560 176.578 175.900 0.198 0.000 1.019 93 Y CA -0.368 57.813 58.100 0.134 0.000 1.372 93 Y CB 0.812 39.395 38.460 0.205 0.000 1.260 93 Y HN 0.327 nan 8.280 nan 0.000 0.546 94 G N 0.890 109.800 108.800 0.183 0.000 2.725 94 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.220 94 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.220 94 G C -0.871 174.058 174.900 0.048 0.000 1.357 94 G CA -1.021 44.165 45.100 0.144 0.000 0.866 94 G HN 0.205 nan 8.290 nan 0.000 0.548 95 R N -0.318 120.175 120.500 -0.011 0.000 2.836 95 R HA 0.634 4.974 4.340 -0.001 0.000 0.269 95 R C -2.533 173.669 176.300 -0.163 0.000 1.010 95 R CA -1.656 54.291 56.100 -0.255 0.000 0.930 95 R CB 1.167 31.255 30.300 -0.353 0.000 1.218 95 R HN 0.445 nan 8.270 nan 0.000 0.473 96 P HA 0.204 nan 4.420 nan 0.000 0.268 96 P C -0.436 177.156 177.300 0.487 0.000 1.208 96 P CA 0.135 63.238 63.100 0.005 0.000 0.777 96 P CB 0.464 31.914 31.700 -0.417 0.000 0.875 97 I N 1.944 122.950 120.570 0.726 0.000 2.436 97 I HA 0.261 4.430 4.170 -0.001 0.000 0.289 97 I C -0.758 175.873 176.117 0.856 0.000 1.010 97 I CA -0.927 60.826 61.300 0.756 0.000 1.098 97 I CB 1.398 39.738 38.000 0.568 0.000 1.266 97 I HN 0.287 nan 8.210 nan 0.000 0.434 98 Y N 6.935 127.472 120.300 0.395 0.000 2.353 98 Y HA 0.576 5.126 4.550 -0.000 0.000 0.340 98 Y C -0.058 175.929 175.900 0.144 0.000 0.972 98 Y CA -0.736 57.330 58.100 -0.056 0.000 1.157 98 Y CB 1.071 39.052 38.460 -0.798 0.000 1.157 98 Y HN 0.620 nan 8.280 nan 0.000 0.495 99 T N 2.442 116.706 114.554 -0.485 0.000 2.907 99 T HA 0.319 4.669 4.350 -0.001 0.000 0.292 99 T C -0.002 174.208 174.700 -0.817 0.000 1.043 99 T CA -0.837 60.899 62.100 -0.606 0.000 1.003 99 T CB 1.910 70.724 68.868 -0.091 0.000 1.084 99 T HN 0.612 nan 8.240 nan 0.000 0.483 100 N N 0.882 119.183 118.700 -0.664 0.000 2.349 100 N HA 0.066 4.805 4.740 -0.001 0.000 0.202 100 N C 1.449 176.776 175.510 -0.306 0.000 1.041 100 N CA 1.005 53.824 53.050 -0.385 0.000 0.970 100 N CB -0.564 37.739 38.487 -0.306 0.000 1.173 100 N HN 0.437 nan 8.380 nan 0.000 0.493 101 V N 1.521 121.201 119.914 -0.390 0.000 2.788 101 V HA 0.071 4.191 4.120 -0.001 0.000 0.241 101 V C 0.600 176.383 176.094 -0.518 0.000 1.083 101 V CA 0.396 62.387 62.300 -0.516 0.000 1.103 101 V CB -0.503 30.902 31.823 -0.696 0.000 0.800 101 V HN 0.536 nan 8.190 nan 0.000 0.476 102 Q N 0.227 119.771 119.800 -0.427 0.000 2.311 102 Q HA 0.084 4.424 4.340 -0.001 0.000 0.272 102 Q C -1.147 174.614 176.000 -0.398 0.000 1.012 102 Q CA -0.149 55.420 55.803 -0.390 0.000 0.891 102 Q CB 0.116 28.672 28.738 -0.304 0.000 1.201 102 Q HN 0.491 nan 8.270 nan 0.000 0.391 103 Y N 3.429 123.471 120.300 -0.430 0.000 2.497 103 Y HA 0.068 4.618 4.550 -0.000 0.000 0.334 103 Y C -1.252 174.151 175.900 -0.829 0.000 1.199 103 Y CA -1.844 55.806 58.100 -0.750 0.000 1.425 103 Y CB 0.498 38.278 38.460 -1.133 0.000 1.291 103 Y HN 0.634 nan 8.280 nan 0.000 0.562 104 P HA 0.008 nan 4.420 nan 0.000 0.256 104 P C -1.030 175.859 177.300 -0.684 0.000 1.335 104 P CA 0.603 63.309 63.100 -0.657 0.000 0.808 104 P CB -0.435 30.884 31.700 -0.636 0.000 1.305 105 F N -2.721 116.909 119.950 -0.534 0.000 2.643 105 F HA 0.782 5.307 4.527 -0.003 0.000 0.314 105 F C -2.943 172.656 175.800 -0.334 0.000 1.096 105 F CA -3.605 54.084 58.000 -0.519 0.000 0.953 105 F CB -0.458 38.069 39.000 -0.789 0.000 1.345 105 F HN -0.435 nan 8.300 nan 0.000 0.468 106 P HA 0.174 nan 4.420 nan 0.000 0.266 106 P C -0.342 177.003 177.300 0.076 0.000 1.195 106 P CA 0.072 63.174 63.100 0.003 0.000 0.768 106 P CB 0.537 32.250 31.700 0.023 0.000 0.838 107 I N 2.712 123.274 120.570 -0.013 0.000 2.278 107 I HA 0.070 4.240 4.170 -0.001 0.000 0.300 107 I C 0.524 176.699 176.117 0.097 0.000 1.174 107 I CA 0.739 62.034 61.300 -0.008 0.000 1.347 107 I CB -0.315 37.545 38.000 -0.232 0.000 1.473 107 I HN 0.242 nan 8.210 nan 0.000 0.595 108 D N 7.415 127.966 120.400 0.251 0.000 2.945 108 D HA 0.213 4.852 4.640 -0.001 0.000 0.340 108 D C -2.497 173.886 176.300 0.139 0.000 1.240 108 D CA -1.709 52.408 54.000 0.195 0.000 0.749 108 D CB 1.089 42.005 40.800 0.194 0.000 1.217 108 D HN 0.126 nan 8.370 nan 0.000 0.514 109 P HA 0.166 nan 4.420 nan 0.000 0.268 109 P C -2.111 174.994 177.300 -0.326 0.000 1.205 109 P CA -0.916 61.846 63.100 -0.564 0.000 0.771 109 P CB 0.635 32.070 31.700 -0.442 0.000 0.858 110 P HA 0.092 nan 4.420 nan 0.000 0.254 110 P C -0.078 177.116 177.300 -0.177 0.000 1.494 110 P CA 0.182 63.075 63.100 -0.346 0.000 0.961 110 P CB -0.055 31.417 31.700 -0.381 0.000 1.493 111 H N 0.594 119.716 119.070 0.085 0.000 2.562 111 H HA 0.319 4.877 4.556 0.004 0.000 0.352 111 H C 0.724 176.075 175.328 0.037 0.000 1.125 111 H CA -0.330 55.749 56.048 0.052 0.000 1.379 111 H CB 1.972 31.741 29.762 0.013 0.000 1.464 111 H HN -0.051 nan 8.280 nan 0.000 0.563 112 V N 0.084 120.021 119.914 0.038 0.000 3.126 112 V HA 0.550 4.670 4.120 -0.001 0.000 0.314 112 V C -2.516 173.513 176.094 -0.109 0.000 1.138 112 V CA -2.523 59.657 62.300 -0.201 0.000 1.034 112 V CB 1.268 32.943 31.823 -0.247 0.000 1.075 112 V HN 0.492 nan 8.190 nan 0.000 0.442 113 P HA 0.273 nan 4.420 nan 0.000 0.269 113 P C -0.016 177.313 177.300 0.048 0.000 1.215 113 P CA -0.079 62.995 63.100 -0.043 0.000 0.780 113 P CB 0.446 32.109 31.700 -0.062 0.000 0.898 114 D N 0.674 121.099 120.400 0.042 0.000 2.144 114 D HA -0.091 4.549 4.640 -0.001 0.000 0.199 114 D C 0.743 177.104 176.300 0.102 0.000 0.984 114 D CA 1.115 55.149 54.000 0.057 0.000 0.834 114 D CB -0.465 40.355 40.800 0.034 0.000 0.955 114 D HN 0.403 nan 8.370 nan 0.000 0.465 115 A N 1.062 123.958 122.820 0.127 0.000 2.545 115 A HA 0.173 4.493 4.320 -0.001 0.000 0.297 115 A C 0.069 177.828 177.584 0.291 0.000 1.340 115 A CA -0.018 52.123 52.037 0.173 0.000 1.016 115 A CB -0.407 18.693 19.000 0.167 0.000 1.122 115 A HN -0.011 nan 8.150 nan 0.000 0.537 116 N N 3.314 122.158 118.700 0.240 0.000 2.675 116 N HA 0.330 5.070 4.740 -0.001 0.000 0.254 116 N C -3.337 172.270 175.510 0.161 0.000 1.224 116 N CA -1.879 51.328 53.050 0.262 0.000 0.777 116 N CB 1.496 40.137 38.487 0.257 0.000 1.256 116 N HN 0.109 nan 8.380 nan 0.000 0.531 117 P HA 0.009 nan 4.420 nan 0.000 0.258 117 P C -0.830 176.600 177.300 0.217 0.000 1.172 117 P CA 0.654 63.853 63.100 0.167 0.000 0.762 117 P CB 0.413 32.300 31.700 0.312 0.000 0.764 118 T N 3.075 117.640 114.554 0.018 0.000 2.840 118 T HA 0.553 4.902 4.350 -0.001 0.000 0.287 118 T C 0.156 174.617 174.700 -0.397 0.000 0.991 118 T CA -0.551 61.535 62.100 -0.024 0.000 0.964 118 T CB 1.417 70.334 68.868 0.080 0.000 0.954 118 T HN 0.320 nan 8.240 nan 0.000 0.438 119 G N 2.026 110.537 108.800 -0.482 0.000 2.372 119 G HA2 0.561 4.520 3.960 -0.001 0.000 0.323 119 G HA3 0.561 4.520 3.960 -0.001 0.000 0.323 119 G C -1.038 173.675 174.900 -0.312 0.000 1.152 119 G CA -0.565 44.047 45.100 -0.815 0.000 0.906 119 G HN 0.521 nan 8.290 nan 0.000 0.460 120 D N 1.066 121.137 120.400 -0.549 0.000 2.233 120 D HA 0.469 5.108 4.640 -0.001 0.000 0.240 120 D C -0.742 175.573 176.300 0.026 0.000 1.074 120 D CA 0.190 54.146 54.000 -0.073 0.000 0.838 120 D CB 1.629 42.414 40.800 -0.025 0.000 1.124 120 D HN 0.123 nan 8.370 nan 0.000 0.475 121 F N 1.589 121.764 119.950 0.375 0.000 2.507 121 F HA 0.478 5.005 4.527 -0.001 0.000 0.325 121 F C 0.624 176.766 175.800 0.570 0.000 1.116 121 F CA -0.819 57.528 58.000 0.577 0.000 0.930 121 F CB 1.674 41.001 39.000 0.545 0.000 1.146 121 F HN -0.107 nan 8.300 nan 0.000 0.447 122 R N 2.023 122.917 120.500 0.657 0.000 2.575 122 R HA 0.764 5.104 4.340 -0.001 0.000 0.293 122 R C -1.257 175.107 176.300 0.105 0.000 0.983 122 R CA -1.272 54.999 56.100 0.286 0.000 0.887 122 R CB 2.731 33.032 30.300 0.001 0.000 1.184 122 R HN 0.432 nan 8.270 nan 0.000 0.445 123 R N 2.098 122.503 120.500 -0.157 0.000 2.533 123 R HA 0.370 4.710 4.340 -0.001 0.000 0.288 123 R C -1.383 174.835 176.300 -0.136 0.000 1.039 123 R CA -0.749 55.072 56.100 -0.465 0.000 0.909 123 R CB 1.149 30.577 30.300 -1.453 0.000 1.195 123 R HN 0.522 nan 8.270 nan 0.000 0.438 124 R N 3.448 123.896 120.500 -0.087 0.000 2.540 124 R HA 0.697 5.037 4.340 -0.001 0.000 0.287 124 R C -0.816 175.530 176.300 0.077 0.000 0.980 124 R CA -0.277 55.796 56.100 -0.044 0.000 0.966 124 R CB 1.027 31.269 30.300 -0.097 0.000 1.106 124 R HN 0.643 nan 8.270 nan 0.000 0.480 125 F N -2.312 117.553 119.950 -0.142 0.000 2.719 125 F HA 0.481 5.008 4.527 -0.001 0.000 0.309 125 F C -1.540 174.195 175.800 -0.108 0.000 1.138 125 F CA -1.410 56.513 58.000 -0.129 0.000 0.943 125 F CB 1.466 40.380 39.000 -0.142 0.000 1.304 125 F HN 0.197 nan 8.300 nan 0.000 0.445 126 D N 1.876 122.270 120.400 -0.011 0.000 2.168 126 D HA 0.554 5.193 4.640 -0.001 0.000 0.246 126 D C -0.829 175.417 176.300 -0.089 0.000 1.050 126 D CA -0.284 53.652 54.000 -0.107 0.000 0.857 126 D CB 2.574 43.319 40.800 -0.091 0.000 1.169 126 D HN 0.461 nan 8.370 nan 0.000 0.453 127 V N 3.643 123.473 119.914 -0.140 0.000 2.448 127 V HA 0.301 4.420 4.120 -0.001 0.000 0.295 127 V C -2.217 173.742 176.094 -0.226 0.000 1.025 127 V CA -1.862 60.295 62.300 -0.239 0.000 0.859 127 V CB 1.787 33.621 31.823 0.018 0.000 0.988 127 V HN 0.356 nan 8.190 nan 0.000 0.431 128 P HA 0.071 nan 4.420 nan 0.000 0.264 128 P C 0.766 178.084 177.300 0.030 0.000 1.193 128 P CA 0.184 63.131 63.100 -0.256 0.000 0.763 128 P CB 0.796 32.266 31.700 -0.384 0.000 0.810 129 A N 3.640 126.521 122.820 0.103 0.000 1.986 129 A HA -0.292 4.028 4.320 -0.001 0.000 0.220 129 A C 2.156 179.934 177.584 0.323 0.000 1.171 129 A CA 1.809 53.976 52.037 0.216 0.000 0.640 129 A CB -1.199 17.851 19.000 0.084 0.000 0.811 129 A HN 0.655 nan 8.150 nan 0.000 0.451 130 Q N -1.667 118.281 119.800 0.247 0.000 2.234 130 Q HA -0.217 4.122 4.340 -0.001 0.000 0.206 130 Q C 1.453 177.660 176.000 0.345 0.000 0.980 130 Q CA 1.574 57.537 55.803 0.266 0.000 0.869 130 Q CB -0.187 28.696 28.738 0.243 0.000 0.912 130 Q HN 0.846 nan 8.270 nan 0.000 0.436 131 W N -0.870 120.442 121.300 0.019 0.000 2.611 131 W HA -0.054 4.605 4.660 -0.001 0.000 0.251 131 W C 0.852 177.122 176.519 -0.415 0.000 1.265 131 W CA 0.511 57.733 57.345 -0.205 0.000 1.295 131 W CB -0.313 28.964 29.460 -0.306 0.000 1.129 131 W HN 0.197 nan 8.180 nan 0.000 0.630 132 F N -0.430 119.655 119.950 0.224 0.000 2.695 132 F HA 0.156 4.683 4.527 -0.001 0.000 0.303 132 F C 1.099 176.951 175.800 0.086 0.000 1.091 132 F CA -0.181 57.898 58.000 0.131 0.000 1.300 132 F CB -0.365 38.695 39.000 0.100 0.000 1.071 132 F HN -0.278 nan 8.300 nan 0.000 0.578 133 E N 0.052 120.368 120.200 0.193 0.000 2.392 133 E HA 0.035 4.384 4.350 -0.001 0.000 0.256 133 E C 1.318 177.958 176.600 0.067 0.000 1.145 133 E CA 0.419 56.892 56.400 0.121 0.000 0.929 133 E CB 0.715 30.477 29.700 0.103 0.000 0.998 133 E HN 0.096 nan 8.360 nan 0.000 0.442 134 S N -0.238 115.494 115.700 0.052 0.000 2.500 134 S HA -0.160 4.310 4.470 -0.001 0.000 0.239 134 S C 1.676 176.280 174.600 0.007 0.000 0.989 134 S CA 1.377 59.595 58.200 0.030 0.000 0.951 134 S CB -0.662 62.556 63.200 0.030 0.000 0.759 134 S HN 0.658 nan 8.310 nan 0.000 0.523 135 T N -1.500 113.057 114.554 0.004 0.000 3.072 135 T HA 0.067 4.416 4.350 -0.001 0.000 0.266 135 T C 0.634 175.300 174.700 -0.057 0.000 1.127 135 T CA 0.678 62.766 62.100 -0.019 0.000 1.107 135 T CB -0.569 68.293 68.868 -0.011 0.000 0.910 135 T HN 0.328 nan 8.240 nan 0.000 0.513 136 T N 1.315 115.828 114.554 -0.069 0.000 2.771 136 T HA 0.685 5.034 4.350 -0.001 0.000 0.281 136 T C 1.154 175.799 174.700 -0.092 0.000 0.982 136 T CA -0.279 61.744 62.100 -0.128 0.000 0.978 136 T CB 1.614 70.364 68.868 -0.197 0.000 0.930 136 T HN 0.210 nan 8.240 nan 0.000 0.447 137 A N 2.607 125.370 122.820 -0.095 0.000 1.984 137 A HA 0.727 5.047 4.320 -0.001 0.000 0.214 137 A C 1.029 178.577 177.584 -0.059 0.000 1.173 137 A CA 0.578 52.579 52.037 -0.060 0.000 0.673 137 A CB 0.095 19.065 19.000 -0.051 0.000 0.830 137 A HN 1.000 nan 8.150 nan 0.000 0.453 138 A N -1.188 121.575 122.820 -0.094 0.000 2.605 138 A HA 0.626 4.945 4.320 -0.001 0.000 0.294 138 A C -1.486 176.029 177.584 -0.114 0.000 1.062 138 A CA -0.512 51.481 52.037 -0.074 0.000 0.682 138 A CB 0.509 19.480 19.000 -0.049 0.000 1.278 138 A HN 0.264 nan 8.150 nan 0.000 0.410 139 L N 1.286 122.470 121.223 -0.065 0.000 2.313 139 L HA 0.642 4.981 4.340 -0.001 0.000 0.283 139 L C -0.342 176.533 176.870 0.008 0.000 1.013 139 L CA -0.445 54.365 54.840 -0.049 0.000 0.816 139 L CB 2.163 44.232 42.059 0.016 0.000 1.236 139 L HN 0.716 nan 8.230 nan 0.000 0.419 140 T N 3.859 118.406 114.554 -0.011 0.000 2.792 140 T HA 0.467 4.817 4.350 -0.001 0.000 0.280 140 T C -0.669 174.054 174.700 0.038 0.000 0.990 140 T CA -0.384 61.726 62.100 0.018 0.000 0.960 140 T CB 1.792 70.643 68.868 -0.028 0.000 0.939 140 T HN 0.223 nan 8.240 nan 0.000 0.439 141 L N 3.981 125.259 121.223 0.092 0.000 2.275 141 L HA 0.631 4.971 4.340 -0.001 0.000 0.288 141 L C -0.015 176.882 176.870 0.044 0.000 1.046 141 L CA -0.359 54.510 54.840 0.049 0.000 0.805 141 L CB 0.730 42.862 42.059 0.122 0.000 1.193 141 L HN 0.550 nan 8.230 nan 0.000 0.426 142 R N 4.643 125.064 120.500 -0.132 0.000 2.439 142 R HA 0.494 4.833 4.340 -0.001 0.000 0.310 142 R C -1.767 174.352 176.300 -0.302 0.000 0.955 142 R CA -0.508 55.532 56.100 -0.100 0.000 0.853 142 R CB 0.821 31.080 30.300 -0.068 0.000 1.171 142 R HN 0.557 nan 8.270 nan 0.000 0.449 143 F N 3.041 123.009 119.950 0.030 0.000 2.411 143 F HA 0.258 4.785 4.527 0.000 0.000 0.352 143 F C 1.024 176.738 175.800 -0.143 0.000 1.123 143 F CA -0.544 57.409 58.000 -0.079 0.000 1.044 143 F CB 1.847 40.797 39.000 -0.083 0.000 1.135 143 F HN 0.520 nan 8.300 nan 0.000 0.461 144 D N 2.173 122.516 120.400 -0.095 0.000 2.348 144 D HA 0.171 4.810 4.640 -0.001 0.000 0.211 144 D C 0.649 176.756 176.300 -0.323 0.000 0.998 144 D CA 0.590 54.458 54.000 -0.221 0.000 0.873 144 D CB 0.774 41.370 40.800 -0.341 0.000 0.925 144 D HN 0.696 nan 8.370 nan 0.000 0.524 145 G N 0.103 108.660 108.800 -0.406 0.000 2.289 145 G HA2 0.383 4.342 3.960 -0.001 0.000 0.315 145 G HA3 0.383 4.342 3.960 -0.001 0.000 0.315 145 G C -1.482 172.994 174.900 -0.707 0.000 1.587 145 G CA -0.457 44.247 45.100 -0.660 0.000 0.949 145 G HN -0.063 nan 8.290 nan 0.000 0.626 146 V N 1.421 121.194 119.914 -0.235 0.000 2.668 146 V HA 0.572 4.692 4.120 -0.001 0.000 0.304 146 V C -0.412 175.805 176.094 0.206 0.000 1.071 146 V CA -0.816 61.413 62.300 -0.119 0.000 0.894 146 V CB 1.970 33.444 31.823 -0.582 0.000 1.008 146 V HN 0.883 nan 8.190 nan 0.000 0.425 147 E N 2.635 122.989 120.200 0.257 0.000 2.133 147 E HA 0.591 4.941 4.350 -0.001 0.000 0.274 147 E C 0.446 177.108 176.600 0.104 0.000 0.930 147 E CA -0.064 56.435 56.400 0.166 0.000 0.770 147 E CB 1.716 31.431 29.700 0.025 0.000 1.104 147 E HN 0.837 nan 8.360 nan 0.000 0.403 148 S N 4.598 120.408 115.700 0.184 0.000 3.096 148 S HA 0.269 4.739 4.470 -0.001 0.000 0.169 148 S C 0.725 175.513 174.600 0.313 0.000 0.736 148 S CA -0.496 57.853 58.200 0.249 0.000 0.976 148 S CB -0.132 63.235 63.200 0.278 0.000 0.705 148 S HN 0.504 nan 8.310 nan 0.000 0.666 149 R N 0.856 121.549 120.500 0.321 0.000 2.582 149 R HA 0.439 4.778 4.340 -0.001 0.000 0.271 149 R C -1.359 175.184 176.300 0.406 0.000 1.078 149 R CA -0.403 55.886 56.100 0.316 0.000 1.127 149 R CB 0.345 30.807 30.300 0.271 0.000 1.038 149 R HN 0.719 nan 8.270 nan 0.000 0.500 150 Y N -0.549 119.829 120.300 0.130 0.000 2.544 150 Y HA 0.476 5.026 4.550 -0.001 0.000 0.342 150 Y C -1.484 174.323 175.900 -0.155 0.000 1.062 150 Y CA -1.316 56.784 58.100 -0.001 0.000 1.023 150 Y CB 1.298 39.665 38.460 -0.155 0.000 1.308 150 Y HN 0.445 nan 8.280 nan 0.000 0.457 151 K N 2.403 122.689 120.400 -0.190 0.000 2.270 151 K HA 0.794 5.114 4.320 -0.001 0.000 0.255 151 K C -1.971 174.249 176.600 -0.634 0.000 0.936 151 K CA -0.859 55.041 56.287 -0.644 0.000 0.809 151 K CB 2.033 33.954 32.500 -0.965 0.000 1.131 151 K HN 0.715 nan 8.250 nan 0.000 0.427 152 V N 4.232 123.677 119.914 -0.782 0.000 2.555 152 V HA 0.527 4.646 4.120 -0.001 0.000 0.302 152 V C -0.924 174.877 176.094 -0.488 0.000 1.038 152 V CA -0.761 61.290 62.300 -0.414 0.000 0.887 152 V CB 1.353 32.930 31.823 -0.410 0.000 0.991 152 V HN 0.724 nan 8.190 nan 0.000 0.434 153 W N 2.870 124.169 121.300 -0.001 0.000 2.883 153 W HA 0.696 5.354 4.660 -0.002 0.000 0.335 153 W C -1.287 175.267 176.519 0.058 0.000 1.083 153 W CA -0.668 56.678 57.345 0.002 0.000 1.233 153 W CB 2.292 31.751 29.460 -0.002 0.000 1.412 153 W HN 0.260 nan 8.180 nan 0.000 0.490 154 V N 3.851 123.926 119.914 0.268 0.000 2.487 154 V HA 0.179 4.298 4.120 -0.001 0.000 0.298 154 V C 0.207 176.398 176.094 0.161 0.000 1.028 154 V CA -0.822 61.613 62.300 0.224 0.000 0.860 154 V CB 1.418 33.371 31.823 0.217 0.000 0.991 154 V HN 0.679 nan 8.190 nan 0.000 0.427 155 N N 4.067 122.831 118.700 0.106 0.000 2.727 155 N HA -0.220 4.520 4.740 -0.001 0.000 0.249 155 N C 1.220 176.761 175.510 0.052 0.000 1.048 155 N CA 1.521 54.596 53.050 0.042 0.000 0.714 155 N CB -1.084 37.414 38.487 0.018 0.000 0.959 155 N HN 1.525 nan 8.380 nan 0.000 0.544 156 G N -1.222 107.620 108.800 0.070 0.000 2.212 156 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.266 156 G HA3 -0.365 3.594 3.960 -0.001 0.000 0.266 156 G C -0.038 174.953 174.900 0.153 0.000 0.978 156 G CA 0.797 45.927 45.100 0.050 0.000 0.632 156 G HN 0.569 nan 8.290 nan 0.000 0.537 157 Q N 0.447 120.359 119.800 0.187 0.000 2.243 157 Q HA 0.470 4.809 4.340 -0.001 0.000 0.252 157 Q C 0.136 176.281 176.000 0.242 0.000 0.909 157 Q CA -0.439 55.478 55.803 0.191 0.000 0.922 157 Q CB 1.435 30.243 28.738 0.115 0.000 1.215 157 Q HN 0.501 nan 8.270 nan 0.000 0.427 158 E N 3.011 123.328 120.200 0.195 0.000 2.324 158 E HA -0.033 4.317 4.350 -0.001 0.000 0.271 158 E C 0.132 176.642 176.600 -0.150 0.000 1.028 158 E CA -0.118 56.221 56.400 -0.102 0.000 0.890 158 E CB 0.538 30.146 29.700 -0.153 0.000 1.004 158 E HN 0.566 nan 8.360 nan 0.000 0.431 159 I N 3.123 123.523 120.570 -0.282 0.000 2.810 159 I HA 0.289 4.458 4.170 -0.001 0.000 0.262 159 I C 1.188 177.110 176.117 -0.325 0.000 1.131 159 I CA 1.094 62.252 61.300 -0.236 0.000 1.453 159 I CB -0.537 37.321 38.000 -0.237 0.000 1.161 159 I HN 0.695 nan 8.210 nan 0.000 0.444 160 G N 0.099 108.570 108.800 -0.548 0.000 2.320 160 G HA2 0.378 4.337 3.960 -0.001 0.000 0.297 160 G HA3 0.378 4.337 3.960 -0.001 0.000 0.297 160 G C -1.906 172.646 174.900 -0.579 0.000 1.344 160 G CA -0.503 44.337 45.100 -0.434 0.000 0.851 160 G HN -0.200 nan 8.290 nan 0.000 0.567 161 V N 0.119 119.851 119.914 -0.304 0.000 2.588 161 V HA 0.825 4.944 4.120 -0.001 0.000 0.304 161 V C 0.709 176.648 176.094 -0.259 0.000 1.042 161 V CA 0.155 62.221 62.300 -0.390 0.000 0.877 161 V CB 1.644 33.295 31.823 -0.286 0.000 0.996 161 V HN 1.482 nan 8.190 nan 0.000 0.425 162 G N 2.166 110.537 108.800 -0.715 0.000 2.420 162 G HA2 0.688 4.647 3.960 -0.001 0.000 0.331 162 G HA3 0.688 4.647 3.960 -0.001 0.000 0.331 162 G C -0.783 173.892 174.900 -0.375 0.000 1.168 162 G CA -0.353 44.374 45.100 -0.623 0.000 0.936 162 G HN 0.634 nan 8.290 nan 0.000 0.479 163 S N -1.499 114.158 115.700 -0.071 0.000 2.627 163 S HA 0.828 5.298 4.470 -0.001 0.000 0.283 163 S C 0.077 174.734 174.600 0.096 0.000 1.127 163 S CA 0.364 58.600 58.200 0.061 0.000 0.863 163 S CB 1.824 65.058 63.200 0.057 0.000 1.121 163 S HN 2.153 nan 8.310 nan 0.000 0.479 164 G N 1.291 110.167 108.800 0.126 0.000 2.894 164 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.263 164 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.263 164 G C 0.386 175.357 174.900 0.118 0.000 1.013 164 G CA 0.011 45.171 45.100 0.099 0.000 1.226 164 G HN 0.562 nan 8.290 nan 0.000 0.563 165 S N 0.335 116.117 115.700 0.136 0.000 2.399 165 S HA -0.070 4.399 4.470 -0.001 0.000 0.231 165 S C 2.139 176.848 174.600 0.183 0.000 1.022 165 S CA 1.428 59.733 58.200 0.175 0.000 0.983 165 S CB -0.016 63.274 63.200 0.151 0.000 0.803 165 S HN 0.589 nan 8.310 nan 0.000 0.480 166 R N 0.414 120.958 120.500 0.074 0.000 2.507 166 R HA 0.433 4.772 4.340 -0.001 0.000 0.298 166 R C -0.549 175.754 176.300 0.005 0.000 0.999 166 R CA 0.028 56.159 56.100 0.050 0.000 1.082 166 R CB -0.083 30.147 30.300 -0.117 0.000 1.246 166 R HN 0.303 nan 8.270 nan 0.000 0.553 167 L N -0.283 120.941 121.223 0.002 0.000 2.334 167 L HA 0.690 5.030 4.340 -0.001 0.000 0.272 167 L C 0.179 177.021 176.870 -0.047 0.000 1.020 167 L CA -1.403 53.419 54.840 -0.029 0.000 0.812 167 L CB 1.704 43.749 42.059 -0.023 0.000 1.264 167 L HN -0.005 nan 8.230 nan 0.000 0.439 168 A N 1.824 124.601 122.820 -0.073 0.000 2.340 168 A HA 0.595 4.914 4.320 -0.001 0.000 0.268 168 A C -0.598 176.962 177.584 -0.040 0.000 1.100 168 A CA -0.179 51.823 52.037 -0.059 0.000 0.803 168 A CB 1.185 20.138 19.000 -0.078 0.000 1.043 168 A HN 0.641 nan 8.150 nan 0.000 0.488 169 Q N 0.735 120.540 119.800 0.009 0.000 2.305 169 Q HA 0.461 4.800 4.340 -0.001 0.000 0.271 169 Q C -1.337 174.596 176.000 -0.111 0.000 1.046 169 Q CA -0.068 55.677 55.803 -0.096 0.000 0.798 169 Q CB 1.498 30.181 28.738 -0.092 0.000 1.286 169 Q HN 0.753 nan 8.270 nan 0.000 0.435 170 E N 2.949 122.993 120.200 -0.260 0.000 2.195 170 E HA 0.515 4.865 4.350 -0.001 0.000 0.271 170 E C -1.011 175.375 176.600 -0.357 0.000 0.923 170 E CA -0.590 55.708 56.400 -0.171 0.000 0.790 170 E CB 1.441 31.086 29.700 -0.092 0.000 1.155 170 E HN 0.450 nan 8.360 nan 0.000 0.402 171 F N 0.774 120.783 119.950 0.100 0.000 2.546 171 F HA 0.182 4.709 4.527 -0.001 0.000 0.320 171 F C 0.276 176.110 175.800 0.056 0.000 1.076 171 F CA -1.038 57.011 58.000 0.083 0.000 0.928 171 F CB 1.415 40.494 39.000 0.133 0.000 1.189 171 F HN 0.278 nan 8.300 nan 0.000 0.465 172 D N 1.954 122.486 120.400 0.221 0.000 2.352 172 D HA 0.216 4.856 4.640 -0.001 0.000 0.245 172 D C 0.399 176.791 176.300 0.153 0.000 1.224 172 D CA -0.004 54.078 54.000 0.137 0.000 0.879 172 D CB 1.235 42.088 40.800 0.089 0.000 1.057 172 D HN 0.358 nan 8.370 nan 0.000 0.491 173 V N 1.285 121.287 119.914 0.147 0.000 3.271 173 V HA 0.141 4.261 4.120 -0.001 0.000 0.327 173 V C 1.649 177.829 176.094 0.144 0.000 1.389 173 V CA -0.171 62.222 62.300 0.154 0.000 1.156 173 V CB -0.125 31.809 31.823 0.186 0.000 1.103 173 V HN 0.313 nan 8.190 nan 0.000 0.453 174 S N 1.900 117.664 115.700 0.107 0.000 2.380 174 S HA -0.223 4.246 4.470 -0.001 0.000 0.229 174 S C 1.402 176.089 174.600 0.145 0.000 1.043 174 S CA 2.388 60.646 58.200 0.096 0.000 1.038 174 S CB -0.307 62.929 63.200 0.060 0.000 0.872 174 S HN 0.760 nan 8.310 nan 0.000 0.456 175 D N 0.248 120.724 120.400 0.127 0.000 2.339 175 D HA 0.345 4.984 4.640 -0.001 0.000 0.217 175 D C 1.399 177.776 176.300 0.128 0.000 1.050 175 D CA 0.475 54.550 54.000 0.125 0.000 0.856 175 D CB 0.151 41.005 40.800 0.090 0.000 0.922 175 D HN 0.420 nan 8.370 nan 0.000 0.518 176 A N -0.077 122.831 122.820 0.145 0.000 2.167 176 A HA 0.228 4.548 4.320 -0.001 0.000 0.208 176 A C 1.048 178.724 177.584 0.153 0.000 1.198 176 A CA -0.074 52.043 52.037 0.133 0.000 0.863 176 A CB 0.253 19.331 19.000 0.130 0.000 0.904 176 A HN 0.074 nan 8.150 nan 0.000 0.484 177 L N 0.824 122.185 121.223 0.230 0.000 2.439 177 L HA 0.453 4.793 4.340 -0.001 0.000 0.261 177 L C 0.554 177.597 176.870 0.288 0.000 1.153 177 L CA -0.589 54.422 54.840 0.286 0.000 0.808 177 L CB 0.896 43.199 42.059 0.407 0.000 1.126 177 L HN 0.545 nan 8.230 nan 0.000 0.460 178 R N 1.202 121.766 120.500 0.107 0.000 2.836 178 R HA 0.790 5.129 4.340 -0.001 0.000 0.269 178 R C -1.043 174.957 176.300 -0.500 0.000 1.010 178 R CA -0.938 54.951 56.100 -0.352 0.000 0.930 178 R CB 1.430 31.578 30.300 -0.253 0.000 1.218 178 R HN 0.530 nan 8.270 nan 0.000 0.473 179 A N 1.031 123.266 122.820 -0.975 0.000 2.498 179 A HA 0.478 4.798 4.320 -0.001 0.000 0.239 179 A C 1.096 178.546 177.584 -0.224 0.000 1.068 179 A CA 1.063 52.846 52.037 -0.424 0.000 0.766 179 A CB -0.764 18.017 19.000 -0.367 0.000 1.003 179 A HN 1.374 nan 8.150 nan 0.000 0.497 180 G N 0.553 109.272 108.800 -0.134 0.000 2.520 180 G HA2 -0.058 3.902 3.960 -0.001 0.000 0.248 180 G HA3 -0.058 3.902 3.960 -0.001 0.000 0.248 180 G C 0.535 175.323 174.900 -0.186 0.000 1.161 180 G CA 0.280 45.294 45.100 -0.143 0.000 0.946 180 G HN 1.931 nan 8.290 nan 0.000 0.565 181 S N 1.362 116.944 115.700 -0.197 0.000 2.513 181 S HA 0.599 5.068 4.470 -0.001 0.000 0.276 181 S C 0.024 174.422 174.600 -0.337 0.000 1.254 181 S CA -0.269 57.779 58.200 -0.252 0.000 1.053 181 S CB -0.020 63.069 63.200 -0.184 0.000 0.958 181 S HN 0.661 nan 8.310 nan 0.000 0.491 182 N N 2.538 120.894 118.700 -0.573 0.000 2.321 182 N HA 0.482 5.221 4.740 -0.001 0.000 0.290 182 N C -1.746 173.377 175.510 -0.645 0.000 1.212 182 N CA -0.642 51.997 53.050 -0.685 0.000 0.767 182 N CB 1.784 39.611 38.487 -1.102 0.000 1.494 182 N HN 0.473 nan 8.380 nan 0.000 0.479 183 L N 1.589 122.629 121.223 -0.304 0.000 2.341 183 L HA 0.594 4.934 4.340 -0.001 0.000 0.278 183 L C -1.557 175.402 176.870 0.150 0.000 1.005 183 L CA -0.690 54.104 54.840 -0.076 0.000 0.818 183 L CB 1.423 43.447 42.059 -0.057 0.000 1.259 183 L HN 0.451 nan 8.230 nan 0.000 0.418 184 L N 6.150 127.527 121.223 0.257 0.000 2.356 184 L HA 0.777 5.117 4.340 -0.001 0.000 0.277 184 L C -1.427 175.589 176.870 0.242 0.000 0.996 184 L CA -0.311 54.702 54.840 0.288 0.000 0.822 184 L CB 1.942 44.149 42.059 0.248 0.000 1.256 184 L HN 0.401 nan 8.230 nan 0.000 0.413 185 V N 5.539 125.656 119.914 0.338 0.000 2.540 185 V HA 0.684 4.803 4.120 -0.001 0.000 0.302 185 V C -0.712 175.731 176.094 0.581 0.000 1.035 185 V CA -0.656 61.886 62.300 0.403 0.000 0.873 185 V CB 2.013 33.968 31.823 0.220 0.000 0.992 185 V HN 0.529 nan 8.190 nan 0.000 0.428 186 V N 4.904 125.178 119.914 0.600 0.000 2.577 186 V HA 0.559 4.678 4.120 -0.001 0.000 0.303 186 V C -0.191 176.216 176.094 0.522 0.000 1.042 186 V CA -0.776 61.814 62.300 0.484 0.000 0.872 186 V CB 1.977 33.996 31.823 0.327 0.000 0.998 186 V HN 0.907 nan 8.190 nan 0.000 0.423 187 R N 3.719 124.488 120.500 0.448 0.000 2.338 187 R HA 0.789 5.128 4.340 -0.001 0.000 0.317 187 R C -1.738 174.661 176.300 0.164 0.000 0.968 187 R CA -0.320 55.978 56.100 0.329 0.000 0.849 187 R CB 1.754 32.277 30.300 0.373 0.000 1.128 187 R HN 0.524 nan 8.270 nan 0.000 0.448 188 V N 4.879 124.901 119.914 0.179 0.000 2.540 188 V HA 0.363 4.482 4.120 -0.001 0.000 0.302 188 V C -0.490 175.700 176.094 0.159 0.000 1.035 188 V CA -0.839 61.609 62.300 0.246 0.000 0.873 188 V CB 1.653 33.775 31.823 0.499 0.000 0.992 188 V HN 0.794 nan 8.190 nan 0.000 0.428 189 H N 3.319 122.617 119.070 0.379 0.000 2.459 189 H HA 0.296 4.851 4.556 -0.001 0.000 0.332 189 H C 0.577 176.027 175.328 0.204 0.000 1.094 189 H CA -0.296 55.925 56.048 0.288 0.000 1.224 189 H CB 2.419 32.305 29.762 0.207 0.000 1.449 189 H HN 0.758 nan 8.280 nan 0.000 0.484 190 Q N 3.182 123.101 119.800 0.199 0.000 1.993 190 Q HA -0.112 4.228 4.340 -0.001 0.000 0.202 190 Q C -0.296 175.583 176.000 -0.202 0.000 0.984 190 Q CA 1.472 57.143 55.803 -0.220 0.000 0.837 190 Q CB 0.274 28.621 28.738 -0.653 0.000 0.902 190 Q HN 0.568 nan 8.270 nan 0.000 0.423 191 W N 0.820 122.192 121.300 0.120 0.000 2.438 191 W HA 0.456 5.114 4.660 -0.002 0.000 0.324 191 W C -0.123 176.366 176.519 -0.050 0.000 1.119 191 W CA -0.720 56.589 57.345 -0.060 0.000 1.221 191 W CB 1.394 30.715 29.460 -0.232 0.000 1.253 191 W HN 0.123 nan 8.180 nan 0.000 0.555 192 S N 0.105 115.905 115.700 0.167 0.000 2.661 192 S HA 0.612 5.081 4.470 -0.001 0.000 0.268 192 S C 0.366 175.044 174.600 0.130 0.000 1.162 192 S CA -0.370 57.886 58.200 0.094 0.000 0.817 192 S CB 0.936 64.225 63.200 0.149 0.000 1.141 192 S HN 0.718 nan 8.310 nan 0.000 0.477 193 A N 0.758 123.678 122.820 0.168 0.000 1.986 193 A HA 0.192 4.511 4.320 -0.001 0.000 0.220 193 A C 2.282 180.192 177.584 0.543 0.000 1.171 193 A CA 2.276 54.538 52.037 0.377 0.000 0.640 193 A CB -1.657 17.461 19.000 0.198 0.000 0.811 193 A HN 1.668 nan 8.150 nan 0.000 0.451 194 A N -0.493 122.553 122.820 0.376 0.000 2.019 194 A HA -0.043 4.276 4.320 -0.001 0.000 0.219 194 A C 2.320 180.131 177.584 0.379 0.000 1.164 194 A CA 1.820 54.078 52.037 0.368 0.000 0.644 194 A CB -0.745 18.421 19.000 0.277 0.000 0.805 194 A HN 0.468 nan 8.150 nan 0.000 0.449 195 S N -1.176 114.742 115.700 0.363 0.000 2.419 195 S HA -0.185 4.285 4.470 -0.001 0.000 0.235 195 S C 1.580 176.507 174.600 0.544 0.000 1.019 195 S CA 1.414 59.898 58.200 0.473 0.000 0.982 195 S CB -0.602 62.788 63.200 0.317 0.000 0.789 195 S HN 0.732 nan 8.310 nan 0.000 0.490 196 Y N 1.256 121.792 120.300 0.395 0.000 2.403 196 Y HA 0.033 4.581 4.550 -0.003 0.000 0.291 196 Y C 1.755 177.852 175.900 0.328 0.000 1.143 196 Y CA 0.687 58.984 58.100 0.328 0.000 1.257 196 Y CB -0.256 38.280 38.460 0.126 0.000 0.984 196 Y HN 0.206 nan 8.280 nan 0.000 0.550 197 L N -0.481 120.939 121.223 0.328 0.000 2.607 197 L HA 0.078 4.417 4.340 -0.001 0.000 0.228 197 L C 0.080 177.098 176.870 0.247 0.000 1.123 197 L CA 0.548 55.493 54.840 0.176 0.000 0.890 197 L CB 0.052 42.161 42.059 0.083 0.000 1.103 197 L HN 0.148 nan 8.230 nan 0.000 0.468 198 E N -0.256 120.164 120.200 0.367 0.000 4.044 198 E HA 0.034 4.384 4.350 -0.001 0.000 0.216 198 E C -0.520 176.210 176.600 0.217 0.000 1.104 198 E CA -0.082 56.484 56.400 0.275 0.000 1.383 198 E CB 0.475 30.335 29.700 0.267 0.000 1.195 198 E HN -0.003 nan 8.360 nan 0.000 0.442 199 D N 1.261 121.798 120.400 0.229 0.000 2.676 199 D HA 0.016 4.655 4.640 -0.001 0.000 0.239 199 D C -0.213 176.030 176.300 -0.096 0.000 1.213 199 D CA -0.078 53.950 54.000 0.047 0.000 0.835 199 D CB 0.061 40.781 40.800 -0.134 0.000 1.009 199 D HN 0.082 nan 8.370 nan 0.000 0.479 200 Q N 0.528 120.268 119.800 -0.100 0.000 2.386 200 Q HA 0.067 4.406 4.340 -0.001 0.000 0.282 200 Q C -0.030 175.924 176.000 -0.077 0.000 1.050 200 Q CA 0.201 56.004 55.803 0.000 0.000 0.918 200 Q CB 0.494 29.309 28.738 0.127 0.000 1.266 200 Q HN 0.087 nan 8.270 nan 0.000 0.423 201 D N 2.960 123.411 120.400 0.086 0.000 2.441 201 D HA 0.004 4.644 4.640 -0.001 0.000 0.243 201 D C -0.810 175.638 176.300 0.246 0.000 1.257 201 D CA 0.250 54.337 54.000 0.146 0.000 1.027 201 D CB -0.290 40.652 40.800 0.238 0.000 1.084 201 D HN 0.495 nan 8.370 nan 0.000 0.514 202 Q N 1.503 121.376 119.800 0.122 0.000 2.943 202 Q HA 0.201 4.540 4.340 -0.001 0.000 0.305 202 Q C -1.203 174.834 176.000 0.061 0.000 0.873 202 Q CA -1.155 54.703 55.803 0.092 0.000 0.773 202 Q CB 0.010 28.702 28.738 -0.076 0.000 1.501 202 Q HN 0.182 nan 8.270 nan 0.000 0.442 203 W N 0.477 121.856 121.300 0.131 0.000 2.181 203 W HA 0.328 4.987 4.660 -0.002 0.000 0.335 203 W C -0.455 176.037 176.519 -0.046 0.000 1.310 203 W CA 0.157 57.592 57.345 0.150 0.000 1.226 203 W CB 0.379 29.897 29.460 0.097 0.000 1.155 203 W HN 0.432 nan 8.180 nan 0.000 0.565 204 W N 4.620 126.128 121.300 0.348 0.000 2.335 204 W HA 0.480 5.142 4.660 0.004 0.000 0.306 204 W C -0.500 176.023 176.519 0.006 0.000 1.216 204 W CA -0.575 56.873 57.345 0.171 0.000 1.237 204 W CB 0.096 29.721 29.460 0.275 0.000 1.243 204 W HN -0.103 nan 8.180 nan 0.000 0.493 205 L N 7.106 128.324 121.223 -0.008 0.000 2.490 205 L HA 0.311 4.651 4.340 -0.001 0.000 0.256 205 L C -2.139 174.562 176.870 -0.282 0.000 1.089 205 L CA -2.050 52.605 54.840 -0.310 0.000 0.916 205 L CB 1.068 42.644 42.059 -0.805 0.000 1.188 205 L HN 0.091 nan 8.230 nan 0.000 0.476 206 P HA 0.531 nan 4.420 nan 0.000 0.276 206 P C 0.114 176.963 177.300 -0.752 0.000 1.244 206 P CA 0.213 62.934 63.100 -0.632 0.000 0.801 206 P CB 2.027 33.133 31.700 -0.989 0.000 1.006 207 G N 0.352 108.880 108.800 -0.453 0.000 2.353 207 G HA2 0.034 3.994 3.960 -0.001 0.000 0.424 207 G HA3 0.034 3.994 3.960 -0.001 0.000 0.424 207 G C -1.332 173.550 174.900 -0.031 0.000 1.320 207 G CA -0.878 44.149 45.100 -0.120 0.000 0.995 207 G HN 0.425 nan 8.290 nan 0.000 0.580 208 I N 2.013 122.458 120.570 -0.208 0.000 2.269 208 I HA 0.275 4.445 4.170 -0.001 0.000 0.293 208 I C 1.099 177.031 176.117 -0.308 0.000 1.106 208 I CA -0.265 60.797 61.300 -0.395 0.000 1.248 208 I CB -0.110 37.440 38.000 -0.751 0.000 1.444 208 I HN 0.515 nan 8.210 nan 0.000 0.497 209 F N 4.295 124.039 119.950 -0.343 0.000 2.695 209 F HA 0.469 4.995 4.527 -0.001 0.000 0.303 209 F C 0.731 176.409 175.800 -0.204 0.000 1.091 209 F CA -0.567 57.197 58.000 -0.394 0.000 1.300 209 F CB 0.089 38.709 39.000 -0.633 0.000 1.071 209 F HN 0.139 nan 8.300 nan 0.000 0.578 210 R N 0.533 120.590 120.500 -0.737 0.000 2.950 210 R HA 0.301 4.641 4.340 -0.001 0.000 0.253 210 R C -1.039 175.094 176.300 -0.278 0.000 1.168 210 R CA -1.151 54.695 56.100 -0.424 0.000 1.014 210 R CB 0.687 30.657 30.300 -0.551 0.000 1.228 210 R HN 0.002 nan 8.270 nan 0.000 0.487 211 D N 0.364 120.676 120.400 -0.147 0.000 2.449 211 D HA 0.141 4.781 4.640 -0.001 0.000 0.236 211 D C -0.704 175.506 176.300 -0.150 0.000 1.149 211 D CA 0.381 54.330 54.000 -0.085 0.000 0.878 211 D CB 0.640 41.446 40.800 0.009 0.000 1.198 211 D HN -0.029 nan 8.370 nan 0.000 0.446 212 V N 1.696 121.530 119.914 -0.133 0.000 2.409 212 V HA 0.593 4.713 4.120 -0.001 0.000 0.291 212 V C 0.199 176.192 176.094 -0.169 0.000 1.020 212 V CA -0.602 61.548 62.300 -0.250 0.000 0.848 212 V CB 1.385 33.094 31.823 -0.188 0.000 0.990 212 V HN 0.817 nan 8.190 nan 0.000 0.430 213 T N 2.770 117.196 114.554 -0.214 0.000 2.896 213 T HA 0.801 5.150 4.350 -0.001 0.000 0.297 213 T C -1.033 173.597 174.700 -0.116 0.000 1.108 213 T CA -0.762 61.270 62.100 -0.113 0.000 1.004 213 T CB 1.910 70.754 68.868 -0.040 0.000 1.159 213 T HN 0.341 nan 8.240 nan 0.000 0.499 214 L N 1.183 122.390 121.223 -0.026 0.000 2.346 214 L HA 0.627 4.966 4.340 -0.001 0.000 0.276 214 L C -0.380 176.546 176.870 0.093 0.000 1.006 214 L CA -0.725 54.152 54.840 0.062 0.000 0.817 214 L CB 2.110 44.278 42.059 0.183 0.000 1.272 214 L HN 0.757 nan 8.230 nan 0.000 0.421 215 Q N 2.004 121.791 119.800 -0.022 0.000 2.347 215 Q HA 0.634 4.973 4.340 -0.001 0.000 0.271 215 Q C -1.209 174.554 176.000 -0.395 0.000 1.064 215 Q CA -0.758 54.930 55.803 -0.192 0.000 0.800 215 Q CB 2.458 31.104 28.738 -0.154 0.000 1.304 215 Q HN 0.724 nan 8.270 nan 0.000 0.438 216 A N 4.495 126.837 122.820 -0.797 0.000 2.316 216 A HA 0.388 4.708 4.320 -0.001 0.000 0.311 216 A C -0.448 176.842 177.584 -0.491 0.000 1.339 216 A CA -0.585 50.941 52.037 -0.853 0.000 0.960 216 A CB 0.212 18.241 19.000 -1.619 0.000 1.152 216 A HN 0.581 nan 8.150 nan 0.000 0.547 217 R N 3.070 123.382 120.500 -0.314 0.000 2.399 217 R HA 0.199 4.538 4.340 -0.001 0.000 0.324 217 R C -2.823 173.360 176.300 -0.195 0.000 1.030 217 R CA -1.866 54.107 56.100 -0.212 0.000 0.984 217 R CB -0.229 29.985 30.300 -0.143 0.000 0.961 217 R HN 0.406 nan 8.270 nan 0.000 0.433 218 P HA 0.043 nan 4.420 nan 0.000 0.271 218 P C -0.484 176.757 177.300 -0.098 0.000 1.216 218 P CA -0.185 62.830 63.100 -0.142 0.000 0.776 218 P CB 0.702 32.327 31.700 -0.126 0.000 0.881 219 A N 3.211 125.986 122.820 -0.076 0.000 2.520 219 A HA 0.426 4.745 4.320 -0.001 0.000 0.245 219 A C 1.504 179.063 177.584 -0.042 0.000 1.072 219 A CA 0.661 52.669 52.037 -0.047 0.000 0.761 219 A CB -1.383 17.599 19.000 -0.030 0.000 1.004 219 A HN 0.879 nan 8.150 nan 0.000 0.499 220 G N 1.721 110.502 108.800 -0.032 0.000 2.153 220 G HA2 -0.011 3.948 3.960 -0.001 0.000 0.252 220 G HA3 -0.011 3.948 3.960 -0.001 0.000 0.252 220 G C 0.854 175.715 174.900 -0.065 0.000 0.994 220 G CA 0.805 45.884 45.100 -0.034 0.000 0.698 220 G HN 1.812 nan 8.290 nan 0.000 0.521 221 G N -0.970 107.787 108.800 -0.071 0.000 2.563 221 G HA2 0.612 4.571 3.960 -0.001 0.000 0.283 221 G HA3 0.612 4.571 3.960 -0.001 0.000 0.283 221 G C -0.056 174.788 174.900 -0.092 0.000 1.309 221 G CA -0.766 44.282 45.100 -0.087 0.000 1.022 221 G HN 0.679 nan 8.290 nan 0.000 0.501 222 I N -0.108 120.408 120.570 -0.090 0.000 2.382 222 I HA 0.186 4.356 4.170 -0.001 0.000 0.286 222 I C 1.160 177.240 176.117 -0.063 0.000 1.002 222 I CA -0.385 60.867 61.300 -0.080 0.000 1.135 222 I CB 2.120 40.075 38.000 -0.075 0.000 1.288 222 I HN 0.460 nan 8.210 nan 0.000 0.448 223 T N 2.666 117.192 114.554 -0.047 0.000 2.812 223 T HA -0.051 4.298 4.350 -0.001 0.000 0.264 223 T C 0.308 174.985 174.700 -0.038 0.000 1.042 223 T CA 1.225 63.298 62.100 -0.044 0.000 1.140 223 T CB -0.103 68.747 68.868 -0.029 0.000 0.870 223 T HN 0.571 nan 8.240 nan 0.000 0.445 224 D N -1.044 119.346 120.400 -0.016 0.000 2.655 224 D HA 0.645 5.284 4.640 -0.001 0.000 0.229 224 D C -1.660 174.660 176.300 0.033 0.000 1.229 224 D CA -0.482 53.518 54.000 -0.001 0.000 0.807 224 D CB 1.861 42.665 40.800 0.006 0.000 1.514 224 D HN 0.218 nan 8.370 nan 0.000 0.444 225 A N 1.226 124.081 122.820 0.058 0.000 2.539 225 A HA 0.670 4.989 4.320 -0.001 0.000 0.296 225 A C -2.052 175.658 177.584 0.211 0.000 1.073 225 A CA -0.742 51.365 52.037 0.117 0.000 0.700 225 A CB 1.515 20.573 19.000 0.097 0.000 1.296 225 A HN 0.374 nan 8.150 nan 0.000 0.405 226 W N 2.965 124.269 121.300 0.007 0.000 2.587 226 W HA 0.583 5.243 4.660 -0.000 0.000 0.324 226 W C -1.978 174.548 176.519 0.012 0.000 1.008 226 W CA -1.332 56.018 57.345 0.008 0.000 1.265 226 W CB 1.106 30.577 29.460 0.017 0.000 1.328 226 W HN 0.515 nan 8.180 nan 0.000 0.432 227 L N 6.993 128.345 121.223 0.213 0.000 2.352 227 L HA 0.378 4.717 4.340 -0.001 0.000 0.272 227 L C 0.818 177.625 176.870 -0.105 0.000 1.109 227 L CA -0.577 54.276 54.840 0.022 0.000 0.952 227 L CB 0.412 42.504 42.059 0.056 0.000 1.314 227 L HN 0.283 nan 8.230 nan 0.000 0.427 228 R N 2.338 122.604 120.500 -0.390 0.000 2.248 228 R HA 0.236 4.575 4.340 -0.001 0.000 0.328 228 R C 0.178 176.357 176.300 -0.202 0.000 1.067 228 R CA -0.116 55.704 56.100 -0.466 0.000 0.924 228 R CB 0.701 30.468 30.300 -0.888 0.000 1.013 228 R HN 0.584 nan 8.270 nan 0.000 0.454 229 T N 0.675 115.160 114.554 -0.115 0.000 2.948 229 T HA 0.833 5.182 4.350 -0.001 0.000 0.285 229 T C 0.190 174.947 174.700 0.095 0.000 1.019 229 T CA -0.626 61.442 62.100 -0.053 0.000 1.013 229 T CB 2.079 70.748 68.868 -0.333 0.000 1.117 229 T HN 0.599 nan 8.240 nan 0.000 0.533 230 G N -0.903 108.057 108.800 0.266 0.000 2.677 230 G HA2 0.562 4.522 3.960 -0.001 0.000 0.291 230 G HA3 0.562 4.522 3.960 -0.001 0.000 0.291 230 G C -2.600 172.581 174.900 0.469 0.000 1.435 230 G CA -1.052 44.224 45.100 0.293 0.000 0.826 230 G HN 0.928 nan 8.290 nan 0.000 0.491 231 W N 1.014 122.430 121.300 0.195 0.000 3.372 231 W HA 0.638 5.298 4.660 -0.001 0.000 0.315 231 W C -0.459 176.126 176.519 0.111 0.000 1.223 231 W CA -0.481 56.966 57.345 0.170 0.000 1.202 231 W CB 2.130 31.732 29.460 0.237 0.000 1.367 231 W HN 0.983 nan 8.180 nan 0.000 0.531 232 S N 3.544 118.849 115.700 -0.659 0.000 2.564 232 S HA 0.853 5.323 4.470 -0.001 0.000 0.274 232 S C -0.600 173.240 174.600 -1.266 0.000 1.124 232 S CA -0.841 56.936 58.200 -0.705 0.000 0.869 232 S CB 1.464 64.494 63.200 -0.284 0.000 1.105 232 S HN 1.155 nan 8.310 nan 0.000 0.472 233 A N 1.529 123.825 122.820 -0.874 0.000 2.462 233 A HA 0.780 5.100 4.320 -0.001 0.000 0.243 233 A C 0.334 177.699 177.584 -0.364 0.000 1.076 233 A CA 0.034 51.699 52.037 -0.620 0.000 0.773 233 A CB 0.167 19.094 19.000 -0.122 0.000 1.010 233 A HN 0.865 nan 8.150 nan 0.000 0.493 234 R N 0.139 120.493 120.500 -0.245 0.000 3.041 234 R HA 0.506 4.845 4.340 -0.001 0.000 0.254 234 R C 1.487 177.754 176.300 -0.055 0.000 1.244 234 R CA 0.204 56.216 56.100 -0.147 0.000 1.023 234 R CB 0.320 30.515 30.300 -0.175 0.000 1.332 234 R HN 0.684 nan 8.270 nan 0.000 0.463 235 S N -1.249 114.428 115.700 -0.039 0.000 2.344 235 S HA -0.009 4.460 4.470 -0.001 0.000 0.217 235 S C 1.230 175.840 174.600 0.017 0.000 1.033 235 S CA 1.768 59.963 58.200 -0.009 0.000 1.017 235 S CB -0.593 62.600 63.200 -0.013 0.000 0.941 235 S HN 0.573 nan 8.310 nan 0.000 0.430 236 G N 0.032 108.844 108.800 0.020 0.000 3.142 236 G HA2 0.431 4.390 3.960 -0.001 0.000 0.178 236 G HA3 0.431 4.390 3.960 -0.001 0.000 0.178 236 G C 1.374 176.330 174.900 0.095 0.000 1.941 236 G CA 0.441 45.570 45.100 0.047 0.000 0.902 236 G HN 0.593 nan 8.290 nan 0.000 0.517 237 A N -1.202 121.688 122.820 0.116 0.000 2.066 237 A HA 0.494 4.813 4.320 -0.001 0.000 0.218 237 A C 1.438 179.243 177.584 0.369 0.000 1.157 237 A CA 1.779 53.945 52.037 0.215 0.000 0.670 237 A CB -0.851 18.263 19.000 0.189 0.000 0.804 237 A HN 2.300 nan 8.150 nan 0.000 0.453 238 G N -2.800 106.082 108.800 0.137 0.000 2.541 238 G HA2 0.128 4.088 3.960 -0.001 0.000 0.686 238 G HA3 0.128 4.088 3.960 -0.001 0.000 0.686 238 G C -0.470 174.279 174.900 -0.253 0.000 1.286 238 G CA -0.392 44.609 45.100 -0.165 0.000 0.894 238 G HN 0.576 nan 8.290 nan 0.000 0.575 239 T N 1.036 115.267 114.554 -0.538 0.000 2.758 239 T HA 0.662 5.011 4.350 -0.001 0.000 0.285 239 T C 0.788 175.292 174.700 -0.327 0.000 0.981 239 T CA 0.482 62.375 62.100 -0.346 0.000 0.965 239 T CB 1.392 70.098 68.868 -0.269 0.000 0.927 239 T HN 1.416 nan 8.240 nan 0.000 0.448 240 G N 2.163 110.822 108.800 -0.235 0.000 2.425 240 G HA2 0.614 4.573 3.960 -0.001 0.000 0.302 240 G HA3 0.614 4.573 3.960 -0.001 0.000 0.302 240 G C -0.234 174.661 174.900 -0.008 0.000 1.159 240 G CA -0.601 44.395 45.100 -0.174 0.000 0.865 240 G HN 0.741 nan 8.290 nan 0.000 0.515 241 T N -1.466 113.238 114.554 0.251 0.000 2.900 241 T HA 0.694 5.044 4.350 -0.001 0.000 0.295 241 T C -0.554 174.319 174.700 0.288 0.000 1.044 241 T CA -0.695 61.520 62.100 0.192 0.000 0.995 241 T CB 1.760 70.687 68.868 0.099 0.000 1.072 241 T HN 0.365 nan 8.240 nan 0.000 0.473 242 I N 1.983 122.669 120.570 0.193 0.000 2.466 242 I HA 0.391 4.560 4.170 -0.001 0.000 0.289 242 I C -1.021 175.123 176.117 0.045 0.000 1.026 242 I CA -0.686 60.690 61.300 0.128 0.000 1.078 242 I CB 1.968 40.074 38.000 0.176 0.000 1.249 242 I HN 0.685 nan 8.210 nan 0.000 0.429 243 D N 8.908 129.275 120.400 -0.055 0.000 2.462 243 D HA 0.381 5.021 4.640 -0.001 0.000 0.249 243 D C -2.591 173.603 176.300 -0.177 0.000 1.117 243 D CA -2.023 51.906 54.000 -0.118 0.000 0.900 243 D CB 1.249 41.943 40.800 -0.178 0.000 1.039 243 D HN 0.076 nan 8.370 nan 0.000 0.516 244 P HA 0.258 nan 4.420 nan 0.000 0.278 244 P C -0.744 176.461 177.300 -0.158 0.000 1.238 244 P CA -0.332 62.710 63.100 -0.097 0.000 0.794 244 P CB 0.902 32.584 31.700 -0.029 0.000 0.955 245 E N 2.701 122.863 120.200 -0.063 0.000 2.218 245 E HA 0.396 4.745 4.350 -0.001 0.000 0.263 245 E C -1.227 175.399 176.600 0.042 0.000 0.879 245 E CA -0.588 55.807 56.400 -0.008 0.000 0.762 245 E CB 0.798 30.563 29.700 0.109 0.000 1.166 245 E HN 0.225 nan 8.360 nan 0.000 0.415 246 I N 3.921 124.496 120.570 0.008 0.000 2.389 246 I HA 0.228 4.398 4.170 -0.001 0.000 0.288 246 I C -0.281 175.880 176.117 0.073 0.000 0.999 246 I CA -0.598 60.732 61.300 0.050 0.000 1.129 246 I CB 1.501 39.537 38.000 0.060 0.000 1.288 246 I HN 0.486 nan 8.210 nan 0.000 0.444 247 T N 6.067 120.657 114.554 0.059 0.000 2.853 247 T HA 0.749 5.099 4.350 -0.001 0.000 0.317 247 T C 0.009 174.730 174.700 0.036 0.000 1.059 247 T CA -0.481 61.652 62.100 0.055 0.000 0.954 247 T CB 0.953 69.848 68.868 0.044 0.000 0.994 247 T HN 0.770 nan 8.240 nan 0.000 0.479 248 A N 2.788 125.648 122.820 0.066 0.000 2.589 248 A HA 0.589 4.908 4.320 -0.001 0.000 0.296 248 A C -0.728 176.927 177.584 0.119 0.000 1.062 248 A CA -0.911 51.150 52.037 0.041 0.000 0.686 248 A CB 1.198 20.155 19.000 -0.072 0.000 1.282 248 A HN 0.626 nan 8.150 nan 0.000 0.404 249 D N 1.180 121.627 120.400 0.078 0.000 2.378 249 D HA 0.288 4.927 4.640 -0.001 0.000 0.238 249 D C 1.560 177.978 176.300 0.196 0.000 1.180 249 D CA 0.701 54.761 54.000 0.101 0.000 0.895 249 D CB 1.381 42.212 40.800 0.053 0.000 1.192 249 D HN 0.647 nan 8.370 nan 0.000 0.438 250 A N 2.109 125.034 122.820 0.174 0.000 2.024 250 A HA -0.194 4.125 4.320 -0.001 0.000 0.220 250 A C 2.044 179.775 177.584 0.244 0.000 1.164 250 A CA 2.373 54.539 52.037 0.216 0.000 0.643 250 A CB -0.879 18.175 19.000 0.090 0.000 0.806 250 A HN 0.757 nan 8.150 nan 0.000 0.451 251 T N -2.517 112.124 114.554 0.144 0.000 3.007 251 T HA 0.153 4.502 4.350 -0.001 0.000 0.270 251 T C 1.757 176.507 174.700 0.083 0.000 1.107 251 T CA 1.272 63.432 62.100 0.100 0.000 1.118 251 T CB -0.394 68.504 68.868 0.050 0.000 0.889 251 T HN 0.547 nan 8.240 nan 0.000 0.506 252 A N 0.929 123.783 122.820 0.057 0.000 1.969 252 A HA 0.267 4.587 4.320 -0.001 0.000 0.218 252 A C 0.676 178.162 177.584 -0.162 0.000 1.169 252 A CA 0.217 52.189 52.037 -0.108 0.000 0.635 252 A CB -0.824 18.021 19.000 -0.257 0.000 0.810 252 A HN 0.542 nan 8.150 nan 0.000 0.445 253 F N 1.221 121.198 119.950 0.045 0.000 2.471 253 F HA 0.340 4.866 4.527 -0.001 0.000 0.353 253 F C -1.519 174.308 175.800 0.045 0.000 1.113 253 F CA -2.100 55.937 58.000 0.062 0.000 1.262 253 F CB 0.310 39.352 39.000 0.070 0.000 1.146 253 F HN 0.097 nan 8.300 nan 0.000 0.578 254 P HA 0.215 nan 4.420 nan 0.000 0.275 254 P C -0.994 176.333 177.300 0.045 0.000 1.227 254 P CA -0.173 63.051 63.100 0.206 0.000 0.781 254 P CB 1.561 33.338 31.700 0.128 0.000 0.906 255 V N 2.880 122.839 119.914 0.075 0.000 2.495 255 V HA 0.359 4.479 4.120 -0.001 0.000 0.298 255 V C 0.267 176.344 176.094 -0.030 0.000 1.031 255 V CA -0.189 62.093 62.300 -0.029 0.000 0.871 255 V CB 1.944 33.702 31.823 -0.109 0.000 0.988 255 V HN 0.602 nan 8.190 nan 0.000 0.432 256 T N 5.842 120.322 114.554 -0.125 0.000 2.797 256 T HA 0.549 4.898 4.350 -0.001 0.000 0.279 256 T C -0.696 173.838 174.700 -0.276 0.000 0.991 256 T CA -0.300 61.646 62.100 -0.257 0.000 0.979 256 T CB 1.370 70.140 68.868 -0.163 0.000 0.943 256 T HN 0.421 nan 8.240 nan 0.000 0.444 257 L N 3.357 124.291 121.223 -0.482 0.000 2.272 257 L HA 0.722 5.061 4.340 -0.001 0.000 0.289 257 L C -0.122 176.636 176.870 -0.186 0.000 1.032 257 L CA 0.016 54.680 54.840 -0.292 0.000 0.810 257 L CB 1.364 43.208 42.059 -0.359 0.000 1.205 257 L HN 0.586 nan 8.230 nan 0.000 0.422 258 S N 4.409 120.060 115.700 -0.082 0.000 2.519 258 S HA 0.743 5.213 4.470 -0.001 0.000 0.309 258 S C -1.069 173.538 174.600 0.012 0.000 1.100 258 S CA -0.551 57.624 58.200 -0.042 0.000 1.059 258 S CB 1.089 64.270 63.200 -0.032 0.000 1.008 258 S HN 0.461 nan 8.310 nan 0.000 0.478 259 V N 8.227 128.158 119.914 0.029 0.000 2.315 259 V HA 0.325 4.444 4.120 -0.001 0.000 0.265 259 V C -1.952 174.187 176.094 0.075 0.000 1.019 259 V CA -1.468 60.880 62.300 0.080 0.000 0.824 259 V CB 0.839 32.726 31.823 0.107 0.000 1.072 259 V HN 0.610 nan 8.190 nan 0.000 0.448 260 P HA -0.209 nan 4.420 nan 0.000 0.215 260 P C 1.619 178.968 177.300 0.083 0.000 1.157 260 P CA 1.361 64.498 63.100 0.062 0.000 0.874 260 P CB 0.510 32.245 31.700 0.058 0.000 0.790 261 E N -0.444 119.839 120.200 0.139 0.000 2.153 261 E HA -0.145 4.204 4.350 -0.001 0.000 0.194 261 E C 1.247 177.931 176.600 0.140 0.000 0.988 261 E CA 0.842 57.347 56.400 0.175 0.000 0.811 261 E CB -0.423 29.461 29.700 0.307 0.000 0.746 261 E HN 0.200 nan 8.360 nan 0.000 0.466 262 L N -0.695 120.580 121.223 0.086 0.000 2.700 262 L HA 0.316 4.656 4.340 -0.001 0.000 0.234 262 L C 1.182 178.048 176.870 -0.006 0.000 1.156 262 L CA 0.196 55.033 54.840 -0.005 0.000 0.946 262 L CB 0.564 42.545 42.059 -0.130 0.000 1.216 262 L HN 0.292 nan 8.230 nan 0.000 0.493 263 G N 0.640 109.450 108.800 0.015 0.000 2.179 263 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.257 263 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.257 263 G C 0.165 175.059 174.900 -0.010 0.000 1.010 263 G CA 0.162 45.264 45.100 0.003 0.000 0.736 263 G HN 0.150 nan 8.290 nan 0.000 0.513 264 V N 1.182 121.091 119.914 -0.009 0.000 2.432 264 V HA 0.515 4.635 4.120 -0.001 0.000 0.271 264 V C 0.440 176.507 176.094 -0.044 0.000 1.046 264 V CA -0.406 61.880 62.300 -0.023 0.000 0.945 264 V CB 1.675 33.495 31.823 -0.005 0.000 0.992 264 V HN 0.439 nan 8.190 nan 0.000 0.471 265 N N 4.554 123.211 118.700 -0.072 0.000 2.685 265 N HA 0.257 4.997 4.740 -0.001 0.000 0.252 265 N C -1.601 173.814 175.510 -0.158 0.000 1.261 265 N CA -0.100 52.887 53.050 -0.105 0.000 0.768 265 N CB 1.864 40.308 38.487 -0.072 0.000 1.304 265 N HN 0.382 nan 8.380 nan 0.000 0.536 266 V N 2.164 121.917 119.914 -0.268 0.000 2.398 266 V HA 0.453 4.572 4.120 -0.001 0.000 0.286 266 V C 0.341 176.082 176.094 -0.589 0.000 1.026 266 V CA -0.302 61.765 62.300 -0.389 0.000 0.868 266 V CB 1.587 33.149 31.823 -0.435 0.000 0.982 266 V HN 0.414 nan 8.190 nan 0.000 0.443 267 T N 5.131 119.446 114.554 -0.399 0.000 2.758 267 T HA 0.372 4.722 4.350 -0.001 0.000 0.285 267 T C -0.708 173.890 174.700 -0.171 0.000 0.981 267 T CA -0.260 61.659 62.100 -0.303 0.000 0.965 267 T CB 0.447 69.247 68.868 -0.114 0.000 0.927 267 T HN 0.559 nan 8.240 nan 0.000 0.448 268 W N 3.688 125.059 121.300 0.119 0.000 2.316 268 W HA 0.364 5.024 4.660 -0.001 0.000 0.308 268 W C 0.904 177.574 176.519 0.252 0.000 1.106 268 W CA -1.247 56.202 57.345 0.173 0.000 1.262 268 W CB 0.514 30.123 29.460 0.248 0.000 1.233 268 W HN 0.716 nan 8.180 nan 0.000 0.447 269 K N 1.534 122.135 120.400 0.335 0.000 2.361 269 K HA 0.018 4.337 4.320 -0.001 0.000 0.196 269 K C 0.717 177.399 176.600 0.136 0.000 1.039 269 K CA 0.589 57.015 56.287 0.232 0.000 1.001 269 K CB 0.475 33.049 32.500 0.124 0.000 0.795 269 K HN 0.354 nan 8.250 nan 0.000 0.495 270 S N -1.975 113.690 115.700 -0.059 0.000 2.596 270 S HA 0.512 4.982 4.470 -0.001 0.000 0.270 270 S C 0.653 174.684 174.600 -0.948 0.000 1.155 270 S CA -0.514 57.337 58.200 -0.582 0.000 0.827 270 S CB 1.661 64.678 63.200 -0.304 0.000 1.130 270 S HN -0.026 nan 8.310 nan 0.000 0.467 271 A N 0.939 122.905 122.820 -1.423 0.000 1.958 271 A HA -0.151 4.168 4.320 -0.001 0.000 0.221 271 A C 1.714 179.075 177.584 -0.372 0.000 1.178 271 A CA 2.362 53.931 52.037 -0.781 0.000 0.642 271 A CB -1.216 17.510 19.000 -0.456 0.000 0.816 271 A HN 0.885 nan 8.150 nan 0.000 0.453 272 E N -0.071 119.946 120.200 -0.304 0.000 2.274 272 E HA -0.083 4.266 4.350 -0.001 0.000 0.194 272 E C 1.789 178.298 176.600 -0.151 0.000 0.996 272 E CA 1.082 57.371 56.400 -0.186 0.000 0.840 272 E CB -0.132 29.485 29.700 -0.139 0.000 0.772 272 E HN 0.773 nan 8.360 nan 0.000 0.491 273 E N 0.025 120.142 120.200 -0.138 0.000 2.371 273 E HA 0.008 4.357 4.350 -0.001 0.000 0.194 273 E C -0.015 176.462 176.600 -0.205 0.000 1.012 273 E CA 0.028 56.407 56.400 -0.035 0.000 0.860 273 E CB 0.407 30.194 29.700 0.145 0.000 0.811 273 E HN 0.021 nan 8.360 nan 0.000 0.502 274 V N 2.059 121.646 119.914 -0.545 0.000 2.509 274 V HA 0.145 4.264 4.120 -0.001 0.000 0.297 274 V C 0.220 175.962 176.094 -0.586 0.000 1.014 274 V CA 0.362 61.956 62.300 -1.178 0.000 1.127 274 V CB 0.274 31.536 31.823 -0.935 0.000 0.925 274 V HN 0.191 nan 8.190 nan 0.000 0.480 275 A N 6.819 129.388 122.820 -0.418 0.000 2.612 275 A HA 0.863 5.183 4.320 -0.001 0.000 0.293 275 A C -3.060 174.526 177.584 0.002 0.000 1.075 275 A CA -1.549 50.415 52.037 -0.121 0.000 0.680 275 A CB 1.646 20.634 19.000 -0.019 0.000 1.279 275 A HN 0.598 nan 8.150 nan 0.000 0.411 276 P HA 0.506 nan 4.420 nan 0.000 0.270 276 P C -1.183 176.164 177.300 0.079 0.000 1.223 276 P CA 0.080 63.197 63.100 0.028 0.000 0.785 276 P CB 0.231 31.927 31.700 -0.008 0.000 0.923 277 L N 0.380 121.657 121.223 0.091 0.000 2.409 277 L HA 0.756 5.095 4.340 -0.001 0.000 0.262 277 L C -0.265 176.639 176.870 0.057 0.000 0.992 277 L CA -0.949 53.942 54.840 0.085 0.000 0.817 277 L CB 1.461 43.588 42.059 0.114 0.000 1.350 277 L HN 0.293 nan 8.230 nan 0.000 0.411 278 A N 2.459 125.294 122.820 0.024 0.000 2.318 278 A HA 0.945 5.264 4.320 -0.001 0.000 0.324 278 A C -1.276 176.287 177.584 -0.036 0.000 1.170 278 A CA -0.377 51.655 52.037 -0.008 0.000 0.810 278 A CB 0.818 19.803 19.000 -0.024 0.000 1.198 278 A HN 0.530 nan 8.150 nan 0.000 0.484 279 L N 2.167 123.341 121.223 -0.082 0.000 2.376 279 L HA 0.422 4.761 4.340 -0.001 0.000 0.275 279 L C 0.114 176.891 176.870 -0.154 0.000 0.987 279 L CA -0.058 54.706 54.840 -0.126 0.000 0.828 279 L CB 1.629 43.572 42.059 -0.194 0.000 1.249 279 L HN 0.787 nan 8.230 nan 0.000 0.409 280 E N 1.945 122.078 120.200 -0.112 0.000 2.374 280 E HA 0.279 4.629 4.350 -0.001 0.000 0.260 280 E C -0.262 176.283 176.600 -0.091 0.000 1.101 280 E CA -0.384 55.958 56.400 -0.098 0.000 0.907 280 E CB 0.228 29.889 29.700 -0.066 0.000 1.014 280 E HN 0.579 nan 8.360 nan 0.000 0.427 281 N N -0.604 118.062 118.700 -0.056 0.000 2.756 281 N HA -0.163 4.576 4.740 -0.001 0.000 0.248 281 N C -1.437 174.075 175.510 0.003 0.000 1.062 281 N CA -0.111 52.938 53.050 -0.002 0.000 0.696 281 N CB -1.006 37.486 38.487 0.008 0.000 0.946 281 N HN 0.047 nan 8.380 nan 0.000 0.548 282 V N 0.310 120.223 119.914 -0.001 0.000 2.427 282 V HA 0.260 4.379 4.120 -0.001 0.000 0.286 282 V C 0.531 176.817 176.094 0.319 0.000 1.034 282 V CA -0.588 61.700 62.300 -0.021 0.000 0.893 282 V CB 1.740 33.325 31.823 -0.397 0.000 0.982 282 V HN 0.116 nan 8.190 nan 0.000 0.452 283 E N 6.142 126.558 120.200 0.359 0.000 2.283 283 E HA 0.347 4.697 4.350 -0.001 0.000 0.278 283 E C -2.438 174.253 176.600 0.153 0.000 1.027 283 E CA -1.803 54.753 56.400 0.260 0.000 0.843 283 E CB 1.668 31.480 29.700 0.187 0.000 1.062 283 E HN 0.425 nan 8.360 nan 0.000 0.401 284 P HA 0.088 nan 4.420 nan 0.000 0.276 284 P C -0.652 176.608 177.300 -0.066 0.000 1.244 284 P CA -0.508 62.298 63.100 -0.490 0.000 0.801 284 P CB 0.731 31.557 31.700 -1.457 0.000 1.006 285 W N 2.827 124.107 121.300 -0.032 0.000 2.316 285 W HA 0.403 5.062 4.660 -0.001 0.000 0.311 285 W C -0.327 176.178 176.519 -0.024 0.000 1.217 285 W CA 0.706 58.051 57.345 -0.001 0.000 1.199 285 W CB 0.898 30.401 29.460 0.071 0.000 1.202 285 W HN 0.506 nan 8.180 nan 0.000 0.528 286 S N 3.197 118.421 115.700 -0.794 0.000 2.638 286 S HA 0.674 5.143 4.470 -0.001 0.000 0.274 286 S C 0.322 173.845 174.600 -1.795 0.000 1.157 286 S CA -0.396 57.274 58.200 -0.883 0.000 0.826 286 S CB 1.267 64.349 63.200 -0.197 0.000 1.139 286 S HN 0.908 nan 8.310 nan 0.000 0.474 287 A N 0.829 122.500 122.820 -1.915 0.000 1.908 287 A HA -0.060 4.259 4.320 -0.001 0.000 0.218 287 A C 1.845 178.882 177.584 -0.912 0.000 1.181 287 A CA 1.907 53.036 52.037 -1.513 0.000 0.627 287 A CB -1.169 16.825 19.000 -1.676 0.000 0.818 287 A HN 0.915 nan 8.150 nan 0.000 0.445 288 E N -0.964 118.863 120.200 -0.623 0.000 2.106 288 E HA -0.010 4.339 4.350 -0.001 0.000 0.192 288 E C -0.308 176.086 176.600 -0.344 0.000 0.984 288 E CA 1.049 57.236 56.400 -0.356 0.000 0.806 288 E CB 0.061 29.664 29.700 -0.162 0.000 0.750 288 E HN 0.324 nan 8.360 nan 0.000 0.458 289 V N 2.493 122.142 119.914 -0.443 0.000 2.315 289 V HA 0.159 4.278 4.120 -0.001 0.000 0.265 289 V C -2.458 173.281 176.094 -0.593 0.000 1.019 289 V CA -1.201 60.872 62.300 -0.379 0.000 0.824 289 V CB 1.137 32.814 31.823 -0.244 0.000 1.072 289 V HN 0.035 nan 8.190 nan 0.000 0.448 290 P HA 0.149 nan 4.420 nan 0.000 0.226 290 P C 0.096 177.233 177.300 -0.271 0.000 1.783 290 P CA -0.428 62.114 63.100 -0.931 0.000 0.980 290 P CB 0.037 31.437 31.700 -0.500 0.000 1.967 291 R N 2.325 122.713 120.500 -0.188 0.000 2.421 291 R HA 0.251 4.590 4.340 -0.001 0.000 0.305 291 R C -0.655 175.775 176.300 0.215 0.000 1.039 291 R CA 0.395 56.491 56.100 -0.007 0.000 1.003 291 R CB -0.643 29.636 30.300 -0.035 0.000 0.959 291 R HN 0.263 nan 8.270 nan 0.000 0.427 292 L N 5.415 126.693 121.223 0.091 0.000 2.342 292 L HA 0.482 4.821 4.340 -0.001 0.000 0.271 292 L C -0.913 175.935 176.870 -0.036 0.000 1.008 292 L CA -1.089 53.848 54.840 0.162 0.000 0.818 292 L CB 1.643 43.814 42.059 0.187 0.000 1.296 292 L HN 0.583 nan 8.230 nan 0.000 0.427 293 Y N 0.680 121.108 120.300 0.214 0.000 2.352 293 Y HA 0.311 4.861 4.550 -0.001 0.000 0.339 293 Y C 0.183 176.165 175.900 0.137 0.000 0.992 293 Y CA -0.947 57.272 58.100 0.199 0.000 1.100 293 Y CB 1.492 40.142 38.460 0.316 0.000 1.192 293 Y HN 0.396 nan 8.280 nan 0.000 0.458 294 E N 2.262 122.603 120.200 0.235 0.000 2.344 294 E HA 0.507 4.856 4.350 -0.001 0.000 0.270 294 E C -0.584 176.108 176.600 0.153 0.000 1.021 294 E CA -0.057 56.434 56.400 0.151 0.000 0.887 294 E CB 1.196 30.957 29.700 0.101 0.000 0.997 294 E HN 0.707 nan 8.360 nan 0.000 0.429 295 A N 1.975 124.861 122.820 0.110 0.000 2.566 295 A HA 0.737 5.056 4.320 -0.001 0.000 0.292 295 A C -0.730 176.888 177.584 0.056 0.000 1.112 295 A CA -0.468 51.622 52.037 0.088 0.000 0.707 295 A CB 1.647 20.705 19.000 0.097 0.000 1.302 295 A HN 0.612 nan 8.150 nan 0.000 0.409 296 S N -0.927 114.796 115.700 0.037 0.000 2.579 296 S HA 0.785 5.254 4.470 -0.001 0.000 0.272 296 S C -0.895 173.715 174.600 0.016 0.000 1.141 296 S CA -0.140 58.074 58.200 0.023 0.000 0.843 296 S CB 1.091 64.296 63.200 0.008 0.000 1.122 296 S HN 2.087 nan 8.310 nan 0.000 0.468 297 V N -0.156 119.770 119.914 0.020 0.000 2.487 297 V HA 0.972 5.092 4.120 -0.001 0.000 0.298 297 V C -0.386 175.703 176.094 -0.008 0.000 1.028 297 V CA -0.427 61.888 62.300 0.024 0.000 0.860 297 V CB 0.683 32.566 31.823 0.099 0.000 0.991 297 V HN 1.342 nan 8.190 nan 0.000 0.427 298 S N 2.470 118.150 115.700 -0.033 0.000 2.546 298 S HA 0.904 5.374 4.470 -0.001 0.000 0.274 298 S C -0.330 174.227 174.600 -0.072 0.000 1.121 298 S CA -0.146 58.023 58.200 -0.051 0.000 0.887 298 S CB 1.781 64.954 63.200 -0.046 0.000 1.094 298 S HN 1.769 nan 8.310 nan 0.000 0.474 299 S N 0.881 116.531 115.700 -0.083 0.000 2.726 299 S HA 0.818 5.287 4.470 -0.001 0.000 0.308 299 S C 1.332 175.896 174.600 -0.061 0.000 1.115 299 S CA -0.489 57.657 58.200 -0.091 0.000 0.965 299 S CB 0.880 64.004 63.200 -0.127 0.000 1.145 299 S HN 1.556 nan 8.310 nan 0.000 0.532 300 A N 0.539 123.331 122.820 -0.046 0.000 1.986 300 A HA 0.081 4.400 4.320 -0.001 0.000 0.220 300 A C 2.119 179.680 177.584 -0.037 0.000 1.171 300 A CA 2.116 54.133 52.037 -0.032 0.000 0.640 300 A CB -1.491 17.498 19.000 -0.019 0.000 0.811 300 A HN 1.382 nan 8.150 nan 0.000 0.451 301 A N -1.996 120.795 122.820 -0.048 0.000 2.115 301 A HA 0.371 4.691 4.320 -0.001 0.000 0.211 301 A C 0.748 178.294 177.584 -0.063 0.000 1.169 301 A CA 0.794 52.800 52.037 -0.052 0.000 0.787 301 A CB 0.097 19.063 19.000 -0.056 0.000 0.858 301 A HN 0.545 nan 8.150 nan 0.000 0.474 302 E N -1.013 119.147 120.200 -0.066 0.000 2.352 302 E HA 0.486 4.835 4.350 -0.001 0.000 0.280 302 E C -1.677 174.887 176.600 -0.059 0.000 0.930 302 E CA -0.378 55.981 56.400 -0.069 0.000 0.765 302 E CB 1.734 31.384 29.700 -0.084 0.000 1.219 302 E HN 0.044 nan 8.360 nan 0.000 0.434 303 S N 3.669 119.338 115.700 -0.052 0.000 2.532 303 S HA 0.596 5.065 4.470 -0.001 0.000 0.299 303 S C -1.037 173.540 174.600 -0.037 0.000 1.105 303 S CA -0.561 57.615 58.200 -0.040 0.000 1.018 303 S CB 0.599 63.781 63.200 -0.031 0.000 1.021 303 S HN 0.436 nan 8.310 nan 0.000 0.483 304 I N 4.150 124.703 120.570 -0.028 0.000 2.378 304 I HA 0.353 4.522 4.170 -0.001 0.000 0.291 304 I C 0.013 176.131 176.117 0.001 0.000 0.992 304 I CA -0.451 60.835 61.300 -0.024 0.000 1.154 304 I CB 2.051 40.035 38.000 -0.027 0.000 1.315 304 I HN 0.647 nan 8.210 nan 0.000 0.448 305 S N 5.921 121.630 115.700 0.015 0.000 2.489 305 S HA 0.816 5.286 4.470 -0.001 0.000 0.291 305 S C -0.541 174.095 174.600 0.060 0.000 1.151 305 S CA -0.705 57.513 58.200 0.030 0.000 1.082 305 S CB 1.845 65.052 63.200 0.011 0.000 1.019 305 S HN 0.303 nan 8.310 nan 0.000 0.492 306 V N 2.567 122.517 119.914 0.059 0.000 2.789 306 V HA 0.529 4.649 4.120 -0.001 0.000 0.311 306 V C -0.366 175.772 176.094 0.073 0.000 1.073 306 V CA -1.058 61.282 62.300 0.068 0.000 0.921 306 V CB 1.892 33.743 31.823 0.047 0.000 1.009 306 V HN 0.924 nan 8.190 nan 0.000 0.426 307 R N 3.835 124.386 120.500 0.084 0.000 2.229 307 R HA 0.652 4.991 4.340 -0.001 0.000 0.328 307 R C -1.120 175.212 176.300 0.055 0.000 1.009 307 R CA -0.517 55.639 56.100 0.094 0.000 0.864 307 R CB 1.159 31.528 30.300 0.115 0.000 1.085 307 R HN 0.558 nan 8.270 nan 0.000 0.453 308 L N 2.363 123.626 121.223 0.067 0.000 2.276 308 L HA 0.424 4.764 4.340 -0.001 0.000 0.286 308 L C 0.735 177.604 176.870 -0.001 0.000 1.061 308 L CA -0.535 54.254 54.840 -0.085 0.000 0.807 308 L CB 1.529 43.449 42.059 -0.231 0.000 1.177 308 L HN 0.755 nan 8.230 nan 0.000 0.429 309 G N 2.969 111.693 108.800 -0.127 0.000 2.437 309 G HA2 0.550 4.510 3.960 -0.001 0.000 0.315 309 G HA3 0.550 4.510 3.960 -0.001 0.000 0.315 309 G C -0.968 173.943 174.900 0.019 0.000 1.210 309 G CA -0.337 44.794 45.100 0.052 0.000 0.943 309 G HN 0.305 nan 8.290 nan 0.000 0.471 310 F N 2.431 122.576 119.950 0.325 0.000 2.413 310 F HA 0.580 5.107 4.527 -0.001 0.000 0.359 310 F C 0.876 176.868 175.800 0.320 0.000 1.122 310 F CA -0.434 57.746 58.000 0.299 0.000 1.160 310 F CB 1.314 40.519 39.000 0.341 0.000 1.146 310 F HN 0.595 nan 8.300 nan 0.000 0.514 311 R N 0.072 120.834 120.500 0.438 0.000 2.634 311 R HA 0.668 5.008 4.340 -0.001 0.000 0.263 311 R C -1.784 174.722 176.300 0.343 0.000 1.060 311 R CA -0.871 55.481 56.100 0.421 0.000 0.898 311 R CB 1.044 31.619 30.300 0.458 0.000 1.253 311 R HN 0.263 nan 8.270 nan 0.000 0.461 312 T N 1.793 116.551 114.554 0.341 0.000 2.809 312 T HA 0.447 4.797 4.350 -0.001 0.000 0.284 312 T C -0.742 174.051 174.700 0.155 0.000 0.992 312 T CA -0.720 61.517 62.100 0.228 0.000 0.957 312 T CB 1.478 70.478 68.868 0.220 0.000 0.942 312 T HN 0.379 nan 8.240 nan 0.000 0.439 313 V N 4.636 124.594 119.914 0.073 0.000 2.432 313 V HA 0.597 4.716 4.120 -0.001 0.000 0.275 313 V C 0.349 176.362 176.094 -0.135 0.000 1.043 313 V CA -0.631 61.625 62.300 -0.073 0.000 0.925 313 V CB 1.045 32.818 31.823 -0.084 0.000 0.985 313 V HN 0.711 nan 8.190 nan 0.000 0.466 314 R N 4.354 124.720 120.500 -0.224 0.000 2.564 314 R HA 0.604 4.943 4.340 -0.001 0.000 0.284 314 R C -1.558 174.588 176.300 -0.256 0.000 1.031 314 R CA -0.709 55.288 56.100 -0.171 0.000 0.904 314 R CB 1.726 31.990 30.300 -0.059 0.000 1.199 314 R HN 0.702 nan 8.270 nan 0.000 0.443 315 I N 4.461 124.910 120.570 -0.201 0.000 2.331 315 I HA 0.275 4.444 4.170 -0.001 0.000 0.292 315 I C -0.479 175.618 176.117 -0.034 0.000 0.998 315 I CA -0.792 60.435 61.300 -0.122 0.000 1.267 315 I CB 1.854 39.814 38.000 -0.067 0.000 1.386 315 I HN 0.247 nan 8.210 nan 0.000 0.476 316 V N 6.622 126.541 119.914 0.008 0.000 2.325 316 V HA 0.559 4.678 4.120 -0.001 0.000 0.280 316 V C 0.779 176.907 176.094 0.056 0.000 1.016 316 V CA 0.017 62.335 62.300 0.029 0.000 0.818 316 V CB 0.450 32.292 31.823 0.033 0.000 1.019 316 V HN 1.135 nan 8.190 nan 0.000 0.434 317 G N 5.541 114.372 108.800 0.051 0.000 2.596 317 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.304 317 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.304 317 G C 0.441 175.399 174.900 0.096 0.000 1.189 317 G CA 0.727 45.867 45.100 0.066 0.000 0.986 317 G HN 0.999 nan 8.290 nan 0.000 0.548 318 D N 0.987 121.463 120.400 0.128 0.000 2.358 318 D HA 0.264 4.903 4.640 -0.001 0.000 0.224 318 D C 0.570 177.048 176.300 0.296 0.000 1.123 318 D CA 0.412 54.525 54.000 0.189 0.000 0.833 318 D CB 0.216 41.125 40.800 0.181 0.000 0.946 318 D HN 0.434 nan 8.370 nan 0.000 0.505 319 Q N 0.372 120.319 119.800 0.245 0.000 2.316 319 Q HA 0.309 4.648 4.340 -0.001 0.000 0.264 319 Q C -1.284 174.856 176.000 0.232 0.000 0.987 319 Q CA -0.715 55.294 55.803 0.343 0.000 0.852 319 Q CB 2.051 30.931 28.738 0.236 0.000 1.287 319 Q HN 0.258 nan 8.270 nan 0.000 0.448 320 F N 3.942 123.932 119.950 0.067 0.000 2.334 320 F HA 0.380 4.907 4.527 -0.001 0.000 0.367 320 F C -0.917 174.901 175.800 0.031 0.000 1.115 320 F CA -0.540 57.416 58.000 -0.073 0.000 1.116 320 F CB 0.429 39.243 39.000 -0.310 0.000 1.230 320 F HN 0.353 nan 8.300 nan 0.000 0.484 321 L N 6.607 127.773 121.223 -0.095 0.000 2.325 321 L HA 0.694 5.034 4.340 -0.001 0.000 0.278 321 L C -0.919 175.918 176.870 -0.055 0.000 1.023 321 L CA -1.217 53.635 54.840 0.020 0.000 0.811 321 L CB 1.803 43.886 42.059 0.040 0.000 1.249 321 L HN 0.209 nan 8.230 nan 0.000 0.431 322 V N 2.182 122.149 119.914 0.088 0.000 2.531 322 V HA 0.335 4.455 4.120 -0.001 0.000 0.301 322 V C -0.154 176.146 176.094 0.344 0.000 1.034 322 V CA -0.713 61.671 62.300 0.139 0.000 0.865 322 V CB 1.553 33.361 31.823 -0.025 0.000 0.995 322 V HN 0.899 nan 8.190 nan 0.000 0.424 323 N N 3.638 122.537 118.700 0.331 0.000 2.725 323 N HA -0.208 4.531 4.740 -0.001 0.000 0.249 323 N C 1.113 176.834 175.510 0.352 0.000 1.103 323 N CA 1.634 54.937 53.050 0.421 0.000 0.707 323 N CB -1.209 37.441 38.487 0.272 0.000 1.043 323 N HN 1.627 nan 8.380 nan 0.000 0.553 324 G N -1.336 107.610 108.800 0.243 0.000 2.179 324 G HA2 -0.350 3.610 3.960 -0.001 0.000 0.260 324 G HA3 -0.350 3.610 3.960 -0.001 0.000 0.260 324 G C 0.058 175.031 174.900 0.122 0.000 0.977 324 G CA 0.624 45.823 45.100 0.166 0.000 0.641 324 G HN 0.593 nan 8.290 nan 0.000 0.533 325 R N -0.423 120.160 120.500 0.138 0.000 2.686 325 R HA 0.527 4.867 4.340 -0.001 0.000 0.283 325 R C 0.342 176.766 176.300 0.205 0.000 0.978 325 R CA -1.017 55.138 56.100 0.092 0.000 0.897 325 R CB 1.525 31.757 30.300 -0.114 0.000 1.192 325 R HN 0.245 nan 8.270 nan 0.000 0.457 326 R N 1.916 122.516 120.500 0.166 0.000 2.522 326 R HA 0.079 4.419 4.340 -0.001 0.000 0.284 326 R C -0.767 175.633 176.300 0.166 0.000 1.032 326 R CA 0.048 56.263 56.100 0.191 0.000 1.049 326 R CB 0.539 30.913 30.300 0.123 0.000 0.956 326 R HN 0.278 nan 8.270 nan 0.000 0.422 327 V N 6.085 126.014 119.914 0.025 0.000 2.383 327 V HA 0.189 4.308 4.120 -0.001 0.000 0.275 327 V C -0.106 175.717 176.094 -0.452 0.000 1.036 327 V CA -0.615 61.431 62.300 -0.424 0.000 0.889 327 V CB 1.590 32.764 31.823 -1.081 0.000 0.985 327 V HN 0.523 nan 8.190 nan 0.000 0.459 328 V N 6.047 125.705 119.914 -0.427 0.000 2.383 328 V HA 0.403 4.522 4.120 -0.001 0.000 0.275 328 V C -0.287 175.420 176.094 -0.645 0.000 1.036 328 V CA -0.400 61.643 62.300 -0.428 0.000 0.889 328 V CB 1.009 32.630 31.823 -0.337 0.000 0.985 328 V HN 0.640 nan 8.190 nan 0.000 0.459 329 F N 4.209 123.938 119.950 -0.369 0.000 2.424 329 F HA 0.399 4.926 4.527 -0.001 0.000 0.356 329 F C 0.799 176.337 175.800 -0.437 0.000 1.110 329 F CA -0.250 57.509 58.000 -0.401 0.000 1.161 329 F CB 0.469 39.187 39.000 -0.471 0.000 1.115 329 F HN 0.477 nan 8.300 nan 0.000 0.507 330 H N 2.968 122.044 119.070 0.008 0.000 2.572 330 H HA 0.391 4.947 4.556 -0.001 0.000 0.248 330 H C 0.411 175.804 175.328 0.107 0.000 1.397 330 H CA -0.655 55.446 56.048 0.089 0.000 1.319 330 H CB 0.644 30.444 29.762 0.062 0.000 1.452 330 H HN 0.762 nan 8.280 nan 0.000 0.535 331 G N 0.544 109.287 108.800 -0.096 0.000 2.537 331 G HA2 0.575 4.534 3.960 -0.001 0.000 0.323 331 G HA3 0.575 4.534 3.960 -0.001 0.000 0.323 331 G C -0.414 174.441 174.900 -0.075 0.000 1.207 331 G CA -0.639 44.241 45.100 -0.366 0.000 0.976 331 G HN 0.331 nan 8.290 nan 0.000 0.487 332 V N -1.940 117.996 119.914 0.037 0.000 2.962 332 V HA 0.592 4.711 4.120 -0.001 0.000 0.313 332 V C -0.601 175.572 176.094 0.130 0.000 1.099 332 V CA -1.533 60.784 62.300 0.029 0.000 0.971 332 V CB 2.044 33.787 31.823 -0.134 0.000 1.028 332 V HN 0.624 nan 8.190 nan 0.000 0.430 333 N N 3.296 122.017 118.700 0.034 0.000 2.458 333 N HA 0.394 5.134 4.740 -0.001 0.000 0.270 333 N C -0.702 174.669 175.510 -0.232 0.000 1.102 333 N CA -0.264 52.726 53.050 -0.100 0.000 0.967 333 N CB 1.433 39.831 38.487 -0.148 0.000 1.078 333 N HN 0.741 nan 8.380 nan 0.000 0.471 334 R N 2.306 122.687 120.500 -0.199 0.000 2.621 334 R HA 0.273 4.612 4.340 -0.001 0.000 0.284 334 R C -1.350 174.885 176.300 -0.108 0.000 0.998 334 R CA -0.509 55.486 56.100 -0.176 0.000 0.895 334 R CB 1.270 31.439 30.300 -0.219 0.000 1.195 334 R HN 0.829 nan 8.270 nan 0.000 0.450 335 H N -0.340 118.683 119.070 -0.078 0.000 2.949 335 H HA 0.463 5.018 4.556 -0.001 0.000 0.356 335 H C -1.213 174.179 175.328 0.107 0.000 1.212 335 H CA -0.985 55.052 56.048 -0.018 0.000 1.136 335 H CB 0.887 30.599 29.762 -0.084 0.000 1.869 335 H HN 0.400 nan 8.280 nan 0.000 0.556 336 E N 0.186 120.581 120.200 0.326 0.000 2.376 336 E HA 0.347 4.697 4.350 -0.001 0.000 0.266 336 E C -0.796 175.959 176.600 0.259 0.000 1.009 336 E CA 0.364 56.926 56.400 0.270 0.000 0.902 336 E CB 0.607 30.509 29.700 0.337 0.000 0.972 336 E HN 0.672 nan 8.360 nan 0.000 0.439 337 T N 4.339 119.004 114.554 0.186 0.000 3.097 337 T HA 0.300 4.649 4.350 -0.001 0.000 0.332 337 T C -2.166 172.650 174.700 0.193 0.000 1.269 337 T CA -0.608 61.608 62.100 0.193 0.000 1.076 337 T CB 0.500 69.508 68.868 0.233 0.000 1.209 337 T HN 0.493 nan 8.240 nan 0.000 0.474 338 H N 4.282 123.399 119.070 0.078 0.000 3.026 338 H HA 0.315 4.870 4.556 -0.001 0.000 0.352 338 H C -2.548 172.800 175.328 0.035 0.000 1.090 338 H CA -1.444 54.628 56.048 0.040 0.000 1.268 338 H CB 2.867 32.652 29.762 0.039 0.000 1.816 338 H HN 0.342 nan 8.280 nan 0.000 0.518 339 P HA -0.065 nan 4.420 nan 0.000 0.225 339 P C 0.435 177.800 177.300 0.109 0.000 1.148 339 P CA 1.132 64.230 63.100 -0.003 0.000 0.779 339 P CB 0.587 32.326 31.700 0.064 0.000 0.780 340 D N -1.429 119.151 120.400 0.300 0.000 2.463 340 D HA 0.058 4.698 4.640 -0.001 0.000 0.237 340 D C 1.729 178.128 176.300 0.165 0.000 1.013 340 D CA 0.618 54.757 54.000 0.231 0.000 0.910 340 D CB 0.073 41.028 40.800 0.258 0.000 1.080 340 D HN 0.332 nan 8.370 nan 0.000 0.498 341 R N 0.287 120.918 120.500 0.219 0.000 2.437 341 R HA 0.429 4.768 4.340 -0.001 0.000 0.257 341 R C 1.245 177.670 176.300 0.208 0.000 0.927 341 R CA 0.419 56.594 56.100 0.124 0.000 1.078 341 R CB 0.635 30.934 30.300 -0.002 0.000 1.161 341 R HN 0.014 nan 8.270 nan 0.000 0.529 342 G N 2.373 111.279 108.800 0.177 0.000 2.536 342 G HA2 -0.385 3.575 3.960 -0.001 0.000 0.280 342 G HA3 -0.385 3.575 3.960 -0.001 0.000 0.280 342 G C 0.329 175.375 174.900 0.244 0.000 1.152 342 G CA 0.267 45.434 45.100 0.112 0.000 0.970 342 G HN 0.332 nan 8.290 nan 0.000 0.549 343 R N -0.121 120.635 120.500 0.427 0.000 2.426 343 R HA 0.389 4.729 4.340 -0.001 0.000 0.263 343 R C 0.331 176.883 176.300 0.421 0.000 0.961 343 R CA -0.047 56.272 56.100 0.365 0.000 1.086 343 R CB 0.522 30.916 30.300 0.158 0.000 1.186 343 R HN 0.265 nan 8.270 nan 0.000 0.537 344 V N 2.106 122.216 119.914 0.327 0.000 2.555 344 V HA 0.029 4.148 4.120 -0.001 0.000 0.286 344 V C 0.076 176.290 176.094 0.199 0.000 1.044 344 V CA -0.313 62.123 62.300 0.227 0.000 1.026 344 V CB 0.314 32.185 31.823 0.081 0.000 0.981 344 V HN 0.071 nan 8.190 nan 0.000 0.480 345 F N 4.692 124.665 119.950 0.037 0.000 2.399 345 F HA 0.474 5.000 4.527 -0.001 0.000 0.342 345 F C 0.083 175.811 175.800 -0.120 0.000 1.106 345 F CA -0.379 57.581 58.000 -0.067 0.000 1.196 345 F CB 1.041 39.888 39.000 -0.256 0.000 1.163 345 F HN 0.630 nan 8.300 nan 0.000 0.547 346 D N 4.026 123.897 120.400 -0.883 0.000 2.686 346 D HA 0.131 4.770 4.640 -0.001 0.000 0.249 346 D C 0.476 176.146 176.300 -1.049 0.000 1.260 346 D CA -0.363 53.212 54.000 -0.708 0.000 0.910 346 D CB 1.252 41.827 40.800 -0.375 0.000 1.323 346 D HN 0.707 nan 8.370 nan 0.000 0.561 347 E N 3.050 122.759 120.200 -0.818 0.000 2.077 347 E HA -0.233 4.116 4.350 -0.001 0.000 0.193 347 E C 1.695 178.147 176.600 -0.248 0.000 0.989 347 E CA 1.349 57.453 56.400 -0.493 0.000 0.800 347 E CB 0.077 29.769 29.700 -0.013 0.000 0.746 347 E HN 0.582 nan 8.360 nan 0.000 0.452 348 A N 0.735 123.450 122.820 -0.175 0.000 1.883 348 A HA -0.126 4.193 4.320 -0.001 0.000 0.217 348 A C 2.435 179.965 177.584 -0.091 0.000 1.186 348 A CA 1.864 53.848 52.037 -0.088 0.000 0.624 348 A CB -1.263 17.701 19.000 -0.060 0.000 0.822 348 A HN 0.463 nan 8.150 nan 0.000 0.444 349 G N -0.779 107.932 108.800 -0.149 0.000 2.408 349 G HA2 0.048 4.008 3.960 -0.001 0.000 0.217 349 G HA3 0.048 4.008 3.960 -0.001 0.000 0.217 349 G C 1.713 176.563 174.900 -0.083 0.000 1.150 349 G CA 1.377 46.422 45.100 -0.092 0.000 0.776 349 G HN 0.795 nan 8.290 nan 0.000 0.542 350 A N 0.656 123.362 122.820 -0.190 0.000 1.898 350 A HA 0.033 4.353 4.320 -0.001 0.000 0.216 350 A C 2.296 179.871 177.584 -0.015 0.000 1.181 350 A CA 1.784 53.760 52.037 -0.101 0.000 0.620 350 A CB -0.449 18.480 19.000 -0.119 0.000 0.819 350 A HN 0.355 nan 8.150 nan 0.000 0.442 351 R N -0.470 120.027 120.500 -0.004 0.000 2.083 351 R HA -0.216 4.123 4.340 -0.001 0.000 0.237 351 R C 2.171 178.511 176.300 0.068 0.000 1.137 351 R CA 1.947 58.078 56.100 0.052 0.000 0.951 351 R CB -0.247 30.087 30.300 0.057 0.000 0.851 351 R HN 0.450 nan 8.270 nan 0.000 0.434 352 E N 0.811 121.045 120.200 0.055 0.000 2.077 352 E HA -0.207 4.143 4.350 -0.001 0.000 0.193 352 E C 1.416 178.081 176.600 0.108 0.000 0.989 352 E CA 1.922 58.372 56.400 0.083 0.000 0.800 352 E CB -0.452 29.289 29.700 0.068 0.000 0.746 352 E HN 0.357 nan 8.360 nan 0.000 0.452 353 D N -1.028 119.426 120.400 0.090 0.000 2.097 353 D HA -0.135 4.504 4.640 -0.001 0.000 0.195 353 D C 1.729 178.054 176.300 0.041 0.000 0.989 353 D CA 0.889 54.967 54.000 0.131 0.000 0.827 353 D CB -0.125 40.736 40.800 0.101 0.000 0.966 353 D HN 0.180 nan 8.370 nan 0.000 0.456 354 L N 0.328 121.532 121.223 -0.031 0.000 2.141 354 L HA 0.100 4.439 4.340 -0.001 0.000 0.209 354 L C 2.350 179.277 176.870 0.095 0.000 1.094 354 L CA 1.315 56.113 54.840 -0.070 0.000 0.763 354 L CB -0.956 41.075 42.059 -0.045 0.000 0.908 354 L HN 0.061 nan 8.230 nan 0.000 0.437 355 A N -0.893 121.996 122.820 0.115 0.000 1.930 355 A HA -0.187 4.132 4.320 -0.001 0.000 0.217 355 A C 2.226 179.906 177.584 0.159 0.000 1.175 355 A CA 1.582 53.711 52.037 0.154 0.000 0.627 355 A CB -0.740 18.384 19.000 0.208 0.000 0.815 355 A HN 0.325 nan 8.150 nan 0.000 0.443 356 L N -0.425 120.923 121.223 0.208 0.000 2.046 356 L HA -0.132 4.208 4.340 -0.001 0.000 0.208 356 L C 2.469 179.573 176.870 0.390 0.000 1.077 356 L CA 2.082 57.132 54.840 0.351 0.000 0.747 356 L CB -0.602 41.714 42.059 0.427 0.000 0.896 356 L HN 0.453 nan 8.230 nan 0.000 0.432 357 M N -0.788 118.865 119.600 0.088 0.000 2.080 357 M HA -0.257 4.222 4.480 -0.001 0.000 0.260 357 M C 2.176 178.469 176.300 -0.012 0.000 1.068 357 M CA 1.907 57.096 55.300 -0.184 0.000 1.109 357 M CB -0.503 31.777 32.600 -0.534 0.000 1.342 357 M HN 0.149 nan 8.290 nan 0.000 0.405 358 K N 0.005 120.297 120.400 -0.180 0.000 2.103 358 K HA -0.140 4.179 4.320 -0.001 0.000 0.207 358 K C 1.949 178.273 176.600 -0.460 0.000 1.048 358 K CA 1.205 57.089 56.287 -0.672 0.000 0.930 358 K CB -0.365 31.167 32.500 -1.614 0.000 0.716 358 K HN 0.420 nan 8.250 nan 0.000 0.444 359 R N -0.286 120.165 120.500 -0.082 0.000 2.237 359 R HA -0.053 4.287 4.340 -0.001 0.000 0.219 359 R C 0.921 177.193 176.300 -0.046 0.000 1.080 359 R CA 0.823 56.949 56.100 0.042 0.000 0.995 359 R CB -0.005 30.327 30.300 0.053 0.000 0.875 359 R HN 0.135 nan 8.270 nan 0.000 0.462 360 F N 0.269 120.311 119.950 0.153 0.000 2.708 360 F HA 0.239 4.766 4.527 -0.001 0.000 0.300 360 F C 0.194 176.113 175.800 0.199 0.000 1.118 360 F CA -0.446 57.657 58.000 0.171 0.000 1.307 360 F CB 0.373 39.480 39.000 0.179 0.000 0.986 360 F HN -0.068 nan 8.300 nan 0.000 0.522 361 N N -0.613 118.194 118.700 0.177 0.000 2.850 361 N HA -0.155 4.584 4.740 -0.001 0.000 0.249 361 N C -0.490 175.110 175.510 0.151 0.000 1.060 361 N CA 0.418 53.519 53.050 0.085 0.000 0.825 361 N CB -1.560 36.928 38.487 0.002 0.000 1.132 361 N HN 0.026 nan 8.380 nan 0.000 0.564 362 V N 2.126 122.162 119.914 0.203 0.000 2.521 362 V HA 0.102 4.221 4.120 -0.001 0.000 0.286 362 V C 1.437 177.582 176.094 0.085 0.000 1.034 362 V CA 0.320 62.758 62.300 0.229 0.000 1.045 362 V CB 1.384 33.267 31.823 0.100 0.000 0.974 362 V HN 0.449 nan 8.190 nan 0.000 0.480 363 N N 2.697 121.482 118.700 0.141 0.000 2.177 363 N HA 0.408 5.147 4.740 -0.001 0.000 0.218 363 N C -0.338 175.306 175.510 0.224 0.000 1.182 363 N CA 0.405 53.467 53.050 0.019 0.000 0.882 363 N CB 1.152 39.640 38.487 0.003 0.000 1.052 363 N HN 0.679 nan 8.380 nan 0.000 0.519 364 A N 0.148 123.185 122.820 0.362 0.000 2.589 364 A HA 0.716 5.035 4.320 -0.001 0.000 0.296 364 A C -1.701 176.069 177.584 0.312 0.000 1.062 364 A CA -0.720 51.574 52.037 0.429 0.000 0.686 364 A CB 1.022 20.267 19.000 0.408 0.000 1.282 364 A HN 0.142 nan 8.150 nan 0.000 0.404 365 I N 1.064 121.843 120.570 0.349 0.000 2.533 365 I HA 0.510 4.679 4.170 -0.001 0.000 0.290 365 I C -0.016 176.190 176.117 0.148 0.000 1.056 365 I CA -0.502 60.887 61.300 0.149 0.000 1.057 365 I CB 2.203 40.092 38.000 -0.185 0.000 1.240 365 I HN 0.769 nan 8.210 nan 0.000 0.423 366 R N 3.570 124.071 120.500 0.001 0.000 2.294 366 R HA 0.419 4.759 4.340 -0.001 0.000 0.319 366 R C -0.215 175.966 176.300 -0.199 0.000 0.984 366 R CA -0.378 55.532 56.100 -0.317 0.000 0.861 366 R CB 1.289 31.198 30.300 -0.650 0.000 1.104 366 R HN 0.730 nan 8.270 nan 0.000 0.451 367 T N 1.375 115.820 114.554 -0.180 0.000 3.414 367 T HA 0.125 4.474 4.350 -0.001 0.000 0.304 367 T C 0.079 174.618 174.700 -0.267 0.000 1.241 367 T CA -0.680 61.320 62.100 -0.167 0.000 1.076 367 T CB 0.010 68.823 68.868 -0.091 0.000 1.134 367 T HN 0.499 nan 8.240 nan 0.000 0.759 368 S N 3.076 118.560 115.700 -0.360 0.000 2.448 368 S HA 0.246 4.715 4.470 -0.001 0.000 0.279 368 S C -0.273 173.749 174.600 -0.964 0.000 1.195 368 S CA -0.852 56.935 58.200 -0.688 0.000 1.051 368 S CB -0.001 62.793 63.200 -0.677 0.000 0.948 368 S HN 0.749 nan 8.310 nan 0.000 0.493 369 H N 4.000 122.598 119.070 -0.787 0.000 2.379 369 H HA 0.336 4.891 4.556 -0.001 0.000 0.229 369 H C -1.171 174.022 175.328 -0.224 0.000 1.423 369 H CA -0.329 55.530 56.048 -0.314 0.000 1.375 369 H CB -0.118 29.599 29.762 -0.075 0.000 1.592 369 H HN 0.891 nan 8.280 nan 0.000 0.507 370 Y N -2.611 117.742 120.300 0.088 0.000 2.765 370 Y HA 0.381 4.930 4.550 -0.001 0.000 0.350 370 Y C -3.396 172.530 175.900 0.043 0.000 1.196 370 Y CA -3.021 55.117 58.100 0.062 0.000 1.119 370 Y CB -0.000 38.489 38.460 0.050 0.000 1.368 370 Y HN -0.061 nan 8.280 nan 0.000 0.463 371 P HA 0.222 nan 4.420 nan 0.000 0.271 371 P C -2.465 174.957 177.300 0.204 0.000 1.216 371 P CA -0.674 62.523 63.100 0.162 0.000 0.776 371 P CB 0.531 32.278 31.700 0.079 0.000 0.881 372 P HA 0.046 nan 4.420 nan 0.000 0.282 372 P C -0.335 176.936 177.300 -0.049 0.000 1.287 372 P CA -0.184 62.974 63.100 0.096 0.000 0.792 372 P CB 0.358 32.073 31.700 0.026 0.000 1.163 373 H N 1.848 120.798 119.070 -0.200 0.000 3.001 373 H HA -0.003 4.552 4.556 -0.001 0.000 0.334 373 H C -1.256 173.656 175.328 -0.694 0.000 1.034 373 H CA -0.699 55.054 56.048 -0.491 0.000 1.420 373 H CB 0.379 29.695 29.762 -0.743 0.000 1.405 373 H HN 0.198 nan 8.280 nan 0.000 0.593 374 P HA -0.142 nan 4.420 nan 0.000 0.222 374 P C 1.437 178.111 177.300 -1.043 0.000 1.147 374 P CA 0.884 63.358 63.100 -1.043 0.000 0.790 374 P CB 0.263 30.910 31.700 -1.755 0.000 0.780 375 R N 0.268 120.291 120.500 -0.796 0.000 2.148 375 R HA -0.054 4.285 4.340 -0.001 0.000 0.227 375 R C 2.185 178.348 176.300 -0.228 0.000 1.103 375 R CA 0.695 56.555 56.100 -0.400 0.000 0.983 375 R CB -1.791 28.368 30.300 -0.235 0.000 0.874 375 R HN 0.079 nan 8.270 nan 0.000 0.451 376 L N 0.063 121.071 121.223 -0.359 0.000 2.079 376 L HA -0.103 4.237 4.340 -0.001 0.000 0.210 376 L C 1.746 178.542 176.870 -0.123 0.000 1.081 376 L CA 1.657 56.440 54.840 -0.094 0.000 0.752 376 L CB -0.290 41.734 42.059 -0.059 0.000 0.896 376 L HN 0.267 nan 8.230 nan 0.000 0.433 377 L N -0.964 120.090 121.223 -0.281 0.000 2.141 377 L HA -0.184 4.155 4.340 -0.001 0.000 0.209 377 L C 2.147 178.861 176.870 -0.261 0.000 1.094 377 L CA 1.017 55.593 54.840 -0.440 0.000 0.763 377 L CB -0.792 40.662 42.059 -1.009 0.000 0.908 377 L HN 0.226 nan 8.230 nan 0.000 0.437 378 D N 0.145 120.534 120.400 -0.018 0.000 2.104 378 D HA -0.184 4.455 4.640 -0.001 0.000 0.194 378 D C 2.367 178.777 176.300 0.182 0.000 0.994 378 D CA 1.305 55.446 54.000 0.235 0.000 0.830 378 D CB -0.228 40.801 40.800 0.382 0.000 0.959 378 D HN 0.242 nan 8.370 nan 0.000 0.452 379 L N 0.442 121.755 121.223 0.149 0.000 2.042 379 L HA -0.169 4.170 4.340 -0.001 0.000 0.210 379 L C 2.516 179.499 176.870 0.188 0.000 1.076 379 L CA 1.238 56.175 54.840 0.162 0.000 0.749 379 L CB -0.497 41.651 42.059 0.149 0.000 0.893 379 L HN -0.005 nan 8.230 nan 0.000 0.432 380 A N -0.163 122.744 122.820 0.144 0.000 1.898 380 A HA -0.206 4.113 4.320 -0.001 0.000 0.216 380 A C 1.903 179.689 177.584 0.336 0.000 1.181 380 A CA 1.792 53.983 52.037 0.256 0.000 0.620 380 A CB -0.463 18.604 19.000 0.113 0.000 0.819 380 A HN 0.347 nan 8.150 nan 0.000 0.442 381 D N -0.511 120.032 120.400 0.238 0.000 2.123 381 D HA -0.177 4.462 4.640 -0.001 0.000 0.196 381 D C 1.901 178.478 176.300 0.462 0.000 0.992 381 D CA 1.600 55.778 54.000 0.296 0.000 0.833 381 D CB -0.280 40.622 40.800 0.169 0.000 0.954 381 D HN 0.780 nan 8.370 nan 0.000 0.455 382 E N -0.207 120.172 120.200 0.299 0.000 2.076 382 E HA -0.064 4.285 4.350 -0.001 0.000 0.190 382 E C 1.936 178.636 176.600 0.166 0.000 0.979 382 E CA 0.453 56.991 56.400 0.229 0.000 0.807 382 E CB 0.064 29.871 29.700 0.180 0.000 0.761 382 E HN 0.192 nan 8.360 nan 0.000 0.454 383 M N -0.432 119.265 119.600 0.162 0.000 2.435 383 M HA 0.167 4.647 4.480 -0.001 0.000 0.265 383 M C 0.604 176.772 176.300 -0.221 0.000 1.104 383 M CA 0.819 56.144 55.300 0.040 0.000 1.140 383 M CB 0.967 33.650 32.600 0.138 0.000 1.372 383 M HN 0.232 nan 8.290 nan 0.000 0.456 384 G N 1.728 110.447 108.800 -0.136 0.000 2.830 384 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.298 384 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.298 384 G C -1.015 173.460 174.900 -0.708 0.000 1.031 384 G CA -0.816 44.019 45.100 -0.442 0.000 1.179 384 G HN 0.268 nan 8.290 nan 0.000 0.527 385 F N -0.398 119.478 119.950 -0.123 0.000 2.588 385 F HA 0.707 5.234 4.527 -0.001 0.000 0.310 385 F C 0.344 176.162 175.800 0.031 0.000 1.082 385 F CA -1.252 56.665 58.000 -0.139 0.000 0.929 385 F CB 1.413 40.384 39.000 -0.048 0.000 1.254 385 F HN 0.335 nan 8.300 nan 0.000 0.455 386 W N 2.602 124.127 121.300 0.375 0.000 2.304 386 W HA 0.584 5.243 4.660 -0.001 0.000 0.313 386 W C -0.856 175.867 176.519 0.340 0.000 1.323 386 W CA -0.688 56.888 57.345 0.385 0.000 1.223 386 W CB 0.745 30.446 29.460 0.402 0.000 1.237 386 W HN 0.060 nan 8.180 nan 0.000 0.535 387 V N 5.722 125.905 119.914 0.448 0.000 2.495 387 V HA 0.370 4.489 4.120 -0.001 0.000 0.298 387 V C -0.009 176.120 176.094 0.058 0.000 1.031 387 V CA -1.091 61.330 62.300 0.201 0.000 0.871 387 V CB 1.620 33.486 31.823 0.073 0.000 0.988 387 V HN 0.342 nan 8.190 nan 0.000 0.432 388 I N 5.569 126.089 120.570 -0.082 0.000 2.291 388 I HA 0.270 4.439 4.170 -0.001 0.000 0.290 388 I C -0.475 175.549 176.117 -0.154 0.000 1.050 388 I CA -0.374 60.781 61.300 -0.242 0.000 1.245 388 I CB 1.126 38.775 38.000 -0.585 0.000 1.405 388 I HN 0.295 nan 8.210 nan 0.000 0.478 389 L N 7.644 128.830 121.223 -0.061 0.000 2.260 389 L HA 0.391 4.730 4.340 -0.001 0.000 0.289 389 L C -0.099 176.883 176.870 0.186 0.000 1.057 389 L CA 0.152 55.038 54.840 0.077 0.000 0.811 389 L CB 1.118 43.288 42.059 0.185 0.000 1.184 389 L HN 0.663 nan 8.230 nan 0.000 0.429 390 E N 3.926 124.192 120.200 0.109 0.000 2.166 390 E HA 0.177 4.527 4.350 -0.001 0.000 0.275 390 E C -0.765 175.917 176.600 0.137 0.000 0.941 390 E CA -0.603 55.872 56.400 0.125 0.000 0.784 390 E CB 1.637 31.382 29.700 0.075 0.000 1.115 390 E HN 0.777 nan 8.360 nan 0.000 0.399 391 C N 3.654 123.028 119.300 0.123 0.000 2.689 391 C HA 0.078 4.537 4.460 -0.001 0.000 0.409 391 C C 0.411 175.468 174.990 0.112 0.000 1.293 391 C CA -0.202 58.862 59.018 0.075 0.000 2.136 391 C CB 0.082 27.824 27.740 0.004 0.000 2.719 391 C HN 0.770 nan 8.230 nan 0.000 0.644 392 D N 3.093 123.564 120.400 0.117 0.000 2.455 392 D HA 0.387 5.026 4.640 -0.001 0.000 0.234 392 D C -0.784 175.584 176.300 0.114 0.000 1.224 392 D CA 0.307 54.412 54.000 0.175 0.000 0.999 392 D CB -0.401 40.491 40.800 0.154 0.000 1.072 392 D HN 0.489 nan 8.370 nan 0.000 0.514 393 L N 2.704 123.993 121.223 0.110 0.000 2.588 393 L HA 0.479 4.818 4.340 -0.001 0.000 0.263 393 L C -1.709 175.202 176.870 0.068 0.000 0.935 393 L CA -0.352 54.524 54.840 0.060 0.000 0.891 393 L CB 2.119 44.163 42.059 -0.025 0.000 1.318 393 L HN 0.166 nan 8.230 nan 0.000 0.409 394 E N 1.956 122.214 120.200 0.097 0.000 2.349 394 E HA 0.426 4.775 4.350 -0.001 0.000 0.290 394 E C -0.977 175.744 176.600 0.202 0.000 0.901 394 E CA 0.076 56.537 56.400 0.102 0.000 0.800 394 E CB 1.459 31.193 29.700 0.058 0.000 1.303 394 E HN 0.637 nan 8.360 nan 0.000 0.397 395 T N 0.627 115.339 114.554 0.263 0.000 3.293 395 T HA 0.146 4.495 4.350 -0.001 0.000 0.276 395 T C 0.979 176.058 174.700 0.630 0.000 1.003 395 T CA -0.264 62.129 62.100 0.487 0.000 0.916 395 T CB -0.244 68.814 68.868 0.317 0.000 1.134 395 T HN 0.643 nan 8.240 nan 0.000 0.530 396 H N 1.117 120.327 119.070 0.233 0.000 2.387 396 H HA -0.045 4.510 4.556 -0.000 0.000 0.299 396 H C 2.365 177.634 175.328 -0.098 0.000 1.099 396 H CA 1.035 57.158 56.048 0.125 0.000 1.315 396 H CB -0.287 29.455 29.762 -0.034 0.000 1.380 396 H HN 0.570 nan 8.280 nan 0.000 0.513 397 G N -0.676 107.988 108.800 -0.227 0.000 2.535 397 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.218 397 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.218 397 G C 1.056 175.839 174.900 -0.195 0.000 1.122 397 G CA 0.224 45.075 45.100 -0.414 0.000 0.769 397 G HN 0.360 nan 8.290 nan 0.000 0.549 398 F N 0.408 120.367 119.950 0.016 0.000 2.604 398 F HA 0.123 4.649 4.527 -0.000 0.000 0.298 398 F C 2.352 177.752 175.800 -0.666 0.000 1.131 398 F CA 0.900 58.847 58.000 -0.088 0.000 1.457 398 F CB 0.166 39.301 39.000 0.226 0.000 1.095 398 F HN 0.257 nan 8.300 nan 0.000 0.574 399 E N 0.725 120.311 120.200 -1.024 0.000 2.031 399 E HA -0.240 4.109 4.350 -0.001 0.000 0.193 399 E C 2.448 178.608 176.600 -0.734 0.000 0.994 399 E CA 1.169 56.646 56.400 -1.537 0.000 0.800 399 E CB -0.146 29.011 29.700 -0.905 0.000 0.752 399 E HN 0.303 nan 8.360 nan 0.000 0.447 400 A N 0.684 123.234 122.820 -0.450 0.000 1.940 400 A HA -0.123 4.196 4.320 -0.001 0.000 0.219 400 A C 2.221 179.675 177.584 -0.218 0.000 1.176 400 A CA 1.657 53.523 52.037 -0.285 0.000 0.631 400 A CB -0.991 17.861 19.000 -0.245 0.000 0.814 400 A HN 0.410 nan 8.150 nan 0.000 0.446 401 G N -1.677 107.001 108.800 -0.204 0.000 3.279 401 G HA2 0.388 4.347 3.960 -0.001 0.000 0.230 401 G HA3 0.388 4.347 3.960 -0.001 0.000 0.230 401 G C 1.074 175.941 174.900 -0.056 0.000 1.230 401 G CA 0.456 45.496 45.100 -0.100 0.000 0.891 401 G HN 1.622 nan 8.290 nan 0.000 0.518 402 G N -1.241 107.485 108.800 -0.124 0.000 2.179 402 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.257 402 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.257 402 G C 0.596 175.593 174.900 0.163 0.000 1.010 402 G CA 0.203 45.301 45.100 -0.003 0.000 0.736 402 G HN 0.924 nan 8.290 nan 0.000 0.513 403 W N -3.667 117.720 121.300 0.144 0.000 3.160 403 W HA -0.242 4.418 4.660 -0.000 0.000 0.299 403 W C 0.996 177.599 176.519 0.141 0.000 1.141 403 W CA 0.189 57.632 57.345 0.163 0.000 0.612 403 W CB -2.052 27.469 29.460 0.101 0.000 2.186 403 W HN 0.523 nan 8.180 nan 0.000 1.364 404 V N 1.669 121.763 119.914 0.300 0.000 2.585 404 V HA -0.038 4.082 4.120 -0.001 0.000 0.296 404 V C 1.519 177.777 176.094 0.274 0.000 1.035 404 V CA 1.258 63.695 62.300 0.229 0.000 1.084 404 V CB 0.848 32.765 31.823 0.156 0.000 0.953 404 V HN 0.363 nan 8.190 nan 0.000 0.483 405 E N 1.452 121.752 120.200 0.166 0.000 3.170 405 E HA -0.249 4.100 4.350 -0.001 0.000 0.284 405 E C 0.445 176.927 176.600 -0.196 0.000 0.967 405 E CA 0.647 57.107 56.400 0.101 0.000 0.919 405 E CB -1.018 28.802 29.700 0.201 0.000 1.469 405 E HN 0.825 nan 8.360 nan 0.000 0.444 406 N N 1.116 119.685 118.700 -0.218 0.000 2.365 406 N HA -0.017 4.722 4.740 -0.001 0.000 0.265 406 N C -1.628 173.553 175.510 -0.548 0.000 1.288 406 N CA -1.184 51.528 53.050 -0.564 0.000 0.869 406 N CB 0.830 39.333 38.487 0.026 0.000 1.071 406 N HN -0.172 nan 8.380 nan 0.000 0.480 407 P HA -0.119 nan 4.420 nan 0.000 0.218 407 P C 0.848 177.907 177.300 -0.401 0.000 1.146 407 P CA 1.202 63.780 63.100 -0.870 0.000 0.813 407 P CB 0.178 30.993 31.700 -1.475 0.000 0.778 408 S N -1.041 114.452 115.700 -0.345 0.000 2.440 408 S HA -0.174 4.295 4.470 -0.001 0.000 0.238 408 S C 1.351 175.837 174.600 -0.190 0.000 1.010 408 S CA 1.597 59.642 58.200 -0.259 0.000 0.972 408 S CB -0.610 62.419 63.200 -0.285 0.000 0.774 408 S HN 0.224 nan 8.310 nan 0.000 0.501 409 D N 0.185 120.499 120.400 -0.143 0.000 2.563 409 D HA 0.209 4.848 4.640 -0.001 0.000 0.237 409 D C -0.938 175.345 176.300 -0.028 0.000 1.282 409 D CA -0.009 53.941 54.000 -0.084 0.000 0.816 409 D CB 0.656 41.414 40.800 -0.070 0.000 1.066 409 D HN -0.002 nan 8.370 nan 0.000 0.501 410 V N 2.021 121.942 119.914 0.012 0.000 2.347 410 V HA 0.271 4.390 4.120 -0.001 0.000 0.280 410 V C -1.383 174.764 176.094 0.090 0.000 1.021 410 V CA -1.439 60.912 62.300 0.086 0.000 0.847 410 V CB 1.845 33.792 31.823 0.208 0.000 0.990 410 V HN -0.048 nan 8.190 nan 0.000 0.444 411 P HA -0.199 nan 4.420 nan 0.000 0.216 411 P C 1.522 178.807 177.300 -0.024 0.000 1.150 411 P CA 1.711 64.808 63.100 -0.005 0.000 0.843 411 P CB 0.262 31.948 31.700 -0.023 0.000 0.787 412 A N -2.091 120.686 122.820 -0.072 0.000 2.070 412 A HA -0.145 4.175 4.320 -0.001 0.000 0.220 412 A C 1.548 178.986 177.584 -0.243 0.000 1.159 412 A CA 1.130 53.043 52.037 -0.207 0.000 0.656 412 A CB -1.618 17.180 19.000 -0.337 0.000 0.800 412 A HN 0.308 nan 8.150 nan 0.000 0.453 413 W N -1.165 120.076 121.300 -0.098 0.000 3.278 413 W HA 0.303 4.962 4.660 -0.002 0.000 0.308 413 W C 2.047 178.504 176.519 -0.103 0.000 1.253 413 W CA -0.079 57.207 57.345 -0.098 0.000 1.759 413 W CB 0.176 29.571 29.460 -0.109 0.000 1.093 413 W HN 0.262 nan 8.180 nan 0.000 0.648 414 R N 0.997 121.548 120.500 0.085 0.000 2.073 414 R HA -0.167 4.173 4.340 -0.001 0.000 0.234 414 R C 1.383 177.666 176.300 -0.027 0.000 1.134 414 R CA 2.250 58.354 56.100 0.007 0.000 0.952 414 R CB -0.293 29.993 30.300 -0.024 0.000 0.850 414 R HN 0.015 nan 8.270 nan 0.000 0.433 415 D N 0.271 120.650 120.400 -0.035 0.000 2.144 415 D HA -0.117 4.522 4.640 -0.001 0.000 0.199 415 D C 1.731 177.992 176.300 -0.066 0.000 0.984 415 D CA 1.460 55.422 54.000 -0.065 0.000 0.834 415 D CB -0.283 40.477 40.800 -0.066 0.000 0.955 415 D HN 0.398 nan 8.370 nan 0.000 0.465 416 A N 0.383 123.198 122.820 -0.010 0.000 1.902 416 A HA -0.152 4.168 4.320 -0.001 0.000 0.217 416 A C 2.144 179.718 177.584 -0.016 0.000 1.181 416 A CA 1.052 53.102 52.037 0.022 0.000 0.623 416 A CB -0.622 18.471 19.000 0.154 0.000 0.818 416 A HN 0.155 nan 8.150 nan 0.000 0.443 417 L N -0.648 120.563 121.223 -0.019 0.000 2.072 417 L HA -0.082 4.258 4.340 -0.001 0.000 0.205 417 L C 2.558 179.331 176.870 -0.162 0.000 1.079 417 L CA 1.295 56.085 54.840 -0.083 0.000 0.752 417 L CB -0.524 41.477 42.059 -0.095 0.000 0.906 417 L HN 0.205 nan 8.230 nan 0.000 0.436 418 V N -0.519 119.285 119.914 -0.183 0.000 2.358 418 V HA -0.302 3.818 4.120 -0.001 0.000 0.246 418 V C 2.208 178.051 176.094 -0.420 0.000 1.047 418 V CA 1.858 63.983 62.300 -0.292 0.000 1.035 418 V CB -0.631 31.043 31.823 -0.248 0.000 0.658 418 V HN 0.493 nan 8.190 nan 0.000 0.452 419 D N 0.005 120.220 120.400 -0.309 0.000 2.123 419 D HA -0.219 4.421 4.640 -0.001 0.000 0.196 419 D C 2.340 178.466 176.300 -0.291 0.000 0.992 419 D CA 1.497 55.313 54.000 -0.306 0.000 0.833 419 D CB -0.071 40.614 40.800 -0.192 0.000 0.954 419 D HN 0.323 nan 8.370 nan 0.000 0.455 420 R N -0.831 119.543 120.500 -0.211 0.000 2.083 420 R HA -0.143 4.196 4.340 -0.001 0.000 0.237 420 R C 2.269 178.424 176.300 -0.242 0.000 1.137 420 R CA 1.541 57.538 56.100 -0.173 0.000 0.951 420 R CB -0.355 29.887 30.300 -0.097 0.000 0.851 420 R HN 0.296 nan 8.270 nan 0.000 0.434 421 M N 1.093 120.508 119.600 -0.309 0.000 2.117 421 M HA -0.172 4.308 4.480 -0.001 0.000 0.262 421 M C 2.056 178.028 176.300 -0.547 0.000 1.065 421 M CA 1.731 56.819 55.300 -0.353 0.000 1.114 421 M CB -0.158 32.261 32.600 -0.301 0.000 1.361 421 M HN 0.100 nan 8.290 nan 0.000 0.408 422 E N -0.448 119.237 120.200 -0.858 0.000 2.051 422 E HA -0.254 4.096 4.350 -0.001 0.000 0.192 422 E C 2.094 178.389 176.600 -0.508 0.000 0.991 422 E CA 1.443 57.172 56.400 -1.117 0.000 0.799 422 E CB -0.098 28.881 29.700 -1.203 0.000 0.748 422 E HN 0.520 nan 8.360 nan 0.000 0.449 423 R N -0.193 120.082 120.500 -0.374 0.000 2.096 423 R HA -0.075 4.265 4.340 -0.001 0.000 0.235 423 R C 2.476 178.653 176.300 -0.205 0.000 1.127 423 R CA 1.863 57.822 56.100 -0.236 0.000 0.968 423 R CB -0.298 29.892 30.300 -0.183 0.000 0.861 423 R HN 0.207 nan 8.270 nan 0.000 0.440 424 T N 0.277 114.692 114.554 -0.232 0.000 2.674 424 T HA -0.101 4.249 4.350 -0.001 0.000 0.265 424 T C 1.933 176.430 174.700 -0.338 0.000 1.039 424 T CA 1.412 63.392 62.100 -0.200 0.000 1.150 424 T CB -0.147 68.620 68.868 -0.168 0.000 0.864 424 T HN -0.012 nan 8.240 nan 0.000 0.427 425 V N 1.583 121.153 119.914 -0.573 0.000 2.307 425 V HA -0.100 4.020 4.120 -0.001 0.000 0.245 425 V C 2.710 178.561 176.094 -0.405 0.000 1.045 425 V CA 1.462 63.214 62.300 -0.914 0.000 1.024 425 V CB -0.490 30.892 31.823 -0.736 0.000 0.651 425 V HN 0.380 nan 8.190 nan 0.000 0.449 426 E N 0.092 120.148 120.200 -0.240 0.000 2.077 426 E HA -0.220 4.130 4.350 -0.001 0.000 0.193 426 E C 2.310 178.838 176.600 -0.121 0.000 0.989 426 E CA 1.116 57.416 56.400 -0.167 0.000 0.800 426 E CB -0.374 29.264 29.700 -0.104 0.000 0.746 426 E HN 0.473 nan 8.360 nan 0.000 0.452 427 R N 0.598 121.048 120.500 -0.083 0.000 2.091 427 R HA -0.148 4.192 4.340 -0.001 0.000 0.238 427 R C 0.584 176.933 176.300 0.081 0.000 1.136 427 R CA 1.664 57.765 56.100 0.000 0.000 0.959 427 R CB 0.160 30.451 30.300 -0.015 0.000 0.856 427 R HN 0.012 nan 8.270 nan 0.000 0.437 428 D N -0.725 119.757 120.400 0.136 0.000 2.431 428 D HA -0.008 4.631 4.640 -0.001 0.000 0.213 428 D C 1.005 177.510 176.300 0.342 0.000 1.130 428 D CA 0.148 54.353 54.000 0.341 0.000 0.834 428 D CB 0.498 41.546 40.800 0.413 0.000 0.985 428 D HN 0.396 nan 8.370 nan 0.000 0.504 429 K N 0.420 120.898 120.400 0.131 0.000 2.281 429 K HA -0.078 4.242 4.320 -0.001 0.000 0.203 429 K C 1.168 177.766 176.600 -0.003 0.000 1.046 429 K CA 0.875 57.160 56.287 -0.003 0.000 0.938 429 K CB -0.006 32.042 32.500 -0.754 0.000 0.737 429 K HN -0.082 nan 8.250 nan 0.000 0.458 430 N N 0.728 119.389 118.700 -0.064 0.000 2.515 430 N HA -0.039 4.701 4.740 -0.001 0.000 0.185 430 N C -0.321 175.130 175.510 -0.098 0.000 1.109 430 N CA 0.366 53.417 53.050 0.001 0.000 0.903 430 N CB 0.044 38.485 38.487 -0.077 0.000 0.969 430 N HN 0.340 nan 8.380 nan 0.000 0.450 431 H N 1.315 120.419 119.070 0.057 0.000 2.742 431 H HA 0.094 4.650 4.556 -0.001 0.000 0.302 431 H C -1.229 173.996 175.328 -0.172 0.000 1.069 431 H CA -1.303 54.717 56.048 -0.047 0.000 1.446 431 H CB 1.401 31.147 29.762 -0.027 0.000 1.462 431 H HN 0.106 nan 8.280 nan 0.000 0.499 432 P HA -0.136 nan 4.420 nan 0.000 0.223 432 P C 1.399 178.281 177.300 -0.696 0.000 1.151 432 P CA 0.906 63.701 63.100 -0.508 0.000 0.787 432 P CB 0.291 31.457 31.700 -0.891 0.000 0.788 433 S N -0.176 115.121 115.700 -0.672 0.000 2.419 433 S HA -0.083 4.387 4.470 -0.001 0.000 0.233 433 S C 1.152 175.763 174.600 0.019 0.000 1.016 433 S CA 0.428 58.430 58.200 -0.329 0.000 0.974 433 S CB -1.315 61.868 63.200 -0.029 0.000 0.786 433 S HN 0.091 nan 8.310 nan 0.000 0.492 434 I N 2.953 123.484 120.570 -0.065 0.000 2.379 434 I HA 0.131 4.300 4.170 -0.001 0.000 0.290 434 I C 0.953 177.008 176.117 -0.103 0.000 1.063 434 I CA -0.433 60.794 61.300 -0.121 0.000 1.351 434 I CB 1.507 39.313 38.000 -0.324 0.000 1.410 434 I HN 0.185 nan 8.210 nan 0.000 0.505 435 V N 3.527 123.459 119.914 0.029 0.000 3.556 435 V HA 0.422 4.541 4.120 -0.001 0.000 0.287 435 V C 0.430 176.585 176.094 0.103 0.000 1.422 435 V CA 0.019 62.407 62.300 0.146 0.000 1.038 435 V CB -0.056 32.011 31.823 0.406 0.000 0.850 435 V HN 0.630 nan 8.190 nan 0.000 0.437 436 M N -0.376 119.172 119.600 -0.086 0.000 2.484 436 M HA 0.482 4.962 4.480 -0.001 0.000 0.289 436 M C -1.947 174.221 176.300 -0.220 0.000 1.206 436 M CA -0.258 54.987 55.300 -0.092 0.000 0.892 436 M CB 2.957 35.537 32.600 -0.034 0.000 1.712 436 M HN 0.180 nan 8.290 nan 0.000 0.462 437 W N 0.766 122.129 121.300 0.105 0.000 2.417 437 W HA 0.587 5.247 4.660 -0.001 0.000 0.317 437 W C 0.291 176.863 176.519 0.088 0.000 1.121 437 W CA -0.473 56.918 57.345 0.076 0.000 1.208 437 W CB 1.459 30.968 29.460 0.081 0.000 1.253 437 W HN 0.476 nan 8.180 nan 0.000 0.533 438 S N 2.835 118.741 115.700 0.343 0.000 2.503 438 S HA 0.392 4.862 4.470 -0.001 0.000 0.301 438 S C 0.562 175.300 174.600 0.229 0.000 1.087 438 S CA -0.714 57.674 58.200 0.313 0.000 1.042 438 S CB 0.911 64.284 63.200 0.288 0.000 1.043 438 S HN 0.580 nan 8.310 nan 0.000 0.489 439 L N 3.613 124.943 121.223 0.178 0.000 2.376 439 L HA 0.317 4.657 4.340 -0.001 0.000 0.219 439 L C 1.451 178.293 176.870 -0.047 0.000 1.133 439 L CA 0.652 55.481 54.840 -0.019 0.000 0.816 439 L CB -0.881 41.029 42.059 -0.247 0.000 0.933 439 L HN 0.937 nan 8.230 nan 0.000 0.449 440 G N -0.396 108.463 108.800 0.097 0.000 2.302 440 G HA2 -0.034 3.925 3.960 -0.001 0.000 0.264 440 G HA3 -0.034 3.925 3.960 -0.001 0.000 0.264 440 G C -1.919 173.102 174.900 0.201 0.000 1.335 440 G CA -0.598 44.558 45.100 0.094 0.000 0.982 440 G HN 0.090 nan 8.290 nan 0.000 0.473 441 N N 0.107 118.862 118.700 0.093 0.000 2.287 441 N HA 0.481 5.220 4.740 -0.001 0.000 0.289 441 N C -0.257 175.194 175.510 -0.099 0.000 1.066 441 N CA 0.029 53.025 53.050 -0.090 0.000 0.841 441 N CB 1.650 39.769 38.487 -0.613 0.000 1.599 441 N HN 0.820 nan 8.380 nan 0.000 0.476 442 E N 0.798 120.890 120.200 -0.180 0.000 2.228 442 E HA -0.179 4.170 4.350 -0.001 0.000 0.213 442 E C -0.737 175.883 176.600 0.035 0.000 1.282 442 E CA 0.703 56.959 56.400 -0.241 0.000 0.707 442 E CB -1.384 27.916 29.700 -0.666 0.000 1.150 442 E HN 0.443 nan 8.360 nan 0.000 0.362 443 S N -0.275 115.478 115.700 0.088 0.000 2.664 443 S HA 0.386 4.855 4.470 -0.001 0.000 0.245 443 S C 0.813 175.165 174.600 -0.415 0.000 1.019 443 S CA -0.026 58.197 58.200 0.038 0.000 0.996 443 S CB 1.254 64.448 63.200 -0.011 0.000 0.878 443 S HN 0.805 nan 8.310 nan 0.000 0.493 444 G N 1.755 110.037 108.800 -0.864 0.000 2.564 444 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.273 444 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.273 444 G C -0.026 174.524 174.900 -0.584 0.000 1.242 444 G CA 0.338 44.580 45.100 -1.429 0.000 0.951 444 G HN 0.593 nan 8.290 nan 0.000 0.564 445 T N -1.358 112.876 114.554 -0.533 0.000 2.838 445 T HA 0.862 5.212 4.350 -0.001 0.000 0.292 445 T C 0.069 174.657 174.700 -0.188 0.000 1.113 445 T CA 1.000 62.995 62.100 -0.176 0.000 1.008 445 T CB 1.385 70.234 68.868 -0.031 0.000 1.259 445 T HN 2.670 nan 8.240 nan 0.000 0.520 446 G N 0.233 108.958 108.800 -0.125 0.000 2.340 446 G HA2 0.350 4.310 3.960 -0.001 0.000 0.300 446 G HA3 0.350 4.310 3.960 -0.001 0.000 0.300 446 G C 0.530 175.306 174.900 -0.207 0.000 1.488 446 G CA 0.499 45.508 45.100 -0.151 0.000 0.878 446 G HN 0.750 nan 8.290 nan 0.000 0.618 447 S N -0.456 115.153 115.700 -0.151 0.000 2.383 447 S HA -0.151 4.318 4.470 -0.001 0.000 0.229 447 S C 2.161 176.636 174.600 -0.209 0.000 1.030 447 S CA 2.270 60.376 58.200 -0.158 0.000 1.002 447 S CB -0.321 62.825 63.200 -0.090 0.000 0.829 447 S HN 0.535 nan 8.310 nan 0.000 0.467 448 N N 1.387 119.971 118.700 -0.194 0.000 2.188 448 N HA 0.016 4.756 4.740 -0.001 0.000 0.184 448 N C 1.717 177.056 175.510 -0.285 0.000 1.018 448 N CA 0.962 53.897 53.050 -0.191 0.000 0.858 448 N CB -0.616 37.786 38.487 -0.143 0.000 0.989 448 N HN 0.396 nan 8.380 nan 0.000 0.426 449 L N 0.665 121.648 121.223 -0.400 0.000 2.056 449 L HA -0.078 4.262 4.340 -0.001 0.000 0.207 449 L C 2.356 178.776 176.870 -0.749 0.000 1.078 449 L CA 1.112 55.613 54.840 -0.566 0.000 0.749 449 L CB -0.439 41.235 42.059 -0.642 0.000 0.901 449 L HN 0.112 nan 8.230 nan 0.000 0.433 450 A N -0.208 122.055 122.820 -0.929 0.000 1.972 450 A HA -0.162 4.157 4.320 -0.001 0.000 0.219 450 A C 2.488 179.883 177.584 -0.316 0.000 1.169 450 A CA 1.634 53.194 52.037 -0.795 0.000 0.635 450 A CB -0.638 18.045 19.000 -0.528 0.000 0.810 450 A HN 0.416 nan 8.150 nan 0.000 0.446 451 A N -0.368 122.308 122.820 -0.241 0.000 1.898 451 A HA -0.096 4.224 4.320 -0.001 0.000 0.216 451 A C 2.220 179.763 177.584 -0.070 0.000 1.181 451 A CA 1.743 53.714 52.037 -0.111 0.000 0.620 451 A CB -0.541 18.400 19.000 -0.097 0.000 0.819 451 A HN 0.539 nan 8.150 nan 0.000 0.442 452 M N -0.312 119.202 119.600 -0.144 0.000 2.080 452 M HA -0.155 4.324 4.480 -0.001 0.000 0.260 452 M C 2.518 178.791 176.300 -0.045 0.000 1.068 452 M CA 1.608 56.846 55.300 -0.104 0.000 1.109 452 M CB -0.474 32.017 32.600 -0.182 0.000 1.342 452 M HN 0.445 nan 8.290 nan 0.000 0.405 453 A N 0.423 123.175 122.820 -0.114 0.000 1.902 453 A HA -0.041 4.279 4.320 -0.001 0.000 0.217 453 A C 2.407 179.904 177.584 -0.145 0.000 1.181 453 A CA 1.923 53.879 52.037 -0.136 0.000 0.623 453 A CB -0.986 18.000 19.000 -0.023 0.000 0.818 453 A HN 0.501 nan 8.150 nan 0.000 0.443 454 A N -1.661 121.159 122.820 -0.000 0.000 1.902 454 A HA -0.164 4.156 4.320 -0.001 0.000 0.217 454 A C 1.999 179.630 177.584 0.078 0.000 1.181 454 A CA 1.509 53.598 52.037 0.087 0.000 0.623 454 A CB -0.876 18.168 19.000 0.075 0.000 0.818 454 A HN 0.839 nan 8.150 nan 0.000 0.443 455 W N 0.520 121.778 121.300 -0.071 0.000 2.355 455 W HA -0.104 4.556 4.660 -0.000 0.000 0.309 455 W C 2.492 178.964 176.519 -0.078 0.000 1.206 455 W CA 2.275 59.576 57.345 -0.073 0.000 1.284 455 W CB -0.149 29.247 29.460 -0.107 0.000 1.145 455 W HN 0.349 nan 8.180 nan 0.000 0.502 456 A N -0.631 122.266 122.820 0.129 0.000 1.908 456 A HA -0.259 4.061 4.320 -0.001 0.000 0.218 456 A C 1.627 179.171 177.584 -0.068 0.000 1.181 456 A CA 2.088 54.104 52.037 -0.036 0.000 0.627 456 A CB -1.372 17.619 19.000 -0.015 0.000 0.818 456 A HN 0.616 nan 8.150 nan 0.000 0.445 457 H N -0.914 118.159 119.070 0.005 0.000 2.353 457 H HA 0.015 4.571 4.556 -0.001 0.000 0.300 457 H C 2.485 177.768 175.328 -0.075 0.000 1.090 457 H CA 0.896 56.951 56.048 0.012 0.000 1.327 457 H CB 0.026 29.810 29.762 0.037 0.000 1.383 457 H HN 0.564 nan 8.280 nan 0.000 0.508 458 A N 0.756 123.540 122.820 -0.060 0.000 1.930 458 A HA -0.167 4.153 4.320 -0.001 0.000 0.217 458 A C 2.216 179.641 177.584 -0.266 0.000 1.175 458 A CA 1.605 53.540 52.037 -0.171 0.000 0.627 458 A CB -0.250 18.607 19.000 -0.239 0.000 0.815 458 A HN 0.206 nan 8.150 nan 0.000 0.443 459 R N -0.140 120.064 120.500 -0.494 0.000 2.066 459 R HA -0.002 4.337 4.340 -0.001 0.000 0.224 459 R C -0.513 175.764 176.300 -0.039 0.000 1.122 459 R CA 1.544 57.356 56.100 -0.480 0.000 0.974 459 R CB 0.008 29.643 30.300 -1.108 0.000 0.871 459 R HN 0.339 nan 8.270 nan 0.000 0.435 460 D N -0.633 119.799 120.400 0.053 0.000 2.375 460 D HA 0.095 4.734 4.640 -0.001 0.000 0.259 460 D C -0.334 176.154 176.300 0.313 0.000 1.235 460 D CA -0.056 54.159 54.000 0.358 0.000 0.924 460 D CB 1.235 42.324 40.800 0.481 0.000 1.143 460 D HN 0.184 nan 8.370 nan 0.000 0.529 461 S N 1.021 116.854 115.700 0.222 0.000 2.607 461 S HA -0.095 4.375 4.470 -0.001 0.000 0.224 461 S C 1.623 176.319 174.600 0.161 0.000 0.969 461 S CA 0.594 58.894 58.200 0.166 0.000 0.927 461 S CB -0.201 63.046 63.200 0.078 0.000 0.772 461 S HN 0.292 nan 8.310 nan 0.000 0.533 462 S N 0.748 116.577 115.700 0.214 0.000 2.527 462 S HA 0.239 4.709 4.470 -0.001 0.000 0.222 462 S C 0.578 175.263 174.600 0.141 0.000 0.985 462 S CA -0.576 57.723 58.200 0.165 0.000 0.921 462 S CB -0.131 63.184 63.200 0.192 0.000 0.772 462 S HN 0.545 nan 8.310 nan 0.000 0.529 463 R N 1.374 121.986 120.500 0.186 0.000 2.538 463 R HA 0.522 4.861 4.340 -0.001 0.000 0.292 463 R C -3.214 173.207 176.300 0.202 0.000 1.008 463 R CA -2.115 54.046 56.100 0.102 0.000 0.896 463 R CB 1.651 31.868 30.300 -0.139 0.000 1.187 463 R HN 0.163 nan 8.270 nan 0.000 0.440 464 P HA 0.016 nan 4.420 nan 0.000 0.269 464 P C -0.681 176.798 177.300 0.298 0.000 1.215 464 P CA -0.335 62.922 63.100 0.263 0.000 0.780 464 P CB 0.642 32.511 31.700 0.282 0.000 0.898 465 V N 3.370 123.476 119.914 0.319 0.000 2.394 465 V HA 0.208 4.328 4.120 -0.001 0.000 0.282 465 V C 0.228 176.476 176.094 0.256 0.000 1.031 465 V CA -0.295 62.166 62.300 0.268 0.000 0.881 465 V CB 0.580 32.469 31.823 0.110 0.000 0.982 465 V HN 0.618 nan 8.190 nan 0.000 0.451 466 H N 5.271 124.425 119.070 0.139 0.000 2.469 466 H HA 0.513 5.068 4.556 -0.001 0.000 0.342 466 H C -2.128 173.294 175.328 0.157 0.000 1.115 466 H CA -0.604 55.487 56.048 0.071 0.000 1.204 466 H CB 1.710 31.448 29.762 -0.040 0.000 1.492 466 H HN 0.646 nan 8.280 nan 0.000 0.499 467 Y N 5.214 125.166 120.300 -0.580 0.000 2.275 467 Y HA 0.075 4.625 4.550 -0.001 0.000 0.319 467 Y C 0.411 176.012 175.900 -0.499 0.000 1.204 467 Y CA -0.819 57.010 58.100 -0.451 0.000 1.136 467 Y CB 0.910 39.305 38.460 -0.108 0.000 1.228 467 Y HN 0.735 nan 8.280 nan 0.000 0.413 468 E N 3.184 122.724 120.200 -1.100 0.000 2.268 468 E HA -0.051 4.299 4.350 -0.001 0.000 0.195 468 E C 1.507 177.523 176.600 -0.973 0.000 0.995 468 E CA 1.269 57.181 56.400 -0.812 0.000 0.836 468 E CB 0.095 29.493 29.700 -0.502 0.000 0.763 468 E HN 1.013 nan 8.360 nan 0.000 0.491 469 G N 0.714 108.462 108.800 -1.754 0.000 2.598 469 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.215 469 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.215 469 G C 0.746 175.085 174.900 -0.935 0.000 1.131 469 G CA 0.330 44.624 45.100 -1.344 0.000 0.785 469 G HN 0.163 nan 8.290 nan 0.000 0.539 470 D N -0.314 119.662 120.400 -0.707 0.000 2.688 470 D HA 0.123 4.762 4.640 -0.001 0.000 0.228 470 D C 1.016 177.161 176.300 -0.257 0.000 1.116 470 D CA -0.696 53.044 54.000 -0.434 0.000 1.023 470 D CB -0.564 39.845 40.800 -0.651 0.000 1.100 470 D HN 0.452 nan 8.370 nan 0.000 0.487 471 Y N -0.029 120.192 120.300 -0.132 0.000 2.207 471 Y HA -0.228 4.322 4.550 -0.001 0.000 0.287 471 Y C 2.626 178.488 175.900 -0.064 0.000 1.156 471 Y CA 1.232 59.312 58.100 -0.033 0.000 1.182 471 Y CB 0.041 38.492 38.460 -0.014 0.000 0.979 471 Y HN 0.325 nan 8.280 nan 0.000 0.521 472 T N -3.284 111.305 114.554 0.058 0.000 3.129 472 T HA 0.254 4.604 4.350 -0.001 0.000 0.251 472 T C 1.462 176.104 174.700 -0.097 0.000 1.117 472 T CA 0.420 62.507 62.100 -0.022 0.000 1.034 472 T CB -0.102 68.767 68.868 0.001 0.000 0.968 472 T HN 0.487 nan 8.240 nan 0.000 0.526 473 G N 0.883 109.594 108.800 -0.148 0.000 2.272 473 G HA2 -0.089 3.871 3.960 -0.001 0.000 0.280 473 G HA3 -0.089 3.871 3.960 -0.001 0.000 0.280 473 G C 0.795 175.606 174.900 -0.148 0.000 1.067 473 G CA -0.017 44.983 45.100 -0.166 0.000 0.902 473 G HN 1.045 nan 8.290 nan 0.000 0.500 474 A N -0.690 122.003 122.820 -0.212 0.000 2.123 474 A HA 0.481 4.801 4.320 -0.001 0.000 0.214 474 A C 1.338 178.972 177.584 0.083 0.000 1.152 474 A CA 1.975 53.991 52.037 -0.036 0.000 0.728 474 A CB -0.149 18.904 19.000 0.088 0.000 0.814 474 A HN 1.846 nan 8.150 nan 0.000 0.464 475 Y N -2.660 117.679 120.300 0.064 0.000 3.024 475 Y HA 0.310 4.859 4.550 -0.001 0.000 0.283 475 Y C 0.134 176.116 175.900 0.136 0.000 1.040 475 Y CA -0.436 57.721 58.100 0.094 0.000 1.283 475 Y CB -0.838 37.655 38.460 0.056 0.000 1.367 475 Y HN 0.074 nan 8.280 nan 0.000 0.589 476 T N -2.688 111.880 114.554 0.024 0.000 2.932 476 T HA 0.381 4.731 4.350 -0.001 0.000 0.289 476 T C -0.065 174.715 174.700 0.133 0.000 1.039 476 T CA -0.469 61.688 62.100 0.095 0.000 1.024 476 T CB 2.434 71.286 68.868 -0.027 0.000 1.090 476 T HN 0.074 nan 8.240 nan 0.000 0.496 477 D N 0.192 120.705 120.400 0.190 0.000 2.327 477 D HA 0.125 4.764 4.640 -0.001 0.000 0.205 477 D C 1.070 177.467 176.300 0.161 0.000 0.989 477 D CA 0.663 54.772 54.000 0.181 0.000 0.873 477 D CB 0.533 41.474 40.800 0.234 0.000 0.955 477 D HN 0.581 nan 8.370 nan 0.000 0.515 478 V N -1.537 118.472 119.914 0.158 0.000 2.864 478 V HA 0.473 4.593 4.120 -0.001 0.000 0.314 478 V C -0.950 175.237 176.094 0.154 0.000 1.073 478 V CA -1.111 61.281 62.300 0.153 0.000 0.956 478 V CB 2.134 34.029 31.823 0.120 0.000 1.023 478 V HN -0.089 nan 8.190 nan 0.000 0.435 479 Y N 2.557 122.875 120.300 0.031 0.000 2.367 479 Y HA 0.728 5.278 4.550 -0.001 0.000 0.342 479 Y C 0.191 176.044 175.900 -0.078 0.000 0.979 479 Y CA -0.594 57.527 58.100 0.035 0.000 1.161 479 Y CB 1.058 39.627 38.460 0.182 0.000 1.155 479 Y HN 0.969 nan 8.280 nan 0.000 0.503 480 S N 7.290 122.819 115.700 -0.285 0.000 2.482 480 S HA 0.797 5.266 4.470 -0.001 0.000 0.303 480 S C -0.931 173.361 174.600 -0.513 0.000 1.091 480 S CA -0.708 57.195 58.200 -0.495 0.000 1.057 480 S CB 0.622 63.590 63.200 -0.387 0.000 1.031 480 S HN 0.741 nan 8.310 nan 0.000 0.485 481 R N 2.285 122.481 120.500 -0.507 0.000 2.836 481 R HA 0.541 4.881 4.340 -0.001 0.000 0.269 481 R C -0.931 175.256 176.300 -0.188 0.000 1.010 481 R CA -0.796 55.168 56.100 -0.226 0.000 0.930 481 R CB 1.767 32.045 30.300 -0.036 0.000 1.218 481 R HN 0.865 nan 8.270 nan 0.000 0.473 482 M N -0.034 119.501 119.600 -0.108 0.000 2.253 482 M HA 0.430 4.910 4.480 -0.001 0.000 0.314 482 M C -0.924 175.332 176.300 -0.073 0.000 1.019 482 M CA -0.483 54.647 55.300 -0.283 0.000 0.932 482 M CB 1.774 34.156 32.600 -0.363 0.000 1.606 482 M HN 0.615 nan 8.290 nan 0.000 0.430 483 Y N -0.303 120.110 120.300 0.187 0.000 4.177 483 Y HA -0.244 4.305 4.550 -0.001 0.000 0.227 483 Y C 0.352 176.456 175.900 0.340 0.000 1.154 483 Y CA 0.591 58.829 58.100 0.230 0.000 1.887 483 Y CB -2.511 36.064 38.460 0.192 0.000 1.594 483 Y HN 0.933 nan 8.280 nan 0.000 0.668 484 S N 0.274 116.213 115.700 0.399 0.000 2.562 484 S HA 0.426 4.895 4.470 -0.001 0.000 0.281 484 S C 0.697 175.569 174.600 0.453 0.000 1.333 484 S CA -0.412 58.029 58.200 0.402 0.000 1.052 484 S CB 1.619 64.994 63.200 0.292 0.000 0.884 484 S HN 0.636 nan 8.310 nan 0.000 0.506 485 S N 3.546 119.488 115.700 0.403 0.000 2.608 485 S HA 0.252 4.722 4.470 -0.001 0.000 0.261 485 S C 1.426 176.043 174.600 0.028 0.000 1.314 485 S CA -0.936 57.443 58.200 0.297 0.000 0.992 485 S CB -0.017 63.433 63.200 0.417 0.000 0.935 485 S HN 0.618 nan 8.310 nan 0.000 0.564 486 I N 1.337 121.766 120.570 -0.235 0.000 2.163 486 I HA -0.057 4.112 4.170 -0.001 0.000 0.243 486 I C -0.637 175.201 176.117 -0.464 0.000 1.085 486 I CA 1.031 62.022 61.300 -0.515 0.000 1.347 486 I CB -3.022 34.465 38.000 -0.855 0.000 1.044 486 I HN 0.515 nan 8.210 nan 0.000 0.408 487 P HA -0.175 nan 4.420 nan 0.000 0.215 487 P C 1.693 178.925 177.300 -0.112 0.000 1.153 487 P CA 1.422 64.188 63.100 -0.556 0.000 0.853 487 P CB 0.010 31.413 31.700 -0.496 0.000 0.788 488 E N -1.099 119.079 120.200 -0.038 0.000 2.107 488 E HA -0.114 4.236 4.350 -0.001 0.000 0.191 488 E C 1.452 178.024 176.600 -0.047 0.000 0.982 488 E CA 1.326 57.734 56.400 0.012 0.000 0.809 488 E CB -0.307 29.436 29.700 0.072 0.000 0.756 488 E HN 0.118 nan 8.360 nan 0.000 0.459 489 T N 0.412 114.927 114.554 -0.065 0.000 2.821 489 T HA -0.158 4.191 4.350 -0.001 0.000 0.267 489 T C 1.366 175.954 174.700 -0.188 0.000 1.046 489 T CA 1.407 63.407 62.100 -0.167 0.000 1.139 489 T CB -0.350 68.515 68.868 -0.004 0.000 0.871 489 T HN 0.320 nan 8.240 nan 0.000 0.454 490 D N 0.788 121.143 120.400 -0.075 0.000 2.123 490 D HA -0.111 4.528 4.640 -0.001 0.000 0.196 490 D C 2.272 178.470 176.300 -0.171 0.000 0.992 490 D CA 1.337 55.333 54.000 -0.006 0.000 0.833 490 D CB -0.237 40.723 40.800 0.267 0.000 0.954 490 D HN 0.232 nan 8.370 nan 0.000 0.455 491 S N -1.113 114.544 115.700 -0.072 0.000 2.382 491 S HA -0.098 4.371 4.470 -0.001 0.000 0.228 491 S C 1.998 176.495 174.600 -0.172 0.000 1.027 491 S CA 0.874 59.026 58.200 -0.079 0.000 0.991 491 S CB -0.380 62.819 63.200 -0.003 0.000 0.823 491 S HN 0.348 nan 8.310 nan 0.000 0.469 492 I N 0.883 121.323 120.570 -0.217 0.000 2.252 492 I HA -0.045 4.125 4.170 -0.001 0.000 0.245 492 I C 2.617 178.557 176.117 -0.295 0.000 1.102 492 I CA 1.193 62.352 61.300 -0.235 0.000 1.385 492 I CB -0.590 37.174 38.000 -0.394 0.000 1.064 492 I HN 0.426 nan 8.210 nan 0.000 0.414 493 G N 1.442 109.966 108.800 -0.460 0.000 2.430 493 G HA2 -0.088 3.872 3.960 -0.001 0.000 0.216 493 G HA3 -0.088 3.872 3.960 -0.001 0.000 0.216 493 G C 0.910 175.385 174.900 -0.709 0.000 1.146 493 G CA -0.220 44.553 45.100 -0.544 0.000 0.793 493 G HN 0.339 nan 8.290 nan 0.000 0.537 494 R N 0.169 120.144 120.500 -0.874 0.000 2.615 494 R HA 0.294 4.633 4.340 -0.001 0.000 0.270 494 R C -0.117 176.063 176.300 -0.200 0.000 1.081 494 R CA -0.397 55.393 56.100 -0.515 0.000 1.154 494 R CB 0.477 30.584 30.300 -0.321 0.000 1.063 494 R HN -0.120 nan 8.270 nan 0.000 0.519 495 N N 0.464 119.125 118.700 -0.065 0.000 2.236 495 N HA -0.043 4.697 4.740 -0.001 0.000 0.196 495 N C -0.625 174.867 175.510 -0.031 0.000 1.114 495 N CA 0.350 53.375 53.050 -0.042 0.000 0.859 495 N CB 0.365 38.858 38.487 0.010 0.000 0.982 495 N HN 0.658 nan 8.380 nan 0.000 0.493 496 D N -1.079 119.311 120.400 -0.016 0.000 2.643 496 D HA 0.108 4.747 4.640 -0.001 0.000 0.244 496 D C -0.364 175.948 176.300 0.022 0.000 1.257 496 D CA -0.268 53.744 54.000 0.020 0.000 0.831 496 D CB -0.021 40.803 40.800 0.039 0.000 1.043 496 D HN -0.229 nan 8.370 nan 0.000 0.488 497 S N -0.604 115.069 115.700 -0.045 0.000 2.594 497 S HA 0.361 4.831 4.470 -0.001 0.000 0.296 497 S C -0.783 173.740 174.600 -0.129 0.000 1.124 497 S CA -0.565 57.618 58.200 -0.028 0.000 1.011 497 S CB 0.919 64.097 63.200 -0.036 0.000 1.016 497 S HN 0.186 nan 8.310 nan 0.000 0.485 498 H N 2.236 121.305 119.070 -0.002 0.000 2.592 498 H HA 0.505 5.060 4.556 -0.001 0.000 0.279 498 H C 0.951 176.278 175.328 -0.001 0.000 1.089 498 H CA 0.362 56.407 56.048 -0.005 0.000 1.150 498 H CB 0.643 30.403 29.762 -0.003 0.000 1.575 498 H HN 0.718 nan 8.280 nan 0.000 0.547 499 A N 1.101 123.965 122.820 0.072 0.000 2.555 499 A HA 0.114 4.433 4.320 -0.001 0.000 0.233 499 A C 0.215 177.819 177.584 0.032 0.000 1.060 499 A CA -0.152 51.917 52.037 0.054 0.000 0.759 499 A CB 0.032 19.064 19.000 0.052 0.000 0.995 499 A HN 0.400 nan 8.150 nan 0.000 0.506 500 L N 1.939 123.180 121.223 0.031 0.000 2.397 500 L HA 0.276 4.615 4.340 -0.001 0.000 0.271 500 L C 0.153 177.029 176.870 0.010 0.000 1.148 500 L CA -0.082 54.767 54.840 0.016 0.000 0.825 500 L CB 0.296 42.363 42.059 0.013 0.000 1.117 500 L HN 0.596 nan 8.230 nan 0.000 0.456 501 L N 2.263 123.487 121.223 0.001 0.000 2.365 501 L HA 0.381 4.720 4.340 -0.001 0.000 0.267 501 L C -0.090 176.772 176.870 -0.014 0.000 1.033 501 L CA -1.137 53.715 54.840 0.020 0.000 0.802 501 L CB 1.450 43.538 42.059 0.048 0.000 1.267 501 L HN 0.357 nan 8.230 nan 0.000 0.457 502 L N 1.814 123.017 121.223 -0.034 0.000 2.559 502 L HA 0.209 4.549 4.340 -0.001 0.000 0.274 502 L C 0.990 177.707 176.870 -0.255 0.000 1.205 502 L CA 1.492 56.222 54.840 -0.182 0.000 0.907 502 L CB 0.084 41.964 42.059 -0.299 0.000 1.153 502 L HN 0.795 nan 8.230 nan 0.000 0.490 503 G N 2.527 111.203 108.800 -0.206 0.000 2.162 503 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.260 503 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.260 503 G C 0.284 175.191 174.900 0.012 0.000 0.976 503 G CA 0.106 45.152 45.100 -0.091 0.000 0.655 503 G HN 0.835 nan 8.290 nan 0.000 0.533 504 C N 1.368 120.661 119.300 -0.011 0.000 2.507 504 C HA 0.708 5.167 4.460 -0.001 0.000 0.319 504 C C 0.584 175.574 174.990 -0.000 0.000 1.208 504 C CA -0.431 58.586 59.018 -0.002 0.000 1.619 504 C CB 1.551 29.276 27.740 -0.026 0.000 2.230 504 C HN 0.662 nan 8.230 nan 0.000 0.492 505 D N 0.956 121.359 120.400 0.005 0.000 2.440 505 D HA 0.094 4.733 4.640 -0.001 0.000 0.269 505 D C 1.174 177.479 176.300 0.008 0.000 1.249 505 D CA 0.078 54.083 54.000 0.009 0.000 1.055 505 D CB 0.221 41.028 40.800 0.012 0.000 1.104 505 D HN 0.514 nan 8.370 nan 0.000 0.561 506 S N -0.912 114.799 115.700 0.020 0.000 2.402 506 S HA -0.062 4.407 4.470 -0.001 0.000 0.229 506 S C 2.042 176.665 174.600 0.039 0.000 1.021 506 S CA 0.945 59.168 58.200 0.038 0.000 0.974 506 S CB -0.839 62.392 63.200 0.051 0.000 0.800 506 S HN 0.668 nan 8.310 nan 0.000 0.484 507 A N 1.999 124.833 122.820 0.023 0.000 1.929 507 A HA 0.007 4.327 4.320 -0.001 0.000 0.216 507 A C 2.122 179.700 177.584 -0.009 0.000 1.176 507 A CA 1.241 53.288 52.037 0.017 0.000 0.628 507 A CB -0.560 18.448 19.000 0.013 0.000 0.816 507 A HN 0.626 nan 8.150 nan 0.000 0.444 508 E N 0.140 120.328 120.200 -0.020 0.000 2.106 508 E HA -0.095 4.254 4.350 -0.001 0.000 0.192 508 E C 2.246 178.789 176.600 -0.095 0.000 0.984 508 E CA 1.243 57.613 56.400 -0.050 0.000 0.806 508 E CB -0.143 29.537 29.700 -0.034 0.000 0.750 508 E HN 0.572 nan 8.360 nan 0.000 0.458 509 S N 1.127 116.783 115.700 -0.074 0.000 2.368 509 S HA -0.194 4.275 4.470 -0.001 0.000 0.225 509 S C 2.196 176.723 174.600 -0.120 0.000 1.030 509 S CA 1.053 59.190 58.200 -0.104 0.000 0.999 509 S CB -0.271 62.899 63.200 -0.051 0.000 0.844 509 S HN 0.394 nan 8.310 nan 0.000 0.459 510 A N 2.753 125.531 122.820 -0.069 0.000 1.902 510 A HA -0.177 4.143 4.320 -0.001 0.000 0.217 510 A C 2.174 179.710 177.584 -0.080 0.000 1.181 510 A CA 1.655 53.648 52.037 -0.074 0.000 0.623 510 A CB -0.608 18.396 19.000 0.006 0.000 0.818 510 A HN 0.650 nan 8.150 nan 0.000 0.443 511 R N -1.308 119.147 120.500 -0.075 0.000 2.148 511 R HA -0.062 4.278 4.340 -0.001 0.000 0.223 511 R C 1.695 177.925 176.300 -0.116 0.000 1.088 511 R CA 1.269 57.326 56.100 -0.071 0.000 0.985 511 R CB -0.389 29.881 30.300 -0.050 0.000 0.880 511 R HN 0.386 nan 8.270 nan 0.000 0.451 512 Q N 1.200 120.867 119.800 -0.222 0.000 2.167 512 Q HA -0.039 4.300 4.340 -0.001 0.000 0.202 512 Q C 1.797 177.668 176.000 -0.215 0.000 0.970 512 Q CA 1.281 56.843 55.803 -0.403 0.000 0.855 512 Q CB -0.109 28.066 28.738 -0.938 0.000 0.911 512 Q HN 0.469 nan 8.270 nan 0.000 0.438 513 R N 0.472 120.887 120.500 -0.143 0.000 2.339 513 R HA -0.025 4.314 4.340 -0.001 0.000 0.199 513 R C 1.762 178.062 176.300 0.001 0.000 1.018 513 R CA 1.121 57.193 56.100 -0.046 0.000 1.036 513 R CB -0.026 30.216 30.300 -0.096 0.000 0.899 513 R HN 0.276 nan 8.270 nan 0.000 0.473 514 T N -2.749 111.805 114.554 0.001 0.000 3.107 514 T HA 0.157 4.506 4.350 -0.001 0.000 0.249 514 T C 0.527 175.271 174.700 0.074 0.000 1.096 514 T CA -0.030 62.088 62.100 0.031 0.000 1.012 514 T CB 0.282 69.158 68.868 0.014 0.000 0.977 514 T HN -0.045 nan 8.240 nan 0.000 0.527 515 K N 1.583 122.048 120.400 0.108 0.000 2.221 515 K HA 0.581 4.900 4.320 -0.001 0.000 0.243 515 K C -3.054 173.682 176.600 0.226 0.000 0.968 515 K CA -2.742 53.636 56.287 0.151 0.000 0.846 515 K CB 1.344 33.932 32.500 0.146 0.000 1.141 515 K HN -0.068 nan 8.250 nan 0.000 0.434 516 P HA -0.009 nan 4.420 nan 0.000 0.269 516 P C -1.219 176.256 177.300 0.291 0.000 1.209 516 P CA -0.016 63.215 63.100 0.218 0.000 0.776 516 P CB 0.312 31.981 31.700 -0.051 0.000 0.876 517 F N 4.598 124.692 119.950 0.240 0.000 2.469 517 F HA 0.672 5.198 4.527 -0.001 0.000 0.332 517 F C -0.489 175.369 175.800 0.097 0.000 1.103 517 F CA -0.928 57.160 58.000 0.147 0.000 0.979 517 F CB 0.759 39.846 39.000 0.144 0.000 1.137 517 F HN 0.205 nan 8.300 nan 0.000 0.463 518 I N 3.649 123.674 120.570 -0.909 0.000 2.769 518 I HA 0.505 4.674 4.170 -0.001 0.000 0.298 518 I C -1.871 173.551 176.117 -1.158 0.000 1.128 518 I CA -1.074 59.772 61.300 -0.756 0.000 1.031 518 I CB 2.221 39.982 38.000 -0.398 0.000 1.235 518 I HN 0.495 nan 8.210 nan 0.000 0.423 519 L N 4.474 125.277 121.223 -0.699 0.000 2.261 519 L HA 0.261 4.601 4.340 -0.001 0.000 0.289 519 L C 1.227 177.976 176.870 -0.201 0.000 1.059 519 L CA -0.575 53.989 54.840 -0.460 0.000 0.816 519 L CB 1.247 43.071 42.059 -0.392 0.000 1.191 519 L HN 1.047 nan 8.230 nan 0.000 0.431 520 C N 0.338 119.522 119.300 -0.195 0.000 2.481 520 C HA 0.156 4.615 4.460 -0.001 0.000 0.275 520 C C 0.634 175.622 174.990 -0.004 0.000 1.419 520 C CA -0.284 58.654 59.018 -0.132 0.000 1.773 520 C CB -0.989 26.694 27.740 -0.095 0.000 1.862 520 C HN 0.776 nan 8.230 nan 0.000 0.530 521 E N -0.526 119.621 120.200 -0.088 0.000 2.304 521 E HA 0.603 4.953 4.350 -0.001 0.000 0.277 521 E C -1.337 175.076 176.600 -0.312 0.000 0.898 521 E CA -0.376 55.965 56.400 -0.098 0.000 0.764 521 E CB 1.898 31.414 29.700 -0.306 0.000 1.216 521 E HN 0.695 nan 8.360 nan 0.000 0.419 522 Y N -1.537 118.637 120.300 -0.211 0.000 2.725 522 Y HA 0.438 4.987 4.550 -0.001 0.000 0.333 522 Y C 0.047 176.032 175.900 0.141 0.000 1.242 522 Y CA -1.354 56.657 58.100 -0.149 0.000 1.059 522 Y CB 0.828 39.062 38.460 -0.378 0.000 1.306 522 Y HN 0.312 nan 8.280 nan 0.000 0.454 523 V N -0.116 119.720 119.914 -0.131 0.000 5.726 523 V HA -0.300 3.819 4.120 -0.001 0.000 0.260 523 V C 0.007 176.121 176.094 0.033 0.000 0.657 523 V CA 1.398 63.602 62.300 -0.160 0.000 0.584 523 V CB -2.557 28.973 31.823 -0.488 0.000 0.241 523 V HN 1.264 nan 8.190 nan 0.000 0.652 524 H N 2.310 121.473 119.070 0.155 0.000 3.231 524 H HA 0.211 4.766 4.556 -0.001 0.000 0.280 524 H C 1.243 176.584 175.328 0.022 0.000 0.901 524 H CA 0.893 57.043 56.048 0.169 0.000 1.414 524 H CB 1.271 31.036 29.762 0.004 0.000 1.433 524 H HN 1.008 nan 8.280 nan 0.000 0.549 525 A N 6.230 128.923 122.820 -0.212 0.000 2.251 525 A HA 0.005 4.324 4.320 -0.001 0.000 0.209 525 A C 1.339 178.769 177.584 -0.257 0.000 1.187 525 A CA -0.315 51.590 52.037 -0.220 0.000 0.823 525 A CB -0.215 18.632 19.000 -0.255 0.000 0.846 525 A HN 0.824 nan 8.150 nan 0.000 0.486 526 M N 0.802 120.217 119.600 -0.308 0.000 2.261 526 M HA 0.325 4.805 4.480 -0.001 0.000 0.350 526 M C 1.090 177.206 176.300 -0.306 0.000 1.343 526 M CA 1.458 56.590 55.300 -0.280 0.000 1.003 526 M CB -0.235 32.251 32.600 -0.188 0.000 1.848 526 M HN 0.770 nan 8.290 nan 0.000 0.456 527 G N 4.061 112.633 108.800 -0.379 0.000 2.564 527 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.273 527 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.273 527 G C -0.332 174.007 174.900 -0.934 0.000 1.242 527 G CA 0.111 44.816 45.100 -0.658 0.000 0.951 527 G HN 0.937 nan 8.290 nan 0.000 0.564 528 N N 2.360 120.415 118.700 -1.076 0.000 2.420 528 N HA 0.559 5.298 4.740 -0.001 0.000 0.262 528 N C 0.540 175.795 175.510 -0.425 0.000 1.144 528 N CA 1.807 54.391 53.050 -0.777 0.000 0.952 528 N CB 0.227 38.321 38.487 -0.656 0.000 1.081 528 N HN 2.064 nan 8.380 nan 0.000 0.480 529 G N 3.289 111.936 108.800 -0.254 0.000 2.369 529 G HA2 0.044 4.004 3.960 -0.001 0.000 0.307 529 G HA3 0.044 4.004 3.960 -0.001 0.000 0.307 529 G C -3.359 171.477 174.900 -0.107 0.000 1.327 529 G CA -0.868 44.131 45.100 -0.169 0.000 0.963 529 G HN 0.476 nan 8.290 nan 0.000 0.590 530 P HA 0.582 nan 4.420 nan 0.000 0.287 530 P C 0.479 177.766 177.300 -0.022 0.000 1.279 530 P CA 0.078 63.146 63.100 -0.054 0.000 0.867 530 P CB 1.830 33.508 31.700 -0.037 0.000 1.127 531 G N -0.457 108.334 108.800 -0.015 0.000 2.557 531 G HA2 0.427 4.386 3.960 -0.001 0.000 0.292 531 G HA3 0.427 4.386 3.960 -0.001 0.000 0.292 531 G C 0.408 175.350 174.900 0.070 0.000 1.237 531 G CA -0.114 44.989 45.100 0.004 0.000 0.978 531 G HN 0.701 nan 8.290 nan 0.000 0.498 532 A N -1.472 121.388 122.820 0.067 0.000 3.384 532 A HA -0.225 4.094 4.320 -0.001 0.000 0.260 532 A C 1.873 179.590 177.584 0.222 0.000 1.168 532 A CA 1.893 53.993 52.037 0.104 0.000 1.253 532 A CB -2.063 17.014 19.000 0.128 0.000 1.122 532 A HN 0.607 nan 8.150 nan 0.000 0.934 533 M N 0.113 119.832 119.600 0.198 0.000 2.202 533 M HA -0.190 4.289 4.480 -0.001 0.000 0.262 533 M C 1.892 178.294 176.300 0.170 0.000 1.063 533 M CA 2.236 57.682 55.300 0.242 0.000 1.097 533 M CB -0.609 32.070 32.600 0.132 0.000 1.382 533 M HN 0.777 nan 8.290 nan 0.000 0.413 534 D N -0.317 120.096 120.400 0.022 0.000 2.183 534 D HA -0.164 4.475 4.640 -0.001 0.000 0.203 534 D C 1.690 177.985 176.300 -0.007 0.000 0.969 534 D CA 1.118 55.064 54.000 -0.090 0.000 0.842 534 D CB -0.628 40.022 40.800 -0.250 0.000 0.957 534 D HN 0.451 nan 8.370 nan 0.000 0.484 535 Q N -0.658 119.133 119.800 -0.014 0.000 2.079 535 Q HA -0.120 4.220 4.340 -0.001 0.000 0.200 535 Q C 2.066 178.005 176.000 -0.101 0.000 0.974 535 Q CA 1.068 56.794 55.803 -0.129 0.000 0.840 535 Q CB -0.276 28.254 28.738 -0.346 0.000 0.898 535 Q HN 0.408 nan 8.270 nan 0.000 0.430 536 Y N 0.577 120.910 120.300 0.055 0.000 2.181 536 Y HA -0.233 4.316 4.550 -0.001 0.000 0.288 536 Y C 2.394 178.350 175.900 0.093 0.000 1.146 536 Y CA 1.255 59.425 58.100 0.117 0.000 1.164 536 Y CB 0.091 38.724 38.460 0.288 0.000 0.982 536 Y HN 0.120 nan 8.280 nan 0.000 0.515 537 E N 0.224 120.564 120.200 0.234 0.000 2.106 537 E HA -0.136 4.213 4.350 -0.001 0.000 0.192 537 E C 2.212 178.855 176.600 0.071 0.000 0.984 537 E CA 1.062 57.543 56.400 0.134 0.000 0.806 537 E CB -0.310 29.422 29.700 0.053 0.000 0.750 537 E HN 0.346 nan 8.360 nan 0.000 0.458 538 A N 0.322 123.165 122.820 0.038 0.000 1.972 538 A HA -0.131 4.188 4.320 -0.001 0.000 0.219 538 A C 2.187 179.770 177.584 -0.002 0.000 1.169 538 A CA 1.188 53.228 52.037 0.006 0.000 0.635 538 A CB -0.625 18.373 19.000 -0.003 0.000 0.810 538 A HN 0.324 nan 8.150 nan 0.000 0.446 539 L N -0.610 120.642 121.223 0.048 0.000 2.046 539 L HA -0.153 4.186 4.340 -0.001 0.000 0.208 539 L C 2.492 179.430 176.870 0.113 0.000 1.077 539 L CA 1.058 55.963 54.840 0.108 0.000 0.747 539 L CB -0.613 41.558 42.059 0.186 0.000 0.896 539 L HN 0.246 nan 8.230 nan 0.000 0.432 540 V N -0.290 119.692 119.914 0.113 0.000 2.343 540 V HA -0.276 3.844 4.120 -0.001 0.000 0.247 540 V C 2.074 178.184 176.094 0.026 0.000 1.051 540 V CA 1.790 64.144 62.300 0.090 0.000 1.036 540 V CB -0.568 31.314 31.823 0.099 0.000 0.654 540 V HN 0.425 nan 8.190 nan 0.000 0.451 541 D N -0.093 120.310 120.400 0.005 0.000 2.149 541 D HA -0.185 4.455 4.640 -0.001 0.000 0.198 541 D C 2.162 178.408 176.300 -0.089 0.000 0.990 541 D CA 1.458 55.439 54.000 -0.031 0.000 0.839 541 D CB -0.084 40.698 40.800 -0.030 0.000 0.948 541 D HN 0.456 nan 8.370 nan 0.000 0.460 542 K N -1.026 119.268 120.400 -0.177 0.000 2.242 542 K HA -0.014 4.306 4.320 -0.001 0.000 0.200 542 K C -0.162 176.195 176.600 -0.406 0.000 1.050 542 K CA 0.314 56.369 56.287 -0.388 0.000 0.981 542 K CB 0.377 32.468 32.500 -0.683 0.000 0.795 542 K HN 0.089 nan 8.250 nan 0.000 0.477 543 Y N 0.335 120.639 120.300 0.006 0.000 2.376 543 Y HA 0.259 4.809 4.550 -0.001 0.000 0.326 543 Y C -2.062 173.831 175.900 -0.012 0.000 0.970 543 Y CA -2.503 55.600 58.100 0.005 0.000 1.248 543 Y CB 1.944 40.409 38.460 0.008 0.000 1.117 543 Y HN 0.051 nan 8.280 nan 0.000 0.476 544 P HA -0.202 nan 4.420 nan 0.000 0.219 544 P C 1.544 178.836 177.300 -0.013 0.000 1.146 544 P CA 1.330 64.440 63.100 0.017 0.000 0.808 544 P CB 0.234 31.961 31.700 0.045 0.000 0.779 545 R N -0.339 120.234 120.500 0.121 0.000 2.189 545 R HA -0.011 4.329 4.340 -0.001 0.000 0.223 545 R C 0.422 176.919 176.300 0.329 0.000 1.092 545 R CA 0.527 56.761 56.100 0.224 0.000 0.989 545 R CB -0.544 29.867 30.300 0.185 0.000 0.876 545 R HN 0.161 nan 8.270 nan 0.000 0.457 546 L N 1.430 122.781 121.223 0.214 0.000 2.290 546 L HA 0.183 4.523 4.340 -0.001 0.000 0.284 546 L C 0.362 177.328 176.870 0.160 0.000 1.078 546 L CA -0.309 54.733 54.840 0.337 0.000 0.815 546 L CB 1.369 43.591 42.059 0.271 0.000 1.162 546 L HN 0.284 nan 8.230 nan 0.000 0.435 547 H N 2.735 121.941 119.070 0.227 0.000 2.528 547 H HA 0.271 4.827 4.556 -0.001 0.000 0.282 547 H C 0.932 176.317 175.328 0.095 0.000 1.097 547 H CA 0.418 56.547 56.048 0.135 0.000 1.121 547 H CB 1.174 31.038 29.762 0.170 0.000 1.590 547 H HN 0.967 nan 8.280 nan 0.000 0.553 548 G N 0.309 109.189 108.800 0.134 0.000 2.445 548 G HA2 0.033 3.992 3.960 -0.001 0.000 0.212 548 G HA3 0.033 3.992 3.960 -0.001 0.000 0.212 548 G C -0.209 174.602 174.900 -0.148 0.000 1.217 548 G CA -0.468 44.633 45.100 0.003 0.000 1.002 548 G HN 0.692 nan 8.290 nan 0.000 0.574 549 G N -2.085 106.574 108.800 -0.235 0.000 2.466 549 G HA2 0.658 4.618 3.960 -0.001 0.000 0.291 549 G HA3 0.658 4.618 3.960 -0.001 0.000 0.291 549 G C -1.759 173.057 174.900 -0.140 0.000 1.460 549 G CA -0.369 44.513 45.100 -0.363 0.000 0.791 549 G HN 1.064 nan 8.290 nan 0.000 0.505 550 F N 0.930 120.934 119.950 0.089 0.000 2.375 550 F HA 0.469 4.996 4.527 -0.001 0.000 0.361 550 F C 0.792 176.774 175.800 0.303 0.000 1.117 550 F CA -0.765 57.342 58.000 0.178 0.000 1.037 550 F CB 1.992 40.999 39.000 0.013 0.000 1.192 550 F HN 0.243 nan 8.300 nan 0.000 0.452 551 V N 3.645 123.740 119.914 0.301 0.000 2.694 551 V HA -0.183 3.937 4.120 -0.001 0.000 0.306 551 V C -0.065 176.100 176.094 0.118 0.000 1.054 551 V CA -0.216 62.105 62.300 0.035 0.000 1.161 551 V CB 0.410 32.077 31.823 -0.259 0.000 0.916 551 V HN 0.745 nan 8.190 nan 0.000 0.490 552 W N 6.544 127.863 121.300 0.031 0.000 2.291 552 W HA 0.470 5.129 4.660 -0.001 0.000 0.312 552 W C 0.039 176.497 176.519 -0.102 0.000 1.061 552 W CA -0.588 56.798 57.345 0.069 0.000 1.296 552 W CB 1.154 30.798 29.460 0.308 0.000 1.223 552 W HN 0.908 nan 8.180 nan 0.000 0.421 553 E N 3.721 123.548 120.200 -0.621 0.000 2.446 553 E HA 0.172 4.521 4.350 -0.001 0.000 0.267 553 E C 0.630 176.970 176.600 -0.434 0.000 0.955 553 E CA -0.799 55.135 56.400 -0.776 0.000 0.842 553 E CB 0.845 29.651 29.700 -1.490 0.000 1.504 553 E HN 0.475 nan 8.360 nan 0.000 0.438 554 W N 0.998 121.968 121.300 -0.551 0.000 2.353 554 W HA 0.011 4.670 4.660 -0.001 0.000 0.319 554 W C 0.289 176.533 176.519 -0.459 0.000 1.207 554 W CA 0.998 58.074 57.345 -0.448 0.000 1.291 554 W CB 0.357 29.596 29.460 -0.369 0.000 1.159 554 W HN 0.365 nan 8.180 nan 0.000 0.478 555 R N 1.130 121.255 120.500 -0.625 0.000 2.686 555 R HA 0.130 4.469 4.340 -0.001 0.000 0.286 555 R C -1.005 174.751 176.300 -0.907 0.000 0.969 555 R CA -0.947 54.675 56.100 -0.796 0.000 0.898 555 R CB 1.612 31.527 30.300 -0.642 0.000 1.183 555 R HN -0.204 nan 8.270 nan 0.000 0.456 556 D N 1.192 121.160 120.400 -0.721 0.000 2.449 556 D HA 0.003 4.642 4.640 -0.001 0.000 0.236 556 D C -0.053 175.830 176.300 -0.694 0.000 1.149 556 D CA 0.727 54.356 54.000 -0.618 0.000 0.878 556 D CB 0.532 41.084 40.800 -0.413 0.000 1.198 556 D HN 0.475 nan 8.370 nan 0.000 0.446 557 H N -0.309 118.698 119.070 -0.105 0.000 2.476 557 H HA 0.405 4.961 4.556 -0.001 0.000 0.256 557 H C 0.865 176.328 175.328 0.224 0.000 1.321 557 H CA -0.595 55.484 56.048 0.053 0.000 1.056 557 H CB 0.424 30.299 29.762 0.188 0.000 1.643 557 H HN 0.310 nan 8.280 nan 0.000 0.541 558 G N 0.857 109.706 108.800 0.082 0.000 2.491 558 G HA2 0.228 4.188 3.960 -0.001 0.000 0.242 558 G HA3 0.228 4.188 3.960 -0.001 0.000 0.242 558 G C -0.179 174.845 174.900 0.207 0.000 1.266 558 G CA -0.382 44.837 45.100 0.199 0.000 0.844 558 G HN 0.331 nan 8.290 nan 0.000 0.571 559 I N 1.614 122.329 120.570 0.241 0.000 2.330 559 I HA 0.275 4.444 4.170 -0.001 0.000 0.289 559 I C 0.719 176.906 176.117 0.117 0.000 1.001 559 I CA -0.708 60.639 61.300 0.079 0.000 1.193 559 I CB 1.410 39.343 38.000 -0.113 0.000 1.345 559 I HN 0.524 nan 8.210 nan 0.000 0.461 560 R N 4.089 124.662 120.500 0.121 0.000 2.449 560 R HA 0.311 4.650 4.340 -0.001 0.000 0.296 560 R C -0.220 175.979 176.300 -0.169 0.000 1.047 560 R CA 0.571 56.632 56.100 -0.065 0.000 1.018 560 R CB 0.627 30.908 30.300 -0.030 0.000 0.962 560 R HN 0.811 nan 8.270 nan 0.000 0.428 561 T N 2.783 117.107 114.554 -0.384 0.000 2.671 561 T HA 0.499 4.849 4.350 -0.001 0.000 0.300 561 T C -1.404 173.043 174.700 -0.421 0.000 1.238 561 T CA -0.729 61.164 62.100 -0.346 0.000 1.020 561 T CB 1.114 69.825 68.868 -0.262 0.000 1.503 561 T HN 0.636 nan 8.240 nan 0.000 0.497 562 R N 1.057 121.431 120.500 -0.211 0.000 2.686 562 R HA 0.560 4.899 4.340 -0.001 0.000 0.283 562 R C -0.388 175.975 176.300 0.104 0.000 0.978 562 R CA -0.773 55.298 56.100 -0.049 0.000 0.897 562 R CB 1.925 32.198 30.300 -0.044 0.000 1.192 562 R HN 0.869 nan 8.270 nan 0.000 0.457 563 T N -0.739 113.896 114.554 0.136 0.000 2.856 563 T HA 0.105 4.454 4.350 -0.001 0.000 0.306 563 T C 1.509 176.215 174.700 0.010 0.000 1.062 563 T CA -0.048 62.071 62.100 0.031 0.000 1.083 563 T CB 1.238 70.007 68.868 -0.166 0.000 0.984 563 T HN 0.685 nan 8.240 nan 0.000 0.542 564 A N 1.402 124.227 122.820 0.009 0.000 2.042 564 A HA -0.128 4.191 4.320 -0.001 0.000 0.222 564 A C 2.016 179.599 177.584 -0.002 0.000 1.167 564 A CA 1.630 53.672 52.037 0.009 0.000 0.649 564 A CB -0.667 18.340 19.000 0.011 0.000 0.809 564 A HN 0.950 nan 8.150 nan 0.000 0.457 565 E N -1.063 119.130 120.200 -0.013 0.000 2.437 565 E HA 0.330 4.679 4.350 -0.001 0.000 0.195 565 E C 0.865 177.454 176.600 -0.019 0.000 1.029 565 E CA 0.502 56.894 56.400 -0.013 0.000 0.948 565 E CB -0.904 28.790 29.700 -0.012 0.000 1.082 565 E HN 1.058 nan 8.360 nan 0.000 0.456 566 G N 1.498 110.286 108.800 -0.020 0.000 2.141 566 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.242 566 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.242 566 G C 0.035 174.914 174.900 -0.035 0.000 0.982 566 G CA 0.316 45.402 45.100 -0.023 0.000 0.662 566 G HN 0.390 nan 8.290 nan 0.000 0.527 567 M N 1.829 121.399 119.600 -0.050 0.000 2.162 567 M HA 0.561 5.040 4.480 -0.001 0.000 0.356 567 M C 0.494 176.765 176.300 -0.047 0.000 1.303 567 M CA -0.574 54.684 55.300 -0.071 0.000 1.116 567 M CB 0.597 33.115 32.600 -0.136 0.000 1.632 567 M HN 0.357 nan 8.290 nan 0.000 0.469 568 E N 5.718 125.883 120.200 -0.058 0.000 2.313 568 E HA 0.527 4.877 4.350 -0.001 0.000 0.276 568 E C -1.431 175.132 176.600 -0.061 0.000 1.031 568 E CA -0.483 55.855 56.400 -0.102 0.000 0.857 568 E CB 0.546 30.155 29.700 -0.150 0.000 1.040 568 E HN 0.616 nan 8.360 nan 0.000 0.408 569 F N 1.168 120.914 119.950 -0.341 0.000 2.711 569 F HA 0.514 5.040 4.527 -0.002 0.000 0.313 569 F C -1.808 173.800 175.800 -0.321 0.000 1.141 569 F CA -1.470 56.340 58.000 -0.318 0.000 0.941 569 F CB 0.960 39.834 39.000 -0.210 0.000 1.349 569 F HN 0.258 nan 8.300 nan 0.000 0.464 570 F N 2.290 122.310 119.950 0.117 0.000 2.350 570 F HA 0.655 5.181 4.527 -0.001 0.000 0.365 570 F C 0.742 176.614 175.800 0.120 0.000 1.122 570 F CA -0.692 57.325 58.000 0.028 0.000 1.139 570 F CB 1.071 40.138 39.000 0.111 0.000 1.220 570 F HN 0.820 nan 8.300 nan 0.000 0.499 571 A N 4.402 127.218 122.820 -0.006 0.000 2.407 571 A HA 0.473 4.792 4.320 -0.001 0.000 0.248 571 A C -0.819 176.969 177.584 0.340 0.000 1.082 571 A CA -0.177 51.860 52.037 -0.001 0.000 0.785 571 A CB 0.129 18.801 19.000 -0.547 0.000 1.020 571 A HN 0.766 nan 8.150 nan 0.000 0.489 572 Y N -0.293 120.245 120.300 0.396 0.000 2.914 572 Y HA 0.749 5.299 4.550 -0.001 0.000 0.315 572 Y C 0.686 176.765 175.900 0.297 0.000 1.345 572 Y CA -1.562 56.756 58.100 0.364 0.000 1.121 572 Y CB -0.138 38.402 38.460 0.134 0.000 1.363 572 Y HN 0.823 nan 8.280 nan 0.000 0.566 573 G N -0.275 108.782 108.800 0.429 0.000 2.305 573 G HA2 0.384 4.343 3.960 -0.001 0.000 0.243 573 G HA3 0.384 4.343 3.960 -0.001 0.000 0.243 573 G C 0.905 175.851 174.900 0.077 0.000 1.288 573 G CA 0.345 45.657 45.100 0.353 0.000 0.901 573 G HN 1.941 nan 8.290 nan 0.000 0.516 574 G N 2.276 110.904 108.800 -0.286 0.000 2.258 574 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.233 574 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.233 574 G C 0.922 175.716 174.900 -0.178 0.000 1.006 574 G CA 0.658 45.307 45.100 -0.753 0.000 0.620 574 G HN 0.623 nan 8.290 nan 0.000 0.511 575 D N -0.094 120.232 120.400 -0.125 0.000 2.348 575 D HA 0.122 4.762 4.640 -0.001 0.000 0.216 575 D C 1.352 177.480 176.300 -0.286 0.000 0.970 575 D CA 0.537 54.395 54.000 -0.236 0.000 0.889 575 D CB -0.206 40.384 40.800 -0.349 0.000 0.912 575 D HN 0.536 nan 8.370 nan 0.000 0.524 576 F N -0.617 119.434 119.950 0.169 0.000 2.772 576 F HA 0.297 4.823 4.527 -0.002 0.000 0.302 576 F C 1.504 177.393 175.800 0.149 0.000 1.136 576 F CA -0.512 57.580 58.000 0.154 0.000 1.322 576 F CB 0.803 39.913 39.000 0.185 0.000 0.967 576 F HN -0.095 nan 8.300 nan 0.000 0.513 577 G N 0.762 109.705 108.800 0.238 0.000 2.176 577 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.252 577 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.252 577 G C -0.112 174.924 174.900 0.227 0.000 1.024 577 G CA -0.280 44.939 45.100 0.198 0.000 0.755 577 G HN 0.379 nan 8.290 nan 0.000 0.507 578 E N -0.708 119.651 120.200 0.265 0.000 2.413 578 E HA 0.366 4.715 4.350 -0.001 0.000 0.263 578 E C 1.628 178.407 176.600 0.299 0.000 1.015 578 E CA 0.167 56.752 56.400 0.309 0.000 0.916 578 E CB 1.119 31.048 29.700 0.382 0.000 0.947 578 E HN 0.094 nan 8.360 nan 0.000 0.440 579 V N 2.410 122.454 119.914 0.217 0.000 2.323 579 V HA -0.092 4.027 4.120 -0.001 0.000 0.244 579 V C 0.747 176.912 176.094 0.117 0.000 1.041 579 V CA 1.363 63.752 62.300 0.149 0.000 1.025 579 V CB -0.271 31.607 31.823 0.091 0.000 0.656 579 V HN 0.596 nan 8.190 nan 0.000 0.451 580 V N -0.011 119.956 119.914 0.088 0.000 2.604 580 V HA 0.867 4.986 4.120 -0.001 0.000 0.305 580 V C -0.738 175.402 176.094 0.076 0.000 1.043 580 V CA -0.488 61.806 62.300 -0.010 0.000 0.888 580 V CB 1.406 33.172 31.823 -0.094 0.000 0.995 580 V HN 0.789 nan 8.190 nan 0.000 0.429 581 H N 0.541 119.619 119.070 0.014 0.000 2.932 581 H HA 0.622 5.177 4.556 -0.002 0.000 0.307 581 H C -1.278 174.046 175.328 -0.006 0.000 1.391 581 H CA -0.600 55.463 56.048 0.025 0.000 1.130 581 H CB 1.662 31.527 29.762 0.171 0.000 1.836 581 H HN 0.452 nan 8.280 nan 0.000 0.522 582 D N 0.601 121.093 120.400 0.153 0.000 2.696 582 D HA 0.184 4.823 4.640 -0.001 0.000 0.269 582 D C 0.089 176.758 176.300 0.615 0.000 1.319 582 D CA 0.522 54.634 54.000 0.187 0.000 0.826 582 D CB 0.769 41.498 40.800 -0.118 0.000 1.086 582 D HN 0.640 nan 8.370 nan 0.000 0.481 583 S N 1.831 117.993 115.700 0.770 0.000 3.938 583 S HA -0.344 4.126 4.470 -0.001 0.000 0.624 583 S C 0.893 175.628 174.600 0.225 0.000 2.186 583 S CA 1.937 60.467 58.200 0.550 0.000 4.144 583 S CB -1.169 62.260 63.200 0.383 0.000 0.230 583 S HN 0.673 nan 8.310 nan 0.000 0.755 584 N N 0.590 119.119 118.700 -0.285 0.000 2.370 584 N HA 0.263 5.002 4.740 -0.001 0.000 0.198 584 N C 1.095 176.359 175.510 -0.410 0.000 1.156 584 N CA 0.603 53.215 53.050 -0.730 0.000 0.839 584 N CB -0.345 37.372 38.487 -1.282 0.000 0.989 584 N HN 0.421 nan 8.380 nan 0.000 0.468 585 F N -0.144 119.766 119.950 -0.067 0.000 2.408 585 F HA -0.054 4.473 4.527 -0.001 0.000 0.300 585 F C 2.030 177.804 175.800 -0.043 0.000 1.090 585 F CA 0.427 58.462 58.000 0.057 0.000 1.427 585 F CB 0.005 39.139 39.000 0.223 0.000 1.070 585 F HN 0.115 nan 8.300 nan 0.000 0.549 586 V N 0.506 120.197 119.914 -0.371 0.000 3.217 586 V HA -0.066 4.054 4.120 -0.001 0.000 0.264 586 V C 0.989 176.987 176.094 -0.161 0.000 1.135 586 V CA 0.773 62.767 62.300 -0.509 0.000 1.142 586 V CB -0.330 30.683 31.823 -1.351 0.000 0.754 586 V HN 0.046 nan 8.190 nan 0.000 0.484 587 M N 1.831 121.312 119.600 -0.198 0.000 3.266 587 M HA 0.359 4.838 4.480 -0.001 0.000 0.260 587 M C -0.319 175.839 176.300 -0.236 0.000 1.319 587 M CA -0.175 55.001 55.300 -0.208 0.000 1.412 587 M CB -0.123 32.364 32.600 -0.188 0.000 1.113 587 M HN 0.363 nan 8.290 nan 0.000 0.588 588 D N -0.621 119.637 120.400 -0.236 0.000 2.720 588 D HA 0.323 4.963 4.640 -0.001 0.000 0.285 588 D C 0.577 176.650 176.300 -0.380 0.000 1.359 588 D CA -0.227 53.611 54.000 -0.271 0.000 0.818 588 D CB 0.140 40.869 40.800 -0.118 0.000 1.108 588 D HN 0.380 nan 8.370 nan 0.000 0.474 589 G N -0.028 108.523 108.800 -0.415 0.000 2.412 589 G HA2 0.372 4.331 3.960 -0.001 0.000 0.318 589 G HA3 0.372 4.331 3.960 -0.001 0.000 0.318 589 G C 0.866 175.499 174.900 -0.445 0.000 1.146 589 G CA -0.649 44.153 45.100 -0.497 0.000 0.882 589 G HN -0.043 nan 8.290 nan 0.000 0.501 590 M N 0.193 119.489 119.600 -0.507 0.000 2.394 590 M HA 0.036 4.516 4.480 -0.001 0.000 0.264 590 M C 0.442 176.354 176.300 -0.647 0.000 1.073 590 M CA 0.825 55.822 55.300 -0.506 0.000 1.111 590 M CB -0.261 32.039 32.600 -0.499 0.000 1.401 590 M HN 0.112 nan 8.290 nan 0.000 0.448 591 V N 1.408 120.826 119.914 -0.827 0.000 2.540 591 V HA 0.375 4.494 4.120 -0.001 0.000 0.302 591 V C 0.381 176.115 176.094 -0.598 0.000 1.035 591 V CA -0.917 60.895 62.300 -0.813 0.000 0.873 591 V CB 2.274 33.370 31.823 -1.211 0.000 0.992 591 V HN 0.145 nan 8.190 nan 0.000 0.428 592 L N 2.487 123.444 121.223 -0.443 0.000 2.474 592 L HA 0.194 4.534 4.340 -0.001 0.000 0.259 592 L C 1.755 178.350 176.870 -0.458 0.000 1.232 592 L CA -0.016 54.597 54.840 -0.379 0.000 0.821 592 L CB 0.381 42.279 42.059 -0.268 0.000 1.108 592 L HN 0.717 nan 8.230 nan 0.000 0.495 593 S N 0.039 115.395 115.700 -0.572 0.000 2.419 593 S HA -0.139 4.331 4.470 -0.001 0.000 0.233 593 S C 0.978 175.191 174.600 -0.644 0.000 1.016 593 S CA 1.328 59.055 58.200 -0.788 0.000 0.974 593 S CB -0.387 61.947 63.200 -1.444 0.000 0.786 593 S HN 0.832 nan 8.310 nan 0.000 0.492 594 D N 0.188 120.338 120.400 -0.417 0.000 2.336 594 D HA 0.200 4.839 4.640 -0.001 0.000 0.228 594 D C 0.312 176.532 176.300 -0.134 0.000 1.120 594 D CA 0.146 54.064 54.000 -0.137 0.000 0.839 594 D CB -0.367 40.478 40.800 0.075 0.000 0.932 594 D HN 0.061 nan 8.370 nan 0.000 0.509 595 S N -1.775 113.790 115.700 -0.224 0.000 3.171 595 S HA -0.156 4.314 4.470 -0.001 0.000 0.279 595 S C 0.231 174.722 174.600 -0.182 0.000 1.294 595 S CA 0.855 58.935 58.200 -0.200 0.000 1.077 595 S CB -2.188 60.957 63.200 -0.091 0.000 1.298 595 S HN 0.563 nan 8.310 nan 0.000 0.666 596 T N 3.716 118.161 114.554 -0.181 0.000 2.779 596 T HA 0.396 4.746 4.350 -0.001 0.000 0.296 596 T C -2.296 172.259 174.700 -0.241 0.000 0.938 596 T CA -0.799 61.217 62.100 -0.140 0.000 1.119 596 T CB 0.772 69.580 68.868 -0.100 0.000 0.891 596 T HN 0.019 nan 8.240 nan 0.000 0.526 597 P HA 0.153 nan 4.420 nan 0.000 0.268 597 P C 0.377 177.563 177.300 -0.191 0.000 1.204 597 P CA -0.341 62.517 63.100 -0.403 0.000 0.768 597 P CB 0.275 31.626 31.700 -0.581 0.000 0.842 598 T N 0.972 115.386 114.554 -0.233 0.000 2.847 598 T HA 0.288 4.637 4.350 -0.001 0.000 0.279 598 T C -1.830 172.922 174.700 0.088 0.000 0.984 598 T CA -1.922 60.130 62.100 -0.080 0.000 0.988 598 T CB 0.172 69.002 68.868 -0.064 0.000 1.040 598 T HN 0.123 nan 8.240 nan 0.000 0.528 599 P HA 0.012 nan 4.420 nan 0.000 0.218 599 P C 1.754 179.169 177.300 0.191 0.000 1.148 599 P CA 1.158 64.377 63.100 0.198 0.000 0.822 599 P CB -0.413 31.370 31.700 0.138 0.000 0.784 600 G N -0.405 108.460 108.800 0.109 0.000 2.443 600 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.219 600 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.219 600 G C 1.394 176.336 174.900 0.070 0.000 1.131 600 G CA 0.296 45.438 45.100 0.069 0.000 0.775 600 G HN 0.221 nan 8.290 nan 0.000 0.547 601 L N -0.673 120.537 121.223 -0.021 0.000 2.109 601 L HA 0.203 4.542 4.340 -0.001 0.000 0.207 601 L C 2.488 179.427 176.870 0.115 0.000 1.086 601 L CA 1.178 55.955 54.840 -0.105 0.000 0.760 601 L CB -0.585 41.150 42.059 -0.540 0.000 0.910 601 L HN 0.306 nan 8.230 nan 0.000 0.437 602 Y N -0.249 120.172 120.300 0.202 0.000 2.224 602 Y HA -0.246 4.303 4.550 -0.001 0.000 0.289 602 Y C 2.636 178.672 175.900 0.226 0.000 1.146 602 Y CA 1.565 59.862 58.100 0.329 0.000 1.182 602 Y CB -0.162 38.441 38.460 0.239 0.000 0.983 602 Y HN 0.298 nan 8.280 nan 0.000 0.524 603 E N 0.117 120.511 120.200 0.323 0.000 2.031 603 E HA -0.236 4.114 4.350 -0.001 0.000 0.193 603 E C 1.963 178.673 176.600 0.184 0.000 0.994 603 E CA 1.379 57.911 56.400 0.220 0.000 0.800 603 E CB -0.664 29.142 29.700 0.177 0.000 0.752 603 E HN 0.373 nan 8.360 nan 0.000 0.447 604 F N 1.669 121.659 119.950 0.065 0.000 2.063 604 F HA -0.280 4.247 4.527 -0.001 0.000 0.298 604 F C 2.231 178.058 175.800 0.045 0.000 1.109 604 F CA 2.488 60.507 58.000 0.033 0.000 1.212 604 F CB -0.404 38.610 39.000 0.024 0.000 0.973 604 F HN -0.002 nan 8.300 nan 0.000 0.480 605 K N -0.170 120.364 120.400 0.223 0.000 2.044 605 K HA -0.338 3.982 4.320 -0.001 0.000 0.210 605 K C 2.258 178.821 176.600 -0.061 0.000 1.049 605 K CA 1.997 58.346 56.287 0.104 0.000 0.927 605 K CB -0.423 32.250 32.500 0.289 0.000 0.713 605 K HN 0.421 nan 8.250 nan 0.000 0.443 606 Q N 1.082 120.891 119.800 0.016 0.000 2.050 606 Q HA -0.103 4.237 4.340 -0.001 0.000 0.202 606 Q C 1.868 177.805 176.000 -0.104 0.000 0.980 606 Q CA 1.831 57.630 55.803 -0.006 0.000 0.840 606 Q CB -0.207 28.578 28.738 0.078 0.000 0.898 606 Q HN 0.493 nan 8.270 nan 0.000 0.424 607 I N 0.137 120.605 120.570 -0.171 0.000 2.315 607 I HA -0.164 4.005 4.170 -0.001 0.000 0.248 607 I C 1.735 177.646 176.117 -0.342 0.000 1.117 607 I CA 1.139 62.284 61.300 -0.258 0.000 1.404 607 I CB -0.106 37.735 38.000 -0.265 0.000 1.071 607 I HN 0.255 nan 8.210 nan 0.000 0.419 608 V N -2.634 116.955 119.914 -0.540 0.000 3.514 608 V HA 0.191 4.311 4.120 -0.001 0.000 0.301 608 V C 0.947 176.737 176.094 -0.507 0.000 1.346 608 V CA -0.472 61.353 62.300 -0.792 0.000 1.156 608 V CB -0.561 30.415 31.823 -1.411 0.000 1.029 608 V HN 0.238 nan 8.190 nan 0.000 0.428 609 S N 3.055 118.593 115.700 -0.270 0.000 2.563 609 S HA 0.145 4.615 4.470 -0.001 0.000 0.294 609 S C -0.301 174.254 174.600 -0.075 0.000 1.279 609 S CA -0.047 58.074 58.200 -0.132 0.000 1.069 609 S CB 0.902 64.058 63.200 -0.074 0.000 0.828 609 S HN 0.615 nan 8.310 nan 0.000 0.497 610 P HA 0.061 nan 4.420 nan 0.000 0.223 610 P C -0.067 177.246 177.300 0.021 0.000 1.151 610 P CA 0.672 63.788 63.100 0.027 0.000 0.787 610 P CB 0.006 31.730 31.700 0.041 0.000 0.788 611 I N 0.952 121.528 120.570 0.010 0.000 2.359 611 I HA 0.316 4.486 4.170 -0.001 0.000 0.284 611 I C 0.502 176.623 176.117 0.007 0.000 1.018 611 I CA -1.302 60.005 61.300 0.013 0.000 1.173 611 I CB 1.017 39.026 38.000 0.016 0.000 1.326 611 I HN -0.141 nan 8.210 nan 0.000 0.462 612 R N 6.789 127.294 120.500 0.008 0.000 2.297 612 R HA 0.684 5.023 4.340 -0.001 0.000 0.308 612 R C -1.393 174.917 176.300 0.016 0.000 1.029 612 R CA -0.118 55.987 56.100 0.007 0.000 0.929 612 R CB 0.813 31.116 30.300 0.006 0.000 1.046 612 R HN 0.589 nan 8.270 nan 0.000 0.461 613 L N 3.229 124.466 121.223 0.023 0.000 2.346 613 L HA 0.754 5.094 4.340 -0.001 0.000 0.274 613 L C 0.258 177.149 176.870 0.035 0.000 1.007 613 L CA -1.017 53.840 54.840 0.029 0.000 0.818 613 L CB 2.457 44.538 42.059 0.037 0.000 1.284 613 L HN 0.850 nan 8.230 nan 0.000 0.424 614 G N 2.296 111.114 108.800 0.030 0.000 2.620 614 G HA2 0.763 4.723 3.960 -0.001 0.000 0.301 614 G HA3 0.763 4.723 3.960 -0.001 0.000 0.301 614 G C -1.570 173.344 174.900 0.024 0.000 1.347 614 G CA -0.460 44.659 45.100 0.031 0.000 0.971 614 G HN 0.359 nan 8.290 nan 0.000 0.488 615 L N 1.253 122.492 121.223 0.026 0.000 2.381 615 L HA 0.784 5.124 4.340 -0.001 0.000 0.268 615 L C 0.123 176.993 176.870 0.000 0.000 0.997 615 L CA -0.796 54.051 54.840 0.011 0.000 0.818 615 L CB 2.520 44.592 42.059 0.022 0.000 1.310 615 L HN 0.773 nan 8.230 nan 0.000 0.416 616 S N 2.350 118.040 115.700 -0.017 0.000 2.579 616 S HA 0.682 5.152 4.470 -0.001 0.000 0.272 616 S C -1.459 173.118 174.600 -0.039 0.000 1.141 616 S CA -0.787 57.398 58.200 -0.024 0.000 0.843 616 S CB 2.147 65.337 63.200 -0.017 0.000 1.122 616 S HN 0.412 nan 8.310 nan 0.000 0.468 617 L N 2.821 124.018 121.223 -0.044 0.000 2.301 617 L HA 0.609 4.948 4.340 -0.001 0.000 0.278 617 L C -2.388 174.458 176.870 -0.041 0.000 1.022 617 L CA -1.668 53.142 54.840 -0.050 0.000 0.854 617 L CB 0.737 42.759 42.059 -0.061 0.000 1.226 617 L HN 0.641 nan 8.230 nan 0.000 0.429 618 P HA 0.218 nan 4.420 nan 0.000 0.271 618 P C -0.687 176.595 177.300 -0.031 0.000 1.218 618 P CA -0.459 62.623 63.100 -0.030 0.000 0.780 618 P CB 0.847 32.529 31.700 -0.029 0.000 0.901 619 A N 2.143 124.948 122.820 -0.026 0.000 2.537 619 A HA 0.389 4.708 4.320 -0.001 0.000 0.260 619 A C 1.536 179.105 177.584 -0.025 0.000 1.082 619 A CA 0.597 52.619 52.037 -0.025 0.000 0.765 619 A CB -1.516 17.471 19.000 -0.020 0.000 1.019 619 A HN 0.972 nan 8.150 nan 0.000 0.507 620 G N 1.840 110.624 108.800 -0.027 0.000 2.155 620 G HA2 -0.041 3.918 3.960 -0.001 0.000 0.257 620 G HA3 -0.041 3.918 3.960 -0.001 0.000 0.257 620 G C 0.857 175.740 174.900 -0.029 0.000 0.983 620 G CA 0.867 45.951 45.100 -0.026 0.000 0.676 620 G HN 1.806 nan 8.290 nan 0.000 0.528 621 G N -0.981 107.799 108.800 -0.034 0.000 2.671 621 G HA2 0.645 4.605 3.960 -0.001 0.000 0.275 621 G HA3 0.645 4.605 3.960 -0.001 0.000 0.275 621 G C -0.011 174.860 174.900 -0.048 0.000 1.368 621 G CA -0.616 44.461 45.100 -0.038 0.000 1.044 621 G HN 0.350 nan 8.290 nan 0.000 0.543 622 K N 0.171 120.537 120.400 -0.057 0.000 2.139 622 K HA 0.358 4.677 4.320 -0.001 0.000 0.243 622 K C -2.599 173.948 176.600 -0.089 0.000 0.983 622 K CA -1.527 54.714 56.287 -0.078 0.000 0.890 622 K CB 1.745 34.194 32.500 -0.086 0.000 1.090 622 K HN 0.117 nan 8.250 nan 0.000 0.445 623 P HA 0.024 nan 4.420 nan 0.000 0.263 623 P C -0.955 176.277 177.300 -0.113 0.000 1.195 623 P CA 0.301 63.331 63.100 -0.117 0.000 0.762 623 P CB 0.341 31.947 31.700 -0.158 0.000 0.799 624 T N 4.427 118.934 114.554 -0.078 0.000 2.779 624 T HA 0.439 4.788 4.350 -0.001 0.000 0.280 624 T C -0.436 174.236 174.700 -0.046 0.000 0.987 624 T CA -0.388 61.675 62.100 -0.062 0.000 0.966 624 T CB 0.563 69.405 68.868 -0.044 0.000 0.933 624 T HN 0.126 nan 8.240 nan 0.000 0.442 625 L N 3.842 125.039 121.223 -0.043 0.000 2.287 625 L HA 0.786 5.125 4.340 -0.001 0.000 0.287 625 L C -0.227 176.637 176.870 -0.010 0.000 1.022 625 L CA -0.576 54.251 54.840 -0.023 0.000 0.814 625 L CB 0.522 42.567 42.059 -0.023 0.000 1.217 625 L HN 0.740 nan 8.230 nan 0.000 0.420 626 A N 5.250 128.070 122.820 -0.001 0.000 2.290 626 A HA 0.767 5.086 4.320 -0.001 0.000 0.310 626 A C -1.052 176.538 177.584 0.010 0.000 1.202 626 A CA -0.487 51.552 52.037 0.003 0.000 0.837 626 A CB 0.956 19.959 19.000 0.004 0.000 1.139 626 A HN 0.548 nan 8.150 nan 0.000 0.509 627 V N 1.447 121.366 119.914 0.009 0.000 2.531 627 V HA 0.724 4.844 4.120 -0.001 0.000 0.301 627 V C 0.158 176.259 176.094 0.011 0.000 1.034 627 V CA -0.320 61.988 62.300 0.013 0.000 0.865 627 V CB 1.515 33.347 31.823 0.016 0.000 0.995 627 V HN 1.240 nan 8.190 nan 0.000 0.424 628 A N 3.326 126.154 122.820 0.012 0.000 2.330 628 A HA 0.704 5.023 4.320 -0.001 0.000 0.313 628 A C -0.449 177.143 177.584 0.014 0.000 1.124 628 A CA -0.604 51.440 52.037 0.011 0.000 0.774 628 A CB 1.033 20.039 19.000 0.010 0.000 1.198 628 A HN 0.705 nan 8.150 nan 0.000 0.465 629 N N 2.864 121.572 118.700 0.014 0.000 2.415 629 N HA 0.265 5.004 4.740 -0.001 0.000 0.246 629 N C -0.036 175.486 175.510 0.020 0.000 1.078 629 N CA -0.297 52.763 53.050 0.016 0.000 0.942 629 N CB 0.433 38.928 38.487 0.013 0.000 1.140 629 N HN 0.605 nan 8.380 nan 0.000 0.501 630 L N 2.410 123.650 121.223 0.029 0.000 2.653 630 L HA 0.276 4.615 4.340 -0.001 0.000 0.231 630 L C 1.075 177.977 176.870 0.054 0.000 1.153 630 L CA -0.196 54.667 54.840 0.038 0.000 0.933 630 L CB -0.080 42.007 42.059 0.047 0.000 1.175 630 L HN 0.289 nan 8.230 nan 0.000 0.473 631 R N -0.457 120.073 120.500 0.050 0.000 2.774 631 R HA -0.029 4.311 4.340 -0.001 0.000 0.269 631 R C 1.512 177.865 176.300 0.088 0.000 1.068 631 R CA -0.063 56.078 56.100 0.070 0.000 1.180 631 R CB 0.459 30.788 30.300 0.047 0.000 1.077 631 R HN 0.136 nan 8.270 nan 0.000 0.513 632 H N -0.118 118.967 119.070 0.025 0.000 2.372 632 H HA -0.076 4.479 4.556 -0.001 0.000 0.301 632 H C 1.047 176.395 175.328 0.035 0.000 1.065 632 H CA 2.170 58.242 56.048 0.039 0.000 1.364 632 H CB 0.742 30.564 29.762 0.101 0.000 1.406 632 H HN 0.591 nan 8.280 nan 0.000 0.521 633 T N -0.963 113.578 114.554 -0.021 0.000 3.250 633 T HA 0.400 4.749 4.350 -0.001 0.000 0.265 633 T C 0.127 174.800 174.700 -0.044 0.000 0.973 633 T CA 0.350 62.392 62.100 -0.097 0.000 1.040 633 T CB -0.485 68.348 68.868 -0.058 0.000 1.167 633 T HN 0.376 nan 8.240 nan 0.000 0.471 634 A N 2.967 125.776 122.820 -0.019 0.000 2.401 634 A HA 0.549 4.869 4.320 -0.001 0.000 0.259 634 A C 0.103 177.680 177.584 -0.012 0.000 1.103 634 A CA -0.379 51.643 52.037 -0.024 0.000 0.789 634 A CB 0.075 19.057 19.000 -0.030 0.000 1.035 634 A HN 0.718 nan 8.150 nan 0.000 0.491 635 D N 1.166 121.559 120.400 -0.012 0.000 2.393 635 D HA 0.348 4.987 4.640 -0.001 0.000 0.246 635 D C 0.537 176.837 176.300 -0.001 0.000 1.275 635 D CA 0.142 54.139 54.000 -0.004 0.000 0.979 635 D CB 0.702 41.501 40.800 -0.002 0.000 1.101 635 D HN 0.437 nan 8.370 nan 0.000 0.505 636 A N -0.403 122.419 122.820 0.003 0.000 2.532 636 A HA 0.212 4.531 4.320 -0.001 0.000 0.273 636 A C 1.580 179.166 177.584 0.003 0.000 1.342 636 A CA 0.262 52.302 52.037 0.006 0.000 0.929 636 A CB -1.072 17.934 19.000 0.011 0.000 1.051 636 A HN 0.515 nan 8.150 nan 0.000 0.521 637 S N 0.721 116.420 115.700 -0.002 0.000 2.474 637 S HA -0.162 4.308 4.470 -0.001 0.000 0.235 637 S C 1.198 175.793 174.600 -0.009 0.000 0.997 637 S CA 1.154 59.351 58.200 -0.004 0.000 0.949 637 S CB -0.317 62.879 63.200 -0.007 0.000 0.766 637 S HN 0.686 nan 8.310 nan 0.000 0.517 638 D N 0.948 121.342 120.400 -0.010 0.000 2.349 638 D HA 0.086 4.726 4.640 -0.001 0.000 0.215 638 D C 0.328 176.621 176.300 -0.011 0.000 1.016 638 D CA -0.016 53.973 54.000 -0.018 0.000 0.870 638 D CB -0.227 40.560 40.800 -0.022 0.000 0.917 638 D HN 0.351 nan 8.370 nan 0.000 0.524 639 V N 0.841 120.754 119.914 -0.001 0.000 2.547 639 V HA 0.430 4.550 4.120 -0.001 0.000 0.299 639 V C -0.187 175.910 176.094 0.007 0.000 1.040 639 V CA -1.023 61.280 62.300 0.005 0.000 0.913 639 V CB 2.272 34.103 31.823 0.014 0.000 0.992 639 V HN 0.032 nan 8.190 nan 0.000 0.449 640 V N 6.162 126.080 119.914 0.007 0.000 2.823 640 V HA 0.601 4.721 4.120 -0.001 0.000 0.312 640 V C -0.869 175.240 176.094 0.026 0.000 1.072 640 V CA -0.633 61.676 62.300 0.015 0.000 0.937 640 V CB 2.129 33.954 31.823 0.004 0.000 1.013 640 V HN 0.738 nan 8.190 nan 0.000 0.430 641 L N 7.001 128.253 121.223 0.049 0.000 2.264 641 L HA 0.610 4.949 4.340 -0.001 0.000 0.287 641 L C 0.215 177.150 176.870 0.109 0.000 1.039 641 L CA -0.367 54.519 54.840 0.076 0.000 0.829 641 L CB 1.008 43.120 42.059 0.090 0.000 1.211 641 L HN 0.540 nan 8.230 nan 0.000 0.427 642 R N 4.139 124.684 120.500 0.076 0.000 2.312 642 R HA 0.447 4.786 4.340 -0.001 0.000 0.311 642 R C -0.983 175.390 176.300 0.121 0.000 1.004 642 R CA -0.493 55.628 56.100 0.035 0.000 0.902 642 R CB 1.844 32.126 30.300 -0.030 0.000 1.073 642 R HN 0.607 nan 8.270 nan 0.000 0.457 643 W N 2.898 124.200 121.300 0.003 0.000 2.781 643 W HA 0.636 5.296 4.660 -0.001 0.000 0.345 643 W C -0.948 175.576 176.519 0.009 0.000 1.085 643 W CA -1.215 56.137 57.345 0.011 0.000 1.198 643 W CB 0.996 30.465 29.460 0.015 0.000 1.423 643 W HN 0.607 nan 8.180 nan 0.000 0.532 644 R N 1.130 121.815 120.500 0.308 0.000 2.643 644 R HA 0.723 5.062 4.340 -0.001 0.000 0.269 644 R C -2.516 173.983 176.300 0.330 0.000 1.037 644 R CA -0.964 55.240 56.100 0.174 0.000 0.894 644 R CB 2.179 32.468 30.300 -0.018 0.000 1.238 644 R HN 0.387 nan 8.270 nan 0.000 0.459 645 V N 1.516 121.612 119.914 0.303 0.000 2.555 645 V HA 0.478 4.597 4.120 -0.001 0.000 0.302 645 V C -0.980 175.178 176.094 0.107 0.000 1.038 645 V CA -0.398 62.050 62.300 0.247 0.000 0.887 645 V CB 1.901 33.888 31.823 0.275 0.000 0.991 645 V HN 0.904 nan 8.190 nan 0.000 0.434 646 E N 4.482 124.787 120.200 0.175 0.000 2.266 646 E HA 0.535 4.885 4.350 -0.001 0.000 0.268 646 E C -1.700 175.083 176.600 0.306 0.000 0.879 646 E CA -0.847 55.632 56.400 0.132 0.000 0.762 646 E CB 1.749 31.544 29.700 0.159 0.000 1.199 646 E HN 0.709 nan 8.360 nan 0.000 0.422 647 H N 2.100 121.236 119.070 0.110 0.000 2.595 647 H HA 0.158 4.714 4.556 -0.001 0.000 0.313 647 H C -0.726 174.612 175.328 0.016 0.000 1.023 647 H CA -1.051 55.045 56.048 0.079 0.000 1.218 647 H CB 0.582 30.369 29.762 0.042 0.000 1.403 647 H HN 0.536 nan 8.280 nan 0.000 0.477 648 D N 2.955 123.409 120.400 0.091 0.000 2.737 648 D HA -0.189 4.451 4.640 -0.001 0.000 0.233 648 D C 1.400 177.501 176.300 -0.332 0.000 1.155 648 D CA 1.741 55.565 54.000 -0.294 0.000 0.667 648 D CB -1.054 39.605 40.800 -0.234 0.000 1.060 648 D HN 1.101 nan 8.370 nan 0.000 0.427 649 G N -1.676 107.155 108.800 0.052 0.000 2.217 649 G HA2 -0.144 3.815 3.960 -0.001 0.000 0.246 649 G HA3 -0.144 3.815 3.960 -0.001 0.000 0.246 649 G C 0.422 175.348 174.900 0.043 0.000 0.990 649 G CA 0.511 45.693 45.100 0.137 0.000 0.627 649 G HN 1.218 nan 8.290 nan 0.000 0.522 650 A N 0.594 123.432 122.820 0.030 0.000 2.289 650 A HA 0.744 5.063 4.320 -0.001 0.000 0.298 650 A C 0.647 178.213 177.584 -0.029 0.000 1.208 650 A CA 0.015 52.052 52.037 -0.001 0.000 0.845 650 A CB 1.243 20.243 19.000 0.001 0.000 1.125 650 A HN 1.178 nan 8.150 nan 0.000 0.517 651 V N 2.271 122.157 119.914 -0.046 0.000 2.617 651 V HA 0.173 4.293 4.120 -0.001 0.000 0.304 651 V C 1.344 177.360 176.094 -0.130 0.000 1.040 651 V CA 1.294 63.550 62.300 -0.073 0.000 1.149 651 V CB 0.636 32.417 31.823 -0.070 0.000 0.914 651 V HN 1.110 nan 8.190 nan 0.000 0.487 652 A N 3.865 126.563 122.820 -0.203 0.000 2.026 652 A HA 0.808 5.128 4.320 -0.001 0.000 0.201 652 A C 0.823 178.336 177.584 -0.119 0.000 1.318 652 A CA 0.776 52.647 52.037 -0.276 0.000 0.857 652 A CB 0.326 18.866 19.000 -0.766 0.000 0.939 652 A HN 1.338 nan 8.150 nan 0.000 0.476 653 A N -0.940 121.842 122.820 -0.062 0.000 2.608 653 A HA 0.687 5.007 4.320 -0.001 0.000 0.292 653 A C -0.522 176.946 177.584 -0.193 0.000 1.066 653 A CA 0.248 52.270 52.037 -0.026 0.000 0.676 653 A CB 0.555 19.659 19.000 0.174 0.000 1.277 653 A HN 1.526 nan 8.150 nan 0.000 0.413 654 S N -0.641 114.728 115.700 -0.552 0.000 2.615 654 S HA 0.972 5.441 4.470 -0.001 0.000 0.269 654 S C -0.202 173.527 174.600 -1.452 0.000 1.161 654 S CA 0.050 57.575 58.200 -1.124 0.000 0.817 654 S CB 1.115 63.980 63.200 -0.558 0.000 1.131 654 S HN 2.666 nan 8.310 nan 0.000 0.467 655 G N -0.191 107.523 108.800 -1.810 0.000 2.490 655 G HA2 0.609 4.569 3.960 -0.001 0.000 0.308 655 G HA3 0.609 4.569 3.960 -0.001 0.000 0.308 655 G C -2.250 172.237 174.900 -0.688 0.000 1.286 655 G CA -0.697 43.788 45.100 -1.024 0.000 0.825 655 G HN 0.800 nan 8.290 nan 0.000 0.479 656 E N -1.209 118.909 120.200 -0.136 0.000 2.343 656 E HA 0.554 4.904 4.350 -0.001 0.000 0.278 656 E C -0.998 175.700 176.600 0.163 0.000 0.910 656 E CA -0.874 55.546 56.400 0.033 0.000 0.757 656 E CB 3.132 32.819 29.700 -0.021 0.000 1.218 656 E HN 0.834 nan 8.360 nan 0.000 0.435 657 V N -1.165 118.853 119.914 0.173 0.000 3.040 657 V HA 0.930 5.050 4.120 -0.001 0.000 0.312 657 V C -0.349 175.791 176.094 0.076 0.000 1.115 657 V CA -0.934 61.443 62.300 0.128 0.000 0.998 657 V CB 1.551 33.455 31.823 0.135 0.000 1.042 657 V HN 0.770 nan 8.190 nan 0.000 0.433 658 A N 1.980 124.832 122.820 0.053 0.000 2.351 658 A HA 0.809 5.129 4.320 -0.001 0.000 0.257 658 A C 0.654 178.258 177.584 0.032 0.000 1.087 658 A CA -0.061 51.997 52.037 0.035 0.000 0.798 658 A CB 0.684 19.699 19.000 0.025 0.000 1.033 658 A HN 2.322 nan 8.150 nan 0.000 0.488 659 A N 2.527 125.362 122.820 0.025 0.000 2.922 659 A HA 0.497 4.817 4.320 -0.001 0.000 0.298 659 A C 0.017 177.610 177.584 0.016 0.000 1.588 659 A CA -0.309 51.741 52.037 0.021 0.000 1.288 659 A CB -0.361 18.650 19.000 0.020 0.000 1.130 659 A HN 0.703 nan 8.150 nan 0.000 0.557 660 E N 1.065 121.274 120.200 0.015 0.000 2.195 660 E HA 0.573 4.923 4.350 -0.001 0.000 0.271 660 E C 0.433 177.038 176.600 0.009 0.000 0.923 660 E CA -0.288 56.119 56.400 0.011 0.000 0.790 660 E CB 2.270 31.977 29.700 0.012 0.000 1.155 660 E HN 0.546 nan 8.360 nan 0.000 0.402 661 G N 0.163 108.968 108.800 0.008 0.000 3.008 661 G HA2 0.163 4.122 3.960 -0.001 0.000 0.181 661 G HA3 0.163 4.122 3.960 -0.001 0.000 0.181 661 G C 0.809 175.712 174.900 0.006 0.000 1.309 661 G CA 0.117 45.221 45.100 0.006 0.000 1.009 661 G HN 0.428 nan 8.290 nan 0.000 0.584 662 S N -1.599 114.104 115.700 0.005 0.000 2.453 662 S HA 0.024 4.494 4.470 -0.001 0.000 0.231 662 S C 0.441 175.044 174.600 0.005 0.000 1.005 662 S CA 1.494 59.697 58.200 0.005 0.000 0.949 662 S CB 0.149 63.352 63.200 0.004 0.000 0.774 662 S HN 0.399 nan 8.310 nan 0.000 0.510 663 D N 0.428 120.832 120.400 0.006 0.000 2.517 663 D HA 0.485 5.124 4.640 -0.001 0.000 0.263 663 D C 0.555 176.859 176.300 0.007 0.000 1.233 663 D CA 0.714 54.718 54.000 0.007 0.000 0.849 663 D CB 0.523 41.327 40.800 0.007 0.000 1.261 663 D HN 0.417 nan 8.370 nan 0.000 0.516 664 G N 2.842 111.646 108.800 0.007 0.000 2.553 664 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.242 664 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.242 664 G C -2.369 172.534 174.900 0.007 0.000 1.277 664 G CA -0.757 44.347 45.100 0.006 0.000 0.910 664 G HN 0.410 nan 8.290 nan 0.000 0.576 665 P HA 0.280 nan 4.420 nan 0.000 0.267 665 P C 0.610 177.913 177.300 0.006 0.000 1.200 665 P CA -0.375 62.729 63.100 0.006 0.000 0.772 665 P CB 0.383 32.085 31.700 0.004 0.000 0.855 666 L N 3.875 125.102 121.223 0.007 0.000 2.615 666 L HA -0.014 4.325 4.340 -0.001 0.000 0.271 666 L C 1.158 178.031 176.870 0.006 0.000 1.183 666 L CA 0.469 55.314 54.840 0.007 0.000 0.933 666 L CB -0.053 42.011 42.059 0.009 0.000 1.199 666 L HN 0.399 nan 8.230 nan 0.000 0.487 667 R N 3.015 123.518 120.500 0.005 0.000 2.615 667 R HA 0.337 4.676 4.340 -0.001 0.000 0.270 667 R C 0.195 176.496 176.300 0.001 0.000 1.081 667 R CA -0.524 55.577 56.100 0.002 0.000 1.154 667 R CB 0.579 30.881 30.300 0.003 0.000 1.063 667 R HN 0.754 nan 8.270 nan 0.000 0.519 668 A N 1.065 123.882 122.820 -0.005 0.000 2.566 668 A HA 0.307 4.626 4.320 -0.001 0.000 0.245 668 A C 1.246 178.827 177.584 -0.006 0.000 1.056 668 A CA 0.904 52.937 52.037 -0.007 0.000 0.757 668 A CB -0.658 18.326 19.000 -0.026 0.000 0.979 668 A HN 0.933 nan 8.150 nan 0.000 0.508 669 G N 1.315 110.116 108.800 0.002 0.000 2.176 669 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.253 669 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.253 669 G C 0.153 175.055 174.900 0.004 0.000 0.979 669 G CA 0.547 45.649 45.100 0.003 0.000 0.641 669 G HN 1.024 nan 8.290 nan 0.000 0.530 670 E N 0.727 120.929 120.200 0.005 0.000 2.242 670 E HA 0.646 4.995 4.350 -0.001 0.000 0.275 670 E C 0.343 176.947 176.600 0.006 0.000 1.002 670 E CA 0.057 56.460 56.400 0.005 0.000 0.841 670 E CB 1.059 30.762 29.700 0.005 0.000 1.109 670 E HN 0.463 nan 8.360 nan 0.000 0.394 671 S N 1.217 116.920 115.700 0.005 0.000 2.600 671 S HA 0.919 5.389 4.470 -0.001 0.000 0.300 671 S C -0.824 173.779 174.600 0.004 0.000 1.087 671 S CA -0.791 57.412 58.200 0.005 0.000 0.965 671 S CB 1.967 65.170 63.200 0.004 0.000 1.089 671 S HN 0.613 nan 8.310 nan 0.000 0.496 672 A N 0.982 123.805 122.820 0.004 0.000 2.594 672 A HA 0.917 5.236 4.320 -0.001 0.000 0.291 672 A C -0.366 177.219 177.584 0.001 0.000 1.105 672 A CA -0.614 51.424 52.037 0.003 0.000 0.694 672 A CB 1.279 20.282 19.000 0.004 0.000 1.291 672 A HN 1.549 nan 8.150 nan 0.000 0.410 673 T N -1.116 113.436 114.554 -0.003 0.000 2.887 673 T HA 0.781 5.130 4.350 -0.001 0.000 0.288 673 T C -0.733 173.960 174.700 -0.010 0.000 1.021 673 T CA -0.427 61.669 62.100 -0.007 0.000 1.000 673 T CB 0.896 69.758 68.868 -0.010 0.000 1.034 673 T HN 0.592 nan 8.240 nan 0.000 0.467 674 I N 1.868 122.428 120.570 -0.017 0.000 2.478 674 I HA 0.562 4.732 4.170 -0.001 0.000 0.287 674 I C 0.174 176.263 176.117 -0.045 0.000 1.042 674 I CA -1.329 59.957 61.300 -0.022 0.000 1.067 674 I CB 1.893 39.886 38.000 -0.012 0.000 1.233 674 I HN 0.948 nan 8.210 nan 0.000 0.431 675 A N 7.606 130.396 122.820 -0.050 0.000 2.362 675 A HA 0.686 5.006 4.320 -0.001 0.000 0.276 675 A C -0.237 177.281 177.584 -0.110 0.000 1.153 675 A CA -0.216 51.776 52.037 -0.074 0.000 0.813 675 A CB 0.315 19.280 19.000 -0.058 0.000 1.081 675 A HN 0.701 nan 8.150 nan 0.000 0.507 676 L N 2.981 124.097 121.223 -0.178 0.000 2.454 676 L HA 0.364 4.703 4.340 -0.001 0.000 0.256 676 L C -1.892 174.808 176.870 -0.283 0.000 1.136 676 L CA -2.114 52.542 54.840 -0.306 0.000 0.804 676 L CB 0.478 42.233 42.059 -0.508 0.000 1.181 676 L HN 0.428 nan 8.230 nan 0.000 0.469 677 P HA -0.017 nan 4.420 nan 0.000 0.267 677 P C -0.839 176.335 177.300 -0.209 0.000 1.201 677 P CA -0.207 62.766 63.100 -0.211 0.000 0.775 677 P CB 0.364 31.971 31.700 -0.155 0.000 0.854 678 A N 2.990 125.747 122.820 -0.105 0.000 2.540 678 A HA 0.197 4.517 4.320 -0.001 0.000 0.239 678 A C 0.254 177.798 177.584 -0.066 0.000 1.061 678 A CA 0.560 52.551 52.037 -0.077 0.000 0.758 678 A CB -0.686 18.293 19.000 -0.035 0.000 0.991 678 A HN 0.515 nan 8.150 nan 0.000 0.502 679 M N 4.316 123.881 119.600 -0.058 0.000 2.389 679 M HA 0.211 4.691 4.480 -0.001 0.000 0.206 679 M C -2.453 173.861 176.300 0.023 0.000 0.976 679 M CA -1.323 53.974 55.300 -0.006 0.000 0.648 679 M CB 1.164 33.741 32.600 -0.037 0.000 1.474 679 M HN 0.464 nan 8.290 nan 0.000 0.398 680 P HA 0.071 nan 4.420 nan 0.000 0.262 680 P C -0.104 177.204 177.300 0.013 0.000 1.182 680 P CA 0.180 63.289 63.100 0.015 0.000 0.761 680 P CB 0.472 32.185 31.700 0.021 0.000 0.795 681 A N 3.428 126.228 122.820 -0.033 0.000 2.511 681 A HA 0.395 4.714 4.320 -0.001 0.000 0.242 681 A C 0.818 178.308 177.584 -0.157 0.000 1.069 681 A CA 0.052 52.039 52.037 -0.083 0.000 0.763 681 A CB -0.307 18.644 19.000 -0.082 0.000 1.001 681 A HN 0.694 nan 8.150 nan 0.000 0.498 682 A N 4.335 126.948 122.820 -0.345 0.000 2.524 682 A HA 0.437 4.757 4.320 -0.001 0.000 0.250 682 A C -1.056 176.416 177.584 -0.187 0.000 1.078 682 A CA -0.731 51.065 52.037 -0.402 0.000 0.761 682 A CB -0.381 18.221 19.000 -0.663 0.000 1.012 682 A HN 0.657 nan 8.150 nan 0.000 0.500 683 P HA -0.074 nan 4.420 nan 0.000 0.217 683 P C -0.101 177.161 177.300 -0.064 0.000 1.148 683 P CA 1.146 64.201 63.100 -0.074 0.000 0.828 683 P CB 0.080 31.748 31.700 -0.052 0.000 0.783 684 L N -2.312 118.868 121.223 -0.072 0.000 2.354 684 L HA 0.586 4.925 4.340 -0.001 0.000 0.269 684 L C 1.026 177.866 176.870 -0.050 0.000 1.005 684 L CA -0.419 54.392 54.840 -0.049 0.000 0.819 684 L CB 1.547 43.583 42.059 -0.038 0.000 1.311 684 L HN 0.105 nan 8.230 nan 0.000 0.423 685 G N 2.210 110.999 108.800 -0.018 0.000 2.598 685 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.244 685 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.244 685 G C -0.553 174.366 174.900 0.031 0.000 1.302 685 G CA -0.435 44.670 45.100 0.009 0.000 0.903 685 G HN 0.614 nan 8.290 nan 0.000 0.575 686 E N -0.343 119.913 120.200 0.094 0.000 2.214 686 E HA 0.626 4.975 4.350 -0.001 0.000 0.274 686 E C -0.686 176.033 176.600 0.198 0.000 0.977 686 E CA -0.431 56.085 56.400 0.192 0.000 0.827 686 E CB 1.710 31.707 29.700 0.495 0.000 1.130 686 E HN 0.438 nan 8.360 nan 0.000 0.394 687 T N 1.791 116.404 114.554 0.097 0.000 2.881 687 T HA 0.364 4.713 4.350 -0.001 0.000 0.291 687 T C -1.372 173.334 174.700 0.011 0.000 0.990 687 T CA -0.708 61.482 62.100 0.151 0.000 0.976 687 T CB 0.398 69.284 68.868 0.030 0.000 0.970 687 T HN 0.323 nan 8.240 nan 0.000 0.438 688 W N 2.779 124.184 121.300 0.175 0.000 2.785 688 W HA 0.677 5.336 4.660 -0.001 0.000 0.333 688 W C -0.862 175.731 176.519 0.124 0.000 1.062 688 W CA -0.930 56.494 57.345 0.132 0.000 1.233 688 W CB 1.388 30.928 29.460 0.132 0.000 1.413 688 W HN 0.414 nan 8.180 nan 0.000 0.489 689 L N 3.420 124.823 121.223 0.300 0.000 2.295 689 L HA 0.739 5.078 4.340 -0.001 0.000 0.285 689 L C -0.229 176.796 176.870 0.257 0.000 1.035 689 L CA 0.227 55.210 54.840 0.238 0.000 0.806 689 L CB 1.164 43.293 42.059 0.117 0.000 1.214 689 L HN 0.326 nan 8.230 nan 0.000 0.426 690 T N 4.431 119.128 114.554 0.238 0.000 2.841 690 T HA 0.704 5.054 4.350 -0.001 0.000 0.283 690 T C -0.950 173.865 174.700 0.193 0.000 1.000 690 T CA -0.443 61.770 62.100 0.188 0.000 0.977 690 T CB 1.673 70.625 68.868 0.140 0.000 0.979 690 T HN 0.375 nan 8.240 nan 0.000 0.446 691 V N 3.141 123.147 119.914 0.153 0.000 2.588 691 V HA 0.480 4.600 4.120 -0.001 0.000 0.304 691 V C -0.416 175.736 176.094 0.098 0.000 1.042 691 V CA -0.896 61.496 62.300 0.154 0.000 0.877 691 V CB 1.966 33.871 31.823 0.137 0.000 0.996 691 V HN 0.866 nan 8.190 nan 0.000 0.425 692 E N 2.545 122.792 120.200 0.079 0.000 2.199 692 E HA 0.730 5.080 4.350 -0.001 0.000 0.269 692 E C -0.546 176.072 176.600 0.031 0.000 0.899 692 E CA -0.766 55.657 56.400 0.038 0.000 0.772 692 E CB 2.375 32.082 29.700 0.012 0.000 1.155 692 E HN 0.816 nan 8.360 nan 0.000 0.408 693 A N 2.472 125.302 122.820 0.016 0.000 2.320 693 A HA 0.519 4.838 4.320 -0.001 0.000 0.287 693 A C -0.071 177.505 177.584 -0.014 0.000 1.181 693 A CA -0.499 51.544 52.037 0.011 0.000 0.831 693 A CB 0.240 19.248 19.000 0.013 0.000 1.102 693 A HN 0.415 nan 8.150 nan 0.000 0.513 694 V N 1.406 121.314 119.914 -0.011 0.000 3.040 694 V HA 0.704 4.823 4.120 -0.001 0.000 0.312 694 V C -0.521 175.570 176.094 -0.005 0.000 1.115 694 V CA -1.117 61.168 62.300 -0.026 0.000 0.998 694 V CB 1.632 33.432 31.823 -0.038 0.000 1.042 694 V HN 0.694 nan 8.190 nan 0.000 0.433 695 L N 3.229 124.457 121.223 0.008 0.000 2.313 695 L HA 0.492 4.832 4.340 -0.001 0.000 0.282 695 L C 1.786 178.638 176.870 -0.030 0.000 1.092 695 L CA -0.242 54.595 54.840 -0.005 0.000 0.831 695 L CB 0.878 42.929 42.059 -0.013 0.000 1.159 695 L HN 0.880 nan 8.230 nan 0.000 0.442 696 R N 1.448 121.927 120.500 -0.035 0.000 2.080 696 R HA -0.093 4.246 4.340 -0.001 0.000 0.236 696 R C -0.014 176.252 176.300 -0.057 0.000 1.137 696 R CA 1.237 57.313 56.100 -0.039 0.000 0.943 696 R CB 0.286 30.567 30.300 -0.033 0.000 0.846 696 R HN 0.663 nan 8.270 nan 0.000 0.431 697 D N -0.876 119.478 120.400 -0.077 0.000 2.272 697 D HA 0.306 4.945 4.640 -0.001 0.000 0.247 697 D C -0.873 175.338 176.300 -0.148 0.000 0.990 697 D CA -0.241 53.702 54.000 -0.096 0.000 0.931 697 D CB 1.652 42.398 40.800 -0.089 0.000 1.195 697 D HN 0.294 nan 8.370 nan 0.000 0.477 698 A N 0.682 123.409 122.820 -0.155 0.000 2.445 698 A HA 0.480 4.799 4.320 -0.001 0.000 0.242 698 A C 0.671 178.072 177.584 -0.304 0.000 1.075 698 A CA 0.005 51.910 52.037 -0.219 0.000 0.777 698 A CB -0.053 18.851 19.000 -0.160 0.000 1.013 698 A HN 0.583 nan 8.150 nan 0.000 0.493 699 T N -1.159 113.099 114.554 -0.494 0.000 2.841 699 T HA 0.581 4.930 4.350 -0.001 0.000 0.276 699 T C 1.355 175.773 174.700 -0.469 0.000 1.003 699 T CA -0.012 61.727 62.100 -0.602 0.000 0.995 699 T CB 1.083 69.192 68.868 -1.264 0.000 1.260 699 T HN 1.007 nan 8.240 nan 0.000 0.581 700 G N -0.450 108.151 108.800 -0.331 0.000 2.462 700 G HA2 -0.099 3.860 3.960 -0.001 0.000 0.220 700 G HA3 -0.099 3.860 3.960 -0.001 0.000 0.220 700 G C 1.061 175.938 174.900 -0.038 0.000 1.121 700 G CA 0.717 45.754 45.100 -0.104 0.000 0.758 700 G HN 0.897 nan 8.290 nan 0.000 0.559 701 W N -1.455 119.801 121.300 -0.073 0.000 3.008 701 W HA 0.735 5.394 4.660 -0.001 0.000 0.355 701 W C 0.068 176.506 176.519 -0.135 0.000 1.095 701 W CA -0.077 57.220 57.345 -0.080 0.000 1.738 701 W CB -0.180 29.233 29.460 -0.079 0.000 1.091 701 W HN 0.300 nan 8.180 nan 0.000 0.574 702 A N 2.431 124.985 122.820 -0.443 0.000 2.549 702 A HA 0.694 5.013 4.320 -0.001 0.000 0.297 702 A C -2.721 174.674 177.584 -0.315 0.000 1.061 702 A CA -1.326 50.468 52.037 -0.404 0.000 0.690 702 A CB 1.434 19.973 19.000 -0.768 0.000 1.287 702 A HN -0.201 nan 8.150 nan 0.000 0.402 703 P HA 0.399 nan 4.420 nan 0.000 0.272 703 P C 0.172 177.415 177.300 -0.095 0.000 1.240 703 P CA 0.101 63.142 63.100 -0.097 0.000 0.791 703 P CB 0.716 32.399 31.700 -0.030 0.000 0.978 704 A N 0.581 123.352 122.820 -0.081 0.000 2.520 704 A HA 0.410 4.730 4.320 -0.001 0.000 0.235 704 A C 1.426 178.990 177.584 -0.032 0.000 1.065 704 A CA 0.739 52.735 52.037 -0.069 0.000 0.764 704 A CB -1.514 17.449 19.000 -0.061 0.000 1.002 704 A HN 0.913 nan 8.150 nan 0.000 0.502 705 G N 0.239 109.024 108.800 -0.025 0.000 2.143 705 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.249 705 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.249 705 G C 0.178 175.081 174.900 0.006 0.000 0.981 705 G CA 0.685 45.775 45.100 -0.015 0.000 0.665 705 G HN 1.779 nan 8.290 nan 0.000 0.528 706 H N 2.465 121.492 119.070 -0.071 0.000 3.046 706 H HA 0.411 4.966 4.556 -0.001 0.000 0.303 706 H C -1.744 173.567 175.328 -0.028 0.000 1.002 706 H CA -0.340 55.677 56.048 -0.053 0.000 1.460 706 H CB 0.874 30.590 29.762 -0.077 0.000 1.493 706 H HN 0.239 nan 8.280 nan 0.000 0.559 707 P HA -0.006 nan 4.420 nan 0.000 0.276 707 P C 0.170 177.206 177.300 -0.441 0.000 1.230 707 P CA -0.006 62.874 63.100 -0.365 0.000 0.776 707 P CB 1.455 33.015 31.700 -0.233 0.000 0.888 708 L N 1.401 122.517 121.223 -0.179 0.000 2.316 708 L HA 0.398 4.738 4.340 -0.001 0.000 0.207 708 L C 1.365 178.198 176.870 -0.063 0.000 1.070 708 L CA 0.777 55.566 54.840 -0.085 0.000 0.820 708 L CB -0.250 41.806 42.059 -0.005 0.000 0.992 708 L HN 0.569 nan 8.230 nan 0.000 0.466 709 G N -0.876 107.897 108.800 -0.045 0.000 2.451 709 G HA2 0.657 4.616 3.960 -0.001 0.000 0.292 709 G HA3 0.657 4.616 3.960 -0.001 0.000 0.292 709 G C -2.187 172.716 174.900 0.005 0.000 1.427 709 G CA 0.137 45.228 45.100 -0.014 0.000 0.792 709 G HN 0.116 nan 8.290 nan 0.000 0.498 710 A N -1.339 121.498 122.820 0.027 0.000 2.594 710 A HA 0.981 5.300 4.320 -0.001 0.000 0.291 710 A C -1.449 176.171 177.584 0.061 0.000 1.105 710 A CA -0.364 51.699 52.037 0.043 0.000 0.694 710 A CB 1.880 20.904 19.000 0.040 0.000 1.291 710 A HN 2.166 nan 8.150 nan 0.000 0.410 711 V N 0.079 120.038 119.914 0.074 0.000 3.049 711 V HA 0.655 4.775 4.120 -0.001 0.000 0.309 711 V C -1.209 174.955 176.094 0.117 0.000 1.148 711 V CA -0.363 61.991 62.300 0.090 0.000 0.990 711 V CB 2.174 34.045 31.823 0.079 0.000 1.039 711 V HN 1.028 nan 8.190 nan 0.000 0.430 712 Q N 2.435 122.325 119.800 0.150 0.000 2.399 712 Q HA 0.696 5.035 4.340 -0.001 0.000 0.276 712 Q C -1.905 174.232 176.000 0.228 0.000 1.098 712 Q CA -0.889 55.055 55.803 0.234 0.000 0.827 712 Q CB 2.764 31.695 28.738 0.321 0.000 1.386 712 Q HN 0.614 nan 8.270 nan 0.000 0.443 713 L N 1.257 122.613 121.223 0.221 0.000 2.436 713 L HA 0.371 4.710 4.340 -0.001 0.000 0.268 713 L C -1.489 175.272 176.870 -0.180 0.000 0.974 713 L CA -0.459 54.408 54.840 0.046 0.000 0.826 713 L CB 1.925 43.982 42.059 -0.004 0.000 1.291 713 L HN 0.470 nan 8.230 nan 0.000 0.406 714 D N 4.290 124.348 120.400 -0.570 0.000 2.325 714 D HA 0.240 4.879 4.640 -0.001 0.000 0.251 714 D C 0.271 176.239 176.300 -0.552 0.000 1.196 714 D CA 0.278 53.585 54.000 -1.155 0.000 0.866 714 D CB 0.874 40.929 40.800 -1.241 0.000 1.101 714 D HN 0.647 nan 8.370 nan 0.000 0.476 715 L N 2.308 123.256 121.223 -0.458 0.000 2.857 715 L HA 0.168 4.508 4.340 -0.001 0.000 0.249 715 L C 0.685 177.433 176.870 -0.203 0.000 1.172 715 L CA -0.270 54.429 54.840 -0.235 0.000 0.980 715 L CB 0.242 42.224 42.059 -0.128 0.000 1.299 715 L HN 0.177 nan 8.230 nan 0.000 0.535 716 S N 1.387 116.925 115.700 -0.270 0.000 2.558 716 S HA 0.298 4.768 4.470 -0.001 0.000 0.288 716 S C 0.777 175.313 174.600 -0.106 0.000 1.318 716 S CA -0.416 57.687 58.200 -0.162 0.000 1.056 716 S CB 0.953 64.071 63.200 -0.135 0.000 0.853 716 S HN 0.337 nan 8.310 nan 0.000 0.505 717 A N 4.386 127.159 122.820 -0.078 0.000 2.507 717 A HA 0.361 4.680 4.320 -0.001 0.000 0.235 717 A C -2.065 175.496 177.584 -0.040 0.000 1.070 717 A CA -1.041 50.961 52.037 -0.057 0.000 0.768 717 A CB -0.854 18.114 19.000 -0.054 0.000 1.011 717 A HN 0.573 nan 8.150 nan 0.000 0.502 718 P HA 0.193 nan 4.420 nan 0.000 0.261 718 P C -0.102 177.196 177.300 -0.005 0.000 1.173 718 P CA 0.766 63.855 63.100 -0.017 0.000 0.760 718 P CB 0.257 31.948 31.700 -0.015 0.000 0.783 719 A N 3.620 126.445 122.820 0.008 0.000 2.520 719 A HA 0.202 4.522 4.320 -0.001 0.000 0.245 719 A C 0.113 177.709 177.584 0.021 0.000 1.072 719 A CA -0.133 51.919 52.037 0.025 0.000 0.761 719 A CB -0.171 18.853 19.000 0.041 0.000 1.004 719 A HN 0.395 nan 8.150 nan 0.000 0.499 720 V N 6.352 126.280 119.914 0.022 0.000 2.320 720 V HA 0.283 4.402 4.120 -0.001 0.000 0.265 720 V C -1.710 174.401 176.094 0.027 0.000 1.048 720 V CA -1.182 61.129 62.300 0.019 0.000 0.865 720 V CB 0.474 32.303 31.823 0.011 0.000 1.043 720 V HN 0.915 nan 8.190 nan 0.000 0.474 721 P HA 0.194 nan 4.420 nan 0.000 0.271 721 P C 0.293 177.610 177.300 0.028 0.000 1.216 721 P CA 0.023 63.143 63.100 0.032 0.000 0.771 721 P CB 0.731 32.448 31.700 0.029 0.000 0.864 722 T N 0.994 115.567 114.554 0.032 0.000 2.856 722 T HA 0.196 4.545 4.350 -0.001 0.000 0.306 722 T C 0.374 175.088 174.700 0.022 0.000 1.062 722 T CA -0.697 61.418 62.100 0.026 0.000 1.083 722 T CB 0.433 69.318 68.868 0.028 0.000 0.984 722 T HN 0.361 nan 8.240 nan 0.000 0.542 723 R N 2.268 122.778 120.500 0.017 0.000 2.205 723 R HA 0.428 4.768 4.340 -0.001 0.000 0.342 723 R C -0.129 176.181 176.300 0.017 0.000 1.058 723 R CA -0.464 55.645 56.100 0.016 0.000 0.904 723 R CB 0.791 31.099 30.300 0.013 0.000 1.089 723 R HN 0.582 nan 8.270 nan 0.000 0.471 724 S N 4.139 119.849 115.700 0.018 0.000 2.584 724 S HA 0.288 4.757 4.470 -0.001 0.000 0.273 724 S C -1.809 172.802 174.600 0.019 0.000 1.311 724 S CA -1.199 57.012 58.200 0.019 0.000 1.034 724 S CB 0.668 63.879 63.200 0.018 0.000 0.939 724 S HN 0.451 nan 8.310 nan 0.000 0.513 725 P HA 0.072 nan 4.420 nan 0.000 0.265 725 P C -0.187 177.126 177.300 0.021 0.000 1.193 725 P CA -0.279 62.834 63.100 0.022 0.000 0.765 725 P CB 0.370 32.088 31.700 0.029 0.000 0.823 726 R N 3.965 124.477 120.500 0.019 0.000 2.585 726 R HA 0.087 4.427 4.340 -0.001 0.000 0.275 726 R C -1.923 174.389 176.300 0.020 0.000 1.018 726 R CA -0.980 55.131 56.100 0.018 0.000 1.072 726 R CB -0.554 29.756 30.300 0.016 0.000 0.953 726 R HN 0.344 nan 8.270 nan 0.000 0.419 727 P HA 0.023 nan 4.420 nan 0.000 0.265 727 P C -1.435 175.877 177.300 0.021 0.000 1.193 727 P CA 0.202 63.315 63.100 0.021 0.000 0.765 727 P CB 1.117 32.829 31.700 0.020 0.000 0.823 728 A N 2.475 125.309 122.820 0.023 0.000 2.355 728 A HA 0.586 4.906 4.320 -0.001 0.000 0.324 728 A C -0.029 177.567 177.584 0.020 0.000 1.117 728 A CA -0.440 51.610 52.037 0.021 0.000 0.785 728 A CB 0.670 19.684 19.000 0.023 0.000 1.254 728 A HN 0.427 nan 8.150 nan 0.000 0.453 729 T N 3.863 118.427 114.554 0.016 0.000 2.884 729 T HA 0.432 4.782 4.350 -0.001 0.000 0.298 729 T C -2.310 172.398 174.700 0.013 0.000 0.998 729 T CA -0.212 61.897 62.100 0.015 0.000 1.124 729 T CB 0.337 69.212 68.868 0.013 0.000 0.931 729 T HN 0.461 nan 8.240 nan 0.000 0.531 730 P HA 0.246 nan 4.420 nan 0.000 0.268 730 P C -0.661 176.642 177.300 0.005 0.000 1.205 730 P CA -0.260 62.846 63.100 0.010 0.000 0.771 730 P CB 0.426 32.133 31.700 0.011 0.000 0.858 731 L N 1.996 123.219 121.223 0.001 0.000 2.375 731 L HA 0.412 4.752 4.340 -0.001 0.000 0.268 731 L C 0.575 177.442 176.870 -0.004 0.000 1.058 731 L CA -0.948 53.891 54.840 -0.001 0.000 0.803 731 L CB 0.561 42.617 42.059 -0.003 0.000 1.212 731 L HN 0.234 nan 8.230 nan 0.000 0.451 732 D N 0.569 120.967 120.400 -0.003 0.000 2.358 732 D HA 0.558 5.197 4.640 -0.001 0.000 0.244 732 D C 0.502 176.798 176.300 -0.007 0.000 1.163 732 D CA 0.708 54.706 54.000 -0.004 0.000 0.945 732 D CB 1.212 42.011 40.800 -0.002 0.000 1.152 732 D HN 0.811 nan 8.370 nan 0.000 0.451 733 G N -0.752 108.043 108.800 -0.008 0.000 2.631 733 G HA2 0.288 4.248 3.960 -0.001 0.000 0.504 733 G HA3 0.288 4.248 3.960 -0.001 0.000 0.504 733 G C -0.333 174.558 174.900 -0.015 0.000 1.306 733 G CA -0.407 44.687 45.100 -0.010 0.000 0.897 733 G HN 0.736 nan 8.290 nan 0.000 0.520 734 A N -0.397 122.414 122.820 -0.015 0.000 2.540 734 A HA 0.541 4.860 4.320 -0.001 0.000 0.239 734 A C 1.030 178.595 177.584 -0.033 0.000 1.061 734 A CA 0.472 52.498 52.037 -0.019 0.000 0.758 734 A CB -0.187 18.805 19.000 -0.014 0.000 0.991 734 A HN 1.373 nan 8.150 nan 0.000 0.502 735 L N 3.958 125.154 121.223 -0.044 0.000 2.439 735 L HA 0.300 4.639 4.340 -0.001 0.000 0.269 735 L C -1.565 175.260 176.870 -0.076 0.000 1.179 735 L CA -1.573 53.220 54.840 -0.078 0.000 0.828 735 L CB 0.070 42.071 42.059 -0.096 0.000 1.106 735 L HN 0.559 nan 8.230 nan 0.000 0.467 736 P HA 0.032 nan 4.420 nan 0.000 0.271 736 P C 0.549 177.826 177.300 -0.038 0.000 1.216 736 P CA -0.295 62.761 63.100 -0.073 0.000 0.776 736 P CB 1.496 33.139 31.700 -0.096 0.000 0.881 737 V N 1.333 121.262 119.914 0.025 0.000 2.788 737 V HA -0.035 4.084 4.120 -0.001 0.000 0.251 737 V C 1.348 177.536 176.094 0.156 0.000 1.068 737 V CA 1.954 64.302 62.300 0.081 0.000 1.090 737 V CB -0.282 31.569 31.823 0.047 0.000 0.710 737 V HN 0.861 nan 8.190 nan 0.000 0.467 738 S N -0.369 115.406 115.700 0.125 0.000 2.546 738 S HA 0.744 5.214 4.470 -0.001 0.000 0.274 738 S C -1.315 173.367 174.600 0.136 0.000 1.121 738 S CA -0.647 57.641 58.200 0.147 0.000 0.887 738 S CB 2.198 65.439 63.200 0.070 0.000 1.094 738 S HN 0.082 nan 8.310 nan 0.000 0.474 739 L N 3.201 124.530 121.223 0.177 0.000 2.518 739 L HA 0.607 4.946 4.340 -0.001 0.000 0.262 739 L C 1.064 178.016 176.870 0.136 0.000 0.982 739 L CA -0.109 54.826 54.840 0.158 0.000 0.873 739 L CB 0.966 43.154 42.059 0.214 0.000 1.198 739 L HN 1.271 nan 8.230 nan 0.000 0.427 740 G N 4.109 112.960 108.800 0.086 0.000 2.660 740 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.321 740 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.321 740 G C -1.342 173.582 174.900 0.039 0.000 1.246 740 G CA 0.482 45.617 45.100 0.058 0.000 1.000 740 G HN 0.542 nan 8.290 nan 0.000 0.550 741 P HA 0.468 nan 4.420 nan 0.000 0.249 741 P C 0.312 177.598 177.300 -0.024 0.000 1.229 741 P CA 1.355 64.450 63.100 -0.007 0.000 0.788 741 P CB 0.073 31.746 31.700 -0.045 0.000 1.072 742 A N -0.186 122.622 122.820 -0.020 0.000 2.312 742 A HA 0.623 4.942 4.320 -0.001 0.000 0.326 742 A C -0.109 177.336 177.584 -0.232 0.000 1.172 742 A CA -0.146 51.784 52.037 -0.179 0.000 0.821 742 A CB 0.606 19.453 19.000 -0.256 0.000 1.166 742 A HN -0.007 nan 8.150 nan 0.000 0.493 743 T N 1.932 116.256 114.554 -0.383 0.000 2.829 743 T HA 0.650 5.000 4.350 -0.001 0.000 0.280 743 T C -1.046 173.330 174.700 -0.539 0.000 0.999 743 T CA 0.114 62.048 62.100 -0.276 0.000 0.983 743 T CB 0.450 69.248 68.868 -0.117 0.000 0.968 743 T HN 0.359 nan 8.240 nan 0.000 0.446 744 F N 1.531 121.410 119.950 -0.117 0.000 2.546 744 F HA 0.496 5.023 4.527 -0.001 0.000 0.320 744 F C 0.192 175.947 175.800 -0.075 0.000 1.076 744 F CA -1.148 56.776 58.000 -0.128 0.000 0.928 744 F CB 1.548 40.438 39.000 -0.183 0.000 1.189 744 F HN 0.369 nan 8.300 nan 0.000 0.465 745 D N 2.071 122.540 120.400 0.116 0.000 2.453 745 D HA 0.446 5.086 4.640 -0.001 0.000 0.238 745 D C 0.088 176.428 176.300 0.066 0.000 1.088 745 D CA -0.177 53.864 54.000 0.068 0.000 0.854 745 D CB 1.285 42.104 40.800 0.032 0.000 1.076 745 D HN 0.837 nan 8.370 nan 0.000 0.533 746 A N 3.137 125.986 122.820 0.048 0.000 2.640 746 A HA 0.044 4.364 4.320 -0.001 0.000 0.300 746 A C 1.526 179.125 177.584 0.026 0.000 1.499 746 A CA 1.765 53.816 52.037 0.024 0.000 0.759 746 A CB -2.013 16.997 19.000 0.017 0.000 1.048 746 A HN 1.768 nan 8.150 nan 0.000 0.450 747 G N -2.821 105.998 108.800 0.032 0.000 2.176 747 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.253 747 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.253 747 G C 0.376 175.361 174.900 0.141 0.000 0.979 747 G CA 0.866 45.968 45.100 0.003 0.000 0.641 747 G HN 1.855 nan 8.290 nan 0.000 0.530 748 T N 1.403 116.054 114.554 0.162 0.000 2.799 748 T HA 0.541 4.891 4.350 -0.001 0.000 0.286 748 T C 0.228 174.994 174.700 0.110 0.000 0.973 748 T CA -0.339 61.844 62.100 0.139 0.000 1.035 748 T CB 1.992 70.900 68.868 0.067 0.000 0.932 748 T HN 0.628 nan 8.240 nan 0.000 0.469 749 L N 5.737 126.967 121.223 0.012 0.000 2.462 749 L HA 0.256 4.596 4.340 -0.001 0.000 0.272 749 L C 0.990 177.758 176.870 -0.170 0.000 1.166 749 L CA 0.471 55.111 54.840 -0.333 0.000 0.880 749 L CB 0.532 42.449 42.059 -0.236 0.000 1.142 749 L HN 0.581 nan 8.230 nan 0.000 0.473 750 V N 0.669 120.445 119.914 -0.229 0.000 3.572 750 V HA 0.474 4.594 4.120 -0.001 0.000 0.260 750 V C 0.414 176.467 176.094 -0.069 0.000 1.324 750 V CA 0.710 62.953 62.300 -0.095 0.000 1.068 750 V CB -0.290 31.497 31.823 -0.059 0.000 0.837 750 V HN 0.855 nan 8.190 nan 0.000 0.450 751 S N -0.214 115.412 115.700 -0.123 0.000 2.550 751 S HA 0.800 5.269 4.470 -0.001 0.000 0.270 751 S C -1.431 173.142 174.600 -0.044 0.000 1.145 751 S CA -0.670 57.510 58.200 -0.034 0.000 0.852 751 S CB 2.242 65.432 63.200 -0.015 0.000 1.119 751 S HN 0.284 nan 8.310 nan 0.000 0.465 752 L N 1.766 123.038 121.223 0.081 0.000 2.410 752 L HA 0.744 5.084 4.340 -0.001 0.000 0.270 752 L C 0.562 177.525 176.870 0.154 0.000 0.983 752 L CA -0.517 54.350 54.840 0.046 0.000 0.822 752 L CB 1.824 43.874 42.059 -0.016 0.000 1.285 752 L HN 1.421 nan 8.230 nan 0.000 0.409 753 A N 2.732 125.580 122.820 0.047 0.000 2.596 753 A HA -0.056 4.263 4.320 -0.001 0.000 0.300 753 A C 1.304 179.072 177.584 0.307 0.000 1.495 753 A CA 1.227 53.319 52.037 0.092 0.000 0.769 753 A CB -1.827 17.090 19.000 -0.139 0.000 1.047 753 A HN 1.804 nan 8.150 nan 0.000 0.436 754 G N -2.657 106.254 108.800 0.185 0.000 2.179 754 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.260 754 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.260 754 G C -0.117 174.846 174.900 0.106 0.000 0.977 754 G CA 0.836 46.015 45.100 0.132 0.000 0.641 754 G HN 1.390 nan 8.290 nan 0.000 0.533 755 Q N 0.219 120.124 119.800 0.176 0.000 2.365 755 Q HA 0.472 4.812 4.340 -0.001 0.000 0.269 755 Q C -2.682 173.356 176.000 0.064 0.000 1.061 755 Q CA -2.035 53.789 55.803 0.034 0.000 0.816 755 Q CB 2.635 31.255 28.738 -0.198 0.000 1.325 755 Q HN 0.234 nan 8.270 nan 0.000 0.446 756 P HA 0.134 nan 4.420 nan 0.000 0.267 756 P C -0.652 176.690 177.300 0.070 0.000 1.209 756 P CA 0.047 63.165 63.100 0.029 0.000 0.763 756 P CB 0.671 32.379 31.700 0.013 0.000 0.816 757 V N 3.156 123.126 119.914 0.094 0.000 2.808 757 V HA 0.353 4.473 4.120 -0.001 0.000 0.308 757 V C -0.094 176.072 176.094 0.120 0.000 1.099 757 V CA -0.431 61.961 62.300 0.152 0.000 0.920 757 V CB 2.420 34.388 31.823 0.242 0.000 1.014 757 V HN 0.487 nan 8.190 nan 0.000 0.425 758 S N 1.812 117.582 115.700 0.117 0.000 2.568 758 S HA 1.009 5.479 4.470 -0.001 0.000 0.302 758 S C 0.204 174.883 174.600 0.132 0.000 1.082 758 S CA -0.025 58.228 58.200 0.088 0.000 1.009 758 S CB 1.883 65.091 63.200 0.014 0.000 1.069 758 S HN 1.683 nan 8.310 nan 0.000 0.500 759 G N 1.602 110.435 108.800 0.056 0.000 2.334 759 G HA2 0.179 4.139 3.960 -0.001 0.000 0.315 759 G HA3 0.179 4.139 3.960 -0.001 0.000 0.315 759 G C -3.583 171.220 174.900 -0.161 0.000 1.284 759 G CA -0.997 44.007 45.100 -0.160 0.000 0.985 759 G HN 0.542 nan 8.290 nan 0.000 0.504 760 P HA 0.473 nan 4.420 nan 0.000 0.278 760 P C -0.775 176.286 177.300 -0.399 0.000 1.238 760 P CA -0.289 62.215 63.100 -0.994 0.000 0.794 760 P CB 1.526 32.582 31.700 -1.073 0.000 0.955 761 R N 2.770 123.054 120.500 -0.361 0.000 2.480 761 R HA 0.403 4.742 4.340 -0.001 0.000 0.306 761 R C -0.558 175.597 176.300 -0.242 0.000 0.958 761 R CA -1.064 54.965 56.100 -0.118 0.000 0.861 761 R CB 0.864 31.134 30.300 -0.050 0.000 1.171 761 R HN 0.366 nan 8.270 nan 0.000 0.445 762 L N 3.183 124.130 121.223 -0.460 0.000 2.540 762 L HA 0.107 4.447 4.340 -0.001 0.000 0.276 762 L C -0.622 175.966 176.870 -0.469 0.000 1.212 762 L CA 0.998 55.417 54.840 -0.701 0.000 0.893 762 L CB 0.543 41.752 42.059 -1.416 0.000 1.138 762 L HN 0.676 nan 8.230 nan 0.000 0.491 763 E N 3.605 123.627 120.200 -0.297 0.000 2.256 763 E HA 0.387 4.737 4.350 -0.001 0.000 0.268 763 E C -0.333 176.102 176.600 -0.275 0.000 0.877 763 E CA -0.335 55.959 56.400 -0.177 0.000 0.757 763 E CB 1.302 31.047 29.700 0.074 0.000 1.183 763 E HN 0.643 nan 8.360 nan 0.000 0.418 764 L N 2.475 123.491 121.223 -0.346 0.000 2.609 764 L HA 0.341 4.681 4.340 -0.001 0.000 0.230 764 L C 0.694 177.322 176.870 -0.404 0.000 1.087 764 L CA -0.345 54.176 54.840 -0.532 0.000 0.874 764 L CB 0.244 41.758 42.059 -0.910 0.000 1.114 764 L HN 0.425 nan 8.230 nan 0.000 0.488 765 W N 3.990 125.042 121.300 -0.414 0.000 2.261 765 W HA 0.324 4.984 4.660 -0.001 0.000 0.323 765 W C -0.109 176.193 176.519 -0.361 0.000 1.243 765 W CA -0.251 56.864 57.345 -0.382 0.000 1.210 765 W CB 0.903 30.234 29.460 -0.216 0.000 1.149 765 W HN 0.064 nan 8.180 nan 0.000 0.562 766 R N 4.002 123.870 120.500 -1.053 0.000 2.854 766 R HA 0.717 5.056 4.340 -0.001 0.000 0.271 766 R C -1.108 174.472 176.300 -1.200 0.000 0.996 766 R CA -0.881 54.688 56.100 -0.884 0.000 0.961 766 R CB 1.327 31.271 30.300 -0.593 0.000 1.182 766 R HN 0.420 nan 8.270 nan 0.000 0.479 767 A N 3.267 125.722 122.820 -0.608 0.000 2.476 767 A HA 0.289 4.608 4.320 -0.001 0.000 0.275 767 A C -2.118 175.282 177.584 -0.307 0.000 1.133 767 A CA -1.346 50.487 52.037 -0.339 0.000 0.797 767 A CB -0.429 18.515 19.000 -0.094 0.000 1.081 767 A HN 0.525 nan 8.150 nan 0.000 0.510 768 P HA 0.098 nan 4.420 nan 0.000 0.264 768 P C 0.725 177.947 177.300 -0.130 0.000 1.193 768 P CA 0.321 63.351 63.100 -0.115 0.000 0.763 768 P CB 0.587 32.265 31.700 -0.037 0.000 0.810 769 T N -0.552 113.914 114.554 -0.148 0.000 2.748 769 T HA 0.043 4.393 4.350 -0.001 0.000 0.304 769 T C 0.996 175.566 174.700 -0.216 0.000 1.041 769 T CA -0.305 61.659 62.100 -0.228 0.000 1.033 769 T CB 0.372 69.076 68.868 -0.273 0.000 0.995 769 T HN 0.294 nan 8.240 nan 0.000 0.536 770 D N 0.908 121.145 120.400 -0.273 0.000 2.149 770 D HA -0.126 4.513 4.640 -0.001 0.000 0.198 770 D C 1.882 178.061 176.300 -0.202 0.000 0.990 770 D CA 1.114 54.954 54.000 -0.267 0.000 0.839 770 D CB -0.217 40.373 40.800 -0.351 0.000 0.948 770 D HN 0.514 nan 8.370 nan 0.000 0.460 771 N N 1.219 119.807 118.700 -0.187 0.000 2.188 771 N HA -0.116 4.623 4.740 -0.001 0.000 0.184 771 N C 1.222 176.650 175.510 -0.137 0.000 1.018 771 N CA 0.745 53.709 53.050 -0.142 0.000 0.858 771 N CB -0.290 38.115 38.487 -0.138 0.000 0.989 771 N HN 0.207 nan 8.380 nan 0.000 0.426 772 D N 0.647 120.960 120.400 -0.146 0.000 2.263 772 D HA -0.090 4.549 4.640 -0.001 0.000 0.208 772 D C 1.325 177.474 176.300 -0.252 0.000 0.971 772 D CA 0.762 54.640 54.000 -0.204 0.000 0.867 772 D CB -0.019 40.705 40.800 -0.127 0.000 0.929 772 D HN 0.321 nan 8.370 nan 0.000 0.492 773 R N -0.089 120.311 120.500 -0.167 0.000 2.334 773 R HA 0.258 4.597 4.340 -0.001 0.000 0.216 773 R C 1.091 177.341 176.300 -0.083 0.000 0.905 773 R CA -0.109 55.918 56.100 -0.123 0.000 1.064 773 R CB 0.845 31.092 30.300 -0.088 0.000 1.046 773 R HN -0.066 nan 8.270 nan 0.000 0.508 774 G N -0.367 108.380 108.800 -0.088 0.000 2.400 774 G HA2 0.461 4.420 3.960 -0.001 0.000 0.301 774 G HA3 0.461 4.420 3.960 -0.001 0.000 0.301 774 G C 0.071 174.932 174.900 -0.066 0.000 1.154 774 G CA -0.246 44.826 45.100 -0.046 0.000 0.852 774 G HN 0.203 nan 8.290 nan 0.000 0.511 775 A N 0.825 123.616 122.820 -0.047 0.000 2.674 775 A HA 0.530 4.850 4.320 -0.001 0.000 0.274 775 A C 1.740 179.299 177.584 -0.043 0.000 1.065 775 A CA 0.981 52.985 52.037 -0.054 0.000 0.978 775 A CB 0.073 19.036 19.000 -0.062 0.000 1.242 775 A HN 0.984 nan 8.150 nan 0.000 0.583 776 G N 0.311 109.093 108.800 -0.030 0.000 2.524 776 G HA2 0.077 4.036 3.960 -0.001 0.000 0.215 776 G HA3 0.077 4.036 3.960 -0.001 0.000 0.215 776 G C 0.597 175.501 174.900 0.007 0.000 1.239 776 G CA 0.519 45.604 45.100 -0.025 0.000 0.798 776 G HN 0.341 nan 8.290 nan 0.000 0.557 777 F N 1.375 121.250 119.950 -0.126 0.000 2.490 777 F HA 0.427 4.954 4.527 -0.001 0.000 0.336 777 F C 1.532 177.242 175.800 -0.150 0.000 1.178 777 F CA 0.072 57.995 58.000 -0.129 0.000 1.301 777 F CB 0.701 39.609 39.000 -0.154 0.000 1.175 777 F HN 0.255 nan 8.300 nan 0.000 0.593 778 G N 0.662 109.456 108.800 -0.009 0.000 2.616 778 G HA2 0.462 4.421 3.960 -0.001 0.000 0.268 778 G HA3 0.462 4.421 3.960 -0.001 0.000 0.268 778 G C -1.019 173.816 174.900 -0.108 0.000 1.213 778 G CA -0.402 44.664 45.100 -0.056 0.000 0.926 778 G HN 0.876 nan 8.290 nan 0.000 0.523 779 A N -0.798 121.970 122.820 -0.087 0.000 2.371 779 A HA 0.472 4.791 4.320 -0.001 0.000 0.257 779 A C 0.351 177.911 177.584 -0.039 0.000 1.089 779 A CA -0.411 51.576 52.037 -0.083 0.000 0.794 779 A CB 0.340 19.321 19.000 -0.031 0.000 1.029 779 A HN 0.777 nan 8.150 nan 0.000 0.488 780 Y N 1.663 121.979 120.300 0.026 0.000 2.519 780 Y HA 0.001 4.551 4.550 -0.001 0.000 0.287 780 Y C 2.366 178.234 175.900 -0.052 0.000 1.128 780 Y CA 0.288 58.373 58.100 -0.025 0.000 1.282 780 Y CB 0.173 38.587 38.460 -0.076 0.000 1.027 780 Y HN 0.882 nan 8.280 nan 0.000 0.551 781 G N 1.836 110.707 108.800 0.118 0.000 2.514 781 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.217 781 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.217 781 G C -0.602 174.314 174.900 0.027 0.000 1.198 781 G CA 0.764 45.892 45.100 0.048 0.000 0.780 781 G HN 0.302 nan 8.290 nan 0.000 0.565 782 P HA 0.249 nan 4.420 nan 0.000 0.239 782 P C 0.483 177.797 177.300 0.023 0.000 1.184 782 P CA 1.100 64.213 63.100 0.020 0.000 0.760 782 P CB 0.285 31.996 31.700 0.019 0.000 0.884 783 G N -1.170 107.650 108.800 0.032 0.000 2.649 783 G HA2 0.244 4.203 3.960 -0.001 0.000 0.290 783 G HA3 0.244 4.203 3.960 -0.001 0.000 0.290 783 G C -1.888 173.023 174.900 0.018 0.000 1.426 783 G CA -0.451 44.667 45.100 0.030 0.000 0.794 783 G HN -0.181 nan 8.290 nan 0.000 0.483 784 D N 0.721 121.137 120.400 0.026 0.000 2.434 784 D HA 0.157 4.797 4.640 -0.001 0.000 0.252 784 D C -0.819 175.501 176.300 0.032 0.000 1.185 784 D CA -1.586 52.431 54.000 0.029 0.000 0.886 784 D CB 1.783 42.624 40.800 0.070 0.000 1.148 784 D HN 0.029 nan 8.370 nan 0.000 0.483 785 P HA -0.081 nan 4.420 nan 0.000 0.230 785 P C 0.913 178.142 177.300 -0.117 0.000 1.158 785 P CA 0.719 63.623 63.100 -0.328 0.000 0.769 785 P CB -0.008 31.002 31.700 -1.151 0.000 0.807 786 W N -0.798 120.498 121.300 -0.008 0.000 2.905 786 W HA 0.112 4.772 4.660 -0.001 0.000 0.251 786 W C 0.793 177.361 176.519 0.082 0.000 1.305 786 W CA -0.235 57.163 57.345 0.087 0.000 1.465 786 W CB -0.507 29.002 29.460 0.083 0.000 1.122 786 W HN -0.159 nan 8.180 nan 0.000 0.659 787 L N 1.120 122.482 121.223 0.233 0.000 2.475 787 L HA 0.060 4.399 4.340 -0.001 0.000 0.253 787 L C 1.282 178.231 176.870 0.133 0.000 1.198 787 L CA -0.342 54.594 54.840 0.161 0.000 0.814 787 L CB -0.315 41.815 42.059 0.118 0.000 1.134 787 L HN 0.098 nan 8.230 nan 0.000 0.478 788 N N 0.423 119.182 118.700 0.097 0.000 2.721 788 N HA -0.272 4.468 4.740 -0.001 0.000 0.249 788 N C 0.111 175.662 175.510 0.068 0.000 1.072 788 N CA 0.995 54.086 53.050 0.067 0.000 0.710 788 N CB -0.903 37.617 38.487 0.055 0.000 0.993 788 N HN 0.668 nan 8.380 nan 0.000 0.547 789 S N -2.433 113.318 115.700 0.085 0.000 3.521 789 S HA -0.140 4.330 4.470 -0.001 0.000 0.328 789 S C 1.307 175.977 174.600 0.117 0.000 1.165 789 S CA 1.565 59.814 58.200 0.081 0.000 0.941 789 S CB -1.980 61.245 63.200 0.042 0.000 0.951 789 S HN 1.978 nan 8.310 nan 0.000 0.539 790 G N 0.575 109.467 108.800 0.154 0.000 2.179 790 G HA2 -0.380 3.579 3.960 -0.001 0.000 0.257 790 G HA3 -0.380 3.579 3.960 -0.001 0.000 0.257 790 G C 0.480 175.656 174.900 0.461 0.000 1.010 790 G CA 0.728 46.000 45.100 0.287 0.000 0.736 790 G HN 0.693 nan 8.290 nan 0.000 0.513 791 R N 0.134 120.762 120.500 0.213 0.000 2.310 791 R HA 0.404 4.744 4.340 -0.001 0.000 0.202 791 R C 1.840 178.152 176.300 0.020 0.000 0.933 791 R CA 0.601 56.685 56.100 -0.026 0.000 1.054 791 R CB -0.001 30.149 30.300 -0.249 0.000 0.985 791 R HN 1.389 nan 8.270 nan 0.000 0.489 792 G N 0.565 109.470 108.800 0.174 0.000 2.645 792 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.239 792 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.239 792 G C -0.580 174.349 174.900 0.049 0.000 1.331 792 G CA -0.529 44.638 45.100 0.111 0.000 0.890 792 G HN 0.057 nan 8.290 nan 0.000 0.572 793 V N 2.181 122.109 119.914 0.024 0.000 2.448 793 V HA 0.527 4.647 4.120 -0.001 0.000 0.295 793 V C -1.836 174.244 176.094 -0.022 0.000 1.025 793 V CA -1.131 61.173 62.300 0.006 0.000 0.859 793 V CB 1.885 33.720 31.823 0.020 0.000 0.988 793 V HN 0.685 nan 8.190 nan 0.000 0.431 794 P HA 0.351 nan 4.420 nan 0.000 0.264 794 P C -0.477 176.802 177.300 -0.036 0.000 1.183 794 P CA 0.492 63.565 63.100 -0.044 0.000 0.763 794 P CB 0.553 32.226 31.700 -0.045 0.000 0.807 795 A N 3.818 126.612 122.820 -0.043 0.000 2.597 795 A HA 0.658 4.978 4.320 -0.001 0.000 0.292 795 A C -2.905 174.647 177.584 -0.054 0.000 1.057 795 A CA -1.131 50.881 52.037 -0.042 0.000 0.674 795 A CB 0.055 19.031 19.000 -0.040 0.000 1.278 795 A HN 0.291 nan 8.150 nan 0.000 0.416 796 P HA 0.374 nan 4.420 nan 0.000 0.273 796 P C 0.372 177.609 177.300 -0.105 0.000 1.250 796 P CA -0.071 62.988 63.100 -0.068 0.000 0.793 796 P CB 0.421 32.087 31.700 -0.057 0.000 1.011 797 S N -0.561 115.066 115.700 -0.122 0.000 2.576 797 S HA 0.041 4.511 4.470 -0.001 0.000 0.272 797 S C 1.247 175.660 174.600 -0.312 0.000 1.352 797 S CA 0.011 58.100 58.200 -0.184 0.000 1.021 797 S CB 0.043 63.147 63.200 -0.160 0.000 0.887 797 S HN 0.338 nan 8.310 nan 0.000 0.542 798 S N 0.836 116.243 115.700 -0.488 0.000 2.370 798 S HA -0.167 4.302 4.470 -0.001 0.000 0.226 798 S C 1.796 175.646 174.600 -1.250 0.000 1.033 798 S CA 1.394 58.998 58.200 -0.993 0.000 1.011 798 S CB -0.683 61.735 63.200 -1.304 0.000 0.852 798 S HN 0.907 nan 8.310 nan 0.000 0.457 799 E N 1.305 121.035 120.200 -0.784 0.000 2.097 799 E HA -0.229 4.120 4.350 -0.001 0.000 0.196 799 E C 2.132 178.712 176.600 -0.033 0.000 1.000 799 E CA 1.212 57.453 56.400 -0.264 0.000 0.804 799 E CB -0.280 29.377 29.700 -0.072 0.000 0.740 799 E HN 0.483 nan 8.360 nan 0.000 0.454 800 A N 0.928 123.689 122.820 -0.098 0.000 1.883 800 A HA -0.181 4.138 4.320 -0.001 0.000 0.217 800 A C 2.473 180.072 177.584 0.024 0.000 1.186 800 A CA 2.185 54.213 52.037 -0.014 0.000 0.624 800 A CB -1.027 17.947 19.000 -0.043 0.000 0.822 800 A HN 0.358 nan 8.150 nan 0.000 0.444 801 V N -4.490 115.393 119.914 -0.051 0.000 2.548 801 V HA -0.147 3.973 4.120 -0.001 0.000 0.249 801 V C 2.161 178.406 176.094 0.252 0.000 1.055 801 V CA 1.286 63.617 62.300 0.051 0.000 1.065 801 V CB -1.153 30.673 31.823 0.006 0.000 0.681 801 V HN 0.643 nan 8.190 nan 0.000 0.462 802 W N 0.962 122.370 121.300 0.181 0.000 2.388 802 W HA 0.121 4.780 4.660 -0.001 0.000 0.294 802 W C 2.560 179.249 176.519 0.283 0.000 1.212 802 W CA 1.009 58.516 57.345 0.270 0.000 1.271 802 W CB -0.770 28.884 29.460 0.323 0.000 1.126 802 W HN 0.250 nan 8.180 nan 0.000 0.535 803 K N 0.378 121.056 120.400 0.464 0.000 2.103 803 K HA -0.157 4.162 4.320 -0.001 0.000 0.204 803 K C 1.916 178.615 176.600 0.167 0.000 1.052 803 K CA 1.054 57.492 56.287 0.252 0.000 0.945 803 K CB -0.472 32.146 32.500 0.198 0.000 0.722 803 K HN 0.283 nan 8.250 nan 0.000 0.443 804 Q N 0.608 120.511 119.800 0.172 0.000 2.084 804 Q HA -0.105 4.235 4.340 -0.001 0.000 0.202 804 Q C 1.679 177.771 176.000 0.153 0.000 0.978 804 Q CA 1.544 57.426 55.803 0.130 0.000 0.844 804 Q CB -0.058 28.748 28.738 0.113 0.000 0.898 804 Q HN 0.246 nan 8.270 nan 0.000 0.426 805 A N -0.228 122.729 122.820 0.229 0.000 2.209 805 A HA 0.200 4.519 4.320 -0.001 0.000 0.212 805 A C 1.497 179.227 177.584 0.244 0.000 1.158 805 A CA 0.914 53.115 52.037 0.274 0.000 0.742 805 A CB -0.613 18.642 19.000 0.425 0.000 0.790 805 A HN 0.700 nan 8.150 nan 0.000 0.472 806 G N -0.940 107.963 108.800 0.172 0.000 2.147 806 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.244 806 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.244 806 G C 0.719 175.662 174.900 0.073 0.000 1.005 806 G CA 0.448 45.602 45.100 0.089 0.000 0.713 806 G HN 0.448 nan 8.290 nan 0.000 0.515 807 L N 0.627 121.935 121.223 0.142 0.000 2.265 807 L HA -0.017 4.322 4.340 -0.001 0.000 0.215 807 L C 2.615 179.467 176.870 -0.030 0.000 1.117 807 L CA 1.677 56.579 54.840 0.102 0.000 0.782 807 L CB -0.340 41.817 42.059 0.163 0.000 0.914 807 L HN 0.538 nan 8.230 nan 0.000 0.441 808 D N 1.065 121.249 120.400 -0.361 0.000 2.363 808 D HA -0.172 4.467 4.640 -0.001 0.000 0.220 808 D C 1.102 177.115 176.300 -0.478 0.000 0.994 808 D CA 0.383 53.808 54.000 -0.958 0.000 0.890 808 D CB 0.013 39.747 40.800 -1.777 0.000 0.906 808 D HN 0.487 nan 8.370 nan 0.000 0.530 809 R N 0.319 120.679 120.500 -0.233 0.000 2.711 809 R HA 0.357 4.697 4.340 -0.001 0.000 0.350 809 R C -0.264 176.015 176.300 -0.035 0.000 1.146 809 R CA -0.595 55.427 56.100 -0.131 0.000 1.190 809 R CB -0.505 29.722 30.300 -0.121 0.000 1.312 809 R HN -0.060 nan 8.270 nan 0.000 0.635 810 L N 1.902 123.124 121.223 -0.002 0.000 2.485 810 L HA 0.176 4.516 4.340 -0.001 0.000 0.275 810 L C 0.714 177.638 176.870 0.090 0.000 1.207 810 L CA 0.261 55.152 54.840 0.084 0.000 0.855 810 L CB 0.858 42.990 42.059 0.122 0.000 1.114 810 L HN 0.388 nan 8.230 nan 0.000 0.485 811 T N 0.618 115.221 114.554 0.081 0.000 2.895 811 T HA 0.451 4.801 4.350 -0.001 0.000 0.283 811 T C -0.335 174.294 174.700 -0.119 0.000 1.014 811 T CA -1.009 61.092 62.100 0.003 0.000 1.037 811 T CB 1.920 70.775 68.868 -0.022 0.000 1.006 811 T HN 0.606 nan 8.240 nan 0.000 0.468 812 R N 1.656 122.001 120.500 -0.260 0.000 2.295 812 R HA 0.492 4.832 4.340 -0.001 0.000 0.324 812 R C -0.482 175.600 176.300 -0.364 0.000 0.968 812 R CA -0.792 54.919 56.100 -0.647 0.000 0.837 812 R CB 0.848 30.831 30.300 -0.528 0.000 1.133 812 R HN 0.794 nan 8.270 nan 0.000 0.450 813 R N 4.173 124.462 120.500 -0.353 0.000 2.480 813 R HA 0.287 4.626 4.340 -0.001 0.000 0.306 813 R C -1.245 174.967 176.300 -0.148 0.000 0.958 813 R CA -0.626 55.366 56.100 -0.180 0.000 0.861 813 R CB 1.737 31.971 30.300 -0.111 0.000 1.171 813 R HN 0.377 nan 8.270 nan 0.000 0.445 814 V N 5.366 125.224 119.914 -0.094 0.000 2.455 814 V HA 0.049 4.168 4.120 -0.001 0.000 0.273 814 V C 0.874 176.951 176.094 -0.028 0.000 1.045 814 V CA 0.214 62.484 62.300 -0.051 0.000 0.976 814 V CB 1.243 33.050 31.823 -0.027 0.000 0.993 814 V HN 0.940 nan 8.190 nan 0.000 0.475 815 E N 2.997 123.190 120.200 -0.012 0.000 2.042 815 E HA 0.036 4.386 4.350 -0.001 0.000 0.189 815 E C -0.179 176.424 176.600 0.006 0.000 0.974 815 E CA 1.137 57.537 56.400 0.000 0.000 0.806 815 E CB 0.324 30.031 29.700 0.013 0.000 0.769 815 E HN 1.015 nan 8.360 nan 0.000 0.451 816 D N -1.481 118.927 120.400 0.013 0.000 2.609 816 D HA 0.403 5.043 4.640 -0.001 0.000 0.239 816 D C -1.250 175.061 176.300 0.019 0.000 1.229 816 D CA -0.804 53.204 54.000 0.013 0.000 0.808 816 D CB 1.748 42.557 40.800 0.014 0.000 1.448 816 D HN -0.168 nan 8.370 nan 0.000 0.433 817 V N -0.520 119.400 119.914 0.011 0.000 2.709 817 V HA 0.952 5.072 4.120 -0.001 0.000 0.308 817 V C -0.562 175.529 176.094 -0.005 0.000 1.062 817 V CA -0.661 61.642 62.300 0.006 0.000 0.901 817 V CB 1.152 32.972 31.823 -0.004 0.000 1.003 817 V HN 1.090 nan 8.190 nan 0.000 0.425 818 A N 2.767 125.580 122.820 -0.010 0.000 2.549 818 A HA 0.954 5.273 4.320 -0.001 0.000 0.297 818 A C -0.243 177.322 177.584 -0.031 0.000 1.061 818 A CA -0.192 51.836 52.037 -0.015 0.000 0.690 818 A CB 1.644 20.643 19.000 -0.001 0.000 1.287 818 A HN 1.662 nan 8.150 nan 0.000 0.402 819 A N 1.169 123.966 122.820 -0.037 0.000 2.445 819 A HA 0.641 4.960 4.320 -0.001 0.000 0.242 819 A C -0.108 177.463 177.584 -0.021 0.000 1.075 819 A CA 0.146 52.156 52.037 -0.046 0.000 0.777 819 A CB -0.106 18.870 19.000 -0.041 0.000 1.013 819 A HN 0.898 nan 8.150 nan 0.000 0.493 820 L N 1.237 122.450 121.223 -0.018 0.000 2.286 820 L HA 0.439 4.779 4.340 -0.001 0.000 0.265 820 L C -2.326 174.543 176.870 -0.001 0.000 1.012 820 L CA -2.450 52.391 54.840 0.001 0.000 0.818 820 L CB 1.673 43.743 42.059 0.019 0.000 1.337 820 L HN 0.371 nan 8.230 nan 0.000 0.438 821 P HA -0.018 nan 4.420 nan 0.000 0.258 821 P C -0.955 176.353 177.300 0.014 0.000 1.187 821 P CA 0.273 63.378 63.100 0.008 0.000 0.767 821 P CB 0.020 31.727 31.700 0.012 0.000 0.770 822 D N 2.111 122.517 120.400 0.010 0.000 2.704 822 D HA -0.167 4.472 4.640 -0.001 0.000 0.232 822 D C 0.740 177.057 176.300 0.027 0.000 1.183 822 D CA 1.835 55.845 54.000 0.017 0.000 0.647 822 D CB -1.053 39.764 40.800 0.027 0.000 1.013 822 D HN 0.634 nan 8.370 nan 0.000 0.415 823 G N -0.995 107.808 108.800 0.004 0.000 2.427 823 G HA2 0.559 4.519 3.960 -0.001 0.000 0.306 823 G HA3 0.559 4.519 3.960 -0.001 0.000 0.306 823 G C -1.583 173.282 174.900 -0.057 0.000 1.280 823 G CA -0.515 44.589 45.100 0.007 0.000 0.837 823 G HN 0.278 nan 8.290 nan 0.000 0.482 824 I N -0.161 120.387 120.570 -0.036 0.000 2.692 824 I HA 0.687 4.857 4.170 -0.001 0.000 0.293 824 I C -0.775 175.384 176.117 0.071 0.000 1.200 824 I CA -0.965 60.278 61.300 -0.095 0.000 1.036 824 I CB 2.122 39.880 38.000 -0.404 0.000 1.258 824 I HN 0.601 nan 8.210 nan 0.000 0.421 825 R N 6.734 127.264 120.500 0.051 0.000 2.387 825 R HA 0.757 5.096 4.340 -0.001 0.000 0.314 825 R C -2.052 174.303 176.300 0.090 0.000 0.958 825 R CA -0.504 55.655 56.100 0.098 0.000 0.846 825 R CB 1.817 32.155 30.300 0.063 0.000 1.147 825 R HN 0.478 nan 8.270 nan 0.000 0.447 826 V N 5.394 125.393 119.914 0.142 0.000 2.487 826 V HA 0.502 4.622 4.120 -0.001 0.000 0.298 826 V C -0.235 175.921 176.094 0.103 0.000 1.028 826 V CA -0.810 61.561 62.300 0.119 0.000 0.860 826 V CB 1.749 33.675 31.823 0.173 0.000 0.991 826 V HN 0.755 nan 8.190 nan 0.000 0.427 827 R N 2.712 123.255 120.500 0.072 0.000 2.445 827 R HA 0.765 5.104 4.340 -0.001 0.000 0.308 827 R C -0.379 175.952 176.300 0.052 0.000 0.961 827 R CA -0.455 55.685 56.100 0.066 0.000 0.862 827 R CB 2.229 32.561 30.300 0.053 0.000 1.144 827 R HN 0.881 nan 8.270 nan 0.000 0.447 828 T N -0.380 114.214 114.554 0.067 0.000 2.901 828 T HA 0.632 4.981 4.350 -0.001 0.000 0.293 828 T C -0.763 173.966 174.700 0.048 0.000 1.084 828 T CA -1.122 60.987 62.100 0.015 0.000 1.008 828 T CB 2.328 71.186 68.868 -0.016 0.000 1.170 828 T HN 0.477 nan 8.240 nan 0.000 0.509 829 R N 0.321 120.792 120.500 -0.049 0.000 2.532 829 R HA 0.611 4.950 4.340 -0.001 0.000 0.297 829 R C -2.167 174.089 176.300 -0.073 0.000 0.984 829 R CA -0.713 55.410 56.100 0.038 0.000 0.884 829 R CB 0.965 31.289 30.300 0.039 0.000 1.182 829 R HN 0.798 nan 8.270 nan 0.000 0.442 830 Y N 2.333 122.669 120.300 0.060 0.000 2.409 830 Y HA 0.831 5.380 4.550 -0.001 0.000 0.339 830 Y C 0.025 175.994 175.900 0.115 0.000 1.033 830 Y CA -0.425 57.708 58.100 0.054 0.000 1.094 830 Y CB 2.600 41.068 38.460 0.012 0.000 1.210 830 Y HN 0.806 nan 8.280 nan 0.000 0.456 831 A N 1.312 124.276 122.820 0.241 0.000 2.594 831 A HA 0.764 5.084 4.320 -0.001 0.000 0.296 831 A C -1.551 176.122 177.584 0.149 0.000 1.056 831 A CA -0.499 51.670 52.037 0.220 0.000 0.693 831 A CB 0.293 19.381 19.000 0.146 0.000 1.278 831 A HN 0.913 nan 8.150 nan 0.000 0.408 832 A N 0.846 123.758 122.820 0.153 0.000 2.322 832 A HA 0.741 5.060 4.320 -0.001 0.000 0.269 832 A C 0.858 178.469 177.584 0.046 0.000 1.094 832 A CA 0.253 52.345 52.037 0.091 0.000 0.807 832 A CB 0.111 19.176 19.000 0.109 0.000 1.047 832 A HN 2.553 nan 8.150 nan 0.000 0.487 833 A N 1.129 123.962 122.820 0.021 0.000 2.561 833 A HA 0.377 4.696 4.320 -0.001 0.000 0.234 833 A C 0.804 178.389 177.584 0.001 0.000 1.055 833 A CA 1.115 53.154 52.037 0.004 0.000 0.756 833 A CB -0.412 18.586 19.000 -0.004 0.000 0.986 833 A HN 1.544 nan 8.150 nan 0.000 0.505 834 D N -0.690 119.703 120.400 -0.012 0.000 3.076 834 D HA -0.155 4.485 4.640 -0.001 0.000 0.218 834 D C 0.122 176.401 176.300 -0.036 0.000 1.156 834 D CA 1.744 55.731 54.000 -0.021 0.000 0.921 834 D CB -1.186 39.607 40.800 -0.012 0.000 1.113 834 D HN 0.819 nan 8.370 nan 0.000 0.418 835 S N -1.811 113.864 115.700 -0.042 0.000 2.537 835 S HA 0.609 5.079 4.470 -0.001 0.000 0.301 835 S C 1.295 175.787 174.600 -0.180 0.000 1.092 835 S CA 0.286 58.429 58.200 -0.095 0.000 1.048 835 S CB 1.617 64.799 63.200 -0.029 0.000 1.053 835 S HN 0.279 nan 8.310 nan 0.000 0.501 836 T N 0.535 114.862 114.554 -0.377 0.000 3.107 836 T HA 0.258 4.607 4.350 -0.001 0.000 0.249 836 T C 0.452 174.865 174.700 -0.478 0.000 1.096 836 T CA 0.157 62.014 62.100 -0.405 0.000 1.012 836 T CB -0.369 68.237 68.868 -0.438 0.000 0.977 836 T HN 0.663 nan 8.240 nan 0.000 0.527 837 H N 1.990 120.893 119.070 -0.279 0.000 2.508 837 H HA 0.748 5.303 4.556 -0.001 0.000 0.344 837 H C 0.238 175.513 175.328 -0.087 0.000 1.192 837 H CA -0.375 55.404 56.048 -0.449 0.000 1.290 837 H CB 1.706 30.658 29.762 -1.350 0.000 1.571 837 H HN 0.451 nan 8.280 nan 0.000 0.555 838 S N -0.255 115.661 115.700 0.360 0.000 2.615 838 S HA 0.542 5.011 4.470 -0.001 0.000 0.269 838 S C -1.391 173.597 174.600 0.648 0.000 1.161 838 S CA -0.891 57.600 58.200 0.486 0.000 0.817 838 S CB 1.410 64.764 63.200 0.256 0.000 1.131 838 S HN 0.288 nan 8.310 nan 0.000 0.467 839 V N 0.989 121.169 119.914 0.443 0.000 2.577 839 V HA 0.820 4.939 4.120 -0.001 0.000 0.303 839 V C 0.274 176.527 176.094 0.265 0.000 1.042 839 V CA -0.340 62.149 62.300 0.314 0.000 0.872 839 V CB 1.243 33.139 31.823 0.122 0.000 0.998 839 V HN 1.337 nan 8.190 nan 0.000 0.423 840 A N 4.511 127.457 122.820 0.210 0.000 2.327 840 A HA 0.863 5.183 4.320 -0.001 0.000 0.283 840 A C -0.582 177.093 177.584 0.151 0.000 1.127 840 A CA -0.402 51.740 52.037 0.174 0.000 0.810 840 A CB 1.108 20.187 19.000 0.132 0.000 1.066 840 A HN 0.777 nan 8.150 nan 0.000 0.492 841 V N 1.869 121.881 119.914 0.163 0.000 2.760 841 V HA 0.505 4.625 4.120 -0.001 0.000 0.309 841 V C -0.351 175.807 176.094 0.105 0.000 1.077 841 V CA -0.544 61.831 62.300 0.126 0.000 0.910 841 V CB 1.788 33.712 31.823 0.168 0.000 1.008 841 V HN 1.023 nan 8.190 nan 0.000 0.424 842 E N 2.820 123.062 120.200 0.070 0.000 2.234 842 E HA 0.551 4.900 4.350 -0.001 0.000 0.266 842 E C -1.162 175.462 176.600 0.039 0.000 0.877 842 E CA -0.581 55.857 56.400 0.063 0.000 0.758 842 E CB 1.892 31.624 29.700 0.053 0.000 1.170 842 E HN 0.773 nan 8.360 nan 0.000 0.415 843 E N 3.244 123.480 120.200 0.061 0.000 2.158 843 E HA 0.343 4.693 4.350 -0.001 0.000 0.271 843 E C -0.907 175.725 176.600 0.054 0.000 0.911 843 E CA -0.736 55.671 56.400 0.012 0.000 0.767 843 E CB 1.376 31.142 29.700 0.111 0.000 1.120 843 E HN 0.315 nan 8.360 nan 0.000 0.405 844 N N 3.529 122.209 118.700 -0.033 0.000 2.564 844 N HA 0.165 4.904 4.740 -0.001 0.000 0.248 844 N C -1.424 174.101 175.510 0.025 0.000 0.986 844 N CA -0.437 52.640 53.050 0.044 0.000 0.921 844 N CB 0.757 39.262 38.487 0.030 0.000 1.136 844 N HN 0.326 nan 8.380 nan 0.000 0.509 845 W N 1.785 123.110 121.300 0.041 0.000 2.331 845 W HA 0.389 5.049 4.660 -0.001 0.000 0.306 845 W C 0.405 176.938 176.519 0.024 0.000 1.162 845 W CA -0.453 56.930 57.345 0.063 0.000 1.232 845 W CB 0.972 30.479 29.460 0.079 0.000 1.235 845 W HN 0.139 nan 8.180 nan 0.000 0.479 846 Q N 2.735 122.679 119.800 0.240 0.000 2.315 846 Q HA 0.427 4.766 4.340 -0.001 0.000 0.273 846 Q C -0.971 175.106 176.000 0.129 0.000 1.053 846 Q CA -1.075 54.814 55.803 0.143 0.000 0.817 846 Q CB 2.543 31.335 28.738 0.089 0.000 1.326 846 Q HN 0.367 nan 8.270 nan 0.000 0.423 847 L N 1.972 123.256 121.223 0.101 0.000 2.319 847 L HA 0.344 4.684 4.340 -0.001 0.000 0.280 847 L C -0.482 176.421 176.870 0.055 0.000 1.099 847 L CA -0.017 54.871 54.840 0.080 0.000 0.828 847 L CB 0.580 42.679 42.059 0.067 0.000 1.150 847 L HN 0.589 nan 8.230 nan 0.000 0.442 848 D N 2.598 123.026 120.400 0.046 0.000 2.473 848 D HA 0.390 5.030 4.640 -0.001 0.000 0.253 848 D C 0.538 176.852 176.300 0.023 0.000 1.233 848 D CA -0.048 53.971 54.000 0.032 0.000 0.908 848 D CB 1.380 42.198 40.800 0.030 0.000 1.170 848 D HN 0.670 nan 8.370 nan 0.000 0.558 849 G N 2.818 111.629 108.800 0.018 0.000 2.366 849 G HA2 0.017 3.976 3.960 -0.001 0.000 0.299 849 G HA3 0.017 3.976 3.960 -0.001 0.000 0.299 849 G C 1.166 176.072 174.900 0.010 0.000 1.020 849 G CA 0.803 45.910 45.100 0.011 0.000 1.026 849 G HN 1.621 nan 8.290 nan 0.000 0.512 850 G N -1.332 107.477 108.800 0.015 0.000 2.320 850 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.242 850 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.242 850 G C 0.328 175.239 174.900 0.017 0.000 1.033 850 G CA 0.897 46.005 45.100 0.013 0.000 0.620 850 G HN 1.012 nan 8.290 nan 0.000 0.517 851 E N 0.229 120.440 120.200 0.017 0.000 2.301 851 E HA 0.511 4.860 4.350 -0.001 0.000 0.275 851 E C -0.375 176.253 176.600 0.047 0.000 1.030 851 E CA -0.835 55.576 56.400 0.019 0.000 0.852 851 E CB 1.846 31.550 29.700 0.007 0.000 1.060 851 E HN 0.226 nan 8.360 nan 0.000 0.401 852 L N 3.897 125.158 121.223 0.063 0.000 2.278 852 L HA 0.193 4.532 4.340 -0.001 0.000 0.287 852 L C -1.087 175.844 176.870 0.102 0.000 1.072 852 L CA -0.255 54.660 54.840 0.125 0.000 0.819 852 L CB 0.146 42.314 42.059 0.181 0.000 1.176 852 L HN 0.573 nan 8.230 nan 0.000 0.435 853 C N 5.508 124.868 119.300 0.100 0.000 2.341 853 C HA 0.665 5.124 4.460 -0.001 0.000 0.338 853 C C -0.187 174.811 174.990 0.014 0.000 1.257 853 C CA -0.859 58.187 59.018 0.045 0.000 1.883 853 C CB 0.800 28.562 27.740 0.036 0.000 2.334 853 C HN 0.752 nan 8.230 nan 0.000 0.524 854 L N 4.120 125.285 121.223 -0.097 0.000 2.404 854 L HA 0.569 4.908 4.340 -0.001 0.000 0.272 854 L C -0.244 176.512 176.870 -0.191 0.000 0.980 854 L CA -0.284 54.380 54.840 -0.294 0.000 0.836 854 L CB 0.628 42.333 42.059 -0.590 0.000 1.238 854 L HN 0.753 nan 8.230 nan 0.000 0.408 855 R N 5.632 126.037 120.500 -0.158 0.000 2.294 855 R HA 0.701 5.040 4.340 -0.001 0.000 0.319 855 R C -1.389 174.849 176.300 -0.104 0.000 0.984 855 R CA -0.483 55.563 56.100 -0.089 0.000 0.861 855 R CB 0.822 31.099 30.300 -0.039 0.000 1.104 855 R HN 0.775 nan 8.270 nan 0.000 0.451 856 I N 4.328 124.854 120.570 -0.073 0.000 2.382 856 I HA 0.234 4.404 4.170 -0.001 0.000 0.286 856 I C -0.737 175.367 176.117 -0.021 0.000 1.002 856 I CA -0.725 60.539 61.300 -0.060 0.000 1.135 856 I CB 1.881 39.838 38.000 -0.072 0.000 1.288 856 I HN 0.462 nan 8.210 nan 0.000 0.448 857 D N 8.130 128.527 120.400 -0.004 0.000 2.280 857 D HA 0.468 5.107 4.640 -0.001 0.000 0.236 857 D C -0.284 176.029 176.300 0.022 0.000 1.082 857 D CA -0.105 53.903 54.000 0.014 0.000 0.834 857 D CB 2.530 43.344 40.800 0.023 0.000 1.100 857 D HN 0.313 nan 8.370 nan 0.000 0.486 858 I N 1.841 122.424 120.570 0.022 0.000 2.355 858 I HA 0.148 4.317 4.170 -0.001 0.000 0.288 858 I C 0.150 176.302 176.117 0.058 0.000 0.999 858 I CA -0.408 60.907 61.300 0.025 0.000 1.163 858 I CB 1.455 39.449 38.000 -0.009 0.000 1.316 858 I HN 0.214 nan 8.210 nan 0.000 0.454 859 T N 3.468 118.073 114.554 0.084 0.000 3.064 859 T HA 0.467 4.816 4.350 -0.001 0.000 0.367 859 T C -2.632 172.162 174.700 0.158 0.000 1.202 859 T CA -2.169 59.994 62.100 0.104 0.000 1.133 859 T CB 0.874 69.795 68.868 0.088 0.000 1.074 859 T HN 0.103 nan 8.240 nan 0.000 0.519 860 P HA 0.215 nan 4.420 nan 0.000 0.269 860 P C 0.588 178.095 177.300 0.344 0.000 1.215 860 P CA -0.219 63.071 63.100 0.317 0.000 0.780 860 P CB 0.576 32.447 31.700 0.284 0.000 0.898 861 S N 1.339 117.327 115.700 0.481 0.000 2.606 861 S HA 0.477 4.946 4.470 -0.001 0.000 0.257 861 S C 0.348 175.143 174.600 0.326 0.000 1.327 861 S CA -0.540 57.863 58.200 0.338 0.000 0.984 861 S CB 0.046 63.413 63.200 0.279 0.000 0.941 861 S HN 0.578 nan 8.310 nan 0.000 0.576 862 A N -0.187 122.745 122.820 0.186 0.000 2.272 862 A HA 0.686 5.006 4.320 -0.001 0.000 0.275 862 A C 1.390 179.038 177.584 0.105 0.000 1.096 862 A CA -0.087 52.028 52.037 0.130 0.000 0.822 862 A CB -0.697 18.352 19.000 0.081 0.000 1.088 862 A HN 2.318 nan 8.150 nan 0.000 0.495 863 G N -1.777 107.049 108.800 0.044 0.000 2.313 863 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.215 863 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.215 863 G C 0.028 174.728 174.900 -0.333 0.000 1.023 863 G CA 0.046 45.117 45.100 -0.048 0.000 0.626 863 G HN 0.771 nan 8.290 nan 0.000 0.503 864 W N 1.639 122.779 121.300 -0.266 0.000 2.381 864 W HA 0.583 5.243 4.660 -0.001 0.000 0.321 864 W C 0.741 177.116 176.519 -0.240 0.000 1.407 864 W CA 0.459 57.623 57.345 -0.302 0.000 1.274 864 W CB 0.489 29.854 29.460 -0.158 0.000 1.310 864 W HN 0.267 nan 8.180 nan 0.000 0.551 865 N N 5.526 124.254 118.700 0.045 0.000 2.703 865 N HA 0.311 5.050 4.740 -0.001 0.000 0.283 865 N C -1.639 173.902 175.510 0.051 0.000 1.851 865 N CA -0.362 52.693 53.050 0.009 0.000 0.826 865 N CB -0.192 38.288 38.487 -0.012 0.000 1.239 865 N HN 0.432 nan 8.380 nan 0.000 0.495 866 L N -2.383 118.879 121.223 0.065 0.000 2.671 866 L HA 0.710 5.049 4.340 -0.001 0.000 0.259 866 L C -1.189 175.719 176.870 0.064 0.000 1.021 866 L CA -1.137 53.776 54.840 0.121 0.000 0.871 866 L CB 1.003 43.229 42.059 0.279 0.000 1.472 866 L HN -0.287 nan 8.230 nan 0.000 0.410 867 V N 1.061 121.052 119.914 0.128 0.000 2.740 867 V HA 0.122 4.241 4.120 -0.001 0.000 0.303 867 V C -0.657 175.648 176.094 0.352 0.000 1.054 867 V CA 0.552 62.909 62.300 0.095 0.000 1.106 867 V CB 0.774 32.588 31.823 -0.016 0.000 0.957 867 V HN 0.536 nan 8.190 nan 0.000 0.486 868 W N 5.690 126.925 121.300 -0.108 0.000 2.551 868 W HA 0.446 5.105 4.660 -0.001 0.000 0.330 868 W C -1.652 174.589 176.519 -0.463 0.000 1.063 868 W CA -2.437 54.720 57.345 -0.313 0.000 1.222 868 W CB 0.901 30.178 29.460 -0.305 0.000 1.349 868 W HN 0.420 nan 8.180 nan 0.000 0.536 869 P HA -0.105 nan 4.420 nan 0.000 0.217 869 P C -0.426 176.676 177.300 -0.330 0.000 1.150 869 P CA 1.853 64.487 63.100 -0.775 0.000 0.832 869 P CB 0.425 31.310 31.700 -1.358 0.000 0.787 870 R N -2.530 117.782 120.500 -0.314 0.000 2.728 870 R HA 0.625 4.964 4.340 -0.001 0.000 0.274 870 R C -1.646 174.540 176.300 -0.191 0.000 1.032 870 R CA -0.778 55.200 56.100 -0.204 0.000 0.866 870 R CB 0.316 30.466 30.300 -0.250 0.000 1.263 870 R HN -0.245 nan 8.270 nan 0.000 0.475 871 I N 1.071 121.578 120.570 -0.104 0.000 2.439 871 I HA 0.740 4.910 4.170 -0.001 0.000 0.283 871 I C -0.302 175.769 176.117 -0.077 0.000 1.023 871 I CA -0.414 60.818 61.300 -0.113 0.000 1.100 871 I CB 2.015 40.021 38.000 0.010 0.000 1.238 871 I HN 0.951 nan 8.210 nan 0.000 0.445 872 G N 4.661 113.399 108.800 -0.104 0.000 2.606 872 G HA2 0.688 4.648 3.960 -0.001 0.000 0.300 872 G HA3 0.688 4.648 3.960 -0.001 0.000 0.300 872 G C -1.491 173.370 174.900 -0.064 0.000 1.360 872 G CA -0.529 44.558 45.100 -0.022 0.000 0.783 872 G HN 0.457 nan 8.290 nan 0.000 0.484 873 V N -2.252 117.649 119.914 -0.021 0.000 2.823 873 V HA 0.902 5.022 4.120 -0.001 0.000 0.312 873 V C -0.371 175.627 176.094 -0.160 0.000 1.072 873 V CA -1.173 61.033 62.300 -0.158 0.000 0.937 873 V CB 1.845 33.506 31.823 -0.271 0.000 1.013 873 V HN 0.968 nan 8.190 nan 0.000 0.430 874 R N 2.369 122.672 120.500 -0.328 0.000 2.589 874 R HA 0.637 4.976 4.340 -0.001 0.000 0.293 874 R C -2.015 174.051 176.300 -0.390 0.000 0.963 874 R CA -0.578 55.277 56.100 -0.408 0.000 0.905 874 R CB 1.712 31.678 30.300 -0.556 0.000 1.144 874 R HN 0.846 nan 8.270 nan 0.000 0.459 875 W N 2.253 123.495 121.300 -0.097 0.000 2.702 875 W HA 0.317 4.977 4.660 -0.001 0.000 0.331 875 W C -0.960 175.558 176.519 -0.002 0.000 1.049 875 W CA -0.629 56.713 57.345 -0.005 0.000 1.230 875 W CB 1.743 31.224 29.460 0.035 0.000 1.408 875 W HN 0.396 nan 8.180 nan 0.000 0.492 876 D N 3.553 124.055 120.400 0.170 0.000 2.329 876 D HA 0.522 5.162 4.640 -0.001 0.000 0.232 876 D C -0.323 175.953 176.300 -0.039 0.000 1.088 876 D CA -0.163 53.787 54.000 -0.083 0.000 0.835 876 D CB 0.993 41.637 40.800 -0.259 0.000 1.078 876 D HN 0.132 nan 8.370 nan 0.000 0.495 877 L N 2.389 123.574 121.223 -0.064 0.000 2.279 877 L HA 0.579 4.918 4.340 -0.001 0.000 0.262 877 L C -2.324 174.541 176.870 -0.008 0.000 1.019 877 L CA -2.473 52.381 54.840 0.023 0.000 0.823 877 L CB 1.538 43.630 42.059 0.056 0.000 1.358 877 L HN 0.032 nan 8.230 nan 0.000 0.432 878 P HA 0.014 nan 4.420 nan 0.000 0.269 878 P C 0.551 177.747 177.300 -0.173 0.000 1.215 878 P CA -0.163 62.841 63.100 -0.160 0.000 0.780 878 P CB 0.477 32.027 31.700 -0.250 0.000 0.898 879 T N -2.217 112.232 114.554 -0.176 0.000 2.962 879 T HA -0.170 4.179 4.350 -0.001 0.000 0.270 879 T C 0.971 175.600 174.700 -0.118 0.000 1.088 879 T CA 1.276 63.288 62.100 -0.146 0.000 1.127 879 T CB -0.848 67.935 68.868 -0.142 0.000 0.883 879 T HN 0.442 nan 8.240 nan 0.000 0.493 880 D N 1.275 121.590 120.400 -0.141 0.000 2.363 880 D HA -0.001 4.639 4.640 -0.001 0.000 0.226 880 D C 0.382 176.608 176.300 -0.122 0.000 1.020 880 D CA -0.168 53.758 54.000 -0.123 0.000 0.892 880 D CB -0.763 39.959 40.800 -0.131 0.000 0.900 880 D HN 0.323 nan 8.370 nan 0.000 0.531 881 V N 2.511 122.340 119.914 -0.141 0.000 2.403 881 V HA 0.111 4.230 4.120 -0.001 0.000 0.265 881 V C 0.350 176.450 176.094 0.010 0.000 1.034 881 V CA 0.346 62.607 62.300 -0.065 0.000 1.036 881 V CB 0.611 32.404 31.823 -0.049 0.000 1.032 881 V HN 0.249 nan 8.190 nan 0.000 0.478 882 D N 2.448 122.873 120.400 0.042 0.000 2.594 882 D HA 0.392 5.032 4.640 -0.001 0.000 0.256 882 D C 0.229 176.583 176.300 0.091 0.000 1.393 882 D CA 0.324 54.357 54.000 0.054 0.000 0.797 882 D CB 0.796 41.613 40.800 0.028 0.000 1.110 882 D HN 0.647 nan 8.370 nan 0.000 0.495 883 G N -0.953 107.921 108.800 0.123 0.000 2.466 883 G HA2 0.655 4.614 3.960 -0.001 0.000 0.291 883 G HA3 0.655 4.614 3.960 -0.001 0.000 0.291 883 G C -1.969 173.046 174.900 0.192 0.000 1.460 883 G CA -0.318 44.877 45.100 0.159 0.000 0.791 883 G HN 0.567 nan 8.290 nan 0.000 0.505 884 A N -1.066 121.909 122.820 0.258 0.000 2.549 884 A HA 1.045 5.365 4.320 -0.001 0.000 0.297 884 A C -0.293 177.548 177.584 0.427 0.000 1.061 884 A CA 0.173 52.380 52.037 0.283 0.000 0.690 884 A CB 1.539 20.686 19.000 0.245 0.000 1.287 884 A HN 2.454 nan 8.150 nan 0.000 0.402 885 A N 0.467 123.518 122.820 0.385 0.000 2.355 885 A HA 0.946 5.266 4.320 -0.001 0.000 0.324 885 A C -0.889 176.930 177.584 0.391 0.000 1.117 885 A CA -0.290 51.974 52.037 0.379 0.000 0.785 885 A CB 0.637 19.820 19.000 0.305 0.000 1.254 885 A HN 2.065 nan 8.150 nan 0.000 0.453 886 W N 0.088 121.271 121.300 -0.195 0.000 3.137 886 W HA 0.676 5.335 4.660 -0.001 0.000 0.324 886 W C -2.119 173.929 176.519 -0.784 0.000 1.253 886 W CA -1.159 55.820 57.345 -0.610 0.000 1.183 886 W CB 0.802 30.173 29.460 -0.149 0.000 1.424 886 W HN 0.634 nan 8.180 nan 0.000 0.566 887 F N 2.899 122.100 119.950 -1.247 0.000 2.402 887 F HA 0.819 5.345 4.527 -0.001 0.000 0.355 887 F C 0.215 175.809 175.800 -0.344 0.000 1.123 887 F CA 0.323 57.809 58.000 -0.857 0.000 1.021 887 F CB 1.213 39.692 39.000 -0.869 0.000 1.160 887 F HN 0.995 nan 8.300 nan 0.000 0.451 888 G N 2.967 111.350 108.800 -0.695 0.000 2.344 888 G HA2 0.466 4.425 3.960 -0.001 0.000 0.282 888 G HA3 0.466 4.425 3.960 -0.001 0.000 0.282 888 G C -1.735 173.060 174.900 -0.174 0.000 1.281 888 G CA -0.348 44.555 45.100 -0.329 0.000 0.877 888 G HN 0.902 nan 8.290 nan 0.000 0.494 889 A N -0.739 122.044 122.820 -0.063 0.000 2.440 889 A HA 0.843 5.163 4.320 -0.001 0.000 0.251 889 A C 0.885 178.460 177.584 -0.015 0.000 1.089 889 A CA 1.418 53.400 52.037 -0.092 0.000 0.779 889 A CB 0.369 19.280 19.000 -0.149 0.000 1.022 889 A HN 2.497 nan 8.150 nan 0.000 0.492 890 G N 0.832 109.464 108.800 -0.279 0.000 2.427 890 G HA2 0.530 4.490 3.960 -0.001 0.000 0.306 890 G HA3 0.530 4.490 3.960 -0.001 0.000 0.306 890 G C -2.753 171.790 174.900 -0.595 0.000 1.280 890 G CA 0.183 44.907 45.100 -0.627 0.000 0.837 890 G HN 0.338 nan 8.290 nan 0.000 0.482 891 P HA 0.139 nan 4.420 nan 0.000 0.240 891 P C 0.599 177.802 177.300 -0.160 0.000 1.190 891 P CA 0.285 63.046 63.100 -0.565 0.000 0.781 891 P CB 0.581 32.118 31.700 -0.271 0.000 0.931 892 R N 0.879 121.271 120.500 -0.180 0.000 2.608 892 R HA 0.272 4.611 4.340 -0.001 0.000 0.255 892 R C 0.754 176.971 176.300 -0.138 0.000 1.086 892 R CA -0.780 55.245 56.100 -0.125 0.000 1.125 892 R CB 0.437 30.654 30.300 -0.139 0.000 1.193 892 R HN 0.115 nan 8.270 nan 0.000 0.553 893 E N 0.576 120.707 120.200 -0.116 0.000 2.437 893 E HA 0.103 4.453 4.350 -0.001 0.000 0.263 893 E C -0.958 175.570 176.600 -0.118 0.000 1.030 893 E CA -0.195 56.112 56.400 -0.156 0.000 0.934 893 E CB 0.668 30.387 29.700 0.031 0.000 0.943 893 E HN 0.555 nan 8.360 nan 0.000 0.444 894 S N 1.557 117.076 115.700 -0.302 0.000 2.556 894 S HA 0.573 5.043 4.470 -0.001 0.000 0.271 894 S C -1.428 172.930 174.600 -0.403 0.000 1.135 894 S CA -0.943 57.147 58.200 -0.183 0.000 0.858 894 S CB 0.780 63.883 63.200 -0.160 0.000 1.114 894 S HN 0.550 nan 8.310 nan 0.000 0.468 895 Y N -0.060 120.243 120.300 0.005 0.000 2.609 895 Y HA 0.514 5.063 4.550 -0.001 0.000 0.342 895 Y C -2.135 173.740 175.900 -0.042 0.000 1.058 895 Y CA -2.235 55.867 58.100 0.004 0.000 1.055 895 Y CB 1.450 39.881 38.460 -0.048 0.000 1.292 895 Y HN 0.387 nan 8.280 nan 0.000 0.476 896 P HA -0.167 nan 4.420 nan 0.000 0.216 896 P C 0.379 177.535 177.300 -0.239 0.000 1.150 896 P CA 2.072 65.219 63.100 0.078 0.000 0.843 896 P CB 0.205 32.051 31.700 0.244 0.000 0.787 897 D N -2.379 117.820 120.400 -0.334 0.000 2.342 897 D HA 0.075 4.714 4.640 -0.001 0.000 0.221 897 D C 0.083 176.210 176.300 -0.288 0.000 1.101 897 D CA 0.079 53.657 54.000 -0.703 0.000 0.837 897 D CB -0.364 40.140 40.800 -0.493 0.000 0.938 897 D HN -0.043 nan 8.370 nan 0.000 0.508 898 S N 0.202 115.831 115.700 -0.117 0.000 2.317 898 S HA 0.287 4.757 4.470 -0.001 0.000 0.144 898 S C 0.228 174.830 174.600 0.002 0.000 1.660 898 S CA -0.587 57.617 58.200 0.006 0.000 1.273 898 S CB -0.145 63.098 63.200 0.073 0.000 1.330 898 S HN 0.038 nan 8.310 nan 0.000 0.395 899 M N 1.840 121.395 119.600 -0.074 0.000 2.313 899 M HA 0.259 4.738 4.480 -0.001 0.000 0.273 899 M C 1.193 177.417 176.300 -0.126 0.000 1.049 899 M CA 0.166 55.394 55.300 -0.120 0.000 1.004 899 M CB -0.722 31.775 32.600 -0.172 0.000 1.461 899 M HN 0.592 nan 8.290 nan 0.000 0.514 900 H N 0.299 119.367 119.070 -0.004 0.000 2.423 900 H HA 0.122 4.677 4.556 -0.001 0.000 0.297 900 H C 1.291 176.630 175.328 0.019 0.000 1.075 900 H CA 1.453 57.508 56.048 0.011 0.000 1.342 900 H CB 0.377 30.147 29.762 0.013 0.000 1.395 900 H HN 0.318 nan 8.280 nan 0.000 0.530 901 A N 1.626 124.526 122.820 0.133 0.000 2.476 901 A HA 0.109 4.428 4.320 -0.001 0.000 0.263 901 A C 0.839 178.432 177.584 0.014 0.000 1.342 901 A CA -0.067 52.029 52.037 0.099 0.000 0.926 901 A CB -0.637 18.459 19.000 0.160 0.000 1.019 901 A HN 0.339 nan 8.150 nan 0.000 0.515 902 T N -2.461 112.079 114.554 -0.024 0.000 2.945 902 T HA 0.770 5.120 4.350 -0.001 0.000 0.286 902 T C -0.309 174.343 174.700 -0.080 0.000 1.025 902 T CA -0.761 61.289 62.100 -0.083 0.000 1.039 902 T CB 1.453 70.252 68.868 -0.114 0.000 1.068 902 T HN 0.062 nan 8.240 nan 0.000 0.497 903 M N 1.898 121.438 119.600 -0.099 0.000 2.518 903 M HA 0.380 4.860 4.480 -0.001 0.000 0.300 903 M C -0.927 175.245 176.300 -0.214 0.000 1.175 903 M CA -0.966 54.257 55.300 -0.127 0.000 0.890 903 M CB 2.420 34.984 32.600 -0.060 0.000 1.710 903 M HN 0.469 nan 8.290 nan 0.000 0.453 904 V N 2.531 122.129 119.914 -0.526 0.000 2.405 904 V HA 0.663 4.782 4.120 -0.001 0.000 0.264 904 V C 0.340 175.932 176.094 -0.837 0.000 1.048 904 V CA 0.080 61.853 62.300 -0.879 0.000 0.966 904 V CB 0.105 30.984 31.823 -1.573 0.000 1.015 904 V HN 1.002 nan 8.190 nan 0.000 0.477 905 A N 5.780 128.105 122.820 -0.824 0.000 2.511 905 A HA 0.710 5.029 4.320 -0.001 0.000 0.293 905 A C -0.669 176.427 177.584 -0.815 0.000 1.098 905 A CA -1.027 50.616 52.037 -0.657 0.000 0.643 905 A CB 1.163 19.816 19.000 -0.579 0.000 1.302 905 A HN 0.625 nan 8.150 nan 0.000 0.446 906 R N 1.070 121.316 120.500 -0.423 0.000 2.347 906 R HA 0.523 4.863 4.340 -0.001 0.000 0.304 906 R C -0.810 174.961 176.300 -0.882 0.000 1.072 906 R CA -0.070 55.747 56.100 -0.470 0.000 0.980 906 R CB 0.319 30.552 30.300 -0.112 0.000 0.986 906 R HN 0.697 nan 8.270 nan 0.000 0.448 907 H N 0.061 118.656 119.070 -0.793 0.000 2.894 907 H HA 0.727 5.283 4.556 -0.001 0.000 0.368 907 H C -0.868 173.972 175.328 -0.813 0.000 1.181 907 H CA -0.982 54.484 56.048 -0.970 0.000 1.146 907 H CB 2.382 31.109 29.762 -1.725 0.000 1.839 907 H HN 0.697 nan 8.280 nan 0.000 0.557 908 A N 0.475 123.108 122.820 -0.311 0.000 2.566 908 A HA 0.746 5.066 4.320 -0.001 0.000 0.297 908 A C -1.516 176.173 177.584 0.176 0.000 1.059 908 A CA -0.003 52.049 52.037 0.025 0.000 0.691 908 A CB 1.719 20.749 19.000 0.049 0.000 1.282 908 A HN 0.872 nan 8.150 nan 0.000 0.401 909 A N 0.826 123.852 122.820 0.342 0.000 2.574 909 A HA 0.847 5.166 4.320 -0.001 0.000 0.297 909 A C 0.058 177.772 177.584 0.218 0.000 1.062 909 A CA 0.184 52.379 52.037 0.263 0.000 0.686 909 A CB 0.915 20.107 19.000 0.319 0.000 1.285 909 A HN 2.309 nan 8.150 nan 0.000 0.403 910 S N 0.851 116.639 115.700 0.146 0.000 2.624 910 S HA 0.450 4.920 4.470 -0.001 0.000 0.263 910 S C 1.201 175.871 174.600 0.117 0.000 1.287 910 S CA -0.265 58.007 58.200 0.121 0.000 0.990 910 S CB 0.243 63.495 63.200 0.087 0.000 0.950 910 S HN 0.743 nan 8.310 nan 0.000 0.561 911 L N 0.690 121.975 121.223 0.103 0.000 2.013 911 L HA -0.211 4.129 4.340 -0.001 0.000 0.212 911 L C 2.707 179.622 176.870 0.076 0.000 1.073 911 L CA 2.014 56.911 54.840 0.095 0.000 0.753 911 L CB -0.762 41.349 42.059 0.086 0.000 0.890 911 L HN 0.766 nan 8.230 nan 0.000 0.432 912 E N -0.247 119.993 120.200 0.066 0.000 2.153 912 E HA -0.228 4.121 4.350 -0.001 0.000 0.194 912 E C 1.970 178.594 176.600 0.040 0.000 0.988 912 E CA 1.229 57.659 56.400 0.051 0.000 0.811 912 E CB -0.117 29.612 29.700 0.048 0.000 0.746 912 E HN 0.519 nan 8.360 nan 0.000 0.466 913 E N 0.181 120.414 120.200 0.054 0.000 2.216 913 E HA -0.015 4.335 4.350 -0.001 0.000 0.192 913 E C 1.884 178.509 176.600 0.042 0.000 0.988 913 E CA 0.303 56.733 56.400 0.050 0.000 0.834 913 E CB 0.036 29.779 29.700 0.072 0.000 0.772 913 E HN 0.204 nan 8.360 nan 0.000 0.479 914 L N 0.773 122.026 121.223 0.051 0.000 2.056 914 L HA -0.065 4.274 4.340 -0.001 0.000 0.207 914 L C 0.475 177.328 176.870 -0.028 0.000 1.078 914 L CA 0.588 55.432 54.840 0.008 0.000 0.749 914 L CB -0.076 41.993 42.059 0.017 0.000 0.901 914 L HN 0.083 nan 8.230 nan 0.000 0.433 915 N N -0.572 118.125 118.700 -0.005 0.000 2.362 915 N HA 0.292 5.031 4.740 -0.001 0.000 0.298 915 N C -0.809 174.662 175.510 -0.066 0.000 1.048 915 N CA -0.328 52.715 53.050 -0.011 0.000 0.858 915 N CB 2.416 40.924 38.487 0.036 0.000 1.218 915 N HN -0.282 nan 8.380 nan 0.000 0.488 916 V N 3.357 123.178 119.914 -0.155 0.000 2.465 916 V HA 0.286 4.405 4.120 -0.001 0.000 0.279 916 V C -1.739 174.122 176.094 -0.389 0.000 1.045 916 V CA -1.263 60.811 62.300 -0.376 0.000 0.938 916 V CB 1.293 32.638 31.823 -0.796 0.000 0.986 916 V HN 0.557 nan 8.190 nan 0.000 0.467 917 P HA 0.201 nan 4.420 nan 0.000 0.231 917 P C -0.551 176.677 177.300 -0.121 0.000 1.811 917 P CA -0.305 62.727 63.100 -0.112 0.000 1.051 917 P CB -0.367 31.323 31.700 -0.016 0.000 1.951 918 Y N 0.888 121.181 120.300 -0.011 0.000 2.578 918 Y HA 0.054 4.604 4.550 -0.001 0.000 0.339 918 Y C 2.214 178.111 175.900 -0.006 0.000 1.231 918 Y CA -0.323 57.749 58.100 -0.046 0.000 1.461 918 Y CB 0.379 38.788 38.460 -0.085 0.000 1.323 918 Y HN 0.296 nan 8.280 nan 0.000 0.590 919 A N 3.261 126.176 122.820 0.158 0.000 1.908 919 A HA -0.168 4.152 4.320 -0.001 0.000 0.218 919 A C 1.276 178.955 177.584 0.158 0.000 1.181 919 A CA 1.257 53.400 52.037 0.177 0.000 0.627 919 A CB -0.268 18.819 19.000 0.144 0.000 0.818 919 A HN 0.731 nan 8.150 nan 0.000 0.445 920 R N 0.286 120.796 120.500 0.018 0.000 2.265 920 R HA 0.373 4.712 4.340 -0.001 0.000 0.328 920 R C -3.047 173.255 176.300 0.004 0.000 0.969 920 R CA -2.399 53.678 56.100 -0.038 0.000 0.832 920 R CB 0.996 31.181 30.300 -0.193 0.000 1.139 920 R HN 0.053 nan 8.270 nan 0.000 0.457 921 P HA -0.067 nan 4.420 nan 0.000 0.265 921 P C -1.215 176.093 177.300 0.013 0.000 1.193 921 P CA 0.415 63.541 63.100 0.044 0.000 0.765 921 P CB 0.735 32.447 31.700 0.020 0.000 0.823 922 Q N 0.415 120.233 119.800 0.031 0.000 2.841 922 Q HA 0.363 4.702 4.340 -0.001 0.000 0.309 922 Q C -1.085 174.899 176.000 -0.027 0.000 0.868 922 Q CA -1.142 54.636 55.803 -0.042 0.000 0.760 922 Q CB 0.471 29.128 28.738 -0.134 0.000 1.454 922 Q HN 0.113 nan 8.270 nan 0.000 0.449 923 E N 0.942 121.076 120.200 -0.111 0.000 2.652 923 E HA 0.165 4.514 4.350 -0.001 0.000 0.255 923 E C -1.270 175.334 176.600 0.006 0.000 0.952 923 E CA 1.311 57.651 56.400 -0.101 0.000 0.947 923 E CB 0.419 30.005 29.700 -0.190 0.000 0.912 923 E HN 0.626 nan 8.360 nan 0.000 0.489 924 T N 2.428 117.045 114.554 0.105 0.000 2.840 924 T HA 0.558 4.907 4.350 -0.001 0.000 0.317 924 T C 0.313 175.101 174.700 0.146 0.000 1.401 924 T CA 0.266 62.492 62.100 0.210 0.000 1.028 924 T CB 0.790 69.792 68.868 0.224 0.000 1.317 924 T HN 0.955 nan 8.240 nan 0.000 0.495 925 G N 2.009 110.879 108.800 0.117 0.000 2.194 925 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.236 925 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.236 925 G C -0.018 174.736 174.900 -0.244 0.000 0.987 925 G CA 0.610 45.672 45.100 -0.064 0.000 0.635 925 G HN 1.276 nan 8.290 nan 0.000 0.520 926 H N 1.891 120.779 119.070 -0.303 0.000 3.046 926 H HA 0.532 5.088 4.556 -0.001 0.000 0.303 926 H C 0.524 175.426 175.328 -0.711 0.000 1.002 926 H CA 0.221 55.938 56.048 -0.551 0.000 1.460 926 H CB 0.460 29.825 29.762 -0.662 0.000 1.493 926 H HN 0.128 nan 8.280 nan 0.000 0.559 927 R N 4.137 123.838 120.500 -1.332 0.000 2.255 927 R HA 0.274 4.613 4.340 -0.001 0.000 0.326 927 R C -0.343 175.282 176.300 -1.126 0.000 0.986 927 R CA -0.598 54.755 56.100 -1.245 0.000 0.847 927 R CB 1.237 30.462 30.300 -1.791 0.000 1.111 927 R HN 0.612 nan 8.270 nan 0.000 0.452 928 S N 1.619 116.868 115.700 -0.751 0.000 2.632 928 S HA 0.154 4.623 4.470 -0.001 0.000 0.271 928 S C -0.300 174.172 174.600 -0.214 0.000 1.260 928 S CA -0.531 57.408 58.200 -0.436 0.000 1.010 928 S CB 0.626 63.678 63.200 -0.246 0.000 0.965 928 S HN 0.558 nan 8.310 nan 0.000 0.534 929 D N 0.213 120.550 120.400 -0.105 0.000 2.705 929 D HA -0.119 4.520 4.640 -0.001 0.000 0.240 929 D C -0.761 175.516 176.300 -0.039 0.000 1.137 929 D CA 0.402 54.374 54.000 -0.047 0.000 0.677 929 D CB -1.639 39.123 40.800 -0.063 0.000 1.049 929 D HN 0.210 nan 8.370 nan 0.000 0.427 930 V N 0.665 120.580 119.914 0.002 0.000 2.488 930 V HA 0.144 4.263 4.120 -0.001 0.000 0.277 930 V C 1.678 177.820 176.094 0.079 0.000 1.046 930 V CA -0.102 62.230 62.300 0.053 0.000 0.986 930 V CB 1.698 33.586 31.823 0.108 0.000 0.989 930 V HN 0.071 nan 8.190 nan 0.000 0.475 931 R N 3.934 124.485 120.500 0.086 0.000 2.066 931 R HA 0.140 4.479 4.340 -0.001 0.000 0.224 931 R C 0.323 176.796 176.300 0.289 0.000 1.122 931 R CA 1.051 57.280 56.100 0.216 0.000 0.974 931 R CB 0.236 30.787 30.300 0.418 0.000 0.871 931 R HN 0.859 nan 8.270 nan 0.000 0.435 932 W N -0.502 120.916 121.300 0.198 0.000 3.146 932 W HA 0.503 5.163 4.660 -0.001 0.000 0.319 932 W C -1.848 174.732 176.519 0.102 0.000 1.258 932 W CA -1.575 55.829 57.345 0.099 0.000 1.189 932 W CB 0.402 29.900 29.460 0.064 0.000 1.412 932 W HN -0.128 nan 8.180 nan 0.000 0.567 933 L N -0.415 121.024 121.223 0.361 0.000 2.388 933 L HA 0.755 5.095 4.340 -0.001 0.000 0.264 933 L C -0.884 176.149 176.870 0.271 0.000 0.998 933 L CA -0.945 53.984 54.840 0.149 0.000 0.817 933 L CB 2.509 44.270 42.059 -0.496 0.000 1.338 933 L HN 0.442 nan 8.230 nan 0.000 0.414 934 E N 3.207 123.577 120.200 0.283 0.000 2.216 934 E HA 0.501 4.850 4.350 -0.001 0.000 0.260 934 E C -1.357 175.295 176.600 0.086 0.000 0.880 934 E CA -0.590 55.897 56.400 0.145 0.000 0.765 934 E CB 2.440 32.264 29.700 0.206 0.000 1.174 934 E HN 0.591 nan 8.360 nan 0.000 0.417 935 L N 3.019 124.258 121.223 0.028 0.000 2.305 935 L HA 0.278 4.618 4.340 -0.001 0.000 0.281 935 L C 0.117 177.125 176.870 0.230 0.000 1.085 935 L CA -0.583 54.335 54.840 0.130 0.000 0.813 935 L CB 0.588 42.760 42.059 0.188 0.000 1.157 935 L HN 0.357 nan 8.230 nan 0.000 0.436 936 D N 2.870 123.392 120.400 0.203 0.000 2.255 936 D HA 0.277 4.917 4.640 -0.001 0.000 0.249 936 D C -0.192 176.202 176.300 0.157 0.000 1.078 936 D CA -0.180 53.929 54.000 0.181 0.000 0.896 936 D CB 1.710 42.587 40.800 0.129 0.000 1.194 936 D HN 0.315 nan 8.370 nan 0.000 0.429 937 R N 0.881 121.446 120.500 0.109 0.000 2.360 937 R HA 0.460 4.799 4.340 -0.001 0.000 0.318 937 R C -0.323 175.957 176.300 -0.032 0.000 0.950 937 R CA -0.468 55.604 56.100 -0.047 0.000 0.837 937 R CB 0.928 31.082 30.300 -0.244 0.000 1.165 937 R HN 0.499 nan 8.270 nan 0.000 0.458 938 A N 3.099 125.896 122.820 -0.038 0.000 2.783 938 A HA -0.201 4.119 4.320 -0.001 0.000 0.292 938 A C 1.065 178.654 177.584 0.008 0.000 1.495 938 A CA 1.324 53.349 52.037 -0.021 0.000 0.787 938 A CB -2.107 16.870 19.000 -0.039 0.000 1.017 938 A HN 1.626 nan 8.150 nan 0.000 0.516 939 G N -3.368 105.451 108.800 0.030 0.000 2.184 939 G HA2 0.218 4.177 3.960 -0.001 0.000 0.264 939 G HA3 0.218 4.177 3.960 -0.001 0.000 0.264 939 G C 0.635 175.567 174.900 0.053 0.000 0.975 939 G CA 1.280 46.408 45.100 0.046 0.000 0.642 939 G HN 2.624 nan 8.290 nan 0.000 0.536 940 A N 0.103 122.957 122.820 0.057 0.000 2.350 940 A HA 0.852 5.171 4.320 -0.001 0.000 0.324 940 A C -2.509 175.138 177.584 0.106 0.000 1.118 940 A CA -1.667 50.410 52.037 0.066 0.000 0.783 940 A CB 1.512 20.542 19.000 0.050 0.000 1.236 940 A HN 0.049 nan 8.150 nan 0.000 0.457 941 P HA 0.032 nan 4.420 nan 0.000 0.261 941 P C -0.298 177.103 177.300 0.168 0.000 1.183 941 P CA 0.454 63.621 63.100 0.111 0.000 0.761 941 P CB 0.353 32.084 31.700 0.051 0.000 0.785 942 W N 6.207 127.494 121.300 -0.022 0.000 3.772 942 W HA 0.370 5.030 4.660 -0.001 0.000 0.224 942 W C -1.247 175.243 176.519 -0.050 0.000 1.009 942 W CA 0.369 57.693 57.345 -0.034 0.000 1.889 942 W CB 0.042 29.482 29.460 -0.032 0.000 0.909 942 W HN 0.161 nan 8.180 nan 0.000 0.794 943 L N 2.180 123.090 121.223 -0.521 0.000 2.408 943 L HA 0.558 4.897 4.340 -0.001 0.000 0.268 943 L C -0.629 175.997 176.870 -0.407 0.000 0.986 943 L CA -0.906 53.441 54.840 -0.821 0.000 0.820 943 L CB 1.681 42.847 42.059 -1.488 0.000 1.303 943 L HN -0.022 nan 8.230 nan 0.000 0.411 944 R N 4.708 125.005 120.500 -0.338 0.000 2.445 944 R HA 0.787 5.127 4.340 -0.001 0.000 0.308 944 R C -1.748 174.433 176.300 -0.197 0.000 0.961 944 R CA -0.274 55.699 56.100 -0.212 0.000 0.862 944 R CB 1.068 31.240 30.300 -0.213 0.000 1.144 944 R HN 0.684 nan 8.270 nan 0.000 0.447 945 I N 3.768 124.270 120.570 -0.113 0.000 2.447 945 I HA 0.301 4.470 4.170 -0.001 0.000 0.287 945 I C -0.740 175.401 176.117 0.040 0.000 1.023 945 I CA -0.771 60.471 61.300 -0.098 0.000 1.083 945 I CB 2.114 40.013 38.000 -0.168 0.000 1.245 945 I HN 0.555 nan 8.210 nan 0.000 0.434 946 D N 6.016 126.440 120.400 0.041 0.000 2.168 946 D HA 0.566 5.206 4.640 -0.001 0.000 0.246 946 D C -0.520 175.836 176.300 0.093 0.000 1.050 946 D CA -0.221 53.852 54.000 0.123 0.000 0.857 946 D CB 2.671 43.517 40.800 0.077 0.000 1.169 946 D HN 0.540 nan 8.370 nan 0.000 0.453 947 A N 2.675 125.573 122.820 0.129 0.000 2.331 947 A HA 0.440 4.760 4.320 -0.001 0.000 0.320 947 A C -0.241 177.405 177.584 0.103 0.000 1.138 947 A CA -0.687 51.408 52.037 0.098 0.000 0.790 947 A CB 1.190 20.249 19.000 0.098 0.000 1.206 947 A HN 0.488 nan 8.150 nan 0.000 0.470 948 E N 2.573 122.820 120.200 0.078 0.000 2.231 948 E HA 0.440 4.790 4.350 -0.001 0.000 0.277 948 E C -2.489 174.154 176.600 0.071 0.000 0.999 948 E CA -1.793 54.653 56.400 0.075 0.000 0.827 948 E CB 1.084 30.817 29.700 0.056 0.000 1.101 948 E HN 0.430 nan 8.360 nan 0.000 0.393 949 P HA -0.045 nan 4.420 nan 0.000 0.269 949 P C -0.756 176.578 177.300 0.056 0.000 1.209 949 P CA -0.194 62.948 63.100 0.070 0.000 0.776 949 P CB 0.429 32.174 31.700 0.075 0.000 0.876 950 D N 1.279 121.710 120.400 0.051 0.000 2.414 950 D HA 0.135 4.774 4.640 -0.001 0.000 0.259 950 D C 1.279 177.602 176.300 0.039 0.000 1.269 950 D CA -0.351 53.674 54.000 0.042 0.000 1.028 950 D CB -0.260 40.565 40.800 0.040 0.000 1.093 950 D HN 0.253 nan 8.370 nan 0.000 0.545 951 A N -0.224 122.615 122.820 0.033 0.000 1.948 951 A HA -0.020 4.299 4.320 -0.001 0.000 0.220 951 A C 2.114 179.717 177.584 0.031 0.000 1.177 951 A CA 2.468 54.522 52.037 0.030 0.000 0.636 951 A CB -1.300 17.715 19.000 0.025 0.000 0.815 951 A HN 0.736 nan 8.150 nan 0.000 0.449 952 A N -2.073 120.766 122.820 0.033 0.000 2.238 952 A HA 0.420 4.740 4.320 -0.001 0.000 0.208 952 A C 1.758 179.367 177.584 0.041 0.000 1.177 952 A CA 1.143 53.200 52.037 0.033 0.000 0.804 952 A CB -0.939 18.080 19.000 0.031 0.000 0.823 952 A HN 1.928 nan 8.150 nan 0.000 0.482 953 G N -0.737 108.090 108.800 0.046 0.000 2.157 953 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.248 953 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.248 953 G C 0.273 175.212 174.900 0.063 0.000 0.979 953 G CA 0.186 45.319 45.100 0.055 0.000 0.650 953 G HN 0.614 nan 8.290 nan 0.000 0.529 954 R N 0.287 120.822 120.500 0.059 0.000 2.390 954 R HA 0.591 4.930 4.340 -0.001 0.000 0.291 954 R C 0.590 176.931 176.300 0.067 0.000 1.070 954 R CA -0.222 55.916 56.100 0.063 0.000 1.014 954 R CB 0.669 31.004 30.300 0.058 0.000 1.007 954 R HN 0.286 nan 8.270 nan 0.000 0.466 955 R N 2.828 123.370 120.500 0.070 0.000 2.664 955 R HA 0.407 4.746 4.340 -0.001 0.000 0.286 955 R C -2.099 174.242 176.300 0.069 0.000 0.967 955 R CA -1.821 54.322 56.100 0.072 0.000 0.933 955 R CB 1.285 31.629 30.300 0.073 0.000 1.146 955 R HN 0.444 nan 8.270 nan 0.000 0.468 956 P HA 0.286 nan 4.420 nan 0.000 0.282 956 P C -0.546 176.797 177.300 0.071 0.000 1.287 956 P CA -0.411 62.743 63.100 0.090 0.000 0.792 956 P CB 0.944 32.705 31.700 0.102 0.000 1.163 957 G N -1.107 107.751 108.800 0.096 0.000 2.788 957 G HA2 0.749 4.708 3.960 -0.001 0.000 0.293 957 G HA3 0.749 4.708 3.960 -0.001 0.000 0.293 957 G C -1.622 173.321 174.900 0.070 0.000 1.305 957 G CA -0.876 44.178 45.100 -0.076 0.000 1.005 957 G HN 0.578 nan 8.290 nan 0.000 0.496 958 F N -1.415 118.374 119.950 -0.268 0.000 2.643 958 F HA 0.865 5.392 4.527 -0.001 0.000 0.314 958 F C -0.613 175.103 175.800 -0.140 0.000 1.096 958 F CA -1.187 56.748 58.000 -0.109 0.000 0.953 958 F CB 1.889 40.815 39.000 -0.124 0.000 1.345 958 F HN 0.469 nan 8.300 nan 0.000 0.468 959 S N 1.878 117.632 115.700 0.089 0.000 2.549 959 S HA 0.740 5.210 4.470 -0.001 0.000 0.280 959 S C -1.962 172.837 174.600 0.331 0.000 1.109 959 S CA -0.601 57.601 58.200 0.004 0.000 0.905 959 S CB 1.962 65.208 63.200 0.077 0.000 1.081 959 S HN 0.844 nan 8.310 nan 0.000 0.477 960 L N 2.507 123.885 121.223 0.258 0.000 2.356 960 L HA 0.917 5.257 4.340 -0.001 0.000 0.277 960 L C -0.605 176.417 176.870 0.254 0.000 0.996 960 L CA -0.080 54.944 54.840 0.306 0.000 0.822 960 L CB 1.154 43.388 42.059 0.290 0.000 1.256 960 L HN 0.861 nan 8.230 nan 0.000 0.413 961 A N 4.406 127.416 122.820 0.317 0.000 2.469 961 A HA 0.706 5.026 4.320 -0.001 0.000 0.299 961 A C 0.162 177.918 177.584 0.285 0.000 1.098 961 A CA -0.700 51.519 52.037 0.302 0.000 0.737 961 A CB 1.433 20.654 19.000 0.369 0.000 1.312 961 A HN 0.784 nan 8.150 nan 0.000 0.414 962 R N -0.339 120.275 120.500 0.190 0.000 2.317 962 R HA 0.182 4.522 4.340 -0.001 0.000 0.208 962 R C -0.592 175.592 176.300 -0.194 0.000 0.914 962 R CA 0.576 56.657 56.100 -0.032 0.000 1.060 962 R CB -0.001 30.197 30.300 -0.170 0.000 1.015 962 R HN 0.786 nan 8.270 nan 0.000 0.498 963 H N -1.365 117.948 119.070 0.404 0.000 2.980 963 H HA 0.161 4.716 4.556 -0.001 0.000 0.367 963 H C -0.277 175.132 175.328 0.135 0.000 1.206 963 H CA -0.773 55.466 56.048 0.319 0.000 1.126 963 H CB 1.575 31.446 29.762 0.182 0.000 1.838 963 H HN -0.048 nan 8.280 nan 0.000 0.552 964 T N -1.209 113.320 114.554 -0.043 0.000 2.813 964 T HA 0.330 4.679 4.350 -0.001 0.000 0.297 964 T C 1.485 176.254 174.700 0.114 0.000 1.036 964 T CA -0.199 61.807 62.100 -0.157 0.000 1.044 964 T CB 1.165 69.870 68.868 -0.272 0.000 0.993 964 T HN 0.724 nan 8.240 nan 0.000 0.535 965 A N 0.853 123.775 122.820 0.170 0.000 2.024 965 A HA -0.107 4.212 4.320 -0.001 0.000 0.220 965 A C 2.369 180.160 177.584 0.346 0.000 1.164 965 A CA 1.625 53.750 52.037 0.147 0.000 0.643 965 A CB -0.974 18.043 19.000 0.027 0.000 0.806 965 A HN 0.863 nan 8.150 nan 0.000 0.451 966 Q N -0.141 119.828 119.800 0.282 0.000 2.079 966 Q HA -0.126 4.213 4.340 -0.001 0.000 0.200 966 Q C 1.918 177.989 176.000 0.119 0.000 0.974 966 Q CA 1.866 57.761 55.803 0.153 0.000 0.840 966 Q CB -0.254 28.448 28.738 -0.060 0.000 0.898 966 Q HN 0.801 nan 8.270 nan 0.000 0.430 967 E N 0.067 120.321 120.200 0.091 0.000 2.077 967 E HA -0.150 4.199 4.350 -0.001 0.000 0.193 967 E C 1.909 178.534 176.600 0.042 0.000 0.989 967 E CA 0.943 57.382 56.400 0.064 0.000 0.800 967 E CB -0.136 29.622 29.700 0.097 0.000 0.746 967 E HN 0.335 nan 8.360 nan 0.000 0.452 968 I N 1.196 121.812 120.570 0.077 0.000 2.179 968 I HA -0.272 3.897 4.170 -0.001 0.000 0.242 968 I C 2.522 178.679 176.117 0.066 0.000 1.088 968 I CA 1.008 62.336 61.300 0.046 0.000 1.357 968 I CB -0.282 37.761 38.000 0.071 0.000 1.051 968 I HN 0.086 nan 8.210 nan 0.000 0.409 969 A N 0.564 123.474 122.820 0.151 0.000 1.972 969 A HA -0.116 4.204 4.320 -0.001 0.000 0.219 969 A C 2.439 180.105 177.584 0.136 0.000 1.169 969 A CA 1.719 53.873 52.037 0.196 0.000 0.635 969 A CB -0.680 18.600 19.000 0.467 0.000 0.810 969 A HN 0.446 nan 8.150 nan 0.000 0.446 970 A N -0.753 122.125 122.820 0.096 0.000 2.119 970 A HA 0.514 4.833 4.320 -0.001 0.000 0.216 970 A C 1.333 178.929 177.584 0.021 0.000 1.152 970 A CA 0.893 52.961 52.037 0.052 0.000 0.708 970 A CB -0.574 18.444 19.000 0.030 0.000 0.805 970 A HN 0.975 nan 8.150 nan 0.000 0.460 971 A N -0.566 122.254 122.820 -0.000 0.000 2.289 971 A HA 0.542 4.861 4.320 -0.001 0.000 0.298 971 A C 1.334 178.906 177.584 -0.019 0.000 1.208 971 A CA 0.061 52.077 52.037 -0.034 0.000 0.845 971 A CB 0.578 19.529 19.000 -0.083 0.000 1.125 971 A HN 0.513 nan 8.150 nan 0.000 0.517 972 G N 0.787 109.584 108.800 -0.006 0.000 2.430 972 G HA2 0.241 4.200 3.960 -0.001 0.000 0.216 972 G HA3 0.241 4.200 3.960 -0.001 0.000 0.216 972 G C 0.401 175.192 174.900 -0.181 0.000 1.146 972 G CA 0.846 45.937 45.100 -0.015 0.000 0.793 972 G HN 0.818 nan 8.290 nan 0.000 0.537 973 H N -2.140 116.850 119.070 -0.132 0.000 2.961 973 H HA 0.377 4.933 4.556 -0.001 0.000 0.371 973 H C -1.953 173.247 175.328 -0.214 0.000 1.190 973 H CA -1.725 54.240 56.048 -0.139 0.000 1.138 973 H CB 1.717 31.281 29.762 -0.331 0.000 1.816 973 H HN -0.230 nan 8.280 nan 0.000 0.551 974 P HA -0.230 nan 4.420 nan 0.000 0.216 974 P C 1.325 178.603 177.300 -0.038 0.000 1.153 974 P CA 1.711 64.825 63.100 0.023 0.000 0.858 974 P CB 0.055 31.821 31.700 0.109 0.000 0.789 975 H N -0.462 118.602 119.070 -0.011 0.000 2.543 975 H HA 0.028 4.583 4.556 -0.001 0.000 0.286 975 H C 0.981 176.253 175.328 -0.092 0.000 1.037 975 H CA 0.892 56.898 56.048 -0.069 0.000 1.250 975 H CB -0.588 29.088 29.762 -0.142 0.000 1.373 975 H HN 0.249 nan 8.280 nan 0.000 0.580 976 E N 0.819 120.711 120.200 -0.513 0.000 2.478 976 E HA 0.172 4.522 4.350 -0.001 0.000 0.194 976 E C 0.219 176.719 176.600 -0.166 0.000 1.045 976 E CA -0.303 55.901 56.400 -0.326 0.000 0.868 976 E CB 0.391 29.897 29.700 -0.324 0.000 0.885 976 E HN 0.404 nan 8.360 nan 0.000 0.505 977 L N 2.951 124.075 121.223 -0.166 0.000 2.397 977 L HA 0.182 4.521 4.340 -0.001 0.000 0.271 977 L C -1.744 175.080 176.870 -0.077 0.000 1.148 977 L CA -1.875 52.829 54.840 -0.227 0.000 0.825 977 L CB -0.009 41.755 42.059 -0.492 0.000 1.117 977 L HN -0.061 nan 8.230 nan 0.000 0.456 978 P HA 0.041 nan 4.420 nan 0.000 0.272 978 P C -0.416 177.022 177.300 0.230 0.000 1.240 978 P CA -0.471 62.692 63.100 0.105 0.000 0.791 978 P CB 0.282 32.054 31.700 0.120 0.000 0.978 979 T N 3.064 117.708 114.554 0.151 0.000 2.871 979 T HA 0.134 4.483 4.350 -0.001 0.000 0.296 979 T C -1.976 172.801 174.700 0.129 0.000 0.998 979 T CA -0.121 62.058 62.100 0.131 0.000 1.162 979 T CB -0.903 68.004 68.868 0.065 0.000 0.947 979 T HN 0.347 nan 8.240 nan 0.000 0.536 980 P HA 0.122 nan 4.420 nan 0.000 0.268 980 P C 0.352 177.617 177.300 -0.058 0.000 1.204 980 P CA -0.162 62.895 63.100 -0.071 0.000 0.768 980 P CB 0.606 32.195 31.700 -0.185 0.000 0.842 981 S N 0.661 116.333 115.700 -0.046 0.000 2.505 981 S HA 0.120 4.589 4.470 -0.001 0.000 0.216 981 S C 0.527 174.817 174.600 -0.517 0.000 1.018 981 S CA 0.098 58.184 58.200 -0.189 0.000 0.911 981 S CB -0.163 62.989 63.200 -0.080 0.000 0.818 981 S HN 0.466 nan 8.310 nan 0.000 0.497 982 H N 0.104 119.064 119.070 -0.183 0.000 2.977 982 H HA 0.581 5.137 4.556 -0.001 0.000 0.350 982 H C -1.130 173.915 175.328 -0.471 0.000 1.238 982 H CA -0.689 55.110 56.048 -0.415 0.000 1.124 982 H CB 1.711 31.017 29.762 -0.761 0.000 1.866 982 H HN 0.089 nan 8.280 nan 0.000 0.550 983 S N 0.436 115.960 115.700 -0.293 0.000 2.565 983 S HA 0.471 4.941 4.470 -0.001 0.000 0.290 983 S C -1.083 173.308 174.600 -0.350 0.000 1.150 983 S CA -0.556 57.520 58.200 -0.206 0.000 1.058 983 S CB 0.571 63.734 63.200 -0.062 0.000 1.032 983 S HN 0.306 nan 8.310 nan 0.000 0.510 984 Y N 1.545 121.920 120.300 0.125 0.000 2.331 984 Y HA 0.518 5.068 4.550 -0.001 0.000 0.334 984 Y C -0.385 175.592 175.900 0.128 0.000 0.960 984 Y CA -0.901 57.245 58.100 0.078 0.000 1.130 984 Y CB 1.222 39.713 38.460 0.051 0.000 1.164 984 Y HN 0.456 nan 8.280 nan 0.000 0.458 985 L N 4.760 126.131 121.223 0.247 0.000 2.272 985 L HA 0.513 4.852 4.340 -0.001 0.000 0.289 985 L C -1.706 175.312 176.870 0.246 0.000 1.032 985 L CA -0.614 54.403 54.840 0.294 0.000 0.810 985 L CB 0.079 42.279 42.059 0.235 0.000 1.205 985 L HN 0.459 nan 8.230 nan 0.000 0.422 986 Y N 4.169 124.659 120.300 0.316 0.000 2.328 986 Y HA 0.541 5.091 4.550 -0.001 0.000 0.337 986 Y C -0.101 175.964 175.900 0.275 0.000 1.008 986 Y CA -0.593 57.658 58.100 0.252 0.000 1.129 986 Y CB 1.760 40.310 38.460 0.150 0.000 1.185 986 Y HN 0.286 nan 8.280 nan 0.000 0.476 987 V N 4.537 124.689 119.914 0.396 0.000 2.334 987 V HA 0.259 4.379 4.120 -0.001 0.000 0.281 987 V C -0.694 175.539 176.094 0.232 0.000 1.016 987 V CA -0.843 61.650 62.300 0.322 0.000 0.832 987 V CB 1.031 33.055 31.823 0.336 0.000 0.999 987 V HN 0.662 nan 8.190 nan 0.000 0.439 988 D N 3.622 124.151 120.400 0.214 0.000 2.256 988 D HA 0.493 5.133 4.640 -0.001 0.000 0.240 988 D C 0.851 177.222 176.300 0.118 0.000 1.062 988 D CA -0.186 53.897 54.000 0.138 0.000 0.832 988 D CB 2.367 43.227 40.800 0.100 0.000 1.135 988 D HN 0.518 nan 8.370 nan 0.000 0.484 989 A N 2.111 124.973 122.820 0.070 0.000 1.930 989 A HA 0.303 4.623 4.320 -0.001 0.000 0.217 989 A C 0.859 178.479 177.584 0.061 0.000 1.175 989 A CA 1.349 53.425 52.037 0.064 0.000 0.627 989 A CB 0.166 19.193 19.000 0.045 0.000 0.815 989 A HN 0.592 nan 8.150 nan 0.000 0.443 990 A N -1.397 121.443 122.820 0.033 0.000 2.574 990 A HA 0.650 4.969 4.320 -0.001 0.000 0.297 990 A C -1.196 176.351 177.584 -0.061 0.000 1.062 990 A CA -0.579 51.469 52.037 0.019 0.000 0.686 990 A CB 1.128 20.158 19.000 0.051 0.000 1.285 990 A HN 0.152 nan 8.150 nan 0.000 0.403 991 Q N 1.076 120.822 119.800 -0.090 0.000 2.372 991 Q HA 0.277 4.617 4.340 -0.001 0.000 0.273 991 Q C -1.024 175.023 176.000 0.077 0.000 1.078 991 Q CA -0.586 55.149 55.803 -0.114 0.000 0.806 991 Q CB 2.219 30.740 28.738 -0.361 0.000 1.332 991 Q HN 0.961 nan 8.270 nan 0.000 0.435 992 H N 0.426 119.498 119.070 0.003 0.000 2.771 992 H HA 0.207 4.763 4.556 -0.001 0.000 0.364 992 H C 0.290 175.684 175.328 0.110 0.000 1.133 992 H CA 0.281 56.378 56.048 0.082 0.000 1.423 992 H CB 1.000 30.828 29.762 0.110 0.000 1.425 992 H HN 0.795 nan 8.280 nan 0.000 0.606 993 G N 2.192 110.804 108.800 -0.314 0.000 2.631 993 G HA2 0.122 4.081 3.960 -0.001 0.000 0.271 993 G HA3 0.122 4.081 3.960 -0.001 0.000 0.271 993 G C 0.865 175.550 174.900 -0.358 0.000 1.302 993 G CA -0.398 44.569 45.100 -0.222 0.000 1.002 993 G HN 0.670 nan 8.290 nan 0.000 0.519 994 L N 0.042 121.136 121.223 -0.216 0.000 2.349 994 L HA 0.303 4.642 4.340 -0.001 0.000 0.200 994 L C 2.031 178.816 176.870 -0.143 0.000 1.064 994 L CA 0.688 55.393 54.840 -0.225 0.000 0.821 994 L CB -0.999 40.921 42.059 -0.231 0.000 1.027 994 L HN 0.956 nan 8.230 nan 0.000 0.476 995 G N 1.144 109.905 108.800 -0.065 0.000 2.578 995 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.275 995 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.275 995 G C 0.258 175.138 174.900 -0.033 0.000 1.271 995 G CA 0.260 45.360 45.100 -0.001 0.000 0.941 995 G HN 0.583 nan 8.290 nan 0.000 0.564 996 S N -2.070 113.601 115.700 -0.049 0.000 2.745 996 S HA 0.387 4.856 4.470 -0.001 0.000 0.232 996 S C 0.814 175.338 174.600 -0.127 0.000 0.804 996 S CA 0.820 58.983 58.200 -0.061 0.000 1.071 996 S CB 0.707 63.904 63.200 -0.005 0.000 1.480 996 S HN 0.897 nan 8.310 nan 0.000 0.467 997 R N 1.088 121.511 120.500 -0.127 0.000 2.280 997 R HA 0.172 4.511 4.340 -0.001 0.000 0.207 997 R C 2.065 178.295 176.300 -0.117 0.000 1.043 997 R CA 1.011 57.027 56.100 -0.141 0.000 1.006 997 R CB -0.445 29.791 30.300 -0.108 0.000 0.885 997 R HN 0.618 nan 8.270 nan 0.000 0.467 998 A N -0.146 122.612 122.820 -0.104 0.000 1.978 998 A HA -0.165 4.154 4.320 -0.001 0.000 0.220 998 A C 1.076 178.549 177.584 -0.186 0.000 1.170 998 A CA 1.410 53.413 52.037 -0.057 0.000 0.636 998 A CB -0.202 18.784 19.000 -0.023 0.000 0.810 998 A HN 0.452 nan 8.150 nan 0.000 0.448 999 C N -1.796 117.264 119.300 -0.400 0.000 3.212 999 C HA 0.578 5.038 4.460 -0.001 0.000 0.367 999 C C 0.070 174.693 174.990 -0.612 0.000 0.979 999 C CA 0.305 58.938 59.018 -0.642 0.000 1.283 999 C CB -0.455 26.527 27.740 -1.262 0.000 1.644 999 C HN 1.675 nan 8.230 nan 0.000 0.575 1000 G N 5.117 113.664 108.800 -0.421 0.000 2.357 1000 G HA2 0.280 4.240 3.960 -0.001 0.000 0.289 1000 G HA3 0.280 4.240 3.960 -0.001 0.000 0.289 1000 G C -3.499 170.709 174.900 -1.152 0.000 1.302 1000 G CA -0.689 44.009 45.100 -0.669 0.000 0.936 1000 G HN 0.332 nan 8.290 nan 0.000 0.513 1001 P HA 0.256 nan 4.420 nan 0.000 0.267 1001 P C -0.298 176.817 177.300 -0.308 0.000 1.200 1001 P CA 0.066 62.729 63.100 -0.728 0.000 0.772 1001 P CB 0.615 32.236 31.700 -0.131 0.000 0.855 1002 D N 1.505 121.708 120.400 -0.328 0.000 2.363 1002 D HA 0.005 4.645 4.640 -0.001 0.000 0.240 1002 D C -0.323 176.073 176.300 0.159 0.000 1.236 1002 D CA -0.143 53.777 54.000 -0.133 0.000 0.927 1002 D CB 0.472 41.114 40.800 -0.264 0.000 1.150 1002 D HN -0.037 nan 8.370 nan 0.000 0.458 1003 V N 2.898 122.918 119.914 0.177 0.000 2.584 1003 V HA -0.133 3.987 4.120 -0.001 0.000 0.303 1003 V C 0.593 176.962 176.094 0.457 0.000 1.035 1003 V CA -0.087 62.363 62.300 0.250 0.000 1.172 1003 V CB -0.003 31.868 31.823 0.080 0.000 0.896 1003 V HN 0.448 nan 8.190 nan 0.000 0.486 1004 W N 7.581 129.063 121.300 0.303 0.000 2.251 1004 W HA 0.119 4.778 4.660 -0.001 0.000 0.327 1004 W C -1.781 174.815 176.519 0.130 0.000 1.361 1004 W CA -1.854 55.617 57.345 0.211 0.000 1.234 1004 W CB 1.151 30.752 29.460 0.235 0.000 1.212 1004 W HN 0.571 nan 8.180 nan 0.000 0.557 1005 P HA -0.219 nan 4.420 nan 0.000 0.218 1005 P C 0.667 177.801 177.300 -0.277 0.000 1.146 1005 P CA 2.045 64.936 63.100 -0.347 0.000 0.813 1005 P CB 0.214 31.607 31.700 -0.513 0.000 0.778 1006 D N -2.125 118.019 120.400 -0.427 0.000 2.309 1006 D HA -0.113 4.527 4.640 -0.001 0.000 0.212 1006 D C 0.797 176.745 176.300 -0.586 0.000 0.968 1006 D CA 1.058 54.726 54.000 -0.553 0.000 0.882 1006 D CB -0.515 39.809 40.800 -0.795 0.000 0.918 1006 D HN 0.336 nan 8.370 nan 0.000 0.503 1007 F N -0.539 119.485 119.950 0.123 0.000 2.729 1007 F HA 0.424 4.950 4.527 -0.001 0.000 0.315 1007 F C 0.734 176.597 175.800 0.106 0.000 1.102 1007 F CA -0.672 57.397 58.000 0.116 0.000 1.204 1007 F CB 0.564 39.644 39.000 0.134 0.000 1.052 1007 F HN -0.191 nan 8.300 nan 0.000 0.551 1008 A N 1.408 124.371 122.820 0.240 0.000 2.310 1008 A HA 0.578 4.897 4.320 -0.001 0.000 0.299 1008 A C -0.892 176.877 177.584 0.309 0.000 1.147 1008 A CA -0.400 51.855 52.037 0.363 0.000 0.818 1008 A CB 0.669 19.854 19.000 0.307 0.000 1.096 1008 A HN 0.216 nan 8.150 nan 0.000 0.495 1009 L N 3.229 124.716 121.223 0.440 0.000 2.257 1009 L HA 0.494 4.834 4.340 -0.001 0.000 0.290 1009 L C -0.001 176.881 176.870 0.019 0.000 1.044 1009 L CA 0.059 55.007 54.840 0.179 0.000 0.810 1009 L CB 0.411 42.587 42.059 0.196 0.000 1.193 1009 L HN 0.678 nan 8.230 nan 0.000 0.425 1010 R N 4.668 125.128 120.500 -0.067 0.000 2.787 1010 R HA 0.572 4.911 4.340 -0.001 0.000 0.271 1010 R C -2.484 173.562 176.300 -0.424 0.000 0.993 1010 R CA -2.349 53.617 56.100 -0.223 0.000 0.993 1010 R CB 0.956 31.160 30.300 -0.160 0.000 1.155 1010 R HN 0.410 nan 8.270 nan 0.000 0.486 1011 P HA -0.023 nan 4.420 nan 0.000 0.264 1011 P C -0.688 176.278 177.300 -0.557 0.000 1.183 1011 P CA 0.538 62.868 63.100 -1.284 0.000 0.763 1011 P CB 0.394 31.240 31.700 -1.425 0.000 0.807 1012 E N 1.290 121.270 120.200 -0.366 0.000 2.412 1012 E HA 0.715 5.064 4.350 -0.001 0.000 0.279 1012 E C -1.558 175.035 176.600 -0.011 0.000 0.984 1012 E CA -1.459 54.866 56.400 -0.125 0.000 0.788 1012 E CB 1.273 30.932 29.700 -0.068 0.000 1.277 1012 E HN 0.248 nan 8.360 nan 0.000 0.455 1013 A N 1.785 124.612 122.820 0.011 0.000 2.327 1013 A HA 0.663 4.982 4.320 -0.001 0.000 0.283 1013 A C -0.422 177.187 177.584 0.040 0.000 1.127 1013 A CA -0.583 51.480 52.037 0.045 0.000 0.810 1013 A CB 0.451 19.476 19.000 0.042 0.000 1.066 1013 A HN 0.461 nan 8.150 nan 0.000 0.492 1014 R N 0.480 121.007 120.500 0.045 0.000 2.808 1014 R HA 0.716 5.056 4.340 -0.001 0.000 0.272 1014 R C -1.226 175.091 176.300 0.028 0.000 0.995 1014 R CA -0.501 55.621 56.100 0.036 0.000 0.917 1014 R CB 1.851 32.175 30.300 0.040 0.000 1.217 1014 R HN 0.698 nan 8.270 nan 0.000 0.471 1015 T N 1.717 116.287 114.554 0.027 0.000 2.861 1015 T HA 0.575 4.924 4.350 -0.001 0.000 0.287 1015 T C -0.354 174.360 174.700 0.024 0.000 1.003 1015 T CA -0.574 61.538 62.100 0.020 0.000 0.977 1015 T CB 1.484 70.364 68.868 0.021 0.000 0.996 1015 T HN 0.192 nan 8.240 nan 0.000 0.448 1016 L N 3.013 124.245 121.223 0.016 0.000 2.322 1016 L HA 0.581 4.920 4.340 -0.001 0.000 0.281 1016 L C -0.041 176.835 176.870 0.010 0.000 1.014 1016 L CA -0.779 54.076 54.840 0.026 0.000 0.815 1016 L CB 1.577 43.658 42.059 0.037 0.000 1.247 1016 L HN 0.396 nan 8.230 nan 0.000 0.421 1017 K N 5.065 125.478 120.400 0.021 0.000 2.521 1017 K HA 0.642 4.961 4.320 -0.001 0.000 0.248 1017 K C -1.326 175.283 176.600 0.015 0.000 0.978 1017 K CA -0.216 56.078 56.287 0.011 0.000 0.947 1017 K CB 1.333 33.847 32.500 0.022 0.000 1.165 1017 K HN 0.410 nan 8.250 nan 0.000 0.445 1018 L N 2.260 123.479 121.223 -0.007 0.000 2.341 1018 L HA 0.629 4.968 4.340 -0.001 0.000 0.267 1018 L C -0.277 176.581 176.870 -0.020 0.000 1.009 1018 L CA -1.184 53.652 54.840 -0.007 0.000 0.819 1018 L CB 2.109 44.159 42.059 -0.014 0.000 1.323 1018 L HN 0.379 nan 8.230 nan 0.000 0.425 1019 R N 2.162 122.652 120.500 -0.016 0.000 2.561 1019 R HA 0.702 5.042 4.340 -0.001 0.000 0.297 1019 R C -1.365 174.906 176.300 -0.048 0.000 0.969 1019 R CA -0.636 55.454 56.100 -0.018 0.000 0.879 1019 R CB 2.561 32.856 30.300 -0.007 0.000 1.178 1019 R HN 0.489 nan 8.270 nan 0.000 0.445 1020 I N 1.931 122.473 120.570 -0.046 0.000 2.436 1020 I HA 0.346 4.516 4.170 -0.001 0.000 0.289 1020 I C -0.259 175.798 176.117 -0.101 0.000 1.010 1020 I CA -0.417 60.821 61.300 -0.104 0.000 1.098 1020 I CB 2.104 40.050 38.000 -0.090 0.000 1.266 1020 I HN 0.668 nan 8.210 nan 0.000 0.434 1021 S N 5.176 120.778 115.700 -0.163 0.000 2.564 1021 S HA 0.673 5.142 4.470 -0.001 0.000 0.274 1021 S C -3.046 171.421 174.600 -0.223 0.000 1.124 1021 S CA -1.786 56.323 58.200 -0.153 0.000 0.869 1021 S CB 1.970 65.095 63.200 -0.125 0.000 1.105 1021 S HN 0.160 nan 8.310 nan 0.000 0.472 1022 P HA 0.337 nan 4.420 nan 0.000 0.265 1022 P C -0.212 176.981 177.300 -0.178 0.000 1.193 1022 P CA 0.085 63.064 63.100 -0.201 0.000 0.765 1022 P CB 0.216 31.852 31.700 -0.105 0.000 0.823 1023 A N 0.000 122.709 122.820 -0.184 0.000 2.254 1023 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 1023 A CA 0.000 51.950 52.037 -0.145 0.000 0.836 1023 A CB 0.000 18.934 19.000 -0.110 0.000 0.831 1023 A HN 0.000 nan 8.150 nan 0.000 0.486