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_D 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 0.000 177.647 177.584 0.105 0.000 1.274 4 A CA 0.000 52.095 52.037 0.096 0.000 0.836 4 A CB 0.000 19.067 19.000 0.112 0.000 0.831 5 D N 2.502 122.976 120.400 0.124 0.000 2.347 5 D HA 0.371 5.011 4.640 -0.000 0.000 0.235 5 D C 0.784 177.206 176.300 0.204 0.000 1.149 5 D CA 0.379 54.452 54.000 0.123 0.000 0.850 5 D CB 1.557 42.416 40.800 0.099 0.000 1.061 5 D HN 0.958 nan 8.370 nan 0.000 0.487 6 V N 1.882 121.877 119.914 0.135 0.000 3.121 6 V HA 0.114 4.234 4.120 -0.000 0.000 0.344 6 V C 1.601 177.610 176.094 -0.143 0.000 1.390 6 V CA 0.384 62.719 62.300 0.059 0.000 1.177 6 V CB -0.385 31.434 31.823 -0.008 0.000 1.163 6 V HN 0.465 nan 8.190 nan 0.000 0.484 7 S N 0.988 116.679 115.700 -0.015 0.000 2.469 7 S HA -0.248 4.222 4.470 -0.000 0.000 0.238 7 S C 1.824 176.376 174.600 -0.079 0.000 0.998 7 S CA 1.366 59.532 58.200 -0.057 0.000 0.957 7 S CB -1.071 62.122 63.200 -0.012 0.000 0.764 7 S HN 0.981 nan 8.310 nan 0.000 0.514 8 Y N 0.992 121.266 120.300 -0.044 0.000 2.315 8 Y HA 0.084 4.634 4.550 -0.000 0.000 0.288 8 Y C 2.000 177.863 175.900 -0.060 0.000 1.154 8 Y CA 0.648 58.714 58.100 -0.057 0.000 1.229 8 Y CB -0.733 37.694 38.460 -0.055 0.000 0.980 8 Y HN 0.291 nan 8.280 nan 0.000 0.540 9 L N 1.463 122.215 121.223 -0.785 0.000 2.141 9 L HA -0.073 4.267 4.340 -0.000 0.000 0.209 9 L C 2.064 178.782 176.870 -0.252 0.000 1.094 9 L CA 2.433 56.906 54.840 -0.613 0.000 0.763 9 L CB -0.837 40.768 42.059 -0.757 0.000 0.908 9 L HN 0.602 nan 8.230 nan 0.000 0.437 10 T N -5.044 109.384 114.554 -0.210 0.000 3.044 10 T HA 0.157 4.507 4.350 -0.000 0.000 0.260 10 T C 0.505 175.091 174.700 -0.190 0.000 1.019 10 T CA -0.300 61.703 62.100 -0.162 0.000 0.921 10 T CB -0.537 68.225 68.868 -0.176 0.000 1.053 10 T HN 0.229 nan 8.240 nan 0.000 0.533 11 D N 1.758 122.066 120.400 -0.153 0.000 2.455 11 D HA 0.086 4.726 4.640 -0.000 0.000 0.241 11 D C 0.973 177.130 176.300 -0.239 0.000 1.138 11 D CA 0.237 54.133 54.000 -0.172 0.000 0.877 11 D CB 0.850 41.597 40.800 -0.089 0.000 1.187 11 D HN 0.265 nan 8.370 nan 0.000 0.451 12 Q N 1.766 121.326 119.800 -0.399 0.000 2.360 12 Q HA 0.220 4.559 4.340 -0.000 0.000 0.202 12 Q C 0.857 176.677 176.000 -0.300 0.000 0.915 12 Q CA -0.279 55.140 55.803 -0.639 0.000 0.943 12 Q CB 1.093 29.087 28.738 -1.241 0.000 1.064 12 Q HN 0.531 nan 8.270 nan 0.000 0.511 13 G N 1.420 110.114 108.800 -0.177 0.000 2.588 13 G HA2 0.136 4.096 3.960 -0.000 0.000 0.281 13 G HA3 0.136 4.096 3.960 -0.000 0.000 0.281 13 G C -1.730 173.146 174.900 -0.040 0.000 1.236 13 G CA -0.978 44.064 45.100 -0.096 0.000 0.969 13 G HN -0.021 nan 8.290 nan 0.000 0.504 14 P HA 0.171 nan 4.420 nan 0.000 0.233 14 P C 0.750 178.027 177.300 -0.039 0.000 1.167 14 P CA 1.237 64.315 63.100 -0.037 0.000 0.770 14 P CB 0.328 31.985 31.700 -0.072 0.000 0.837 15 G N -0.586 108.191 108.800 -0.038 0.000 2.347 15 G HA2 0.281 4.241 3.960 -0.000 0.000 0.477 15 G HA3 0.281 4.241 3.960 -0.000 0.000 0.477 15 G C -1.154 173.728 174.900 -0.030 0.000 1.349 15 G CA -0.179 44.897 45.100 -0.040 0.000 1.000 15 G HN 0.384 nan 8.290 nan 0.000 0.605 16 S N -1.201 114.490 115.700 -0.014 0.000 2.671 16 S HA 1.099 5.569 4.470 -0.000 0.000 0.277 16 S C 0.616 175.238 174.600 0.037 0.000 1.165 16 S CA 0.587 58.781 58.200 -0.009 0.000 0.822 16 S CB 1.546 64.723 63.200 -0.039 0.000 1.150 16 S HN 3.121 nan 8.310 nan 0.000 0.479 17 G N 1.216 110.028 108.800 0.021 0.000 2.445 17 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.212 17 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.212 17 G C -0.845 174.118 174.900 0.104 0.000 1.217 17 G CA -0.547 44.574 45.100 0.034 0.000 1.002 17 G HN 0.893 nan 8.290 nan 0.000 0.574 18 R N 1.215 121.817 120.500 0.170 0.000 4.556 18 R HA 0.225 4.565 4.340 -0.000 0.000 0.197 18 R C 0.638 177.071 176.300 0.221 0.000 1.791 18 R CA -0.144 56.060 56.100 0.173 0.000 1.526 18 R CB -0.108 30.285 30.300 0.154 0.000 1.410 18 R HN 0.325 nan 8.270 nan 0.000 0.826 19 R N 0.519 121.084 120.500 0.110 0.000 2.491 19 R HA 0.160 4.500 4.340 -0.000 0.000 0.283 19 R C -0.074 176.185 176.300 -0.068 0.000 1.072 19 R CA -0.253 55.809 56.100 -0.063 0.000 1.048 19 R CB 1.015 31.254 30.300 -0.102 0.000 0.983 19 R HN 0.013 nan 8.270 nan 0.000 0.450 20 V N 5.164 125.004 119.914 -0.124 0.000 2.481 20 V HA 0.206 4.326 4.120 -0.000 0.000 0.286 20 V C -1.838 174.200 176.094 -0.094 0.000 1.042 20 V CA -2.077 60.176 62.300 -0.078 0.000 0.928 20 V CB 1.411 33.192 31.823 -0.070 0.000 0.986 20 V HN 0.677 nan 8.190 nan 0.000 0.462 21 P HA 0.131 nan 4.420 nan 0.000 0.264 21 P C -0.184 177.075 177.300 -0.068 0.000 1.183 21 P CA 0.106 63.171 63.100 -0.058 0.000 0.763 21 P CB 0.305 31.989 31.700 -0.026 0.000 0.807 22 A N 4.238 127.008 122.820 -0.084 0.000 2.531 22 A HA 0.338 4.658 4.320 -0.000 0.000 0.236 22 A C 0.737 178.288 177.584 -0.055 0.000 1.062 22 A CA 0.397 52.382 52.037 -0.088 0.000 0.760 22 A CB -0.210 18.718 19.000 -0.120 0.000 0.995 22 A HN 0.727 nan 8.150 nan 0.000 0.501 23 R N 0.576 121.045 120.500 -0.051 0.000 2.781 23 R HA 0.635 4.974 4.340 -0.000 0.000 0.268 23 R C -0.681 175.602 176.300 -0.028 0.000 1.047 23 R CA -0.693 55.385 56.100 -0.036 0.000 0.925 23 R CB 0.551 30.832 30.300 -0.030 0.000 1.246 23 R HN 0.463 nan 8.270 nan 0.000 0.456 24 S N 0.019 115.705 115.700 -0.023 0.000 2.579 24 S HA 0.020 4.490 4.470 -0.000 0.000 0.275 24 S C -0.955 173.681 174.600 0.061 0.000 1.345 24 S CA -0.527 57.679 58.200 0.011 0.000 1.031 24 S CB 0.207 63.401 63.200 -0.011 0.000 0.892 24 S HN 0.487 nan 8.310 nan 0.000 0.529 25 W N 3.637 124.878 121.300 -0.098 0.000 2.388 25 W HA 0.538 5.198 4.660 -0.000 0.000 0.308 25 W C -1.340 175.084 176.519 -0.158 0.000 1.263 25 W CA -0.343 56.926 57.345 -0.128 0.000 1.286 25 W CB -0.006 29.382 29.460 -0.121 0.000 1.294 25 W HN 0.424 nan 8.180 nan 0.000 0.493 26 L N 6.355 127.251 121.223 -0.546 0.000 2.370 26 L HA 0.279 4.619 4.340 -0.000 0.000 0.266 26 L C -0.066 176.358 176.870 -0.742 0.000 1.002 26 L CA -1.278 53.264 54.840 -0.497 0.000 0.818 26 L CB 1.985 43.902 42.059 -0.236 0.000 1.325 26 L HN 0.243 nan 8.230 nan 0.000 0.418 27 H N 1.753 120.577 119.070 -0.411 0.000 2.969 27 H HA 0.188 4.744 4.556 -0.000 0.000 0.269 27 H C -0.279 174.921 175.328 -0.213 0.000 1.223 27 H CA 0.023 55.868 56.048 -0.338 0.000 1.400 27 H CB 1.313 30.934 29.762 -0.235 0.000 1.500 27 H HN 0.405 nan 8.280 nan 0.000 0.486 28 S N 1.794 117.411 115.700 -0.139 0.000 2.578 28 S HA 0.083 4.553 4.470 -0.000 0.000 0.301 28 S C 0.908 175.458 174.600 -0.082 0.000 1.091 28 S CA -0.928 57.208 58.200 -0.106 0.000 1.032 28 S CB 1.172 64.287 63.200 -0.141 0.000 1.064 28 S HN 0.657 nan 8.310 nan 0.000 0.508 29 D N 2.411 122.770 120.400 -0.068 0.000 2.336 29 D HA 0.173 4.813 4.640 -0.000 0.000 0.229 29 D C 0.772 177.021 176.300 -0.084 0.000 1.061 29 D CA -0.022 53.942 54.000 -0.059 0.000 0.875 29 D CB -0.591 40.184 40.800 -0.043 0.000 0.904 29 D HN 0.579 nan 8.370 nan 0.000 0.525 30 A N 1.294 124.042 122.820 -0.119 0.000 2.531 30 A HA 0.315 4.635 4.320 -0.000 0.000 0.236 30 A C -2.078 175.389 177.584 -0.196 0.000 1.062 30 A CA -0.813 51.120 52.037 -0.173 0.000 0.760 30 A CB -0.384 18.496 19.000 -0.199 0.000 0.995 30 A HN 0.101 nan 8.150 nan 0.000 0.501 31 P HA 0.371 nan 4.420 nan 0.000 0.265 31 P C -0.410 176.695 177.300 -0.325 0.000 1.193 31 P CA 0.691 63.621 63.100 -0.285 0.000 0.765 31 P CB 0.806 32.145 31.700 -0.602 0.000 0.823 32 A N 2.857 125.701 122.820 0.039 0.000 2.594 32 A HA 0.780 5.100 4.320 -0.000 0.000 0.295 32 A C -1.509 176.265 177.584 0.317 0.000 1.071 32 A CA -0.593 51.527 52.037 0.138 0.000 0.685 32 A CB 1.135 20.141 19.000 0.011 0.000 1.285 32 A HN 0.486 nan 8.150 nan 0.000 0.405 33 L N -1.077 120.330 121.223 0.307 0.000 2.434 33 L HA 0.913 5.253 4.340 -0.000 0.000 0.260 33 L C -0.261 176.651 176.870 0.070 0.000 0.983 33 L CA -0.541 54.400 54.840 0.169 0.000 0.820 33 L CB 1.833 43.964 42.059 0.120 0.000 1.361 33 L HN 0.583 nan 8.230 nan 0.000 0.410 34 S N 1.286 117.015 115.700 0.048 0.000 2.499 34 S HA 0.575 5.045 4.470 -0.000 0.000 0.279 34 S C 0.578 175.180 174.600 0.003 0.000 1.219 34 S CA -0.596 57.622 58.200 0.030 0.000 1.062 34 S CB 0.404 63.640 63.200 0.060 0.000 0.978 34 S HN 0.740 nan 8.310 nan 0.000 0.489 35 L N 3.708 124.920 121.223 -0.018 0.000 2.611 35 L HA 0.219 4.559 4.340 -0.000 0.000 0.229 35 L C 0.352 177.388 176.870 0.277 0.000 1.137 35 L CA -0.333 54.513 54.840 0.010 0.000 0.901 35 L CB -0.458 41.523 42.059 -0.130 0.000 1.098 35 L HN 0.520 nan 8.230 nan 0.000 0.456 36 N N 1.408 120.232 118.700 0.207 0.000 2.374 36 N HA 0.384 5.124 4.740 -0.000 0.000 0.241 36 N C 0.572 176.255 175.510 0.289 0.000 1.262 36 N CA 1.017 54.210 53.050 0.239 0.000 0.880 36 N CB 0.932 39.488 38.487 0.115 0.000 1.105 36 N HN 0.281 nan 8.380 nan 0.000 0.438 37 G N 0.285 109.279 108.800 0.324 0.000 2.350 37 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.276 37 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.276 37 G C -1.963 173.172 174.900 0.392 0.000 1.313 37 G CA -0.743 44.536 45.100 0.298 0.000 0.903 37 G HN 0.422 nan 8.290 nan 0.000 0.490 38 D N 0.679 121.284 120.400 0.341 0.000 2.359 38 D HA 0.485 5.125 4.640 -0.000 0.000 0.230 38 D C -0.640 175.947 176.300 0.478 0.000 1.118 38 D CA 0.155 54.359 54.000 0.340 0.000 0.844 38 D CB 0.695 41.621 40.800 0.209 0.000 1.059 38 D HN 0.265 nan 8.370 nan 0.000 0.493 39 W N 1.531 122.937 121.300 0.177 0.000 2.436 39 W HA 0.352 5.012 4.660 -0.000 0.000 0.347 39 W C 0.843 177.505 176.519 0.238 0.000 1.136 39 W CA -0.845 56.636 57.345 0.227 0.000 1.286 39 W CB 0.414 30.081 29.460 0.345 0.000 1.253 39 W HN -0.029 nan 8.180 nan 0.000 0.617 40 R N 1.510 122.278 120.500 0.446 0.000 2.537 40 R HA 0.290 4.630 4.340 -0.000 0.000 0.280 40 R C -0.961 175.699 176.300 0.600 0.000 1.058 40 R CA -0.453 55.908 56.100 0.435 0.000 1.057 40 R CB -0.652 29.792 30.300 0.240 0.000 0.973 40 R HN 0.357 nan 8.270 nan 0.000 0.438 41 F N 2.497 122.658 119.950 0.351 0.000 2.596 41 F HA 0.509 5.036 4.527 -0.000 0.000 0.311 41 F C -0.852 174.739 175.800 -0.349 0.000 1.116 41 F CA -0.940 57.014 58.000 -0.077 0.000 0.957 41 F CB 1.351 40.114 39.000 -0.395 0.000 1.250 41 F HN 0.571 nan 8.300 nan 0.000 0.444 42 R N 5.174 124.739 120.500 -1.558 0.000 2.725 42 R HA 0.788 5.128 4.340 -0.000 0.000 0.277 42 R C -2.441 172.730 176.300 -1.881 0.000 0.987 42 R CA -1.135 53.979 56.100 -1.644 0.000 0.901 42 R CB 2.067 31.382 30.300 -1.640 0.000 1.207 42 R HN 0.684 nan 8.270 nan 0.000 0.463 43 L N 3.201 123.640 121.223 -1.307 0.000 2.296 43 L HA 0.485 4.825 4.340 -0.000 0.000 0.286 43 L C -1.368 175.167 176.870 -0.559 0.000 1.023 43 L CA -0.606 53.638 54.840 -0.993 0.000 0.812 43 L CB 1.431 43.093 42.059 -0.662 0.000 1.223 43 L HN 0.672 nan 8.230 nan 0.000 0.421 44 L N 6.944 127.894 121.223 -0.455 0.000 2.334 44 L HA 0.560 4.900 4.340 -0.000 0.000 0.275 44 L C -1.424 175.366 176.870 -0.134 0.000 1.036 44 L CA -1.522 53.171 54.840 -0.246 0.000 0.807 44 L CB 1.503 43.449 42.059 -0.188 0.000 1.231 44 L HN 0.500 nan 8.230 nan 0.000 0.438 45 P HA 0.056 nan 4.420 nan 0.000 0.241 45 P C -0.143 177.187 177.300 0.050 0.000 1.191 45 P CA 0.537 63.641 63.100 0.007 0.000 0.771 45 P CB 0.645 32.353 31.700 0.014 0.000 0.929 46 A N -0.664 122.182 122.820 0.043 0.000 2.602 46 A HA 0.697 5.017 4.320 -0.000 0.000 0.290 46 A C -1.244 176.401 177.584 0.102 0.000 1.114 46 A CA -0.546 51.539 52.037 0.080 0.000 0.683 46 A CB 0.931 19.968 19.000 0.061 0.000 1.281 46 A HN 0.001 nan 8.150 nan 0.000 0.416 47 A N 1.606 124.506 122.820 0.133 0.000 2.347 47 A HA 0.652 4.972 4.320 -0.000 0.000 0.287 47 A C -2.559 175.104 177.584 0.131 0.000 1.199 47 A CA -1.319 50.834 52.037 0.194 0.000 0.851 47 A CB -0.647 18.407 19.000 0.092 0.000 1.118 47 A HN 0.435 nan 8.150 nan 0.000 0.525 48 P HA 0.216 nan 4.420 nan 0.000 0.264 48 P C 1.168 178.535 177.300 0.112 0.000 1.183 48 P CA 1.937 65.103 63.100 0.109 0.000 0.763 48 P CB 0.706 32.473 31.700 0.112 0.000 0.807 49 G N 1.269 110.115 108.800 0.077 0.000 2.199 49 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.254 49 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.254 49 G C 0.377 175.302 174.900 0.041 0.000 0.982 49 G CA 0.345 45.486 45.100 0.068 0.000 0.632 49 G HN 0.802 nan 8.290 nan 0.000 0.529 50 T N -1.562 113.009 114.554 0.028 0.000 2.868 50 T HA 0.702 5.052 4.350 -0.000 0.000 0.292 50 T C 1.722 176.429 174.700 0.011 0.000 1.028 50 T CA 0.493 62.596 62.100 0.005 0.000 1.059 50 T CB 1.765 70.627 68.868 -0.011 0.000 0.991 50 T HN 1.413 nan 8.240 nan 0.000 0.531 51 A N 1.722 124.543 122.820 0.003 0.000 1.940 51 A HA 0.166 4.486 4.320 -0.000 0.000 0.219 51 A C 2.191 179.778 177.584 0.005 0.000 1.176 51 A CA 1.373 53.411 52.037 0.003 0.000 0.631 51 A CB -1.279 17.718 19.000 -0.006 0.000 0.814 51 A HN 1.129 nan 8.150 nan 0.000 0.446 52 G N -1.794 107.010 108.800 0.006 0.000 3.383 52 G HA2 0.421 4.381 3.960 -0.000 0.000 0.251 52 G HA3 0.421 4.381 3.960 -0.000 0.000 0.251 52 G C 0.442 175.354 174.900 0.019 0.000 1.203 52 G CA 0.683 45.789 45.100 0.011 0.000 0.852 52 G HN 0.901 nan 8.290 nan 0.000 0.531 53 A N -0.159 122.674 122.820 0.021 0.000 2.674 53 A HA 0.597 4.917 4.320 -0.000 0.000 0.286 53 A C 1.810 179.408 177.584 0.024 0.000 0.980 53 A CA 0.522 52.575 52.037 0.026 0.000 1.028 53 A CB 0.073 19.094 19.000 0.036 0.000 1.199 53 A HN 0.282 nan 8.150 nan 0.000 0.499 54 G N 0.695 109.506 108.800 0.019 0.000 2.450 54 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.220 54 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.220 54 G C 0.949 175.859 174.900 0.018 0.000 1.130 54 G CA 1.525 46.635 45.100 0.018 0.000 0.760 54 G HN 1.050 nan 8.290 nan 0.000 0.557 55 S N -0.636 115.074 115.700 0.015 0.000 2.668 55 S HA 0.376 4.846 4.470 -0.000 0.000 0.244 55 S C 0.910 175.516 174.600 0.009 0.000 1.140 55 S CA -0.038 58.170 58.200 0.013 0.000 1.134 55 S CB 0.954 64.160 63.200 0.010 0.000 0.954 55 S HN 0.057 nan 8.310 nan 0.000 0.490 56 V N 1.284 121.204 119.914 0.011 0.000 2.453 56 V HA 0.236 4.356 4.120 -0.000 0.000 0.247 56 V C 0.630 176.719 176.094 -0.008 0.000 1.048 56 V CA 1.245 63.546 62.300 0.002 0.000 1.049 56 V CB -0.265 31.563 31.823 0.009 0.000 0.672 56 V HN 0.646 nan 8.190 nan 0.000 0.457 57 L N 0.653 121.880 121.223 0.006 0.000 2.421 57 L HA 0.405 4.745 4.340 -0.000 0.000 0.263 57 L C -1.938 174.944 176.870 0.019 0.000 1.122 57 L CA -1.880 52.967 54.840 0.012 0.000 0.804 57 L CB 0.185 42.264 42.059 0.033 0.000 1.150 57 L HN 0.097 nan 8.230 nan 0.000 0.457 58 P HA 0.047 nan 4.420 nan 0.000 0.269 58 P C -0.739 176.581 177.300 0.033 0.000 1.209 58 P CA -0.221 62.898 63.100 0.032 0.000 0.776 58 P CB 0.420 32.151 31.700 0.052 0.000 0.876 59 S N 1.480 117.193 115.700 0.021 0.000 2.593 59 S HA 0.259 4.729 4.470 -0.000 0.000 0.300 59 S C 1.592 176.204 174.600 0.021 0.000 1.267 59 S CA 1.137 59.347 58.200 0.018 0.000 1.065 59 S CB -0.602 62.605 63.200 0.010 0.000 0.807 59 S HN 0.933 nan 8.310 nan 0.000 0.499 60 G N 2.327 111.140 108.800 0.022 0.000 2.225 60 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.254 60 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.254 60 G C -0.061 174.862 174.900 0.037 0.000 0.988 60 G CA 0.286 45.399 45.100 0.022 0.000 0.625 60 G HN 0.719 nan 8.290 nan 0.000 0.527 61 E N 2.082 122.317 120.200 0.058 0.000 2.289 61 E HA 0.486 4.836 4.350 -0.000 0.000 0.278 61 E C 1.175 177.811 176.600 0.061 0.000 1.032 61 E CA 0.217 56.672 56.400 0.092 0.000 0.854 61 E CB 0.450 30.240 29.700 0.150 0.000 1.046 61 E HN 0.420 nan 8.360 nan 0.000 0.409 62 T N 0.193 114.777 114.554 0.049 0.000 2.788 62 T HA 0.073 4.422 4.350 -0.000 0.000 0.287 62 T C 1.441 176.154 174.700 0.021 0.000 1.007 62 T CA -0.794 61.323 62.100 0.030 0.000 1.005 62 T CB 1.272 70.151 68.868 0.019 0.000 1.012 62 T HN 0.276 nan 8.240 nan 0.000 0.530 63 V N 1.235 121.169 119.914 0.033 0.000 2.332 63 V HA -0.122 3.998 4.120 -0.000 0.000 0.248 63 V C 2.136 178.249 176.094 0.033 0.000 1.055 63 V CA 1.986 64.318 62.300 0.053 0.000 1.038 63 V CB -0.821 31.053 31.823 0.085 0.000 0.651 63 V HN 0.971 nan 8.190 nan 0.000 0.450 64 E N -0.655 119.540 120.200 -0.007 0.000 2.569 64 E HA 0.209 4.559 4.350 -0.000 0.000 0.205 64 E C 1.889 178.305 176.600 -0.307 0.000 1.006 64 E CA 0.415 56.731 56.400 -0.140 0.000 0.985 64 E CB 0.523 30.235 29.700 0.019 0.000 1.060 64 E HN 0.557 nan 8.360 nan 0.000 0.460 65 G N 1.152 109.844 108.800 -0.180 0.000 2.475 65 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.220 65 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.220 65 G C 1.588 176.294 174.900 -0.323 0.000 1.125 65 G CA 0.562 45.573 45.100 -0.148 0.000 0.755 65 G HN 0.290 nan 8.290 nan 0.000 0.565 66 V N 1.124 120.698 119.914 -0.566 0.000 2.546 66 V HA -0.086 4.034 4.120 -0.000 0.000 0.254 66 V C 3.011 178.662 176.094 -0.739 0.000 1.076 66 V CA 2.323 64.061 62.300 -0.935 0.000 1.087 66 V CB -0.466 30.998 31.823 -0.598 0.000 0.674 66 V HN 0.451 nan 8.190 nan 0.000 0.470 67 A N -0.340 122.009 122.820 -0.785 0.000 2.066 67 A HA 0.409 4.729 4.320 -0.000 0.000 0.218 67 A C 1.434 178.800 177.584 -0.362 0.000 1.157 67 A CA 0.855 52.430 52.037 -0.771 0.000 0.670 67 A CB -0.527 17.559 19.000 -1.524 0.000 0.804 67 A HN 0.813 nan 8.150 nan 0.000 0.453 68 A N 0.125 122.782 122.820 -0.272 0.000 2.462 68 A HA 0.322 4.642 4.320 -0.000 0.000 0.243 68 A C 0.829 178.378 177.584 -0.057 0.000 1.076 68 A CA -0.026 51.942 52.037 -0.114 0.000 0.773 68 A CB 0.119 19.088 19.000 -0.052 0.000 1.010 68 A HN 0.510 nan 8.150 nan 0.000 0.493 69 E N 1.256 121.428 120.200 -0.047 0.000 2.204 69 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 69 E C 1.937 178.515 176.600 -0.037 0.000 0.990 69 E CA 1.482 57.855 56.400 -0.045 0.000 0.821 69 E CB -0.051 29.619 29.700 -0.049 0.000 0.750 69 E HN 0.899 nan 8.360 nan 0.000 0.477 70 S N -0.096 115.589 115.700 -0.024 0.000 2.522 70 S HA -0.127 4.343 4.470 -0.000 0.000 0.227 70 S C 0.658 175.240 174.600 -0.030 0.000 0.986 70 S CA -0.155 58.026 58.200 -0.032 0.000 0.929 70 S CB -0.394 62.788 63.200 -0.030 0.000 0.769 70 S HN 0.242 nan 8.310 nan 0.000 0.529 71 Y N 3.171 123.392 120.300 -0.132 0.000 2.620 71 Y HA 0.281 4.831 4.550 -0.000 0.000 0.330 71 Y C 0.004 175.790 175.900 -0.189 0.000 1.186 71 Y CA -0.377 57.630 58.100 -0.154 0.000 1.467 71 Y CB 0.332 38.679 38.460 -0.188 0.000 1.262 71 Y HN 0.134 nan 8.280 nan 0.000 0.550 72 D N 4.484 124.480 120.400 -0.674 0.000 2.329 72 D HA 0.127 4.767 4.640 -0.000 0.000 0.232 72 D C -0.662 175.294 176.300 -0.574 0.000 1.088 72 D CA -0.577 53.141 54.000 -0.470 0.000 0.835 72 D CB 0.668 41.264 40.800 -0.339 0.000 1.078 72 D HN 0.611 nan 8.370 nan 0.000 0.495 73 D N 2.570 122.702 120.400 -0.448 0.000 2.538 73 D HA 0.164 4.804 4.640 -0.000 0.000 0.231 73 D C 1.389 177.488 176.300 -0.334 0.000 1.229 73 D CA -0.316 53.230 54.000 -0.756 0.000 0.828 73 D CB 0.110 40.145 40.800 -1.274 0.000 1.035 73 D HN 0.271 nan 8.370 nan 0.000 0.495 74 A N 0.945 123.669 122.820 -0.160 0.000 1.948 74 A HA 0.010 4.330 4.320 -0.000 0.000 0.220 74 A C 2.247 179.866 177.584 0.057 0.000 1.177 74 A CA 1.841 53.851 52.037 -0.045 0.000 0.636 74 A CB -0.634 18.337 19.000 -0.048 0.000 0.815 74 A HN 0.419 nan 8.150 nan 0.000 0.449 75 A N -2.106 120.790 122.820 0.128 0.000 2.208 75 A HA 0.253 4.573 4.320 -0.000 0.000 0.209 75 A C 0.291 178.062 177.584 0.312 0.000 1.161 75 A CA -0.303 51.847 52.037 0.188 0.000 0.782 75 A CB -0.354 18.739 19.000 0.154 0.000 0.816 75 A HN 0.540 nan 8.150 nan 0.000 0.477 76 W N 1.625 122.947 121.300 0.036 0.000 2.158 76 W HA 0.295 4.955 4.660 -0.000 0.000 0.339 76 W C 0.034 176.599 176.519 0.077 0.000 1.294 76 W CA -0.995 56.379 57.345 0.049 0.000 1.231 76 W CB 0.111 29.603 29.460 0.052 0.000 1.143 76 W HN 0.164 nan 8.180 nan 0.000 0.571 77 D N 0.238 120.810 120.400 0.288 0.000 2.372 77 D HA 0.158 4.797 4.640 -0.000 0.000 0.243 77 D C 0.410 176.898 176.300 0.314 0.000 1.297 77 D CA 0.472 54.631 54.000 0.265 0.000 0.958 77 D CB 0.463 41.437 40.800 0.290 0.000 1.114 77 D HN 0.265 nan 8.370 nan 0.000 0.496 78 T N -2.043 112.671 114.554 0.267 0.000 2.924 78 T HA 0.676 5.026 4.350 -0.000 0.000 0.291 78 T C -0.427 174.393 174.700 0.201 0.000 1.045 78 T CA -0.987 61.272 62.100 0.265 0.000 1.015 78 T CB 1.448 70.452 68.868 0.226 0.000 1.103 78 T HN 0.225 nan 8.240 nan 0.000 0.496 79 L N 1.687 123.000 121.223 0.149 0.000 2.431 79 L HA 0.542 4.882 4.340 -0.000 0.000 0.266 79 L C -2.790 174.115 176.870 0.058 0.000 0.978 79 L CA -2.498 52.332 54.840 -0.017 0.000 0.822 79 L CB 2.816 44.609 42.059 -0.443 0.000 1.310 79 L HN 0.538 nan 8.230 nan 0.000 0.409 80 P HA 0.135 nan 4.420 nan 0.000 0.268 80 P C -1.020 176.255 177.300 -0.041 0.000 1.205 80 P CA -0.115 63.009 63.100 0.041 0.000 0.771 80 P CB 0.948 32.664 31.700 0.026 0.000 0.858 81 V N 5.425 125.285 119.914 -0.090 0.000 2.483 81 V HA 0.366 4.486 4.120 -0.000 0.000 0.297 81 V C -2.161 173.861 176.094 -0.121 0.000 1.027 81 V CA -1.991 60.146 62.300 -0.271 0.000 0.855 81 V CB 2.050 33.369 31.823 -0.840 0.000 0.995 81 V HN 0.542 nan 8.190 nan 0.000 0.424 82 P HA 0.409 nan 4.420 nan 0.000 0.280 82 P C -0.634 176.588 177.300 -0.131 0.000 1.244 82 P CA 0.102 63.102 63.100 -0.167 0.000 0.784 82 P CB 1.600 33.222 31.700 -0.129 0.000 0.913 83 S N 1.424 117.025 115.700 -0.165 0.000 2.636 83 S HA 0.378 4.848 4.470 -0.000 0.000 0.266 83 S C -1.114 173.344 174.600 -0.238 0.000 1.147 83 S CA -0.919 57.184 58.200 -0.162 0.000 0.815 83 S CB 1.028 64.190 63.200 -0.063 0.000 1.119 83 S HN 0.478 nan 8.310 nan 0.000 0.470 84 H N 0.624 119.681 119.070 -0.021 0.000 2.458 84 H HA 0.267 4.823 4.556 -0.000 0.000 0.330 84 H C 0.336 175.624 175.328 -0.066 0.000 1.111 84 H CA -0.196 55.783 56.048 -0.115 0.000 1.245 84 H CB 0.840 30.486 29.762 -0.193 0.000 1.456 84 H HN 0.955 nan 8.280 nan 0.000 0.488 85 W N 3.000 124.328 121.300 0.046 0.000 2.525 85 W HA -0.043 4.617 4.660 -0.000 0.000 0.259 85 W C 0.947 177.512 176.519 0.076 0.000 1.253 85 W CA 0.661 57.969 57.345 -0.061 0.000 1.262 85 W CB -0.822 28.500 29.460 -0.231 0.000 1.122 85 W HN 0.291 nan 8.180 nan 0.000 0.607 86 V N -1.375 118.587 119.914 0.081 0.000 3.646 86 V HA 0.243 4.363 4.120 -0.000 0.000 0.277 86 V C 0.457 176.504 176.094 -0.078 0.000 1.274 86 V CA 0.106 62.428 62.300 0.036 0.000 1.164 86 V CB -0.936 30.821 31.823 -0.110 0.000 0.926 86 V HN 0.122 nan 8.190 nan 0.000 0.442 87 M N 0.796 120.391 119.600 -0.009 0.000 2.464 87 M HA 0.662 5.142 4.480 -0.000 0.000 0.308 87 M C 0.983 177.292 176.300 0.015 0.000 1.127 87 M CA 0.512 55.789 55.300 -0.038 0.000 0.913 87 M CB 1.182 33.788 32.600 0.009 0.000 1.689 87 M HN 0.388 nan 8.290 nan 0.000 0.445 88 G N 1.967 110.762 108.800 -0.009 0.000 2.153 88 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.252 88 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.252 88 G C 0.237 175.148 174.900 0.018 0.000 0.994 88 G CA 0.164 45.270 45.100 0.010 0.000 0.698 88 G HN 0.636 nan 8.290 nan 0.000 0.521 89 Q N -0.132 119.674 119.800 0.009 0.000 2.118 89 Q HA 0.189 4.529 4.340 -0.000 0.000 0.219 89 Q C 0.530 176.496 176.000 -0.057 0.000 0.794 89 Q CA 0.253 56.056 55.803 -0.001 0.000 1.035 89 Q CB 0.532 29.308 28.738 0.062 0.000 1.177 89 Q HN 0.557 nan 8.270 nan 0.000 0.478 90 D N 0.674 121.044 120.400 -0.049 0.000 2.837 90 D HA -0.201 4.439 4.640 -0.000 0.000 0.230 90 D C 0.867 177.130 176.300 -0.062 0.000 1.152 90 D CA 1.436 55.405 54.000 -0.052 0.000 0.736 90 D CB -1.088 39.685 40.800 -0.046 0.000 1.084 90 D HN 0.616 nan 8.370 nan 0.000 0.429 91 G N 0.264 109.018 108.800 -0.076 0.000 2.159 91 G HA2 -0.445 3.515 3.960 -0.000 0.000 0.256 91 G HA3 -0.445 3.515 3.960 -0.000 0.000 0.256 91 G C 0.973 175.823 174.900 -0.084 0.000 0.977 91 G CA 1.206 46.267 45.100 -0.066 0.000 0.652 91 G HN 0.564 nan 8.290 nan 0.000 0.531 92 K N -0.486 119.802 120.400 -0.187 0.000 2.103 92 K HA -0.032 4.287 4.320 -0.000 0.000 0.207 92 K C 1.152 177.500 176.600 -0.419 0.000 1.048 92 K CA 1.559 57.614 56.287 -0.388 0.000 0.930 92 K CB -0.155 31.945 32.500 -0.668 0.000 0.716 92 K HN 0.577 nan 8.250 nan 0.000 0.444 93 Y N 0.345 120.694 120.300 0.083 0.000 2.774 93 Y HA 0.288 4.838 4.550 -0.000 0.000 0.305 93 Y C 0.551 176.568 175.900 0.195 0.000 1.067 93 Y CA -0.409 57.768 58.100 0.128 0.000 1.304 93 Y CB 0.988 39.570 38.460 0.204 0.000 1.209 93 Y HN 0.309 nan 8.280 nan 0.000 0.543 94 G N 0.874 109.789 108.800 0.191 0.000 2.698 94 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.225 94 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.225 94 G C -0.968 173.961 174.900 0.048 0.000 1.345 94 G CA -1.096 44.093 45.100 0.149 0.000 0.871 94 G HN 0.158 nan 8.290 nan 0.000 0.540 95 R N -0.354 120.139 120.500 -0.012 0.000 2.867 95 R HA 0.640 4.980 4.340 -0.000 0.000 0.268 95 R C -2.558 173.639 176.300 -0.172 0.000 1.014 95 R CA -1.653 54.294 56.100 -0.255 0.000 0.946 95 R CB 1.049 31.111 30.300 -0.397 0.000 1.208 95 R HN 0.431 nan 8.270 nan 0.000 0.477 96 P HA 0.194 nan 4.420 nan 0.000 0.269 96 P C -0.490 177.060 177.300 0.417 0.000 1.217 96 P CA 0.147 63.219 63.100 -0.046 0.000 0.783 96 P CB 0.461 31.876 31.700 -0.475 0.000 0.898 97 I N 1.808 122.794 120.570 0.693 0.000 2.466 97 I HA 0.267 4.437 4.170 -0.000 0.000 0.289 97 I C -0.916 175.722 176.117 0.868 0.000 1.026 97 I CA -0.875 60.865 61.300 0.733 0.000 1.078 97 I CB 1.475 39.799 38.000 0.540 0.000 1.249 97 I HN 0.287 nan 8.210 nan 0.000 0.429 98 Y N 6.997 127.573 120.300 0.461 0.000 2.331 98 Y HA 0.626 5.176 4.550 -0.000 0.000 0.338 98 Y C -0.144 175.855 175.900 0.165 0.000 0.976 98 Y CA -0.688 57.425 58.100 0.022 0.000 1.137 98 Y CB 1.173 39.166 38.460 -0.779 0.000 1.172 98 Y HN 0.611 nan 8.280 nan 0.000 0.478 99 T N 2.502 116.785 114.554 -0.451 0.000 2.907 99 T HA 0.321 4.671 4.350 -0.000 0.000 0.292 99 T C -0.005 174.195 174.700 -0.834 0.000 1.043 99 T CA -0.848 60.896 62.100 -0.593 0.000 1.003 99 T CB 1.906 70.731 68.868 -0.071 0.000 1.084 99 T HN 0.633 nan 8.240 nan 0.000 0.483 100 N N 0.832 119.122 118.700 -0.684 0.000 2.349 100 N HA 0.053 4.793 4.740 -0.000 0.000 0.202 100 N C 1.494 176.822 175.510 -0.303 0.000 1.041 100 N CA 0.992 53.811 53.050 -0.385 0.000 0.970 100 N CB -0.613 37.696 38.487 -0.296 0.000 1.173 100 N HN 0.440 nan 8.380 nan 0.000 0.493 101 V N 1.639 121.324 119.914 -0.381 0.000 2.672 101 V HA 0.053 4.173 4.120 -0.000 0.000 0.242 101 V C 0.740 176.537 176.094 -0.495 0.000 1.059 101 V CA 0.452 62.453 62.300 -0.498 0.000 1.081 101 V CB -0.607 30.797 31.823 -0.699 0.000 0.752 101 V HN 0.549 nan 8.190 nan 0.000 0.472 102 Q N 0.270 119.824 119.800 -0.410 0.000 2.330 102 Q HA 0.060 4.400 4.340 -0.000 0.000 0.279 102 Q C -1.149 174.624 176.000 -0.380 0.000 1.024 102 Q CA -0.073 55.507 55.803 -0.372 0.000 0.900 102 Q CB 0.132 28.696 28.738 -0.291 0.000 1.221 102 Q HN 0.503 nan 8.270 nan 0.000 0.396 103 Y N 3.159 123.211 120.300 -0.414 0.000 2.411 103 Y HA 0.108 4.658 4.550 -0.000 0.000 0.333 103 Y C -1.275 174.133 175.900 -0.820 0.000 1.186 103 Y CA -1.988 55.677 58.100 -0.726 0.000 1.381 103 Y CB 0.587 38.369 38.460 -1.130 0.000 1.273 103 Y HN 0.633 nan 8.280 nan 0.000 0.546 104 P HA 0.030 nan 4.420 nan 0.000 0.255 104 P C -1.075 175.806 177.300 -0.698 0.000 1.301 104 P CA 0.548 63.244 63.100 -0.673 0.000 0.817 104 P CB -0.381 30.934 31.700 -0.642 0.000 1.259 105 F N -2.633 116.995 119.950 -0.536 0.000 2.643 105 F HA 0.781 5.308 4.527 0.000 0.000 0.314 105 F C -2.933 172.669 175.800 -0.330 0.000 1.096 105 F CA -3.569 54.119 58.000 -0.521 0.000 0.953 105 F CB -0.477 38.045 39.000 -0.796 0.000 1.345 105 F HN -0.430 nan 8.300 nan 0.000 0.468 106 P HA 0.188 nan 4.420 nan 0.000 0.267 106 P C -0.406 176.943 177.300 0.081 0.000 1.200 106 P CA 0.006 63.109 63.100 0.005 0.000 0.772 106 P CB 0.572 32.285 31.700 0.021 0.000 0.855 107 I N 2.478 123.046 120.570 -0.005 0.000 2.243 107 I HA 0.086 4.256 4.170 -0.000 0.000 0.297 107 I C 0.466 176.633 176.117 0.083 0.000 1.161 107 I CA 0.706 62.002 61.300 -0.005 0.000 1.298 107 I CB -0.319 37.547 38.000 -0.222 0.000 1.475 107 I HN 0.217 nan 8.210 nan 0.000 0.561 108 D N 7.446 127.982 120.400 0.227 0.000 2.772 108 D HA 0.222 4.862 4.640 -0.000 0.000 0.326 108 D C -2.528 173.856 176.300 0.140 0.000 1.207 108 D CA -1.774 52.336 54.000 0.183 0.000 0.777 108 D CB 1.192 42.103 40.800 0.186 0.000 1.169 108 D HN 0.112 nan 8.370 nan 0.000 0.506 109 P HA 0.196 nan 4.420 nan 0.000 0.271 109 P C -2.181 174.948 177.300 -0.286 0.000 1.216 109 P CA -1.018 61.749 63.100 -0.555 0.000 0.776 109 P CB 0.790 32.207 31.700 -0.472 0.000 0.881 110 P HA 0.109 nan 4.420 nan 0.000 0.254 110 P C -0.068 177.131 177.300 -0.169 0.000 1.494 110 P CA 0.141 63.052 63.100 -0.314 0.000 0.961 110 P CB -0.053 31.431 31.700 -0.360 0.000 1.493 111 H N 0.534 119.661 119.070 0.094 0.000 2.562 111 H HA 0.336 4.892 4.556 -0.000 0.000 0.352 111 H C 0.699 176.054 175.328 0.044 0.000 1.125 111 H CA -0.319 55.762 56.048 0.054 0.000 1.379 111 H CB 1.968 31.739 29.762 0.015 0.000 1.464 111 H HN -0.053 nan 8.280 nan 0.000 0.563 112 V N -0.091 119.844 119.914 0.035 0.000 3.126 112 V HA 0.552 4.672 4.120 -0.000 0.000 0.314 112 V C -2.550 173.488 176.094 -0.093 0.000 1.138 112 V CA -2.461 59.723 62.300 -0.192 0.000 1.034 112 V CB 1.296 32.971 31.823 -0.246 0.000 1.075 112 V HN 0.496 nan 8.190 nan 0.000 0.442 113 P HA 0.331 nan 4.420 nan 0.000 0.272 113 P C -0.084 177.249 177.300 0.054 0.000 1.230 113 P CA -0.132 62.950 63.100 -0.030 0.000 0.788 113 P CB 0.504 32.176 31.700 -0.046 0.000 0.949 114 D N 0.397 120.827 120.400 0.050 0.000 2.144 114 D HA -0.064 4.576 4.640 -0.000 0.000 0.200 114 D C 0.713 177.074 176.300 0.103 0.000 0.978 114 D CA 1.035 55.072 54.000 0.061 0.000 0.833 114 D CB -0.436 40.387 40.800 0.038 0.000 0.961 114 D HN 0.394 nan 8.370 nan 0.000 0.470 115 A N 1.032 123.928 122.820 0.128 0.000 2.544 115 A HA 0.234 4.554 4.320 -0.000 0.000 0.301 115 A C 0.029 177.783 177.584 0.284 0.000 1.368 115 A CA -0.059 52.079 52.037 0.169 0.000 1.045 115 A CB -0.360 18.737 19.000 0.162 0.000 1.129 115 A HN 0.017 nan 8.150 nan 0.000 0.540 116 N N 3.351 122.195 118.700 0.240 0.000 2.685 116 N HA 0.316 5.056 4.740 -0.000 0.000 0.252 116 N C -3.412 172.202 175.510 0.173 0.000 1.261 116 N CA -1.757 51.459 53.050 0.277 0.000 0.768 116 N CB 1.545 40.201 38.487 0.282 0.000 1.304 116 N HN 0.107 nan 8.380 nan 0.000 0.536 117 P HA 0.052 nan 4.420 nan 0.000 0.260 117 P C -0.844 176.572 177.300 0.194 0.000 1.185 117 P CA 0.568 63.759 63.100 0.152 0.000 0.763 117 P CB 0.464 32.340 31.700 0.294 0.000 0.776 118 T N 3.083 117.625 114.554 -0.019 0.000 2.840 118 T HA 0.546 4.896 4.350 -0.000 0.000 0.287 118 T C 0.194 174.642 174.700 -0.421 0.000 0.991 118 T CA -0.558 61.506 62.100 -0.060 0.000 0.964 118 T CB 1.395 70.294 68.868 0.051 0.000 0.954 118 T HN 0.315 nan 8.240 nan 0.000 0.438 119 G N 2.135 110.657 108.800 -0.464 0.000 2.335 119 G HA2 0.547 4.507 3.960 -0.000 0.000 0.316 119 G HA3 0.547 4.507 3.960 -0.000 0.000 0.316 119 G C -0.978 173.781 174.900 -0.235 0.000 1.129 119 G CA -0.572 44.096 45.100 -0.720 0.000 0.899 119 G HN 0.525 nan 8.290 nan 0.000 0.448 120 D N 1.209 121.311 120.400 -0.497 0.000 2.233 120 D HA 0.470 5.110 4.640 -0.000 0.000 0.240 120 D C -0.702 175.642 176.300 0.073 0.000 1.074 120 D CA 0.178 54.162 54.000 -0.027 0.000 0.838 120 D CB 1.662 42.466 40.800 0.007 0.000 1.124 120 D HN 0.130 nan 8.370 nan 0.000 0.475 121 F N 1.475 121.656 119.950 0.384 0.000 2.507 121 F HA 0.479 5.006 4.527 -0.000 0.000 0.325 121 F C 0.595 176.733 175.800 0.564 0.000 1.116 121 F CA -0.811 57.538 58.000 0.582 0.000 0.930 121 F CB 1.687 41.029 39.000 0.570 0.000 1.146 121 F HN -0.108 nan 8.300 nan 0.000 0.447 122 R N 2.114 123.001 120.500 0.644 0.000 2.532 122 R HA 0.718 5.058 4.340 -0.000 0.000 0.297 122 R C -1.250 175.102 176.300 0.086 0.000 0.984 122 R CA -1.201 55.061 56.100 0.270 0.000 0.884 122 R CB 2.718 33.016 30.300 -0.003 0.000 1.182 122 R HN 0.465 nan 8.270 nan 0.000 0.442 123 R N 2.202 122.606 120.500 -0.160 0.000 2.538 123 R HA 0.382 4.722 4.340 -0.000 0.000 0.292 123 R C -1.380 174.833 176.300 -0.146 0.000 1.008 123 R CA -0.763 55.067 56.100 -0.450 0.000 0.896 123 R CB 1.116 30.555 30.300 -1.435 0.000 1.187 123 R HN 0.472 nan 8.270 nan 0.000 0.440 124 R N 3.616 124.052 120.500 -0.107 0.000 2.474 124 R HA 0.655 4.995 4.340 -0.000 0.000 0.295 124 R C -0.856 175.459 176.300 0.025 0.000 0.980 124 R CA -0.266 55.783 56.100 -0.086 0.000 0.934 124 R CB 0.955 31.183 30.300 -0.120 0.000 1.101 124 R HN 0.641 nan 8.270 nan 0.000 0.469 125 F N -2.211 117.651 119.950 -0.147 0.000 2.693 125 F HA 0.506 5.033 4.527 -0.000 0.000 0.309 125 F C -1.377 174.355 175.800 -0.114 0.000 1.129 125 F CA -1.365 56.554 58.000 -0.134 0.000 0.948 125 F CB 1.560 40.471 39.000 -0.149 0.000 1.315 125 F HN 0.190 nan 8.300 nan 0.000 0.447 126 D N 1.909 122.308 120.400 -0.001 0.000 2.168 126 D HA 0.521 5.161 4.640 -0.000 0.000 0.246 126 D C -0.822 175.427 176.300 -0.086 0.000 1.050 126 D CA -0.239 53.701 54.000 -0.100 0.000 0.857 126 D CB 2.665 43.411 40.800 -0.090 0.000 1.169 126 D HN 0.429 nan 8.370 nan 0.000 0.453 127 V N 3.758 123.590 119.914 -0.136 0.000 2.384 127 V HA 0.274 4.394 4.120 -0.000 0.000 0.287 127 V C -2.179 173.759 176.094 -0.260 0.000 1.020 127 V CA -1.822 60.322 62.300 -0.260 0.000 0.850 127 V CB 1.712 33.539 31.823 0.006 0.000 0.987 127 V HN 0.347 nan 8.190 nan 0.000 0.436 128 P HA 0.064 nan 4.420 nan 0.000 0.265 128 P C 0.732 178.053 177.300 0.034 0.000 1.187 128 P CA 0.185 63.120 63.100 -0.274 0.000 0.766 128 P CB 0.778 32.252 31.700 -0.376 0.000 0.820 129 A N 3.293 126.185 122.820 0.120 0.000 1.978 129 A HA -0.262 4.058 4.320 -0.000 0.000 0.220 129 A C 2.088 179.866 177.584 0.322 0.000 1.170 129 A CA 1.464 53.645 52.037 0.240 0.000 0.636 129 A CB -1.098 17.967 19.000 0.108 0.000 0.810 129 A HN 0.618 nan 8.150 nan 0.000 0.448 130 Q N -1.678 118.272 119.800 0.249 0.000 2.234 130 Q HA -0.217 4.123 4.340 -0.000 0.000 0.206 130 Q C 1.379 177.584 176.000 0.342 0.000 0.980 130 Q CA 1.377 57.342 55.803 0.271 0.000 0.869 130 Q CB -0.165 28.727 28.738 0.256 0.000 0.912 130 Q HN 0.913 nan 8.270 nan 0.000 0.436 131 W N -1.054 120.237 121.300 -0.015 0.000 2.825 131 W HA -0.030 4.630 4.660 -0.000 0.000 0.243 131 W C 0.878 177.162 176.519 -0.392 0.000 1.293 131 W CA 0.350 57.559 57.345 -0.227 0.000 1.403 131 W CB -0.309 28.936 29.460 -0.358 0.000 1.134 131 W HN 0.128 nan 8.180 nan 0.000 0.666 132 F N -0.158 119.928 119.950 0.227 0.000 2.695 132 F HA 0.164 4.691 4.527 -0.000 0.000 0.303 132 F C 1.049 176.902 175.800 0.089 0.000 1.091 132 F CA -0.285 57.796 58.000 0.134 0.000 1.300 132 F CB -0.422 38.640 39.000 0.103 0.000 1.071 132 F HN -0.278 nan 8.300 nan 0.000 0.578 133 E N 0.219 120.541 120.200 0.204 0.000 2.408 133 E HA 0.006 4.356 4.350 -0.000 0.000 0.259 133 E C 1.325 177.971 176.600 0.076 0.000 1.110 133 E CA 0.473 56.948 56.400 0.126 0.000 0.929 133 E CB 0.672 30.433 29.700 0.102 0.000 0.971 133 E HN 0.135 nan 8.360 nan 0.000 0.438 134 S N 0.214 115.949 115.700 0.059 0.000 2.500 134 S HA -0.162 4.308 4.470 -0.000 0.000 0.239 134 S C 1.660 176.267 174.600 0.013 0.000 0.989 134 S CA 1.409 59.632 58.200 0.038 0.000 0.951 134 S CB -0.662 62.559 63.200 0.035 0.000 0.759 134 S HN 0.655 nan 8.310 nan 0.000 0.523 135 T N -1.378 113.180 114.554 0.006 0.000 3.007 135 T HA 0.052 4.402 4.350 -0.000 0.000 0.270 135 T C 0.642 175.307 174.700 -0.057 0.000 1.107 135 T CA 0.758 62.845 62.100 -0.021 0.000 1.118 135 T CB -0.594 68.262 68.868 -0.018 0.000 0.889 135 T HN 0.347 nan 8.240 nan 0.000 0.506 136 T N 1.442 115.959 114.554 -0.062 0.000 2.758 136 T HA 0.681 5.031 4.350 -0.000 0.000 0.285 136 T C 1.154 175.812 174.700 -0.070 0.000 0.981 136 T CA -0.290 61.743 62.100 -0.112 0.000 0.965 136 T CB 1.579 70.344 68.868 -0.172 0.000 0.927 136 T HN 0.220 nan 8.240 nan 0.000 0.448 137 A N 2.743 125.518 122.820 -0.075 0.000 1.984 137 A HA 0.727 5.047 4.320 -0.000 0.000 0.214 137 A C 1.068 178.632 177.584 -0.033 0.000 1.173 137 A CA 0.584 52.597 52.037 -0.040 0.000 0.673 137 A CB 0.093 19.070 19.000 -0.038 0.000 0.830 137 A HN 0.976 nan 8.150 nan 0.000 0.453 138 A N -1.539 121.243 122.820 -0.063 0.000 2.612 138 A HA 0.616 4.936 4.320 -0.000 0.000 0.293 138 A C -2.019 175.519 177.584 -0.076 0.000 1.075 138 A CA -0.426 51.585 52.037 -0.042 0.000 0.680 138 A CB 0.679 19.665 19.000 -0.024 0.000 1.279 138 A HN 0.235 nan 8.150 nan 0.000 0.411 139 L N 1.066 122.271 121.223 -0.029 0.000 2.356 139 L HA 0.742 5.082 4.340 -0.000 0.000 0.277 139 L C -0.058 176.833 176.870 0.034 0.000 0.996 139 L CA 0.060 54.891 54.840 -0.014 0.000 0.822 139 L CB 1.590 43.671 42.059 0.036 0.000 1.256 139 L HN 0.757 nan 8.230 nan 0.000 0.413 140 T N 4.082 118.646 114.554 0.017 0.000 2.824 140 T HA 0.582 4.932 4.350 -0.000 0.000 0.282 140 T C -0.863 173.867 174.700 0.049 0.000 0.993 140 T CA -0.382 61.739 62.100 0.036 0.000 0.967 140 T CB 1.632 70.492 68.868 -0.014 0.000 0.960 140 T HN 0.317 nan 8.240 nan 0.000 0.441 141 L N 3.809 125.090 121.223 0.098 0.000 2.296 141 L HA 0.664 5.004 4.340 -0.000 0.000 0.286 141 L C -0.134 176.762 176.870 0.043 0.000 1.023 141 L CA -0.457 54.413 54.840 0.050 0.000 0.812 141 L CB 0.889 43.032 42.059 0.140 0.000 1.223 141 L HN 0.561 nan 8.230 nan 0.000 0.421 142 R N 4.518 124.937 120.500 -0.135 0.000 2.494 142 R HA 0.537 4.877 4.340 -0.000 0.000 0.305 142 R C -1.822 174.293 176.300 -0.308 0.000 0.959 142 R CA -0.519 55.519 56.100 -0.104 0.000 0.864 142 R CB 0.970 31.230 30.300 -0.067 0.000 1.159 142 R HN 0.581 nan 8.270 nan 0.000 0.446 143 F N 2.923 122.880 119.950 0.013 0.000 2.449 143 F HA 0.263 4.790 4.527 -0.000 0.000 0.342 143 F C 0.869 176.575 175.800 -0.157 0.000 1.127 143 F CA -0.588 57.359 58.000 -0.088 0.000 0.975 143 F CB 2.023 40.977 39.000 -0.077 0.000 1.146 143 F HN 0.537 nan 8.300 nan 0.000 0.444 144 D N 2.333 122.665 120.400 -0.114 0.000 2.348 144 D HA 0.168 4.808 4.640 -0.000 0.000 0.211 144 D C 0.636 176.737 176.300 -0.333 0.000 0.998 144 D CA 0.577 54.437 54.000 -0.234 0.000 0.873 144 D CB 0.761 41.353 40.800 -0.348 0.000 0.925 144 D HN 0.695 nan 8.370 nan 0.000 0.524 145 G N 0.202 108.757 108.800 -0.407 0.000 2.139 145 G HA2 0.365 4.325 3.960 -0.000 0.000 0.315 145 G HA3 0.365 4.325 3.960 -0.000 0.000 0.315 145 G C -1.399 173.069 174.900 -0.719 0.000 1.599 145 G CA -0.481 44.199 45.100 -0.700 0.000 0.960 145 G HN -0.056 nan 8.290 nan 0.000 0.615 146 V N 1.384 121.138 119.914 -0.267 0.000 2.668 146 V HA 0.605 4.725 4.120 -0.000 0.000 0.304 146 V C -0.412 175.789 176.094 0.177 0.000 1.071 146 V CA -0.838 61.372 62.300 -0.150 0.000 0.894 146 V CB 2.041 33.490 31.823 -0.623 0.000 1.008 146 V HN 0.853 nan 8.190 nan 0.000 0.425 147 E N 2.270 122.610 120.200 0.233 0.000 2.129 147 E HA 0.517 4.867 4.350 -0.000 0.000 0.268 147 E C 0.541 177.204 176.600 0.105 0.000 0.900 147 E CA 0.134 56.635 56.400 0.167 0.000 0.755 147 E CB 1.649 31.382 29.700 0.054 0.000 1.117 147 E HN 0.820 nan 8.360 nan 0.000 0.410 148 S N 4.239 120.055 115.700 0.193 0.000 2.613 148 S HA 0.217 4.687 4.470 -0.000 0.000 0.235 148 S C 0.642 175.425 174.600 0.304 0.000 1.073 148 S CA -0.454 57.899 58.200 0.254 0.000 0.899 148 S CB 0.376 63.744 63.200 0.281 0.000 0.818 148 S HN 0.430 nan 8.310 nan 0.000 0.484 149 R N 0.111 120.816 120.500 0.342 0.000 2.686 149 R HA 0.604 4.944 4.340 -0.000 0.000 0.283 149 R C -2.000 174.543 176.300 0.405 0.000 0.978 149 R CA -0.896 55.395 56.100 0.318 0.000 0.897 149 R CB 1.614 32.079 30.300 0.275 0.000 1.192 149 R HN 0.487 nan 8.270 nan 0.000 0.457 150 Y N -0.043 120.327 120.300 0.118 0.000 2.534 150 Y HA 0.557 5.107 4.550 -0.000 0.000 0.345 150 Y C -1.533 174.273 175.900 -0.157 0.000 1.031 150 Y CA -1.186 56.913 58.100 -0.002 0.000 1.022 150 Y CB 1.585 39.952 38.460 -0.156 0.000 1.292 150 Y HN 0.466 nan 8.280 nan 0.000 0.459 151 K N 2.138 122.413 120.400 -0.208 0.000 2.259 151 K HA 0.803 5.122 4.320 -0.000 0.000 0.252 151 K C -2.044 174.148 176.600 -0.680 0.000 0.936 151 K CA -0.900 54.989 56.287 -0.665 0.000 0.810 151 K CB 2.144 34.072 32.500 -0.954 0.000 1.143 151 K HN 0.719 nan 8.250 nan 0.000 0.427 152 V N 4.181 123.593 119.914 -0.837 0.000 2.540 152 V HA 0.511 4.631 4.120 -0.000 0.000 0.302 152 V C -0.977 174.803 176.094 -0.523 0.000 1.035 152 V CA -0.758 61.267 62.300 -0.457 0.000 0.873 152 V CB 1.328 32.890 31.823 -0.434 0.000 0.992 152 V HN 0.718 nan 8.190 nan 0.000 0.428 153 W N 3.118 124.415 121.300 -0.005 0.000 2.785 153 W HA 0.728 5.388 4.660 -0.000 0.000 0.333 153 W C -1.182 175.370 176.519 0.055 0.000 1.062 153 W CA -0.725 56.620 57.345 -0.000 0.000 1.233 153 W CB 2.262 31.719 29.460 -0.005 0.000 1.413 153 W HN 0.255 nan 8.180 nan 0.000 0.489 154 V N 3.781 123.854 119.914 0.265 0.000 2.444 154 V HA 0.155 4.275 4.120 -0.000 0.000 0.294 154 V C 0.147 176.335 176.094 0.157 0.000 1.022 154 V CA -0.882 61.549 62.300 0.219 0.000 0.850 154 V CB 1.378 33.329 31.823 0.213 0.000 0.992 154 V HN 0.676 nan 8.190 nan 0.000 0.426 155 N N 4.187 122.948 118.700 0.103 0.000 2.727 155 N HA -0.223 4.517 4.740 -0.000 0.000 0.249 155 N C 1.238 176.780 175.510 0.052 0.000 1.048 155 N CA 1.516 54.590 53.050 0.040 0.000 0.714 155 N CB -1.032 37.465 38.487 0.016 0.000 0.959 155 N HN 1.520 nan 8.380 nan 0.000 0.544 156 G N -1.199 107.644 108.800 0.072 0.000 2.212 156 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.266 156 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.266 156 G C -0.029 174.965 174.900 0.157 0.000 0.978 156 G CA 0.780 45.914 45.100 0.056 0.000 0.632 156 G HN 0.572 nan 8.290 nan 0.000 0.537 157 Q N 0.617 120.526 119.800 0.182 0.000 2.256 157 Q HA 0.437 4.777 4.340 -0.000 0.000 0.254 157 Q C 0.130 176.270 176.000 0.233 0.000 0.916 157 Q CA -0.460 55.451 55.803 0.181 0.000 0.932 157 Q CB 1.300 30.103 28.738 0.109 0.000 1.207 157 Q HN 0.410 nan 8.270 nan 0.000 0.426 158 E N 3.066 123.390 120.200 0.206 0.000 2.417 158 E HA -0.058 4.292 4.350 -0.000 0.000 0.261 158 E C 0.138 176.643 176.600 -0.159 0.000 1.000 158 E CA 0.125 56.467 56.400 -0.098 0.000 0.919 158 E CB 0.601 30.231 29.700 -0.116 0.000 0.955 158 E HN 0.572 nan 8.360 nan 0.000 0.455 159 I N 2.533 122.924 120.570 -0.299 0.000 2.947 159 I HA 0.235 4.405 4.170 -0.000 0.000 0.263 159 I C 1.208 177.117 176.117 -0.347 0.000 1.130 159 I CA 0.879 62.031 61.300 -0.247 0.000 1.448 159 I CB -0.414 37.443 38.000 -0.239 0.000 1.222 159 I HN 0.630 nan 8.210 nan 0.000 0.453 160 G N 0.160 108.605 108.800 -0.592 0.000 2.317 160 G HA2 0.414 4.374 3.960 -0.000 0.000 0.293 160 G HA3 0.414 4.374 3.960 -0.000 0.000 0.293 160 G C -1.923 172.609 174.900 -0.613 0.000 1.287 160 G CA -0.399 44.422 45.100 -0.465 0.000 0.850 160 G HN -0.197 nan 8.290 nan 0.000 0.515 161 V N 0.168 119.873 119.914 -0.347 0.000 2.588 161 V HA 0.822 4.941 4.120 -0.000 0.000 0.304 161 V C 0.712 176.625 176.094 -0.302 0.000 1.042 161 V CA 0.197 62.242 62.300 -0.425 0.000 0.877 161 V CB 1.586 33.230 31.823 -0.298 0.000 0.996 161 V HN 1.444 nan 8.190 nan 0.000 0.425 162 G N 2.134 110.470 108.800 -0.774 0.000 2.454 162 G HA2 0.742 4.702 3.960 -0.000 0.000 0.329 162 G HA3 0.742 4.702 3.960 -0.000 0.000 0.329 162 G C -0.846 173.829 174.900 -0.376 0.000 1.177 162 G CA -0.439 44.269 45.100 -0.653 0.000 0.951 162 G HN 0.665 nan 8.290 nan 0.000 0.485 163 S N -1.944 113.716 115.700 -0.065 0.000 2.596 163 S HA 0.775 5.245 4.470 -0.000 0.000 0.270 163 S C -0.083 174.579 174.600 0.103 0.000 1.155 163 S CA 0.330 58.572 58.200 0.071 0.000 0.827 163 S CB 1.885 65.125 63.200 0.067 0.000 1.130 163 S HN 2.210 nan 8.310 nan 0.000 0.467 164 G N 1.253 110.133 108.800 0.134 0.000 2.858 164 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.272 164 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.272 164 G C 0.394 175.366 174.900 0.120 0.000 1.003 164 G CA -0.011 45.150 45.100 0.103 0.000 1.241 164 G HN 0.590 nan 8.290 nan 0.000 0.569 165 S N 0.190 115.974 115.700 0.139 0.000 2.400 165 S HA -0.111 4.359 4.470 -0.000 0.000 0.232 165 S C 2.144 176.849 174.600 0.176 0.000 1.025 165 S CA 1.590 59.895 58.200 0.175 0.000 0.993 165 S CB -0.011 63.280 63.200 0.152 0.000 0.808 165 S HN 0.595 nan 8.310 nan 0.000 0.478 166 R N 0.205 120.749 120.500 0.072 0.000 2.507 166 R HA 0.421 4.761 4.340 -0.000 0.000 0.298 166 R C -0.564 175.737 176.300 0.003 0.000 0.999 166 R CA 0.049 56.178 56.100 0.049 0.000 1.082 166 R CB 0.118 30.330 30.300 -0.147 0.000 1.246 166 R HN 0.296 nan 8.270 nan 0.000 0.553 167 L N 0.088 121.310 121.223 -0.000 0.000 2.325 167 L HA 0.649 4.989 4.340 -0.000 0.000 0.278 167 L C 0.182 177.023 176.870 -0.049 0.000 1.023 167 L CA -1.334 53.487 54.840 -0.031 0.000 0.811 167 L CB 1.725 43.770 42.059 -0.023 0.000 1.249 167 L HN 0.030 nan 8.230 nan 0.000 0.431 168 A N 2.338 125.110 122.820 -0.080 0.000 2.371 168 A HA 0.515 4.835 4.320 -0.000 0.000 0.257 168 A C -0.479 177.078 177.584 -0.046 0.000 1.089 168 A CA -0.076 51.921 52.037 -0.067 0.000 0.794 168 A CB 1.036 19.983 19.000 -0.088 0.000 1.029 168 A HN 0.659 nan 8.150 nan 0.000 0.488 169 Q N 0.650 120.450 119.800 0.000 0.000 2.289 169 Q HA 0.462 4.802 4.340 -0.000 0.000 0.270 169 Q C -1.365 174.561 176.000 -0.124 0.000 1.038 169 Q CA -0.072 55.666 55.803 -0.109 0.000 0.812 169 Q CB 1.508 30.188 28.738 -0.097 0.000 1.300 169 Q HN 0.757 nan 8.270 nan 0.000 0.427 170 E N 2.888 122.921 120.200 -0.279 0.000 2.195 170 E HA 0.559 4.909 4.350 -0.000 0.000 0.271 170 E C -1.021 175.338 176.600 -0.403 0.000 0.923 170 E CA -0.596 55.688 56.400 -0.192 0.000 0.790 170 E CB 1.455 31.096 29.700 -0.098 0.000 1.155 170 E HN 0.447 nan 8.360 nan 0.000 0.402 171 F N 0.626 120.639 119.950 0.105 0.000 2.546 171 F HA 0.200 4.727 4.527 -0.000 0.000 0.320 171 F C 0.180 176.017 175.800 0.062 0.000 1.076 171 F CA -1.059 56.990 58.000 0.083 0.000 0.928 171 F CB 1.443 40.518 39.000 0.124 0.000 1.189 171 F HN 0.266 nan 8.300 nan 0.000 0.465 172 D N 1.746 122.284 120.400 0.231 0.000 2.339 172 D HA 0.245 4.885 4.640 -0.000 0.000 0.241 172 D C 0.365 176.761 176.300 0.160 0.000 1.183 172 D CA -0.016 54.072 54.000 0.146 0.000 0.859 172 D CB 1.323 42.181 40.800 0.097 0.000 1.067 172 D HN 0.363 nan 8.370 nan 0.000 0.484 173 V N 1.317 121.325 119.914 0.156 0.000 3.271 173 V HA 0.142 4.262 4.120 -0.000 0.000 0.327 173 V C 1.719 177.910 176.094 0.161 0.000 1.389 173 V CA -0.226 62.172 62.300 0.163 0.000 1.156 173 V CB -0.099 31.838 31.823 0.190 0.000 1.103 173 V HN 0.303 nan 8.190 nan 0.000 0.453 174 S N 1.900 117.679 115.700 0.130 0.000 2.372 174 S HA -0.241 4.229 4.470 -0.000 0.000 0.227 174 S C 1.528 176.234 174.600 0.177 0.000 1.044 174 S CA 2.461 60.740 58.200 0.132 0.000 1.050 174 S CB -0.336 62.919 63.200 0.091 0.000 0.901 174 S HN 0.752 nan 8.310 nan 0.000 0.447 175 D N 0.533 121.018 120.400 0.141 0.000 2.347 175 D HA 0.240 4.880 4.640 -0.000 0.000 0.213 175 D C 1.657 178.034 176.300 0.128 0.000 0.985 175 D CA 0.689 54.766 54.000 0.128 0.000 0.879 175 D CB -0.030 40.825 40.800 0.092 0.000 0.919 175 D HN 0.427 nan 8.370 nan 0.000 0.526 176 A N 0.094 123.001 122.820 0.146 0.000 2.014 176 A HA 0.183 4.503 4.320 -0.000 0.000 0.210 176 A C 1.188 178.862 177.584 0.150 0.000 1.188 176 A CA -0.050 52.066 52.037 0.131 0.000 0.731 176 A CB 0.061 19.138 19.000 0.129 0.000 0.858 176 A HN 0.075 nan 8.150 nan 0.000 0.464 177 L N 0.811 122.174 121.223 0.233 0.000 2.453 177 L HA 0.383 4.723 4.340 -0.000 0.000 0.261 177 L C 0.638 177.666 176.870 0.263 0.000 1.179 177 L CA -0.422 54.593 54.840 0.292 0.000 0.813 177 L CB 0.692 43.006 42.059 0.426 0.000 1.110 177 L HN 0.565 nan 8.230 nan 0.000 0.466 178 R N 1.392 121.955 120.500 0.105 0.000 2.867 178 R HA 0.807 5.147 4.340 -0.000 0.000 0.268 178 R C -1.086 175.019 176.300 -0.325 0.000 1.014 178 R CA -0.921 54.993 56.100 -0.311 0.000 0.946 178 R CB 1.492 31.657 30.300 -0.225 0.000 1.208 178 R HN 0.531 nan 8.270 nan 0.000 0.477 179 A N 0.926 123.340 122.820 -0.677 0.000 2.462 179 A HA 0.544 4.864 4.320 -0.000 0.000 0.243 179 A C 0.992 178.496 177.584 -0.134 0.000 1.076 179 A CA 0.848 52.763 52.037 -0.203 0.000 0.773 179 A CB -0.507 18.370 19.000 -0.205 0.000 1.010 179 A HN 1.367 nan 8.150 nan 0.000 0.493 180 G N 0.382 109.135 108.800 -0.080 0.000 2.503 180 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.235 180 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.235 180 G C 0.480 175.282 174.900 -0.163 0.000 1.179 180 G CA 0.226 45.259 45.100 -0.113 0.000 0.944 180 G HN 1.939 nan 8.290 nan 0.000 0.580 181 S N 1.035 116.626 115.700 -0.182 0.000 2.537 181 S HA 0.620 5.090 4.470 -0.000 0.000 0.275 181 S C 0.085 174.486 174.600 -0.332 0.000 1.272 181 S CA -0.179 57.871 58.200 -0.251 0.000 1.050 181 S CB 0.115 63.203 63.200 -0.187 0.000 0.961 181 S HN 0.690 nan 8.310 nan 0.000 0.496 182 N N 2.101 120.455 118.700 -0.576 0.000 2.405 182 N HA 0.501 5.241 4.740 -0.000 0.000 0.285 182 N C -1.815 173.311 175.510 -0.641 0.000 1.262 182 N CA -0.653 52.002 53.050 -0.658 0.000 0.773 182 N CB 1.716 39.615 38.487 -0.979 0.000 1.490 182 N HN 0.478 nan 8.380 nan 0.000 0.486 183 L N 1.537 122.571 121.223 -0.315 0.000 2.362 183 L HA 0.593 4.932 4.340 -0.000 0.000 0.275 183 L C -1.610 175.340 176.870 0.134 0.000 0.998 183 L CA -0.685 54.096 54.840 -0.098 0.000 0.820 183 L CB 1.472 43.492 42.059 -0.065 0.000 1.270 183 L HN 0.458 nan 8.230 nan 0.000 0.415 184 L N 6.022 127.395 121.223 0.250 0.000 2.333 184 L HA 0.801 5.141 4.340 -0.000 0.000 0.280 184 L C -1.441 175.575 176.870 0.244 0.000 1.004 184 L CA -0.312 54.701 54.840 0.288 0.000 0.820 184 L CB 1.979 44.196 42.059 0.263 0.000 1.247 184 L HN 0.407 nan 8.230 nan 0.000 0.416 185 V N 5.626 125.748 119.914 0.346 0.000 2.531 185 V HA 0.631 4.751 4.120 -0.000 0.000 0.301 185 V C -0.707 175.736 176.094 0.583 0.000 1.034 185 V CA -0.627 61.918 62.300 0.408 0.000 0.865 185 V CB 2.017 33.979 31.823 0.233 0.000 0.995 185 V HN 0.545 nan 8.190 nan 0.000 0.424 186 V N 5.089 125.369 119.914 0.610 0.000 2.540 186 V HA 0.582 4.702 4.120 -0.000 0.000 0.302 186 V C -0.121 176.291 176.094 0.530 0.000 1.035 186 V CA -0.807 61.789 62.300 0.493 0.000 0.873 186 V CB 1.979 34.001 31.823 0.331 0.000 0.992 186 V HN 0.893 nan 8.190 nan 0.000 0.428 187 R N 3.609 124.373 120.500 0.441 0.000 2.343 187 R HA 0.753 5.093 4.340 -0.000 0.000 0.320 187 R C -1.775 174.631 176.300 0.175 0.000 0.956 187 R CA -0.332 55.972 56.100 0.340 0.000 0.836 187 R CB 1.706 32.242 30.300 0.394 0.000 1.151 187 R HN 0.536 nan 8.270 nan 0.000 0.450 188 V N 5.134 125.172 119.914 0.208 0.000 2.448 188 V HA 0.342 4.462 4.120 -0.000 0.000 0.295 188 V C -0.375 175.832 176.094 0.188 0.000 1.025 188 V CA -0.819 61.646 62.300 0.276 0.000 0.859 188 V CB 1.507 33.636 31.823 0.510 0.000 0.988 188 V HN 0.786 nan 8.190 nan 0.000 0.431 189 H N 3.624 122.925 119.070 0.385 0.000 2.467 189 H HA 0.257 4.813 4.556 -0.000 0.000 0.326 189 H C 0.647 176.118 175.328 0.239 0.000 1.094 189 H CA -0.245 55.987 56.048 0.306 0.000 1.253 189 H CB 2.324 32.218 29.762 0.220 0.000 1.439 189 H HN 0.756 nan 8.280 nan 0.000 0.479 190 Q N 3.294 123.249 119.800 0.257 0.000 2.020 190 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 190 Q C -0.318 175.578 176.000 -0.173 0.000 0.982 190 Q CA 1.411 57.124 55.803 -0.151 0.000 0.838 190 Q CB 0.294 28.717 28.738 -0.525 0.000 0.899 190 Q HN 0.574 nan 8.270 nan 0.000 0.423 191 W N 0.838 122.224 121.300 0.143 0.000 2.496 191 W HA 0.470 5.130 4.660 -0.000 0.000 0.327 191 W C -0.177 176.320 176.519 -0.037 0.000 1.086 191 W CA -0.740 56.582 57.345 -0.039 0.000 1.222 191 W CB 1.476 30.802 29.460 -0.222 0.000 1.304 191 W HN 0.098 nan 8.180 nan 0.000 0.547 192 S N 0.111 115.919 115.700 0.180 0.000 2.672 192 S HA 0.640 5.109 4.470 -0.000 0.000 0.271 192 S C 0.366 175.041 174.600 0.124 0.000 1.171 192 S CA -0.367 57.892 58.200 0.098 0.000 0.817 192 S CB 1.007 64.298 63.200 0.152 0.000 1.150 192 S HN 0.675 nan 8.310 nan 0.000 0.478 193 A N 0.643 123.565 122.820 0.170 0.000 1.978 193 A HA 0.234 4.554 4.320 -0.000 0.000 0.220 193 A C 2.254 180.176 177.584 0.563 0.000 1.170 193 A CA 2.068 54.337 52.037 0.387 0.000 0.636 193 A CB -1.632 17.485 19.000 0.196 0.000 0.810 193 A HN 1.620 nan 8.150 nan 0.000 0.448 194 A N -0.439 122.614 122.820 0.387 0.000 2.076 194 A HA -0.048 4.272 4.320 -0.000 0.000 0.220 194 A C 2.298 180.110 177.584 0.380 0.000 1.160 194 A CA 1.841 54.101 52.037 0.372 0.000 0.653 194 A CB -0.677 18.492 19.000 0.281 0.000 0.801 194 A HN 0.463 nan 8.150 nan 0.000 0.455 195 S N -1.342 114.577 115.700 0.366 0.000 2.423 195 S HA -0.121 4.349 4.470 -0.000 0.000 0.231 195 S C 1.569 176.508 174.600 0.564 0.000 1.014 195 S CA 1.091 59.589 58.200 0.496 0.000 0.965 195 S CB -0.559 62.858 63.200 0.362 0.000 0.785 195 S HN 0.729 nan 8.310 nan 0.000 0.495 196 Y N 1.538 122.082 120.300 0.406 0.000 2.333 196 Y HA 0.006 4.556 4.550 -0.000 0.000 0.290 196 Y C 1.786 177.898 175.900 0.352 0.000 1.144 196 Y CA 0.736 59.044 58.100 0.347 0.000 1.228 196 Y CB -0.326 38.211 38.460 0.128 0.000 0.985 196 Y HN 0.199 nan 8.280 nan 0.000 0.542 197 L N -0.425 120.995 121.223 0.328 0.000 2.591 197 L HA 0.036 4.376 4.340 -0.000 0.000 0.228 197 L C 0.169 177.183 176.870 0.240 0.000 1.133 197 L CA 0.649 55.592 54.840 0.171 0.000 0.880 197 L CB -0.023 42.082 42.059 0.075 0.000 1.033 197 L HN 0.160 nan 8.230 nan 0.000 0.450 198 E N -0.301 120.113 120.200 0.357 0.000 3.846 198 E HA 0.030 4.380 4.350 -0.000 0.000 0.216 198 E C -0.469 176.230 176.600 0.165 0.000 1.092 198 E CA -0.086 56.468 56.400 0.257 0.000 1.370 198 E CB 0.441 30.296 29.700 0.257 0.000 1.227 198 E HN 0.009 nan 8.360 nan 0.000 0.442 199 D N 1.138 121.650 120.400 0.185 0.000 2.690 199 D HA 0.026 4.666 4.640 -0.000 0.000 0.236 199 D C -0.208 176.025 176.300 -0.112 0.000 1.218 199 D CA -0.120 53.883 54.000 0.005 0.000 0.829 199 D CB 0.079 40.800 40.800 -0.132 0.000 1.009 199 D HN 0.081 nan 8.370 nan 0.000 0.482 200 Q N 0.464 120.195 119.800 -0.115 0.000 2.428 200 Q HA 0.067 4.407 4.340 -0.000 0.000 0.276 200 Q C -0.038 175.905 176.000 -0.095 0.000 1.059 200 Q CA 0.266 56.055 55.803 -0.025 0.000 0.923 200 Q CB 0.487 29.278 28.738 0.088 0.000 1.283 200 Q HN 0.090 nan 8.270 nan 0.000 0.447 201 D N 2.611 123.048 120.400 0.062 0.000 2.455 201 D HA 0.033 4.673 4.640 -0.000 0.000 0.234 201 D C -0.890 175.534 176.300 0.206 0.000 1.224 201 D CA 0.158 54.230 54.000 0.119 0.000 0.999 201 D CB -0.294 40.621 40.800 0.193 0.000 1.072 201 D HN 0.477 nan 8.370 nan 0.000 0.514 202 Q N 1.323 121.181 119.800 0.096 0.000 2.874 202 Q HA 0.234 4.574 4.340 -0.000 0.000 0.303 202 Q C -1.157 174.875 176.000 0.055 0.000 0.876 202 Q CA -1.182 54.648 55.803 0.045 0.000 0.765 202 Q CB 0.102 28.768 28.738 -0.121 0.000 1.478 202 Q HN 0.189 nan 8.270 nan 0.000 0.434 203 W N 0.402 121.770 121.300 0.113 0.000 2.181 203 W HA 0.320 4.980 4.660 -0.000 0.000 0.335 203 W C -0.469 176.025 176.519 -0.042 0.000 1.310 203 W CA 0.105 57.536 57.345 0.143 0.000 1.226 203 W CB 0.392 29.903 29.460 0.084 0.000 1.155 203 W HN 0.440 nan 8.180 nan 0.000 0.565 204 W N 4.572 126.073 121.300 0.334 0.000 2.335 204 W HA 0.486 5.146 4.660 -0.000 0.000 0.306 204 W C -0.488 176.016 176.519 -0.025 0.000 1.216 204 W CA -0.554 56.883 57.345 0.153 0.000 1.237 204 W CB 0.132 29.746 29.460 0.257 0.000 1.243 204 W HN -0.111 nan 8.180 nan 0.000 0.493 205 L N 7.040 128.240 121.223 -0.038 0.000 2.490 205 L HA 0.296 4.636 4.340 -0.000 0.000 0.256 205 L C -2.200 174.469 176.870 -0.335 0.000 1.089 205 L CA -2.051 52.576 54.840 -0.356 0.000 0.916 205 L CB 1.227 42.774 42.059 -0.853 0.000 1.188 205 L HN 0.090 nan 8.230 nan 0.000 0.476 206 P HA 0.506 nan 4.420 nan 0.000 0.274 206 P C 0.094 176.946 177.300 -0.746 0.000 1.231 206 P CA 0.269 62.957 63.100 -0.686 0.000 0.790 206 P CB 2.079 33.089 31.700 -1.151 0.000 0.951 207 G N 0.770 109.331 108.800 -0.398 0.000 2.369 207 G HA2 0.071 4.031 3.960 -0.000 0.000 0.307 207 G HA3 0.071 4.031 3.960 -0.000 0.000 0.307 207 G C -1.372 173.509 174.900 -0.032 0.000 1.327 207 G CA -0.878 44.167 45.100 -0.092 0.000 0.963 207 G HN 0.414 nan 8.290 nan 0.000 0.590 208 I N 2.115 122.557 120.570 -0.214 0.000 2.256 208 I HA 0.255 4.425 4.170 -0.000 0.000 0.294 208 I C 1.088 177.020 176.117 -0.308 0.000 1.127 208 I CA -0.261 60.798 61.300 -0.401 0.000 1.247 208 I CB -0.131 37.421 38.000 -0.747 0.000 1.460 208 I HN 0.513 nan 8.210 nan 0.000 0.511 209 F N 4.400 124.151 119.950 -0.332 0.000 2.695 209 F HA 0.450 4.977 4.527 -0.000 0.000 0.303 209 F C 0.756 176.433 175.800 -0.205 0.000 1.091 209 F CA -0.504 57.264 58.000 -0.387 0.000 1.300 209 F CB 0.064 38.702 39.000 -0.604 0.000 1.071 209 F HN 0.134 nan 8.300 nan 0.000 0.578 210 R N 0.570 120.620 120.500 -0.751 0.000 2.960 210 R HA 0.294 4.634 4.340 -0.000 0.000 0.249 210 R C -0.978 175.155 176.300 -0.279 0.000 1.192 210 R CA -1.117 54.720 56.100 -0.439 0.000 1.035 210 R CB 0.734 30.687 30.300 -0.577 0.000 1.234 210 R HN 0.027 nan 8.270 nan 0.000 0.493 211 D N 0.357 120.668 120.400 -0.148 0.000 2.449 211 D HA 0.130 4.770 4.640 -0.000 0.000 0.236 211 D C -0.715 175.489 176.300 -0.161 0.000 1.149 211 D CA 0.375 54.321 54.000 -0.091 0.000 0.878 211 D CB 0.664 41.468 40.800 0.006 0.000 1.198 211 D HN -0.033 nan 8.370 nan 0.000 0.446 212 V N 1.866 121.693 119.914 -0.146 0.000 2.409 212 V HA 0.581 4.701 4.120 -0.000 0.000 0.291 212 V C 0.263 176.255 176.094 -0.172 0.000 1.020 212 V CA -0.597 61.547 62.300 -0.260 0.000 0.848 212 V CB 1.284 32.987 31.823 -0.201 0.000 0.990 212 V HN 0.813 nan 8.190 nan 0.000 0.430 213 T N 2.742 117.169 114.554 -0.211 0.000 2.883 213 T HA 0.807 5.157 4.350 -0.000 0.000 0.296 213 T C -1.014 173.615 174.700 -0.118 0.000 1.117 213 T CA -0.783 61.248 62.100 -0.116 0.000 1.006 213 T CB 1.896 70.739 68.868 -0.040 0.000 1.191 213 T HN 0.328 nan 8.240 nan 0.000 0.508 214 L N 1.175 122.379 121.223 -0.031 0.000 2.346 214 L HA 0.619 4.959 4.340 -0.000 0.000 0.276 214 L C -0.270 176.659 176.870 0.098 0.000 1.006 214 L CA -0.731 54.144 54.840 0.059 0.000 0.817 214 L CB 2.083 44.242 42.059 0.166 0.000 1.272 214 L HN 0.748 nan 8.230 nan 0.000 0.421 215 Q N 1.902 121.697 119.800 -0.008 0.000 2.375 215 Q HA 0.681 5.021 4.340 -0.000 0.000 0.271 215 Q C -1.223 174.575 176.000 -0.336 0.000 1.074 215 Q CA -0.783 54.915 55.803 -0.175 0.000 0.808 215 Q CB 2.490 31.138 28.738 -0.151 0.000 1.327 215 Q HN 0.720 nan 8.270 nan 0.000 0.441 216 A N 4.339 126.735 122.820 -0.707 0.000 2.294 216 A HA 0.425 4.745 4.320 -0.000 0.000 0.316 216 A C -0.544 176.774 177.584 -0.443 0.000 1.359 216 A CA -0.646 50.961 52.037 -0.716 0.000 0.956 216 A CB 0.314 18.485 19.000 -1.382 0.000 1.155 216 A HN 0.596 nan 8.150 nan 0.000 0.544 217 R N 2.985 123.320 120.500 -0.275 0.000 2.351 217 R HA 0.214 4.554 4.340 -0.000 0.000 0.318 217 R C -2.822 173.371 176.300 -0.179 0.000 1.055 217 R CA -1.860 54.125 56.100 -0.192 0.000 0.968 217 R CB -0.130 30.095 30.300 -0.125 0.000 0.974 217 R HN 0.405 nan 8.270 nan 0.000 0.439 218 P HA 0.002 nan 4.420 nan 0.000 0.268 218 P C -0.503 176.741 177.300 -0.093 0.000 1.204 218 P CA 0.013 63.032 63.100 -0.134 0.000 0.768 218 P CB 0.652 32.278 31.700 -0.123 0.000 0.842 219 A N 3.441 126.218 122.820 -0.072 0.000 2.488 219 A HA 0.446 4.766 4.320 -0.000 0.000 0.249 219 A C 1.471 179.030 177.584 -0.042 0.000 1.083 219 A CA 0.537 52.548 52.037 -0.044 0.000 0.768 219 A CB -1.260 17.724 19.000 -0.027 0.000 1.017 219 A HN 0.865 nan 8.150 nan 0.000 0.496 220 G N 1.865 110.645 108.800 -0.035 0.000 2.179 220 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.257 220 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.257 220 G C 0.793 175.650 174.900 -0.072 0.000 1.010 220 G CA 0.858 45.933 45.100 -0.042 0.000 0.736 220 G HN 1.757 nan 8.290 nan 0.000 0.513 221 G N -1.102 107.652 108.800 -0.076 0.000 2.563 221 G HA2 0.618 4.578 3.960 -0.000 0.000 0.283 221 G HA3 0.618 4.578 3.960 -0.000 0.000 0.283 221 G C -0.017 174.825 174.900 -0.096 0.000 1.309 221 G CA -0.917 44.129 45.100 -0.090 0.000 1.022 221 G HN 0.632 nan 8.290 nan 0.000 0.501 222 I N 0.144 120.659 120.570 -0.091 0.000 2.328 222 I HA 0.171 4.341 4.170 -0.000 0.000 0.287 222 I C 1.238 177.319 176.117 -0.061 0.000 1.012 222 I CA -0.321 60.932 61.300 -0.079 0.000 1.195 222 I CB 1.955 39.913 38.000 -0.070 0.000 1.350 222 I HN 0.452 nan 8.210 nan 0.000 0.464 223 T N 2.869 117.396 114.554 -0.045 0.000 2.857 223 T HA -0.054 4.296 4.350 -0.000 0.000 0.266 223 T C 0.308 174.989 174.700 -0.032 0.000 1.048 223 T CA 1.205 63.281 62.100 -0.041 0.000 1.139 223 T CB -0.125 68.727 68.868 -0.026 0.000 0.874 223 T HN 0.567 nan 8.240 nan 0.000 0.455 224 D N -1.145 119.249 120.400 -0.011 0.000 2.654 224 D HA 0.635 5.275 4.640 -0.000 0.000 0.231 224 D C -1.706 174.618 176.300 0.040 0.000 1.239 224 D CA -0.461 53.544 54.000 0.007 0.000 0.790 224 D CB 1.787 42.597 40.800 0.017 0.000 1.480 224 D HN 0.186 nan 8.370 nan 0.000 0.442 225 A N 1.210 124.069 122.820 0.066 0.000 2.515 225 A HA 0.665 4.984 4.320 -0.000 0.000 0.298 225 A C -2.052 175.660 177.584 0.214 0.000 1.059 225 A CA -0.738 51.371 52.037 0.120 0.000 0.698 225 A CB 1.513 20.572 19.000 0.099 0.000 1.289 225 A HN 0.371 nan 8.150 nan 0.000 0.404 226 W N 3.271 124.577 121.300 0.010 0.000 2.587 226 W HA 0.583 5.243 4.660 -0.000 0.000 0.324 226 W C -2.018 174.509 176.519 0.013 0.000 1.008 226 W CA -1.382 55.970 57.345 0.012 0.000 1.265 226 W CB 1.022 30.495 29.460 0.021 0.000 1.328 226 W HN 0.516 nan 8.180 nan 0.000 0.432 227 L N 7.053 128.406 121.223 0.216 0.000 2.315 227 L HA 0.380 4.720 4.340 -0.000 0.000 0.278 227 L C 0.890 177.700 176.870 -0.100 0.000 1.088 227 L CA -0.495 54.360 54.840 0.024 0.000 0.899 227 L CB 0.385 42.476 42.059 0.053 0.000 1.277 227 L HN 0.292 nan 8.230 nan 0.000 0.431 228 R N 2.429 122.701 120.500 -0.379 0.000 2.248 228 R HA 0.254 4.594 4.340 -0.000 0.000 0.328 228 R C 0.154 176.337 176.300 -0.194 0.000 1.067 228 R CA -0.167 55.667 56.100 -0.444 0.000 0.924 228 R CB 0.781 30.563 30.300 -0.864 0.000 1.013 228 R HN 0.605 nan 8.270 nan 0.000 0.454 229 T N 0.715 115.204 114.554 -0.108 0.000 2.948 229 T HA 0.833 5.183 4.350 -0.000 0.000 0.285 229 T C 0.206 174.960 174.700 0.090 0.000 1.019 229 T CA -0.562 61.501 62.100 -0.062 0.000 1.013 229 T CB 2.061 70.735 68.868 -0.323 0.000 1.117 229 T HN 0.622 nan 8.240 nan 0.000 0.533 230 G N -0.941 108.015 108.800 0.260 0.000 2.660 230 G HA2 0.560 4.520 3.960 -0.000 0.000 0.290 230 G HA3 0.560 4.520 3.960 -0.000 0.000 0.290 230 G C -2.609 172.582 174.900 0.485 0.000 1.432 230 G CA -1.039 44.240 45.100 0.298 0.000 0.807 230 G HN 0.942 nan 8.290 nan 0.000 0.485 231 W N 0.646 122.065 121.300 0.200 0.000 3.573 231 W HA 0.628 5.288 4.660 -0.000 0.000 0.306 231 W C -0.526 176.063 176.519 0.116 0.000 1.227 231 W CA -0.403 57.049 57.345 0.179 0.000 1.212 231 W CB 1.978 31.585 29.460 0.245 0.000 1.331 231 W HN 1.037 nan 8.180 nan 0.000 0.524 232 S N 4.118 119.377 115.700 -0.734 0.000 2.564 232 S HA 0.865 5.335 4.470 -0.000 0.000 0.274 232 S C -0.863 172.909 174.600 -1.380 0.000 1.124 232 S CA -0.562 57.173 58.200 -0.776 0.000 0.869 232 S CB 1.504 64.517 63.200 -0.311 0.000 1.105 232 S HN 1.241 nan 8.310 nan 0.000 0.472 233 A N 3.032 125.288 122.820 -0.939 0.000 2.401 233 A HA 0.752 5.072 4.320 -0.000 0.000 0.259 233 A C 0.404 177.786 177.584 -0.336 0.000 1.103 233 A CA -0.515 51.136 52.037 -0.643 0.000 0.789 233 A CB 0.204 19.136 19.000 -0.114 0.000 1.035 233 A HN 0.801 nan 8.150 nan 0.000 0.491 234 R N 0.564 120.930 120.500 -0.223 0.000 3.076 234 R HA 0.567 4.907 4.340 -0.000 0.000 0.239 234 R C 0.176 176.455 176.300 -0.035 0.000 1.392 234 R CA -0.279 55.749 56.100 -0.120 0.000 1.044 234 R CB 1.087 31.313 30.300 -0.123 0.000 1.389 234 R HN 0.881 nan 8.270 nan 0.000 0.498 235 S N -0.799 114.888 115.700 -0.022 0.000 2.601 235 S HA 0.569 5.038 4.470 -0.000 0.000 0.271 235 S C 0.753 175.363 174.600 0.017 0.000 1.305 235 S CA 0.419 58.622 58.200 0.005 0.000 1.022 235 S CB 1.160 64.360 63.200 0.000 0.000 0.940 235 S HN 0.935 nan 8.310 nan 0.000 0.525 236 G N 1.924 110.747 108.800 0.038 0.000 2.512 236 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.254 236 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.254 236 G C 0.854 175.811 174.900 0.095 0.000 1.199 236 G CA 0.384 45.515 45.100 0.051 0.000 0.941 236 G HN 1.781 nan 8.290 nan 0.000 0.569 237 A N -0.679 122.207 122.820 0.110 0.000 1.898 237 A HA 0.557 4.877 4.320 -0.000 0.000 0.216 237 A C 2.360 180.148 177.584 0.339 0.000 1.181 237 A CA 2.826 54.980 52.037 0.197 0.000 0.620 237 A CB -0.766 18.336 19.000 0.170 0.000 0.819 237 A HN 2.982 nan 8.150 nan 0.000 0.442 238 G N -3.368 105.523 108.800 0.151 0.000 2.371 238 G HA2 0.266 4.226 3.960 -0.000 0.000 0.663 238 G HA3 0.266 4.226 3.960 -0.000 0.000 0.663 238 G C -0.578 174.195 174.900 -0.211 0.000 1.311 238 G CA -0.359 44.688 45.100 -0.087 0.000 0.985 238 G HN 0.597 nan 8.290 nan 0.000 0.566 239 T N 0.802 115.049 114.554 -0.511 0.000 2.758 239 T HA 0.672 5.022 4.350 -0.000 0.000 0.285 239 T C 0.757 175.263 174.700 -0.323 0.000 0.981 239 T CA 0.420 62.317 62.100 -0.338 0.000 0.965 239 T CB 1.481 70.186 68.868 -0.271 0.000 0.927 239 T HN 1.380 nan 8.240 nan 0.000 0.448 240 G N 1.995 110.661 108.800 -0.222 0.000 2.425 240 G HA2 0.621 4.581 3.960 -0.000 0.000 0.302 240 G HA3 0.621 4.581 3.960 -0.000 0.000 0.302 240 G C -0.248 174.665 174.900 0.021 0.000 1.159 240 G CA -0.624 44.389 45.100 -0.145 0.000 0.865 240 G HN 0.766 nan 8.290 nan 0.000 0.515 241 T N -1.587 113.125 114.554 0.263 0.000 2.900 241 T HA 0.695 5.045 4.350 -0.000 0.000 0.295 241 T C -0.543 174.334 174.700 0.296 0.000 1.044 241 T CA -0.690 61.533 62.100 0.205 0.000 0.995 241 T CB 1.721 70.653 68.868 0.106 0.000 1.072 241 T HN 0.365 nan 8.240 nan 0.000 0.473 242 I N 2.016 122.704 120.570 0.197 0.000 2.436 242 I HA 0.402 4.572 4.170 -0.000 0.000 0.289 242 I C -0.932 175.210 176.117 0.043 0.000 1.010 242 I CA -0.695 60.678 61.300 0.121 0.000 1.098 242 I CB 1.953 40.053 38.000 0.167 0.000 1.266 242 I HN 0.677 nan 8.210 nan 0.000 0.434 243 D N 8.902 129.268 120.400 -0.057 0.000 2.458 243 D HA 0.329 4.969 4.640 -0.000 0.000 0.258 243 D C -2.529 173.659 176.300 -0.186 0.000 1.134 243 D CA -2.054 51.872 54.000 -0.123 0.000 0.915 243 D CB 1.230 41.922 40.800 -0.180 0.000 1.028 243 D HN 0.112 nan 8.370 nan 0.000 0.508 244 P HA 0.225 nan 4.420 nan 0.000 0.279 244 P C -0.532 176.667 177.300 -0.169 0.000 1.239 244 P CA -0.296 62.741 63.100 -0.105 0.000 0.789 244 P CB 1.256 32.945 31.700 -0.018 0.000 0.933 245 E N 2.945 123.101 120.200 -0.074 0.000 2.199 245 E HA 0.414 4.764 4.350 -0.000 0.000 0.265 245 E C -1.150 175.472 176.600 0.038 0.000 0.882 245 E CA -0.694 55.696 56.400 -0.017 0.000 0.759 245 E CB 0.889 30.648 29.700 0.099 0.000 1.148 245 E HN 0.249 nan 8.360 nan 0.000 0.412 246 I N 3.862 124.436 120.570 0.006 0.000 2.389 246 I HA 0.225 4.395 4.170 -0.000 0.000 0.288 246 I C -0.305 175.852 176.117 0.067 0.000 0.999 246 I CA -0.576 60.752 61.300 0.046 0.000 1.129 246 I CB 1.568 39.600 38.000 0.053 0.000 1.288 246 I HN 0.475 nan 8.210 nan 0.000 0.444 247 T N 6.093 120.680 114.554 0.055 0.000 2.770 247 T HA 0.792 5.142 4.350 -0.000 0.000 0.297 247 T C 0.001 174.717 174.700 0.028 0.000 0.997 247 T CA -0.472 61.658 62.100 0.051 0.000 0.949 247 T CB 1.143 70.037 68.868 0.044 0.000 0.941 247 T HN 0.782 nan 8.240 nan 0.000 0.457 248 A N 2.797 125.648 122.820 0.051 0.000 2.608 248 A HA 0.591 4.911 4.320 -0.000 0.000 0.292 248 A C -0.963 176.672 177.584 0.085 0.000 1.066 248 A CA -0.925 51.123 52.037 0.019 0.000 0.676 248 A CB 1.111 20.053 19.000 -0.097 0.000 1.277 248 A HN 0.641 nan 8.150 nan 0.000 0.413 249 D N 0.899 121.332 120.400 0.055 0.000 2.382 249 D HA 0.334 4.974 4.640 -0.000 0.000 0.240 249 D C 1.537 177.940 176.300 0.172 0.000 1.146 249 D CA 0.641 54.692 54.000 0.085 0.000 0.897 249 D CB 1.547 42.374 40.800 0.044 0.000 1.197 249 D HN 0.668 nan 8.370 nan 0.000 0.432 250 A N 2.493 125.423 122.820 0.184 0.000 1.948 250 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 250 A C 2.072 179.802 177.584 0.244 0.000 1.177 250 A CA 2.540 54.724 52.037 0.246 0.000 0.636 250 A CB -1.077 17.994 19.000 0.118 0.000 0.815 250 A HN 0.778 nan 8.150 nan 0.000 0.449 251 T N -2.414 112.220 114.554 0.133 0.000 3.025 251 T HA 0.111 4.460 4.350 -0.000 0.000 0.270 251 T C 1.652 176.392 174.700 0.067 0.000 1.126 251 T CA 1.408 63.562 62.100 0.091 0.000 1.105 251 T CB -0.419 68.478 68.868 0.048 0.000 0.884 251 T HN 0.584 nan 8.240 nan 0.000 0.522 252 A N 0.623 123.466 122.820 0.037 0.000 2.014 252 A HA 0.334 4.654 4.320 -0.000 0.000 0.218 252 A C 0.628 178.104 177.584 -0.181 0.000 1.163 252 A CA 0.025 51.988 52.037 -0.124 0.000 0.652 252 A CB -0.645 18.196 19.000 -0.264 0.000 0.808 252 A HN 0.536 nan 8.150 nan 0.000 0.449 253 F N 1.334 121.313 119.950 0.048 0.000 2.443 253 F HA 0.351 4.878 4.527 -0.000 0.000 0.353 253 F C -1.616 174.212 175.800 0.047 0.000 1.101 253 F CA -2.179 55.860 58.000 0.065 0.000 1.226 253 F CB 0.429 39.474 39.000 0.075 0.000 1.140 253 F HN 0.087 nan 8.300 nan 0.000 0.557 254 P HA 0.225 nan 4.420 nan 0.000 0.279 254 P C -1.019 176.323 177.300 0.070 0.000 1.239 254 P CA -0.175 63.054 63.100 0.216 0.000 0.789 254 P CB 1.558 33.334 31.700 0.127 0.000 0.933 255 V N 3.182 123.171 119.914 0.125 0.000 2.459 255 V HA 0.371 4.491 4.120 -0.000 0.000 0.295 255 V C 0.356 176.432 176.094 -0.030 0.000 1.029 255 V CA -0.181 62.127 62.300 0.014 0.000 0.874 255 V CB 1.819 33.638 31.823 -0.008 0.000 0.985 255 V HN 0.589 nan 8.190 nan 0.000 0.438 256 T N 5.810 120.285 114.554 -0.132 0.000 2.807 256 T HA 0.551 4.901 4.350 -0.000 0.000 0.279 256 T C -0.685 173.845 174.700 -0.283 0.000 0.993 256 T CA -0.305 61.630 62.100 -0.274 0.000 0.970 256 T CB 1.400 70.167 68.868 -0.168 0.000 0.950 256 T HN 0.431 nan 8.240 nan 0.000 0.441 257 L N 3.425 124.362 121.223 -0.477 0.000 2.272 257 L HA 0.723 5.063 4.340 -0.000 0.000 0.289 257 L C -0.114 176.651 176.870 -0.174 0.000 1.032 257 L CA 0.032 54.709 54.840 -0.273 0.000 0.810 257 L CB 1.316 43.190 42.059 -0.308 0.000 1.205 257 L HN 0.593 nan 8.230 nan 0.000 0.422 258 S N 4.442 120.096 115.700 -0.077 0.000 2.519 258 S HA 0.744 5.214 4.470 -0.000 0.000 0.309 258 S C -1.048 173.560 174.600 0.013 0.000 1.100 258 S CA -0.555 57.620 58.200 -0.041 0.000 1.059 258 S CB 1.163 64.341 63.200 -0.036 0.000 1.008 258 S HN 0.459 nan 8.310 nan 0.000 0.478 259 V N 7.905 127.836 119.914 0.028 0.000 2.383 259 V HA 0.324 4.444 4.120 -0.000 0.000 0.261 259 V C -1.953 174.181 176.094 0.067 0.000 0.987 259 V CA -1.465 60.880 62.300 0.076 0.000 0.853 259 V CB 0.692 32.576 31.823 0.101 0.000 1.095 259 V HN 0.598 nan 8.190 nan 0.000 0.461 260 P HA -0.219 nan 4.420 nan 0.000 0.215 260 P C 1.622 178.965 177.300 0.072 0.000 1.163 260 P CA 1.461 64.594 63.100 0.054 0.000 0.894 260 P CB 0.483 32.215 31.700 0.052 0.000 0.791 261 E N -0.789 119.485 120.200 0.124 0.000 2.209 261 E HA -0.153 4.197 4.350 -0.000 0.000 0.196 261 E C 1.408 178.079 176.600 0.118 0.000 0.993 261 E CA 0.778 57.273 56.400 0.159 0.000 0.819 261 E CB -0.381 29.494 29.700 0.292 0.000 0.745 261 E HN 0.217 nan 8.360 nan 0.000 0.477 262 L N -0.831 120.428 121.223 0.061 0.000 2.628 262 L HA 0.220 4.559 4.340 -0.000 0.000 0.229 262 L C 1.184 178.041 176.870 -0.022 0.000 1.137 262 L CA 0.236 55.055 54.840 -0.035 0.000 0.909 262 L CB 0.478 42.437 42.059 -0.168 0.000 1.137 262 L HN 0.254 nan 8.230 nan 0.000 0.470 263 G N 1.318 110.121 108.800 0.006 0.000 2.203 263 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.263 263 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.263 263 G C 0.250 175.142 174.900 -0.014 0.000 1.012 263 G CA 0.584 45.682 45.100 -0.002 0.000 0.749 263 G HN 0.295 nan 8.290 nan 0.000 0.512 264 V N -0.908 118.999 119.914 -0.012 0.000 2.465 264 V HA 0.784 4.904 4.120 -0.000 0.000 0.279 264 V C -0.115 175.955 176.094 -0.042 0.000 1.045 264 V CA -0.612 61.673 62.300 -0.024 0.000 0.938 264 V CB 1.824 33.641 31.823 -0.011 0.000 0.986 264 V HN 0.380 nan 8.190 nan 0.000 0.467 265 N N 4.948 123.607 118.700 -0.069 0.000 2.664 265 N HA 0.329 5.069 4.740 -0.000 0.000 0.268 265 N C -1.781 173.639 175.510 -0.151 0.000 1.222 265 N CA -0.171 52.818 53.050 -0.102 0.000 0.805 265 N CB 1.848 40.291 38.487 -0.072 0.000 1.399 265 N HN 0.588 nan 8.380 nan 0.000 0.547 266 V N 2.255 122.014 119.914 -0.258 0.000 2.409 266 V HA 0.493 4.613 4.120 -0.000 0.000 0.291 266 V C 0.214 175.946 176.094 -0.602 0.000 1.020 266 V CA -0.453 61.623 62.300 -0.375 0.000 0.848 266 V CB 1.648 33.232 31.823 -0.398 0.000 0.990 266 V HN 0.455 nan 8.190 nan 0.000 0.430 267 T N 5.019 119.322 114.554 -0.419 0.000 2.758 267 T HA 0.397 4.747 4.350 -0.000 0.000 0.285 267 T C -0.670 173.901 174.700 -0.214 0.000 0.981 267 T CA -0.274 61.631 62.100 -0.326 0.000 0.965 267 T CB 0.474 69.265 68.868 -0.128 0.000 0.927 267 T HN 0.558 nan 8.240 nan 0.000 0.448 268 W N 3.224 124.598 121.300 0.123 0.000 2.361 268 W HA 0.384 5.044 4.660 -0.000 0.000 0.309 268 W C 0.880 177.545 176.519 0.243 0.000 1.122 268 W CA -1.180 56.266 57.345 0.168 0.000 1.208 268 W CB 0.619 30.226 29.460 0.244 0.000 1.246 268 W HN 0.706 nan 8.180 nan 0.000 0.490 269 K N 1.370 121.963 120.400 0.321 0.000 2.352 269 K HA 0.045 4.365 4.320 -0.000 0.000 0.194 269 K C 0.769 177.422 176.600 0.087 0.000 1.038 269 K CA 0.508 56.922 56.287 0.213 0.000 1.023 269 K CB 0.644 33.211 32.500 0.112 0.000 0.840 269 K HN 0.377 nan 8.250 nan 0.000 0.519 270 S N -1.748 113.861 115.700 -0.152 0.000 2.671 270 S HA 0.531 5.001 4.470 -0.000 0.000 0.277 270 S C 0.710 174.607 174.600 -1.172 0.000 1.165 270 S CA -0.471 57.312 58.200 -0.696 0.000 0.822 270 S CB 1.528 64.519 63.200 -0.348 0.000 1.150 270 S HN -0.038 nan 8.310 nan 0.000 0.479 271 A N 0.736 122.693 122.820 -1.438 0.000 1.940 271 A HA -0.066 4.254 4.320 -0.000 0.000 0.219 271 A C 1.719 179.061 177.584 -0.404 0.000 1.176 271 A CA 2.156 53.696 52.037 -0.828 0.000 0.631 271 A CB -1.266 17.483 19.000 -0.418 0.000 0.814 271 A HN 0.867 nan 8.150 nan 0.000 0.446 272 E N 0.220 120.226 120.200 -0.323 0.000 2.268 272 E HA -0.108 4.242 4.350 -0.000 0.000 0.195 272 E C 1.740 178.238 176.600 -0.168 0.000 0.995 272 E CA 1.165 57.446 56.400 -0.198 0.000 0.836 272 E CB -0.180 29.434 29.700 -0.144 0.000 0.763 272 E HN 0.770 nan 8.360 nan 0.000 0.491 273 E N 0.092 120.195 120.200 -0.162 0.000 2.371 273 E HA 0.000 4.350 4.350 -0.000 0.000 0.194 273 E C -0.050 176.421 176.600 -0.216 0.000 1.012 273 E CA 0.049 56.420 56.400 -0.048 0.000 0.860 273 E CB 0.362 30.143 29.700 0.135 0.000 0.811 273 E HN 0.024 nan 8.360 nan 0.000 0.502 274 V N 2.122 121.709 119.914 -0.544 0.000 2.458 274 V HA 0.147 4.267 4.120 -0.000 0.000 0.287 274 V C 0.213 175.945 176.094 -0.604 0.000 1.009 274 V CA 0.287 61.891 62.300 -1.160 0.000 1.091 274 V CB 0.131 31.409 31.823 -0.909 0.000 0.960 274 V HN 0.172 nan 8.190 nan 0.000 0.476 275 A N 7.030 129.585 122.820 -0.443 0.000 2.587 275 A HA 0.884 5.204 4.320 -0.000 0.000 0.293 275 A C -3.052 174.526 177.584 -0.010 0.000 1.087 275 A CA -1.694 50.261 52.037 -0.136 0.000 0.692 275 A CB 1.742 20.724 19.000 -0.030 0.000 1.291 275 A HN 0.594 nan 8.150 nan 0.000 0.407 276 P HA 0.473 nan 4.420 nan 0.000 0.269 276 P C -1.191 176.153 177.300 0.073 0.000 1.209 276 P CA 0.160 63.272 63.100 0.020 0.000 0.776 276 P CB 0.271 31.962 31.700 -0.014 0.000 0.876 277 L N 1.355 122.634 121.223 0.092 0.000 2.370 277 L HA 0.760 5.100 4.340 -0.000 0.000 0.266 277 L C -0.098 176.809 176.870 0.063 0.000 1.002 277 L CA -0.816 54.079 54.840 0.091 0.000 0.818 277 L CB 1.615 43.749 42.059 0.125 0.000 1.325 277 L HN 0.282 nan 8.230 nan 0.000 0.418 278 A N 2.635 125.472 122.820 0.029 0.000 2.331 278 A HA 0.939 5.259 4.320 -0.000 0.000 0.320 278 A C -1.293 176.272 177.584 -0.031 0.000 1.138 278 A CA -0.386 51.650 52.037 -0.002 0.000 0.790 278 A CB 0.801 19.788 19.000 -0.022 0.000 1.206 278 A HN 0.508 nan 8.150 nan 0.000 0.470 279 L N 2.136 123.314 121.223 -0.075 0.000 2.381 279 L HA 0.459 4.799 4.340 -0.000 0.000 0.274 279 L C 0.216 176.991 176.870 -0.159 0.000 0.988 279 L CA -0.314 54.452 54.840 -0.124 0.000 0.824 279 L CB 1.734 43.680 42.059 -0.189 0.000 1.263 279 L HN 0.868 nan 8.230 nan 0.000 0.410 280 E N 0.963 121.090 120.200 -0.120 0.000 2.283 280 E HA 0.467 4.817 4.350 -0.000 0.000 0.267 280 E C -0.604 175.936 176.600 -0.099 0.000 1.045 280 E CA -0.838 55.499 56.400 -0.104 0.000 0.884 280 E CB 0.389 30.047 29.700 -0.070 0.000 1.106 280 E HN 0.517 nan 8.360 nan 0.000 0.408 281 N N -0.766 117.899 118.700 -0.058 0.000 2.727 281 N HA -0.152 4.588 4.740 -0.000 0.000 0.251 281 N C -1.625 173.879 175.510 -0.009 0.000 1.040 281 N CA 0.504 53.549 53.050 -0.009 0.000 0.712 281 N CB -0.853 37.636 38.487 0.003 0.000 0.912 281 N HN 0.284 nan 8.380 nan 0.000 0.545 282 V N 0.304 120.214 119.914 -0.007 0.000 2.398 282 V HA 0.280 4.400 4.120 -0.000 0.000 0.286 282 V C 0.425 176.699 176.094 0.299 0.000 1.026 282 V CA -0.692 61.588 62.300 -0.033 0.000 0.868 282 V CB 1.796 33.380 31.823 -0.397 0.000 0.982 282 V HN 0.110 nan 8.190 nan 0.000 0.443 283 E N 6.462 126.870 120.200 0.347 0.000 2.289 283 E HA 0.331 4.681 4.350 -0.000 0.000 0.278 283 E C -2.385 174.297 176.600 0.138 0.000 1.032 283 E CA -1.898 54.648 56.400 0.245 0.000 0.854 283 E CB 1.561 31.367 29.700 0.177 0.000 1.046 283 E HN 0.418 nan 8.360 nan 0.000 0.409 284 P HA 0.086 nan 4.420 nan 0.000 0.276 284 P C -0.563 176.702 177.300 -0.058 0.000 1.244 284 P CA -0.523 62.289 63.100 -0.480 0.000 0.801 284 P CB 0.675 31.475 31.700 -1.500 0.000 1.006 285 W N 2.760 124.049 121.300 -0.020 0.000 2.316 285 W HA 0.399 5.059 4.660 -0.000 0.000 0.311 285 W C -0.258 176.254 176.519 -0.012 0.000 1.217 285 W CA 0.785 58.133 57.345 0.006 0.000 1.199 285 W CB 0.813 30.317 29.460 0.074 0.000 1.202 285 W HN 0.507 nan 8.180 nan 0.000 0.528 286 S N 3.181 118.415 115.700 -0.777 0.000 2.638 286 S HA 0.687 5.157 4.470 -0.000 0.000 0.274 286 S C 0.330 173.857 174.600 -1.788 0.000 1.157 286 S CA -0.392 57.280 58.200 -0.881 0.000 0.826 286 S CB 1.295 64.404 63.200 -0.151 0.000 1.139 286 S HN 0.883 nan 8.310 nan 0.000 0.474 287 A N 0.668 122.331 122.820 -1.928 0.000 1.933 287 A HA -0.025 4.295 4.320 -0.000 0.000 0.218 287 A C 1.832 178.878 177.584 -0.896 0.000 1.175 287 A CA 1.790 52.913 52.037 -1.523 0.000 0.628 287 A CB -1.114 16.886 19.000 -1.667 0.000 0.814 287 A HN 0.908 nan 8.150 nan 0.000 0.444 288 E N -0.924 118.915 120.200 -0.601 0.000 2.106 288 E HA -0.010 4.340 4.350 -0.000 0.000 0.192 288 E C -0.331 176.069 176.600 -0.333 0.000 0.984 288 E CA 1.066 57.264 56.400 -0.336 0.000 0.806 288 E CB 0.083 29.695 29.700 -0.147 0.000 0.750 288 E HN 0.322 nan 8.360 nan 0.000 0.458 289 V N 2.300 121.953 119.914 -0.435 0.000 2.383 289 V HA 0.162 4.282 4.120 -0.000 0.000 0.264 289 V C -2.467 173.283 176.094 -0.573 0.000 1.001 289 V CA -1.176 60.904 62.300 -0.367 0.000 0.828 289 V CB 1.192 32.871 31.823 -0.240 0.000 1.069 289 V HN 0.036 nan 8.190 nan 0.000 0.451 290 P HA 0.158 nan 4.420 nan 0.000 0.218 290 P C 0.117 177.280 177.300 -0.229 0.000 1.793 290 P CA -0.488 62.083 63.100 -0.882 0.000 0.941 290 P CB 0.069 31.500 31.700 -0.449 0.000 1.919 291 R N 2.163 122.568 120.500 -0.158 0.000 2.446 291 R HA 0.187 4.527 4.340 -0.000 0.000 0.314 291 R C -0.528 175.882 176.300 0.182 0.000 1.003 291 R CA 0.418 56.510 56.100 -0.013 0.000 1.018 291 R CB -0.917 29.362 30.300 -0.035 0.000 0.945 291 R HN 0.283 nan 8.270 nan 0.000 0.419 292 L N 5.661 126.924 121.223 0.066 0.000 2.334 292 L HA 0.453 4.793 4.340 -0.000 0.000 0.276 292 L C -0.761 176.061 176.870 -0.080 0.000 1.014 292 L CA -1.058 53.857 54.840 0.126 0.000 0.815 292 L CB 1.470 43.624 42.059 0.159 0.000 1.268 292 L HN 0.568 nan 8.230 nan 0.000 0.428 293 Y N 0.998 121.426 120.300 0.215 0.000 2.335 293 Y HA 0.271 4.821 4.550 -0.000 0.000 0.338 293 Y C 0.223 176.204 175.900 0.135 0.000 0.977 293 Y CA -0.963 57.255 58.100 0.197 0.000 1.114 293 Y CB 1.361 40.010 38.460 0.315 0.000 1.182 293 Y HN 0.418 nan 8.280 nan 0.000 0.463 294 E N 2.424 122.758 120.200 0.224 0.000 2.384 294 E HA 0.471 4.821 4.350 -0.000 0.000 0.266 294 E C -0.525 176.164 176.600 0.147 0.000 1.012 294 E CA -0.036 56.449 56.400 0.142 0.000 0.901 294 E CB 1.174 30.928 29.700 0.091 0.000 0.967 294 E HN 0.699 nan 8.360 nan 0.000 0.435 295 A N 1.954 124.837 122.820 0.105 0.000 2.566 295 A HA 0.711 5.031 4.320 -0.000 0.000 0.292 295 A C -0.728 176.886 177.584 0.051 0.000 1.112 295 A CA -0.488 51.600 52.037 0.085 0.000 0.707 295 A CB 1.713 20.771 19.000 0.097 0.000 1.302 295 A HN 0.601 nan 8.150 nan 0.000 0.409 296 S N -0.736 114.984 115.700 0.034 0.000 2.564 296 S HA 0.765 5.235 4.470 -0.000 0.000 0.274 296 S C -0.870 173.737 174.600 0.013 0.000 1.124 296 S CA -0.136 58.075 58.200 0.018 0.000 0.869 296 S CB 1.133 64.334 63.200 0.003 0.000 1.105 296 S HN 2.078 nan 8.310 nan 0.000 0.472 297 V N 0.149 120.074 119.914 0.018 0.000 2.487 297 V HA 0.963 5.083 4.120 -0.000 0.000 0.298 297 V C -0.342 175.749 176.094 -0.005 0.000 1.028 297 V CA -0.408 61.908 62.300 0.026 0.000 0.860 297 V CB 0.630 32.512 31.823 0.097 0.000 0.991 297 V HN 1.311 nan 8.190 nan 0.000 0.427 298 S N 2.552 118.234 115.700 -0.030 0.000 2.540 298 S HA 0.879 5.349 4.470 -0.000 0.000 0.275 298 S C -0.289 174.272 174.600 -0.066 0.000 1.123 298 S CA -0.094 58.077 58.200 -0.047 0.000 0.907 298 S CB 1.786 64.959 63.200 -0.045 0.000 1.081 298 S HN 1.746 nan 8.310 nan 0.000 0.476 299 S N 1.332 116.984 115.700 -0.080 0.000 2.747 299 S HA 0.802 5.271 4.470 -0.000 0.000 0.300 299 S C 1.380 175.944 174.600 -0.060 0.000 1.121 299 S CA -0.480 57.667 58.200 -0.088 0.000 0.995 299 S CB 0.838 63.962 63.200 -0.127 0.000 1.113 299 S HN 1.548 nan 8.310 nan 0.000 0.547 300 A N 0.453 123.245 122.820 -0.047 0.000 1.986 300 A HA 0.127 4.447 4.320 -0.000 0.000 0.220 300 A C 2.128 179.689 177.584 -0.039 0.000 1.171 300 A CA 1.918 53.935 52.037 -0.034 0.000 0.640 300 A CB -1.475 17.512 19.000 -0.021 0.000 0.811 300 A HN 1.337 nan 8.150 nan 0.000 0.451 301 A N -1.793 120.997 122.820 -0.050 0.000 2.147 301 A HA 0.355 4.675 4.320 -0.000 0.000 0.211 301 A C 0.727 178.271 177.584 -0.068 0.000 1.160 301 A CA 0.843 52.846 52.037 -0.056 0.000 0.781 301 A CB 0.055 19.020 19.000 -0.059 0.000 0.842 301 A HN 0.557 nan 8.150 nan 0.000 0.475 302 E N -0.968 119.190 120.200 -0.069 0.000 2.363 302 E HA 0.468 4.818 4.350 -0.000 0.000 0.281 302 E C -1.640 174.922 176.600 -0.063 0.000 0.953 302 E CA -0.373 55.983 56.400 -0.074 0.000 0.778 302 E CB 1.596 31.243 29.700 -0.088 0.000 1.220 302 E HN 0.030 nan 8.360 nan 0.000 0.431 303 S N 4.029 119.696 115.700 -0.056 0.000 2.502 303 S HA 0.602 5.072 4.470 -0.000 0.000 0.304 303 S C -0.928 173.648 174.600 -0.040 0.000 1.097 303 S CA -0.573 57.601 58.200 -0.042 0.000 1.045 303 S CB 0.558 63.737 63.200 -0.034 0.000 1.019 303 S HN 0.441 nan 8.310 nan 0.000 0.481 304 I N 3.626 124.179 120.570 -0.029 0.000 2.378 304 I HA 0.350 4.519 4.170 -0.000 0.000 0.291 304 I C -0.092 176.025 176.117 0.000 0.000 0.992 304 I CA -0.426 60.861 61.300 -0.022 0.000 1.154 304 I CB 2.081 40.068 38.000 -0.021 0.000 1.315 304 I HN 0.457 nan 8.210 nan 0.000 0.448 305 S N 5.403 121.109 115.700 0.011 0.000 2.457 305 S HA 0.644 5.114 4.470 -0.000 0.000 0.289 305 S C -0.225 174.400 174.600 0.042 0.000 1.163 305 S CA -0.653 57.557 58.200 0.018 0.000 1.078 305 S CB 1.574 64.770 63.200 -0.007 0.000 0.987 305 S HN 0.318 nan 8.310 nan 0.000 0.482 306 V N 3.505 123.444 119.914 0.042 0.000 2.823 306 V HA 0.530 4.650 4.120 -0.000 0.000 0.312 306 V C -0.345 175.782 176.094 0.055 0.000 1.072 306 V CA -1.122 61.209 62.300 0.051 0.000 0.937 306 V CB 2.058 33.906 31.823 0.040 0.000 1.013 306 V HN 0.767 nan 8.190 nan 0.000 0.430 307 R N 3.265 123.801 120.500 0.059 0.000 2.265 307 R HA 0.647 4.987 4.340 -0.000 0.000 0.328 307 R C -1.243 175.085 176.300 0.047 0.000 0.969 307 R CA -0.520 55.625 56.100 0.076 0.000 0.832 307 R CB 1.236 31.589 30.300 0.089 0.000 1.139 307 R HN 0.548 nan 8.270 nan 0.000 0.457 308 L N 2.237 123.501 121.223 0.068 0.000 2.276 308 L HA 0.472 4.812 4.340 -0.000 0.000 0.286 308 L C 0.750 177.629 176.870 0.016 0.000 1.061 308 L CA -0.551 54.245 54.840 -0.073 0.000 0.807 308 L CB 1.504 43.441 42.059 -0.203 0.000 1.177 308 L HN 0.730 nan 8.230 nan 0.000 0.429 309 G N 2.843 111.572 108.800 -0.118 0.000 2.502 309 G HA2 0.573 4.533 3.960 -0.000 0.000 0.311 309 G HA3 0.573 4.533 3.960 -0.000 0.000 0.311 309 G C -1.043 173.868 174.900 0.019 0.000 1.270 309 G CA -0.332 44.810 45.100 0.070 0.000 0.948 309 G HN 0.285 nan 8.290 nan 0.000 0.487 310 F N 2.335 122.478 119.950 0.323 0.000 2.421 310 F HA 0.613 5.140 4.527 -0.000 0.000 0.358 310 F C 0.862 176.857 175.800 0.324 0.000 1.115 310 F CA -0.393 57.789 58.000 0.305 0.000 1.160 310 F CB 1.455 40.669 39.000 0.356 0.000 1.123 310 F HN 0.604 nan 8.300 nan 0.000 0.508 311 R N 0.176 120.941 120.500 0.441 0.000 2.634 311 R HA 0.657 4.997 4.340 -0.000 0.000 0.263 311 R C -1.818 174.694 176.300 0.353 0.000 1.060 311 R CA -0.851 55.505 56.100 0.426 0.000 0.898 311 R CB 1.049 31.633 30.300 0.474 0.000 1.253 311 R HN 0.295 nan 8.270 nan 0.000 0.461 312 T N 1.748 116.511 114.554 0.349 0.000 2.812 312 T HA 0.481 4.831 4.350 -0.000 0.000 0.282 312 T C -0.904 173.895 174.700 0.166 0.000 0.990 312 T CA -0.718 61.525 62.100 0.238 0.000 0.960 312 T CB 1.609 70.618 68.868 0.235 0.000 0.948 312 T HN 0.373 nan 8.240 nan 0.000 0.438 313 V N 5.514 125.478 119.914 0.082 0.000 2.370 313 V HA 0.600 4.720 4.120 -0.000 0.000 0.279 313 V C 0.054 176.070 176.094 -0.131 0.000 1.029 313 V CA -0.722 61.545 62.300 -0.056 0.000 0.870 313 V CB 0.889 32.677 31.823 -0.060 0.000 0.984 313 V HN 0.648 nan 8.190 nan 0.000 0.451 314 R N 4.500 124.872 120.500 -0.212 0.000 2.621 314 R HA 0.588 4.928 4.340 -0.000 0.000 0.284 314 R C -1.148 174.994 176.300 -0.264 0.000 0.998 314 R CA -0.666 55.331 56.100 -0.171 0.000 0.895 314 R CB 2.606 32.869 30.300 -0.061 0.000 1.195 314 R HN 0.593 nan 8.270 nan 0.000 0.450 315 I N 2.409 122.853 120.570 -0.210 0.000 2.331 315 I HA 0.284 4.454 4.170 -0.000 0.000 0.292 315 I C -0.117 175.974 176.117 -0.043 0.000 0.998 315 I CA -0.782 60.435 61.300 -0.138 0.000 1.267 315 I CB 1.627 39.574 38.000 -0.088 0.000 1.386 315 I HN 0.072 nan 8.210 nan 0.000 0.476 316 V N 6.544 126.458 119.914 0.000 0.000 2.380 316 V HA 0.529 4.649 4.120 -0.000 0.000 0.286 316 V C 0.803 176.928 176.094 0.052 0.000 1.015 316 V CA -0.004 62.311 62.300 0.024 0.000 0.834 316 V CB 0.555 32.396 31.823 0.031 0.000 1.009 316 V HN 1.128 nan 8.190 nan 0.000 0.428 317 G N 5.476 114.304 108.800 0.047 0.000 2.629 317 G HA2 -0.350 3.609 3.960 -0.000 0.000 0.313 317 G HA3 -0.350 3.609 3.960 -0.000 0.000 0.313 317 G C 0.499 175.453 174.900 0.090 0.000 1.217 317 G CA 0.819 45.956 45.100 0.061 0.000 0.994 317 G HN 1.011 nan 8.290 nan 0.000 0.549 318 D N 1.008 121.481 120.400 0.121 0.000 2.358 318 D HA 0.249 4.888 4.640 -0.000 0.000 0.224 318 D C 0.530 177.000 176.300 0.282 0.000 1.123 318 D CA 0.368 54.477 54.000 0.180 0.000 0.833 318 D CB 0.195 41.101 40.800 0.177 0.000 0.946 318 D HN 0.412 nan 8.370 nan 0.000 0.505 319 Q N 0.419 120.360 119.800 0.235 0.000 2.316 319 Q HA 0.301 4.641 4.340 -0.000 0.000 0.264 319 Q C -1.251 174.880 176.000 0.219 0.000 0.987 319 Q CA -0.720 55.284 55.803 0.335 0.000 0.852 319 Q CB 1.979 30.856 28.738 0.231 0.000 1.287 319 Q HN 0.261 nan 8.270 nan 0.000 0.448 320 F N 4.005 123.983 119.950 0.046 0.000 2.350 320 F HA 0.364 4.891 4.527 -0.000 0.000 0.365 320 F C -0.851 174.970 175.800 0.034 0.000 1.122 320 F CA -0.562 57.390 58.000 -0.081 0.000 1.139 320 F CB 0.413 39.230 39.000 -0.306 0.000 1.220 320 F HN 0.358 nan 8.300 nan 0.000 0.499 321 L N 6.710 127.884 121.223 -0.080 0.000 2.309 321 L HA 0.667 5.007 4.340 -0.000 0.000 0.282 321 L C -0.857 175.987 176.870 -0.044 0.000 1.036 321 L CA -1.169 53.685 54.840 0.024 0.000 0.806 321 L CB 1.675 43.759 42.059 0.042 0.000 1.220 321 L HN 0.221 nan 8.230 nan 0.000 0.429 322 V N 2.381 122.345 119.914 0.084 0.000 2.487 322 V HA 0.326 4.445 4.120 -0.000 0.000 0.298 322 V C -0.130 176.165 176.094 0.335 0.000 1.028 322 V CA -0.700 61.679 62.300 0.133 0.000 0.860 322 V CB 1.540 33.343 31.823 -0.033 0.000 0.991 322 V HN 0.899 nan 8.190 nan 0.000 0.427 323 N N 3.686 122.585 118.700 0.331 0.000 2.725 323 N HA -0.212 4.528 4.740 -0.000 0.000 0.249 323 N C 1.140 176.864 175.510 0.357 0.000 1.103 323 N CA 1.649 54.947 53.050 0.414 0.000 0.707 323 N CB -1.212 37.432 38.487 0.261 0.000 1.043 323 N HN 1.608 nan 8.380 nan 0.000 0.553 324 G N -0.999 107.954 108.800 0.255 0.000 2.179 324 G HA2 -0.372 3.587 3.960 -0.000 0.000 0.260 324 G HA3 -0.372 3.587 3.960 -0.000 0.000 0.260 324 G C 0.065 175.048 174.900 0.139 0.000 0.977 324 G CA 0.696 45.903 45.100 0.178 0.000 0.641 324 G HN 0.738 nan 8.290 nan 0.000 0.533 325 R N -0.033 120.567 120.500 0.167 0.000 2.621 325 R HA 0.593 4.933 4.340 -0.000 0.000 0.292 325 R C 0.658 177.101 176.300 0.238 0.000 0.969 325 R CA -0.990 55.186 56.100 0.126 0.000 0.887 325 R CB 0.845 31.098 30.300 -0.079 0.000 1.180 325 R HN 0.276 nan 8.270 nan 0.000 0.450 326 R N 2.839 123.444 120.500 0.175 0.000 2.537 326 R HA 0.025 4.365 4.340 -0.000 0.000 0.281 326 R C -1.027 175.357 176.300 0.140 0.000 0.988 326 R CA 0.201 56.409 56.100 0.181 0.000 1.077 326 R CB 0.438 30.802 30.300 0.105 0.000 0.932 326 R HN 0.288 nan 8.270 nan 0.000 0.409 327 V N 6.154 126.066 119.914 -0.004 0.000 2.370 327 V HA 0.197 4.317 4.120 -0.000 0.000 0.279 327 V C -0.111 175.672 176.094 -0.517 0.000 1.029 327 V CA -0.642 61.371 62.300 -0.478 0.000 0.870 327 V CB 1.655 32.790 31.823 -1.146 0.000 0.984 327 V HN 0.521 nan 8.190 nan 0.000 0.451 328 V N 6.150 125.781 119.914 -0.471 0.000 2.383 328 V HA 0.397 4.517 4.120 -0.000 0.000 0.275 328 V C -0.288 175.402 176.094 -0.672 0.000 1.036 328 V CA -0.340 61.682 62.300 -0.464 0.000 0.889 328 V CB 0.992 32.599 31.823 -0.360 0.000 0.985 328 V HN 0.644 nan 8.190 nan 0.000 0.459 329 F N 4.311 124.029 119.950 -0.386 0.000 2.424 329 F HA 0.398 4.925 4.527 -0.000 0.000 0.356 329 F C 0.809 176.343 175.800 -0.444 0.000 1.110 329 F CA -0.286 57.463 58.000 -0.418 0.000 1.161 329 F CB 0.497 39.187 39.000 -0.517 0.000 1.115 329 F HN 0.470 nan 8.300 nan 0.000 0.507 330 H N 2.990 122.066 119.070 0.010 0.000 2.486 330 H HA 0.396 4.952 4.556 -0.000 0.000 0.239 330 H C 0.422 175.821 175.328 0.119 0.000 1.480 330 H CA -0.605 55.505 56.048 0.102 0.000 1.324 330 H CB 0.600 30.406 29.762 0.074 0.000 1.486 330 H HN 0.771 nan 8.280 nan 0.000 0.544 331 G N 0.483 109.226 108.800 -0.095 0.000 2.667 331 G HA2 0.584 4.544 3.960 -0.000 0.000 0.310 331 G HA3 0.584 4.544 3.960 -0.000 0.000 0.310 331 G C -0.468 174.417 174.900 -0.025 0.000 1.259 331 G CA -0.651 44.291 45.100 -0.263 0.000 1.019 331 G HN 0.319 nan 8.290 nan 0.000 0.496 332 V N -2.168 117.795 119.914 0.082 0.000 2.876 332 V HA 0.580 4.700 4.120 -0.000 0.000 0.312 332 V C -0.614 175.543 176.094 0.105 0.000 1.085 332 V CA -1.511 60.808 62.300 0.031 0.000 0.945 332 V CB 1.979 33.730 31.823 -0.119 0.000 1.017 332 V HN 0.628 nan 8.190 nan 0.000 0.428 333 N N 3.358 122.056 118.700 -0.004 0.000 2.458 333 N HA 0.389 5.128 4.740 -0.000 0.000 0.270 333 N C -0.686 174.658 175.510 -0.277 0.000 1.102 333 N CA -0.262 52.694 53.050 -0.158 0.000 0.967 333 N CB 1.422 39.764 38.487 -0.242 0.000 1.078 333 N HN 0.731 nan 8.380 nan 0.000 0.471 334 R N 2.611 122.972 120.500 -0.231 0.000 2.604 334 R HA 0.262 4.602 4.340 -0.000 0.000 0.281 334 R C -1.217 175.012 176.300 -0.120 0.000 1.020 334 R CA -0.497 55.488 56.100 -0.191 0.000 0.899 334 R CB 1.477 31.642 30.300 -0.226 0.000 1.205 334 R HN 0.766 nan 8.270 nan 0.000 0.450 335 H N 0.666 119.682 119.070 -0.089 0.000 2.907 335 H HA 0.359 4.915 4.556 -0.000 0.000 0.361 335 H C -1.239 174.160 175.328 0.119 0.000 1.194 335 H CA -0.786 55.255 56.048 -0.012 0.000 1.152 335 H CB 1.590 31.308 29.762 -0.073 0.000 1.867 335 H HN 0.455 nan 8.280 nan 0.000 0.561 336 E N 0.748 121.126 120.200 0.296 0.000 2.376 336 E HA 0.226 4.576 4.350 -0.000 0.000 0.266 336 E C -0.820 175.920 176.600 0.234 0.000 1.009 336 E CA 0.468 57.014 56.400 0.243 0.000 0.902 336 E CB 0.589 30.483 29.700 0.322 0.000 0.972 336 E HN 0.640 nan 8.360 nan 0.000 0.439 337 T N 4.449 119.102 114.554 0.165 0.000 3.041 337 T HA 0.302 4.652 4.350 -0.000 0.000 0.321 337 T C -2.132 172.676 174.700 0.180 0.000 1.184 337 T CA -0.630 61.583 62.100 0.189 0.000 1.050 337 T CB 0.529 69.545 68.868 0.246 0.000 1.159 337 T HN 0.498 nan 8.240 nan 0.000 0.469 338 H N 4.579 123.695 119.070 0.076 0.000 3.026 338 H HA 0.334 4.890 4.556 -0.000 0.000 0.352 338 H C -2.521 172.827 175.328 0.033 0.000 1.090 338 H CA -1.575 54.493 56.048 0.034 0.000 1.268 338 H CB 2.869 32.650 29.762 0.031 0.000 1.816 338 H HN 0.354 nan 8.280 nan 0.000 0.518 339 P HA -0.047 nan 4.420 nan 0.000 0.225 339 P C 0.403 177.753 177.300 0.082 0.000 1.148 339 P CA 1.057 64.130 63.100 -0.044 0.000 0.779 339 P CB 0.569 32.284 31.700 0.024 0.000 0.780 340 D N -1.738 118.826 120.400 0.273 0.000 2.422 340 D HA 0.122 4.761 4.640 -0.000 0.000 0.218 340 D C 1.692 178.100 176.300 0.180 0.000 1.047 340 D CA 0.446 54.588 54.000 0.236 0.000 0.885 340 D CB 0.241 41.207 40.800 0.276 0.000 1.035 340 D HN 0.185 nan 8.370 nan 0.000 0.502 341 R N 0.124 120.774 120.500 0.250 0.000 2.446 341 R HA 0.333 4.673 4.340 -0.000 0.000 0.254 341 R C 1.166 177.591 176.300 0.208 0.000 0.918 341 R CA 0.412 56.589 56.100 0.129 0.000 1.069 341 R CB 1.780 32.068 30.300 -0.020 0.000 1.194 341 R HN 0.082 nan 8.270 nan 0.000 0.534 342 G N 2.063 110.981 108.800 0.197 0.000 2.531 342 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.274 342 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.274 342 G C 0.237 175.303 174.900 0.277 0.000 1.159 342 G CA 0.111 45.313 45.100 0.170 0.000 0.969 342 G HN 0.330 nan 8.290 nan 0.000 0.554 343 R N -0.191 120.579 120.500 0.449 0.000 2.426 343 R HA 0.375 4.715 4.340 -0.000 0.000 0.263 343 R C 0.485 177.014 176.300 0.382 0.000 0.961 343 R CA -0.029 56.275 56.100 0.341 0.000 1.086 343 R CB 0.498 30.881 30.300 0.138 0.000 1.186 343 R HN 0.294 nan 8.270 nan 0.000 0.537 344 V N 2.228 122.314 119.914 0.288 0.000 2.585 344 V HA -0.046 4.074 4.120 -0.000 0.000 0.296 344 V C 0.185 176.386 176.094 0.178 0.000 1.035 344 V CA 0.010 62.430 62.300 0.199 0.000 1.084 344 V CB 0.015 31.868 31.823 0.050 0.000 0.953 344 V HN 0.069 nan 8.190 nan 0.000 0.483 345 F N 4.675 124.636 119.950 0.019 0.000 2.399 345 F HA 0.473 5.000 4.527 -0.000 0.000 0.342 345 F C 0.086 175.802 175.800 -0.140 0.000 1.106 345 F CA -0.471 57.473 58.000 -0.093 0.000 1.196 345 F CB 1.086 39.900 39.000 -0.311 0.000 1.163 345 F HN 0.621 nan 8.300 nan 0.000 0.547 346 D N 4.045 123.895 120.400 -0.918 0.000 2.620 346 D HA 0.136 4.776 4.640 -0.000 0.000 0.252 346 D C 0.499 176.160 176.300 -1.064 0.000 1.207 346 D CA -0.342 53.219 54.000 -0.731 0.000 0.884 346 D CB 1.279 41.838 40.800 -0.402 0.000 1.262 346 D HN 0.709 nan 8.370 nan 0.000 0.552 347 E N 3.025 122.747 120.200 -0.797 0.000 2.077 347 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 347 E C 1.687 178.140 176.600 -0.245 0.000 0.989 347 E CA 1.331 57.449 56.400 -0.470 0.000 0.800 347 E CB 0.088 29.794 29.700 0.010 0.000 0.746 347 E HN 0.566 nan 8.360 nan 0.000 0.452 348 A N 0.751 123.467 122.820 -0.173 0.000 1.902 348 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 348 A C 2.428 179.958 177.584 -0.091 0.000 1.181 348 A CA 1.811 53.796 52.037 -0.087 0.000 0.623 348 A CB -1.282 17.683 19.000 -0.059 0.000 0.818 348 A HN 0.466 nan 8.150 nan 0.000 0.443 349 G N -0.559 108.150 108.800 -0.150 0.000 2.418 349 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.217 349 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.217 349 G C 1.759 176.603 174.900 -0.092 0.000 1.158 349 G CA 1.508 46.546 45.100 -0.104 0.000 0.771 349 G HN 0.813 nan 8.290 nan 0.000 0.545 350 A N 0.598 123.301 122.820 -0.196 0.000 1.902 350 A HA -0.015 4.305 4.320 -0.000 0.000 0.217 350 A C 2.410 179.985 177.584 -0.016 0.000 1.181 350 A CA 1.729 53.708 52.037 -0.097 0.000 0.623 350 A CB -0.434 18.512 19.000 -0.090 0.000 0.818 350 A HN 0.345 nan 8.150 nan 0.000 0.443 351 R N -0.542 119.956 120.500 -0.003 0.000 2.083 351 R HA -0.123 4.217 4.340 -0.000 0.000 0.237 351 R C 2.186 178.524 176.300 0.063 0.000 1.137 351 R CA 1.513 57.644 56.100 0.051 0.000 0.951 351 R CB -0.258 30.077 30.300 0.058 0.000 0.851 351 R HN 0.562 nan 8.270 nan 0.000 0.434 352 E N 0.428 120.659 120.200 0.051 0.000 2.110 352 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 352 E C 1.577 178.236 176.600 0.099 0.000 0.988 352 E CA 1.217 57.664 56.400 0.078 0.000 0.804 352 E CB -0.223 29.516 29.700 0.064 0.000 0.745 352 E HN 0.312 nan 8.360 nan 0.000 0.458 353 D N 0.433 120.879 120.400 0.076 0.000 2.092 353 D HA -0.149 4.491 4.640 -0.000 0.000 0.193 353 D C 1.895 178.202 176.300 0.012 0.000 0.994 353 D CA 0.764 54.830 54.000 0.108 0.000 0.828 353 D CB -0.020 40.823 40.800 0.071 0.000 0.963 353 D HN -0.002 nan 8.370 nan 0.000 0.450 354 L N 0.389 121.578 121.223 -0.057 0.000 2.141 354 L HA 0.047 4.387 4.340 -0.000 0.000 0.209 354 L C 2.384 179.295 176.870 0.069 0.000 1.094 354 L CA 1.444 56.228 54.840 -0.092 0.000 0.763 354 L CB -1.028 40.999 42.059 -0.054 0.000 0.908 354 L HN 0.067 nan 8.230 nan 0.000 0.437 355 A N -0.820 122.059 122.820 0.097 0.000 1.898 355 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 355 A C 2.255 179.924 177.584 0.142 0.000 1.181 355 A CA 1.642 53.762 52.037 0.138 0.000 0.620 355 A CB -0.817 18.309 19.000 0.209 0.000 0.819 355 A HN 0.326 nan 8.150 nan 0.000 0.442 356 L N -0.355 120.987 121.223 0.198 0.000 2.042 356 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 356 L C 2.516 179.613 176.870 0.378 0.000 1.076 356 L CA 2.168 57.211 54.840 0.339 0.000 0.749 356 L CB -0.520 41.779 42.059 0.400 0.000 0.893 356 L HN 0.459 nan 8.230 nan 0.000 0.432 357 M N -0.859 118.788 119.600 0.079 0.000 2.073 357 M HA -0.278 4.202 4.480 -0.000 0.000 0.258 357 M C 2.232 178.522 176.300 -0.017 0.000 1.070 357 M CA 1.979 57.169 55.300 -0.184 0.000 1.103 357 M CB -0.533 31.773 32.600 -0.490 0.000 1.321 357 M HN 0.173 nan 8.290 nan 0.000 0.405 358 K N -0.123 120.159 120.400 -0.197 0.000 2.103 358 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 358 K C 1.994 178.283 176.600 -0.519 0.000 1.048 358 K CA 1.176 57.042 56.287 -0.701 0.000 0.930 358 K CB -0.286 31.243 32.500 -1.618 0.000 0.716 358 K HN 0.383 nan 8.250 nan 0.000 0.444 359 R N -0.267 120.154 120.500 -0.133 0.000 2.193 359 R HA -0.070 4.270 4.340 -0.000 0.000 0.229 359 R C 0.968 177.206 176.300 -0.103 0.000 1.110 359 R CA 0.932 57.031 56.100 -0.002 0.000 0.988 359 R CB -0.018 30.293 30.300 0.019 0.000 0.871 359 R HN 0.137 nan 8.270 nan 0.000 0.458 360 F N 0.566 120.590 119.950 0.124 0.000 2.750 360 F HA 0.225 4.752 4.527 -0.000 0.000 0.297 360 F C 0.206 176.106 175.800 0.166 0.000 1.138 360 F CA -0.465 57.624 58.000 0.149 0.000 1.346 360 F CB 0.281 39.382 39.000 0.169 0.000 0.965 360 F HN -0.057 nan 8.300 nan 0.000 0.514 361 N N -0.638 118.144 118.700 0.136 0.000 2.782 361 N HA -0.165 4.575 4.740 -0.000 0.000 0.251 361 N C -0.433 175.151 175.510 0.124 0.000 1.101 361 N CA 0.450 53.527 53.050 0.045 0.000 0.764 361 N CB -1.655 36.800 38.487 -0.053 0.000 1.122 361 N HN 0.057 nan 8.380 nan 0.000 0.561 362 V N 2.063 122.100 119.914 0.206 0.000 2.521 362 V HA 0.074 4.194 4.120 -0.000 0.000 0.286 362 V C 1.469 177.621 176.094 0.097 0.000 1.034 362 V CA 0.338 62.785 62.300 0.246 0.000 1.045 362 V CB 1.325 33.219 31.823 0.119 0.000 0.974 362 V HN 0.454 nan 8.190 nan 0.000 0.480 363 N N 2.719 121.512 118.700 0.153 0.000 2.177 363 N HA 0.390 5.130 4.740 -0.000 0.000 0.218 363 N C -0.309 175.347 175.510 0.244 0.000 1.182 363 N CA 0.402 53.466 53.050 0.024 0.000 0.882 363 N CB 1.134 39.630 38.487 0.016 0.000 1.052 363 N HN 0.669 nan 8.380 nan 0.000 0.519 364 A N 0.144 123.193 122.820 0.381 0.000 2.594 364 A HA 0.749 5.069 4.320 -0.000 0.000 0.295 364 A C -1.640 176.166 177.584 0.369 0.000 1.071 364 A CA -0.686 51.632 52.037 0.469 0.000 0.685 364 A CB 1.170 20.442 19.000 0.454 0.000 1.285 364 A HN 0.141 nan 8.150 nan 0.000 0.405 365 I N 0.968 121.776 120.570 0.398 0.000 2.533 365 I HA 0.488 4.658 4.170 -0.000 0.000 0.290 365 I C -0.068 176.117 176.117 0.112 0.000 1.056 365 I CA -0.454 60.937 61.300 0.152 0.000 1.057 365 I CB 2.227 40.115 38.000 -0.187 0.000 1.240 365 I HN 0.773 nan 8.210 nan 0.000 0.423 366 R N 3.699 124.157 120.500 -0.070 0.000 2.294 366 R HA 0.417 4.756 4.340 -0.000 0.000 0.319 366 R C -0.265 175.891 176.300 -0.240 0.000 0.984 366 R CA -0.379 55.492 56.100 -0.382 0.000 0.861 366 R CB 1.249 31.111 30.300 -0.730 0.000 1.104 366 R HN 0.710 nan 8.270 nan 0.000 0.451 367 T N 1.521 115.949 114.554 -0.210 0.000 3.176 367 T HA 0.136 4.486 4.350 -0.000 0.000 0.301 367 T C 0.026 174.552 174.700 -0.291 0.000 1.115 367 T CA -0.689 61.298 62.100 -0.188 0.000 1.027 367 T CB 0.049 68.855 68.868 -0.102 0.000 1.063 367 T HN 0.504 nan 8.240 nan 0.000 0.669 368 S N 3.233 118.694 115.700 -0.399 0.000 2.448 368 S HA 0.260 4.730 4.470 -0.000 0.000 0.279 368 S C -0.268 173.731 174.600 -1.002 0.000 1.195 368 S CA -0.889 56.869 58.200 -0.736 0.000 1.051 368 S CB 0.076 62.842 63.200 -0.723 0.000 0.948 368 S HN 0.751 nan 8.310 nan 0.000 0.493 369 H N 3.835 122.404 119.070 -0.835 0.000 2.379 369 H HA 0.341 4.897 4.556 -0.000 0.000 0.229 369 H C -1.147 174.044 175.328 -0.227 0.000 1.423 369 H CA -0.320 55.527 56.048 -0.336 0.000 1.375 369 H CB -0.153 29.553 29.762 -0.092 0.000 1.592 369 H HN 0.890 nan 8.280 nan 0.000 0.507 370 Y N -2.727 117.621 120.300 0.079 0.000 2.765 370 Y HA 0.377 4.927 4.550 -0.000 0.000 0.350 370 Y C -3.416 172.506 175.900 0.036 0.000 1.196 370 Y CA -3.011 55.122 58.100 0.055 0.000 1.119 370 Y CB 0.018 38.506 38.460 0.045 0.000 1.368 370 Y HN -0.068 nan 8.280 nan 0.000 0.463 371 P HA 0.227 nan 4.420 nan 0.000 0.271 371 P C -2.434 174.984 177.300 0.198 0.000 1.216 371 P CA -0.668 62.525 63.100 0.156 0.000 0.776 371 P CB 0.620 32.364 31.700 0.073 0.000 0.881 372 P HA 0.055 nan 4.420 nan 0.000 0.302 372 P C -0.353 176.915 177.300 -0.055 0.000 1.307 372 P CA -0.196 62.962 63.100 0.097 0.000 0.754 372 P CB 0.385 32.104 31.700 0.032 0.000 1.298 373 H N 1.326 120.269 119.070 -0.213 0.000 2.928 373 H HA 0.019 4.574 4.556 -0.000 0.000 0.338 373 H C -1.266 173.653 175.328 -0.681 0.000 1.047 373 H CA -0.761 54.990 56.048 -0.494 0.000 1.435 373 H CB 0.481 29.777 29.762 -0.777 0.000 1.428 373 H HN 0.175 nan 8.280 nan 0.000 0.590 374 P HA -0.154 nan 4.420 nan 0.000 0.219 374 P C 1.448 178.157 177.300 -0.984 0.000 1.146 374 P CA 1.008 63.465 63.100 -1.071 0.000 0.808 374 P CB 0.254 30.812 31.700 -1.904 0.000 0.779 375 R N 0.159 120.205 120.500 -0.756 0.000 2.148 375 R HA -0.063 4.277 4.340 -0.000 0.000 0.227 375 R C 2.211 178.392 176.300 -0.198 0.000 1.103 375 R CA 0.694 56.579 56.100 -0.357 0.000 0.983 375 R CB -1.747 28.424 30.300 -0.215 0.000 0.874 375 R HN 0.076 nan 8.270 nan 0.000 0.451 376 L N 0.040 121.064 121.223 -0.331 0.000 2.079 376 L HA -0.111 4.229 4.340 -0.000 0.000 0.210 376 L C 1.731 178.530 176.870 -0.118 0.000 1.081 376 L CA 1.664 56.446 54.840 -0.096 0.000 0.752 376 L CB -0.260 41.752 42.059 -0.078 0.000 0.896 376 L HN 0.269 nan 8.230 nan 0.000 0.433 377 L N -1.023 120.035 121.223 -0.274 0.000 2.141 377 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 377 L C 2.104 178.833 176.870 -0.236 0.000 1.094 377 L CA 0.902 55.476 54.840 -0.443 0.000 0.763 377 L CB -0.740 40.689 42.059 -1.050 0.000 0.908 377 L HN 0.223 nan 8.230 nan 0.000 0.437 378 D N 0.076 120.492 120.400 0.028 0.000 2.144 378 D HA -0.140 4.500 4.640 -0.000 0.000 0.199 378 D C 2.351 178.767 176.300 0.192 0.000 0.984 378 D CA 1.231 55.384 54.000 0.254 0.000 0.834 378 D CB -0.082 40.949 40.800 0.384 0.000 0.955 378 D HN 0.285 nan 8.370 nan 0.000 0.465 379 L N 0.417 121.732 121.223 0.153 0.000 2.093 379 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 379 L C 2.519 179.508 176.870 0.199 0.000 1.085 379 L CA 0.977 55.918 54.840 0.168 0.000 0.755 379 L CB -0.449 41.702 42.059 0.153 0.000 0.904 379 L HN -0.042 nan 8.230 nan 0.000 0.435 380 A N 0.014 122.931 122.820 0.162 0.000 1.930 380 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 380 A C 1.898 179.692 177.584 0.349 0.000 1.175 380 A CA 1.691 53.896 52.037 0.280 0.000 0.627 380 A CB -0.409 18.671 19.000 0.134 0.000 0.815 380 A HN 0.328 nan 8.150 nan 0.000 0.443 381 D N -0.523 120.027 120.400 0.250 0.000 2.117 381 D HA -0.162 4.478 4.640 -0.000 0.000 0.197 381 D C 1.886 178.460 176.300 0.458 0.000 0.987 381 D CA 1.563 55.740 54.000 0.294 0.000 0.829 381 D CB -0.257 40.641 40.800 0.162 0.000 0.961 381 D HN 0.756 nan 8.370 nan 0.000 0.460 382 E N -0.249 120.130 120.200 0.299 0.000 2.086 382 E HA -0.039 4.311 4.350 -0.000 0.000 0.190 382 E C 1.961 178.663 176.600 0.170 0.000 0.975 382 E CA 0.357 56.894 56.400 0.229 0.000 0.813 382 E CB 0.106 29.913 29.700 0.179 0.000 0.768 382 E HN 0.181 nan 8.360 nan 0.000 0.457 383 M N -0.504 119.198 119.600 0.170 0.000 2.435 383 M HA 0.154 4.634 4.480 -0.000 0.000 0.265 383 M C 0.663 176.839 176.300 -0.207 0.000 1.104 383 M CA 0.856 56.188 55.300 0.055 0.000 1.140 383 M CB 0.878 33.571 32.600 0.154 0.000 1.372 383 M HN 0.215 nan 8.290 nan 0.000 0.456 384 G N 1.707 110.419 108.800 -0.145 0.000 2.858 384 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.272 384 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.272 384 G C -1.015 173.431 174.900 -0.757 0.000 1.003 384 G CA -0.839 43.987 45.100 -0.457 0.000 1.241 384 G HN 0.281 nan 8.290 nan 0.000 0.569 385 F N -0.282 119.594 119.950 -0.124 0.000 2.569 385 F HA 0.660 5.187 4.527 -0.000 0.000 0.312 385 F C 0.427 176.252 175.800 0.042 0.000 1.109 385 F CA -1.268 56.658 58.000 -0.124 0.000 0.919 385 F CB 1.354 40.332 39.000 -0.038 0.000 1.211 385 F HN 0.335 nan 8.300 nan 0.000 0.446 386 W N 2.981 124.510 121.300 0.382 0.000 2.251 386 W HA 0.540 5.200 4.660 -0.000 0.000 0.327 386 W C -0.730 175.994 176.519 0.341 0.000 1.361 386 W CA -0.597 56.983 57.345 0.392 0.000 1.234 386 W CB 0.443 30.144 29.460 0.403 0.000 1.212 386 W HN 0.087 nan 8.180 nan 0.000 0.557 387 V N 5.493 125.680 119.914 0.454 0.000 2.604 387 V HA 0.385 4.505 4.120 -0.000 0.000 0.305 387 V C -0.082 176.038 176.094 0.044 0.000 1.043 387 V CA -1.143 61.275 62.300 0.197 0.000 0.888 387 V CB 1.723 33.593 31.823 0.078 0.000 0.995 387 V HN 0.334 nan 8.190 nan 0.000 0.429 388 I N 5.526 126.030 120.570 -0.111 0.000 2.306 388 I HA 0.294 4.464 4.170 -0.000 0.000 0.288 388 I C -0.576 175.437 176.117 -0.173 0.000 1.036 388 I CA -0.415 60.727 61.300 -0.264 0.000 1.221 388 I CB 1.228 38.864 38.000 -0.608 0.000 1.385 388 I HN 0.288 nan 8.210 nan 0.000 0.472 389 L N 7.661 128.844 121.223 -0.067 0.000 2.257 389 L HA 0.429 4.769 4.340 -0.000 0.000 0.290 389 L C -0.234 176.739 176.870 0.173 0.000 1.044 389 L CA 0.103 54.984 54.840 0.069 0.000 0.810 389 L CB 1.201 43.358 42.059 0.164 0.000 1.193 389 L HN 0.666 nan 8.230 nan 0.000 0.425 390 E N 4.018 124.277 120.200 0.098 0.000 2.171 390 E HA 0.190 4.540 4.350 -0.000 0.000 0.271 390 E C -0.866 175.811 176.600 0.129 0.000 0.916 390 E CA -0.610 55.858 56.400 0.113 0.000 0.774 390 E CB 1.672 31.409 29.700 0.062 0.000 1.128 390 E HN 0.791 nan 8.360 nan 0.000 0.403 391 C N 3.752 123.122 119.300 0.117 0.000 2.679 391 C HA 0.056 4.516 4.460 -0.000 0.000 0.417 391 C C 0.402 175.458 174.990 0.110 0.000 1.302 391 C CA -0.134 58.926 59.018 0.072 0.000 1.973 391 C CB -0.028 27.712 27.740 0.001 0.000 2.715 391 C HN 0.758 nan 8.230 nan 0.000 0.628 392 D N 3.403 123.874 120.400 0.119 0.000 2.455 392 D HA 0.381 5.021 4.640 -0.000 0.000 0.234 392 D C -0.774 175.594 176.300 0.113 0.000 1.224 392 D CA 0.296 54.401 54.000 0.176 0.000 0.999 392 D CB -0.393 40.498 40.800 0.152 0.000 1.072 392 D HN 0.479 nan 8.370 nan 0.000 0.514 393 L N 2.814 124.103 121.223 0.110 0.000 2.614 393 L HA 0.465 4.805 4.340 -0.000 0.000 0.264 393 L C -1.725 175.185 176.870 0.066 0.000 0.940 393 L CA -0.317 54.557 54.840 0.057 0.000 0.903 393 L CB 2.004 44.049 42.059 -0.025 0.000 1.306 393 L HN 0.189 nan 8.230 nan 0.000 0.410 394 E N 1.990 122.246 120.200 0.093 0.000 2.349 394 E HA 0.461 4.811 4.350 -0.000 0.000 0.290 394 E C -0.908 175.810 176.600 0.196 0.000 0.901 394 E CA 0.083 56.542 56.400 0.098 0.000 0.800 394 E CB 1.475 31.209 29.700 0.056 0.000 1.303 394 E HN 0.621 nan 8.360 nan 0.000 0.397 395 T N 0.593 115.302 114.554 0.258 0.000 3.293 395 T HA 0.150 4.500 4.350 -0.000 0.000 0.276 395 T C 0.976 176.050 174.700 0.623 0.000 1.003 395 T CA -0.290 62.098 62.100 0.480 0.000 0.916 395 T CB -0.242 68.825 68.868 0.331 0.000 1.134 395 T HN 0.641 nan 8.240 nan 0.000 0.530 396 H N 1.139 120.354 119.070 0.241 0.000 2.390 396 H HA -0.069 4.487 4.556 -0.000 0.000 0.298 396 H C 2.384 177.669 175.328 -0.072 0.000 1.106 396 H CA 1.056 57.187 56.048 0.138 0.000 1.297 396 H CB -0.282 29.465 29.762 -0.024 0.000 1.375 396 H HN 0.580 nan 8.280 nan 0.000 0.509 397 G N -0.626 108.065 108.800 -0.181 0.000 2.501 397 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.220 397 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.220 397 G C 1.049 175.860 174.900 -0.149 0.000 1.114 397 G CA 0.332 45.214 45.100 -0.364 0.000 0.757 397 G HN 0.359 nan 8.290 nan 0.000 0.559 398 F N 0.314 120.288 119.950 0.041 0.000 2.748 398 F HA 0.164 4.691 4.527 -0.000 0.000 0.299 398 F C 2.311 177.732 175.800 -0.632 0.000 1.154 398 F CA 0.722 58.682 58.000 -0.066 0.000 1.446 398 F CB 0.201 39.341 39.000 0.234 0.000 1.112 398 F HN 0.251 nan 8.300 nan 0.000 0.584 399 E N 0.742 120.362 120.200 -0.966 0.000 2.051 399 E HA -0.225 4.125 4.350 -0.000 0.000 0.192 399 E C 2.451 178.628 176.600 -0.705 0.000 0.991 399 E CA 1.130 56.643 56.400 -1.479 0.000 0.799 399 E CB -0.114 29.052 29.700 -0.890 0.000 0.748 399 E HN 0.299 nan 8.360 nan 0.000 0.449 400 A N 0.647 123.205 122.820 -0.436 0.000 1.948 400 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 400 A C 2.168 179.626 177.584 -0.210 0.000 1.177 400 A CA 1.657 53.527 52.037 -0.279 0.000 0.636 400 A CB -0.898 17.958 19.000 -0.240 0.000 0.815 400 A HN 0.393 nan 8.150 nan 0.000 0.449 401 G N -1.709 106.976 108.800 -0.191 0.000 3.379 401 G HA2 0.408 4.368 3.960 -0.000 0.000 0.253 401 G HA3 0.408 4.368 3.960 -0.000 0.000 0.253 401 G C 1.022 175.891 174.900 -0.053 0.000 1.262 401 G CA 0.430 45.475 45.100 -0.093 0.000 0.959 401 G HN 1.575 nan 8.290 nan 0.000 0.524 402 G N -0.922 107.803 108.800 -0.125 0.000 2.198 402 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.260 402 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.260 402 G C 0.617 175.610 174.900 0.155 0.000 1.025 402 G CA 0.208 45.298 45.100 -0.018 0.000 0.769 402 G HN 0.946 nan 8.290 nan 0.000 0.507 403 W N -3.900 117.492 121.300 0.153 0.000 3.160 403 W HA -0.245 4.415 4.660 -0.000 0.000 0.299 403 W C 0.975 177.580 176.519 0.143 0.000 1.141 403 W CA 0.145 57.592 57.345 0.169 0.000 0.612 403 W CB -2.101 27.425 29.460 0.108 0.000 2.186 403 W HN 0.528 nan 8.180 nan 0.000 1.364 404 V N 1.788 121.883 119.914 0.302 0.000 2.585 404 V HA -0.033 4.087 4.120 -0.000 0.000 0.296 404 V C 1.562 177.821 176.094 0.275 0.000 1.035 404 V CA 1.180 63.616 62.300 0.227 0.000 1.084 404 V CB 0.905 32.822 31.823 0.157 0.000 0.953 404 V HN 0.369 nan 8.190 nan 0.000 0.483 405 E N 1.309 121.608 120.200 0.165 0.000 3.496 405 E HA -0.236 4.114 4.350 -0.000 0.000 0.300 405 E C 0.475 176.943 176.600 -0.220 0.000 0.877 405 E CA 0.603 57.060 56.400 0.095 0.000 1.050 405 E CB -0.895 28.936 29.700 0.218 0.000 1.532 405 E HN 0.850 nan 8.360 nan 0.000 0.447 406 N N 1.387 119.954 118.700 -0.222 0.000 2.374 406 N HA -0.032 4.708 4.740 -0.000 0.000 0.269 406 N C -1.636 173.556 175.510 -0.531 0.000 1.310 406 N CA -0.977 51.751 53.050 -0.537 0.000 0.877 406 N CB 0.813 39.308 38.487 0.012 0.000 1.096 406 N HN -0.135 nan 8.380 nan 0.000 0.484 407 P HA -0.123 nan 4.420 nan 0.000 0.218 407 P C 0.844 177.912 177.300 -0.387 0.000 1.146 407 P CA 1.207 63.805 63.100 -0.836 0.000 0.813 407 P CB 0.193 31.034 31.700 -1.432 0.000 0.778 408 S N -1.132 114.363 115.700 -0.341 0.000 2.442 408 S HA -0.158 4.312 4.470 -0.000 0.000 0.236 408 S C 1.324 175.809 174.600 -0.191 0.000 1.007 408 S CA 1.486 59.531 58.200 -0.258 0.000 0.965 408 S CB -0.578 62.450 63.200 -0.287 0.000 0.773 408 S HN 0.218 nan 8.310 nan 0.000 0.504 409 D N 0.373 120.683 120.400 -0.149 0.000 2.599 409 D HA 0.213 4.853 4.640 -0.000 0.000 0.249 409 D C -0.965 175.316 176.300 -0.032 0.000 1.313 409 D CA -0.006 53.941 54.000 -0.088 0.000 0.815 409 D CB 0.612 41.367 40.800 -0.074 0.000 1.077 409 D HN -0.022 nan 8.370 nan 0.000 0.492 410 V N 1.984 121.902 119.914 0.007 0.000 2.384 410 V HA 0.292 4.412 4.120 -0.000 0.000 0.287 410 V C -1.430 174.720 176.094 0.094 0.000 1.020 410 V CA -1.467 60.883 62.300 0.084 0.000 0.850 410 V CB 1.925 33.870 31.823 0.204 0.000 0.987 410 V HN -0.035 nan 8.190 nan 0.000 0.436 411 P HA -0.147 nan 4.420 nan 0.000 0.218 411 P C 1.508 178.796 177.300 -0.021 0.000 1.148 411 P CA 1.462 64.562 63.100 -0.000 0.000 0.822 411 P CB 0.267 31.956 31.700 -0.019 0.000 0.784 412 A N -1.720 121.061 122.820 -0.066 0.000 2.024 412 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 412 A C 1.600 179.032 177.584 -0.252 0.000 1.164 412 A CA 1.248 53.160 52.037 -0.208 0.000 0.643 412 A CB -1.692 17.099 19.000 -0.348 0.000 0.806 412 A HN 0.303 nan 8.150 nan 0.000 0.451 413 W N -1.190 120.053 121.300 -0.095 0.000 3.278 413 W HA 0.297 4.957 4.660 -0.000 0.000 0.308 413 W C 2.088 178.546 176.519 -0.101 0.000 1.253 413 W CA -0.026 57.262 57.345 -0.096 0.000 1.759 413 W CB 0.168 29.564 29.460 -0.107 0.000 1.093 413 W HN 0.268 nan 8.180 nan 0.000 0.648 414 R N 0.991 121.543 120.500 0.086 0.000 2.073 414 R HA -0.168 4.172 4.340 -0.000 0.000 0.234 414 R C 1.467 177.750 176.300 -0.028 0.000 1.134 414 R CA 2.265 58.370 56.100 0.008 0.000 0.952 414 R CB -0.352 29.934 30.300 -0.023 0.000 0.850 414 R HN 0.004 nan 8.270 nan 0.000 0.433 415 D N 0.297 120.674 120.400 -0.037 0.000 2.123 415 D HA -0.162 4.478 4.640 -0.000 0.000 0.196 415 D C 1.724 177.985 176.300 -0.066 0.000 0.992 415 D CA 1.637 55.598 54.000 -0.065 0.000 0.833 415 D CB -0.316 40.443 40.800 -0.067 0.000 0.954 415 D HN 0.417 nan 8.370 nan 0.000 0.455 416 A N 0.213 123.027 122.820 -0.011 0.000 1.902 416 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 416 A C 2.176 179.751 177.584 -0.015 0.000 1.181 416 A CA 1.023 53.073 52.037 0.022 0.000 0.623 416 A CB -0.650 18.445 19.000 0.158 0.000 0.818 416 A HN 0.159 nan 8.150 nan 0.000 0.443 417 L N -0.597 120.617 121.223 -0.015 0.000 2.056 417 L HA -0.096 4.244 4.340 -0.000 0.000 0.207 417 L C 2.559 179.331 176.870 -0.162 0.000 1.078 417 L CA 1.318 56.110 54.840 -0.081 0.000 0.749 417 L CB -0.544 41.459 42.059 -0.094 0.000 0.901 417 L HN 0.203 nan 8.230 nan 0.000 0.433 418 V N -0.453 119.350 119.914 -0.185 0.000 2.427 418 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 418 V C 2.206 178.043 176.094 -0.429 0.000 1.051 418 V CA 1.892 64.015 62.300 -0.295 0.000 1.048 418 V CB -0.622 31.051 31.823 -0.250 0.000 0.666 418 V HN 0.519 nan 8.190 nan 0.000 0.456 419 D N -0.065 120.146 120.400 -0.315 0.000 2.117 419 D HA -0.207 4.433 4.640 -0.000 0.000 0.197 419 D C 2.339 178.460 176.300 -0.299 0.000 0.987 419 D CA 1.359 55.170 54.000 -0.315 0.000 0.829 419 D CB -0.067 40.616 40.800 -0.195 0.000 0.961 419 D HN 0.322 nan 8.370 nan 0.000 0.460 420 R N -0.825 119.545 120.500 -0.218 0.000 2.091 420 R HA -0.136 4.204 4.340 -0.000 0.000 0.238 420 R C 2.210 178.362 176.300 -0.246 0.000 1.136 420 R CA 1.496 57.491 56.100 -0.176 0.000 0.959 420 R CB -0.330 29.911 30.300 -0.099 0.000 0.856 420 R HN 0.299 nan 8.270 nan 0.000 0.437 421 M N 1.017 120.426 119.600 -0.320 0.000 2.132 421 M HA -0.142 4.338 4.480 -0.000 0.000 0.263 421 M C 2.002 177.972 176.300 -0.549 0.000 1.065 421 M CA 1.677 56.763 55.300 -0.356 0.000 1.122 421 M CB -0.160 32.260 32.600 -0.301 0.000 1.365 421 M HN 0.069 nan 8.290 nan 0.000 0.411 422 E N -0.451 119.228 120.200 -0.869 0.000 2.085 422 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 422 E C 2.070 178.373 176.600 -0.494 0.000 0.994 422 E CA 1.492 57.232 56.400 -1.101 0.000 0.801 422 E CB -0.037 28.972 29.700 -1.151 0.000 0.743 422 E HN 0.509 nan 8.360 nan 0.000 0.453 423 R N -0.305 119.975 120.500 -0.366 0.000 2.115 423 R HA -0.049 4.291 4.340 -0.000 0.000 0.230 423 R C 2.464 178.644 176.300 -0.201 0.000 1.111 423 R CA 1.721 57.682 56.100 -0.232 0.000 0.976 423 R CB -0.246 29.946 30.300 -0.180 0.000 0.870 423 R HN 0.179 nan 8.270 nan 0.000 0.445 424 T N 0.357 114.774 114.554 -0.229 0.000 2.674 424 T HA -0.113 4.237 4.350 -0.000 0.000 0.265 424 T C 1.936 176.434 174.700 -0.338 0.000 1.039 424 T CA 1.473 63.452 62.100 -0.202 0.000 1.150 424 T CB -0.178 68.584 68.868 -0.177 0.000 0.864 424 T HN -0.012 nan 8.240 nan 0.000 0.427 425 V N 1.604 121.182 119.914 -0.559 0.000 2.358 425 V HA -0.097 4.023 4.120 -0.000 0.000 0.246 425 V C 2.688 178.547 176.094 -0.393 0.000 1.047 425 V CA 1.441 63.198 62.300 -0.905 0.000 1.035 425 V CB -0.485 30.911 31.823 -0.711 0.000 0.658 425 V HN 0.416 nan 8.190 nan 0.000 0.452 426 E N 0.102 120.169 120.200 -0.223 0.000 2.072 426 E HA -0.211 4.139 4.350 -0.000 0.000 0.191 426 E C 2.309 178.847 176.600 -0.103 0.000 0.985 426 E CA 0.959 57.269 56.400 -0.151 0.000 0.801 426 E CB -0.330 29.318 29.700 -0.087 0.000 0.750 426 E HN 0.485 nan 8.360 nan 0.000 0.452 427 R N 0.704 121.164 120.500 -0.067 0.000 2.091 427 R HA -0.150 4.190 4.340 -0.000 0.000 0.238 427 R C 0.700 177.058 176.300 0.096 0.000 1.136 427 R CA 1.669 57.776 56.100 0.012 0.000 0.959 427 R CB 0.169 30.460 30.300 -0.015 0.000 0.856 427 R HN 0.008 nan 8.270 nan 0.000 0.437 428 D N -0.714 119.776 120.400 0.149 0.000 2.433 428 D HA -0.012 4.627 4.640 -0.000 0.000 0.211 428 D C 1.089 177.610 176.300 0.368 0.000 1.114 428 D CA 0.182 54.394 54.000 0.353 0.000 0.837 428 D CB 0.452 41.490 40.800 0.396 0.000 0.984 428 D HN 0.393 nan 8.370 nan 0.000 0.505 429 K N 0.534 121.037 120.400 0.172 0.000 2.286 429 K HA -0.099 4.221 4.320 -0.000 0.000 0.203 429 K C 1.215 177.801 176.600 -0.023 0.000 1.045 429 K CA 0.928 57.216 56.287 0.001 0.000 0.935 429 K CB -0.052 32.010 32.500 -0.731 0.000 0.737 429 K HN -0.071 nan 8.250 nan 0.000 0.460 430 N N 0.663 119.331 118.700 -0.054 0.000 2.494 430 N HA -0.043 4.697 4.740 -0.000 0.000 0.182 430 N C -0.288 175.162 175.510 -0.101 0.000 1.076 430 N CA 0.408 53.459 53.050 0.000 0.000 0.908 430 N CB 0.032 38.471 38.487 -0.080 0.000 0.967 430 N HN 0.347 nan 8.380 nan 0.000 0.449 431 H N 1.149 120.248 119.070 0.049 0.000 2.668 431 H HA 0.101 4.657 4.556 -0.000 0.000 0.303 431 H C -1.221 174.006 175.328 -0.167 0.000 1.074 431 H CA -1.323 54.695 56.048 -0.050 0.000 1.406 431 H CB 1.549 31.291 29.762 -0.033 0.000 1.442 431 H HN 0.084 nan 8.280 nan 0.000 0.482 432 P HA -0.145 nan 4.420 nan 0.000 0.221 432 P C 1.438 178.345 177.300 -0.655 0.000 1.150 432 P CA 1.030 63.834 63.100 -0.493 0.000 0.800 432 P CB 0.279 31.448 31.700 -0.884 0.000 0.787 433 S N -0.032 115.265 115.700 -0.672 0.000 2.419 433 S HA -0.096 4.374 4.470 -0.000 0.000 0.233 433 S C 1.189 175.813 174.600 0.040 0.000 1.016 433 S CA 0.453 58.465 58.200 -0.314 0.000 0.974 433 S CB -1.412 61.781 63.200 -0.012 0.000 0.786 433 S HN 0.092 nan 8.310 nan 0.000 0.492 434 I N 2.961 123.500 120.570 -0.052 0.000 2.436 434 I HA 0.111 4.281 4.170 -0.000 0.000 0.289 434 I C 0.994 177.062 176.117 -0.081 0.000 1.083 434 I CA -0.382 60.852 61.300 -0.111 0.000 1.372 434 I CB 1.373 39.179 38.000 -0.323 0.000 1.408 434 I HN 0.199 nan 8.210 nan 0.000 0.516 435 V N 3.414 123.347 119.914 0.033 0.000 3.502 435 V HA 0.427 4.547 4.120 -0.000 0.000 0.288 435 V C 0.386 176.555 176.094 0.125 0.000 1.461 435 V CA -0.049 62.348 62.300 0.162 0.000 1.029 435 V CB 0.048 32.122 31.823 0.418 0.000 0.843 435 V HN 0.665 nan 8.190 nan 0.000 0.438 436 M N -0.190 119.362 119.600 -0.080 0.000 2.421 436 M HA 0.473 4.953 4.480 -0.000 0.000 0.287 436 M C -1.994 174.191 176.300 -0.192 0.000 1.183 436 M CA -0.211 55.046 55.300 -0.070 0.000 0.916 436 M CB 3.059 35.638 32.600 -0.034 0.000 1.701 436 M HN 0.215 nan 8.290 nan 0.000 0.470 437 W N 0.768 122.132 121.300 0.107 0.000 2.438 437 W HA 0.609 5.269 4.660 -0.000 0.000 0.324 437 W C 0.261 176.834 176.519 0.090 0.000 1.119 437 W CA -0.505 56.886 57.345 0.077 0.000 1.221 437 W CB 1.524 31.036 29.460 0.087 0.000 1.253 437 W HN 0.466 nan 8.180 nan 0.000 0.555 438 S N 2.637 118.542 115.700 0.342 0.000 2.500 438 S HA 0.382 4.852 4.470 -0.000 0.000 0.301 438 S C 0.483 175.221 174.600 0.230 0.000 1.092 438 S CA -0.711 57.675 58.200 0.309 0.000 1.030 438 S CB 0.885 64.236 63.200 0.252 0.000 1.031 438 S HN 0.578 nan 8.310 nan 0.000 0.483 439 L N 3.765 125.101 121.223 0.188 0.000 2.376 439 L HA 0.306 4.646 4.340 -0.000 0.000 0.219 439 L C 1.476 178.325 176.870 -0.034 0.000 1.133 439 L CA 0.698 55.534 54.840 -0.006 0.000 0.816 439 L CB -0.917 41.016 42.059 -0.210 0.000 0.933 439 L HN 0.942 nan 8.230 nan 0.000 0.449 440 G N -0.349 108.520 108.800 0.114 0.000 2.291 440 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.249 440 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.249 440 G C -1.852 173.173 174.900 0.208 0.000 1.340 440 G CA -0.566 44.600 45.100 0.110 0.000 1.017 440 G HN 0.103 nan 8.290 nan 0.000 0.470 441 N N 0.253 119.008 118.700 0.092 0.000 2.336 441 N HA 0.479 5.219 4.740 -0.000 0.000 0.290 441 N C -0.371 175.080 175.510 -0.099 0.000 1.058 441 N CA 0.010 53.002 53.050 -0.096 0.000 0.865 441 N CB 1.612 39.713 38.487 -0.643 0.000 1.581 441 N HN 0.813 nan 8.380 nan 0.000 0.480 442 E N 0.948 121.046 120.200 -0.170 0.000 2.183 442 E HA -0.178 4.172 4.350 -0.000 0.000 0.196 442 E C -0.774 175.852 176.600 0.043 0.000 1.364 442 E CA 0.694 56.957 56.400 -0.229 0.000 0.700 442 E CB -1.342 27.961 29.700 -0.662 0.000 1.106 442 E HN 0.443 nan 8.360 nan 0.000 0.347 443 S N -0.057 115.706 115.700 0.104 0.000 2.741 443 S HA 0.398 4.868 4.470 -0.000 0.000 0.247 443 S C 0.783 175.153 174.600 -0.383 0.000 1.050 443 S CA -0.071 58.157 58.200 0.047 0.000 1.025 443 S CB 1.281 64.475 63.200 -0.009 0.000 0.897 443 S HN 0.825 nan 8.310 nan 0.000 0.508 444 G N 1.753 110.076 108.800 -0.794 0.000 2.564 444 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.273 444 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.273 444 G C -0.055 174.531 174.900 -0.523 0.000 1.242 444 G CA 0.317 44.614 45.100 -1.338 0.000 0.951 444 G HN 0.584 nan 8.290 nan 0.000 0.564 445 T N -1.145 113.119 114.554 -0.483 0.000 2.883 445 T HA 0.854 5.204 4.350 -0.000 0.000 0.296 445 T C 0.107 174.703 174.700 -0.173 0.000 1.117 445 T CA 0.981 62.993 62.100 -0.148 0.000 1.006 445 T CB 1.415 70.273 68.868 -0.016 0.000 1.191 445 T HN 2.583 nan 8.240 nan 0.000 0.508 446 G N 0.244 108.972 108.800 -0.120 0.000 2.338 446 G HA2 0.367 4.327 3.960 -0.000 0.000 0.295 446 G HA3 0.367 4.327 3.960 -0.000 0.000 0.295 446 G C 0.534 175.318 174.900 -0.194 0.000 1.461 446 G CA 0.457 45.469 45.100 -0.146 0.000 0.817 446 G HN 0.712 nan 8.290 nan 0.000 0.556 447 S N -0.564 115.050 115.700 -0.144 0.000 2.400 447 S HA -0.135 4.335 4.470 -0.000 0.000 0.232 447 S C 2.052 176.530 174.600 -0.204 0.000 1.025 447 S CA 2.195 60.305 58.200 -0.150 0.000 0.993 447 S CB -0.297 62.852 63.200 -0.084 0.000 0.808 447 S HN 0.508 nan 8.310 nan 0.000 0.478 448 N N 1.294 119.875 118.700 -0.198 0.000 2.216 448 N HA 0.072 4.812 4.740 -0.000 0.000 0.183 448 N C 1.687 177.022 175.510 -0.291 0.000 1.017 448 N CA 0.834 53.767 53.050 -0.195 0.000 0.861 448 N CB -0.546 37.855 38.487 -0.144 0.000 0.986 448 N HN 0.389 nan 8.380 nan 0.000 0.428 449 L N 0.672 121.651 121.223 -0.407 0.000 2.056 449 L HA -0.062 4.278 4.340 -0.000 0.000 0.207 449 L C 2.356 178.754 176.870 -0.787 0.000 1.078 449 L CA 1.083 55.574 54.840 -0.582 0.000 0.749 449 L CB -0.449 41.221 42.059 -0.648 0.000 0.901 449 L HN 0.102 nan 8.230 nan 0.000 0.433 450 A N -0.131 122.110 122.820 -0.965 0.000 1.933 450 A HA -0.183 4.136 4.320 -0.000 0.000 0.218 450 A C 2.484 179.864 177.584 -0.340 0.000 1.175 450 A CA 1.724 53.268 52.037 -0.822 0.000 0.628 450 A CB -0.662 18.022 19.000 -0.527 0.000 0.814 450 A HN 0.420 nan 8.150 nan 0.000 0.444 451 A N -0.496 122.171 122.820 -0.255 0.000 1.930 451 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 451 A C 2.213 179.745 177.584 -0.086 0.000 1.175 451 A CA 1.695 53.658 52.037 -0.123 0.000 0.627 451 A CB -0.536 18.404 19.000 -0.100 0.000 0.815 451 A HN 0.535 nan 8.150 nan 0.000 0.443 452 M N -0.289 119.215 119.600 -0.160 0.000 2.108 452 M HA -0.173 4.307 4.480 -0.000 0.000 0.261 452 M C 2.503 178.769 176.300 -0.056 0.000 1.066 452 M CA 1.622 56.852 55.300 -0.116 0.000 1.107 452 M CB -0.456 32.030 32.600 -0.189 0.000 1.356 452 M HN 0.456 nan 8.290 nan 0.000 0.406 453 A N 0.357 123.094 122.820 -0.137 0.000 1.902 453 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 453 A C 2.404 179.869 177.584 -0.197 0.000 1.181 453 A CA 1.859 53.795 52.037 -0.168 0.000 0.623 453 A CB -0.984 17.978 19.000 -0.063 0.000 0.818 453 A HN 0.494 nan 8.150 nan 0.000 0.443 454 A N -1.626 121.169 122.820 -0.041 0.000 1.933 454 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 454 A C 1.994 179.619 177.584 0.068 0.000 1.175 454 A CA 1.539 53.611 52.037 0.059 0.000 0.628 454 A CB -0.874 18.162 19.000 0.059 0.000 0.814 454 A HN 0.842 nan 8.150 nan 0.000 0.444 455 W N 0.501 121.752 121.300 -0.082 0.000 2.355 455 W HA -0.095 4.565 4.660 -0.000 0.000 0.309 455 W C 2.500 178.975 176.519 -0.074 0.000 1.206 455 W CA 2.262 59.561 57.345 -0.075 0.000 1.284 455 W CB -0.193 29.201 29.460 -0.110 0.000 1.145 455 W HN 0.346 nan 8.180 nan 0.000 0.502 456 A N -0.589 122.300 122.820 0.116 0.000 1.908 456 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 456 A C 1.813 179.363 177.584 -0.058 0.000 1.181 456 A CA 2.034 54.046 52.037 -0.041 0.000 0.627 456 A CB -1.308 17.692 19.000 -0.001 0.000 0.818 456 A HN 0.479 nan 8.150 nan 0.000 0.445 457 H N -0.379 118.686 119.070 -0.009 0.000 2.353 457 H HA 0.025 4.581 4.556 -0.000 0.000 0.300 457 H C 2.506 177.787 175.328 -0.079 0.000 1.090 457 H CA 1.245 57.296 56.048 0.005 0.000 1.327 457 H CB -0.630 29.151 29.762 0.031 0.000 1.383 457 H HN 0.513 nan 8.280 nan 0.000 0.508 458 A N 0.616 123.399 122.820 -0.062 0.000 1.929 458 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 458 A C 2.492 179.916 177.584 -0.266 0.000 1.176 458 A CA 1.642 53.577 52.037 -0.169 0.000 0.628 458 A CB -0.177 18.681 19.000 -0.237 0.000 0.816 458 A HN 0.245 nan 8.150 nan 0.000 0.444 459 R N -0.096 120.101 120.500 -0.505 0.000 2.062 459 R HA -0.007 4.333 4.340 -0.000 0.000 0.226 459 R C -0.562 175.708 176.300 -0.050 0.000 1.125 459 R CA 1.558 57.358 56.100 -0.501 0.000 0.966 459 R CB 0.008 29.619 30.300 -1.147 0.000 0.861 459 R HN 0.358 nan 8.270 nan 0.000 0.433 460 D N -0.797 119.633 120.400 0.049 0.000 2.358 460 D HA 0.107 4.747 4.640 -0.000 0.000 0.253 460 D C -0.374 176.116 176.300 0.316 0.000 1.288 460 D CA -0.088 54.131 54.000 0.365 0.000 0.950 460 D CB 1.350 42.422 40.800 0.455 0.000 1.197 460 D HN 0.169 nan 8.370 nan 0.000 0.550 461 S N 1.025 116.864 115.700 0.231 0.000 2.607 461 S HA -0.084 4.386 4.470 -0.000 0.000 0.224 461 S C 1.639 176.335 174.600 0.160 0.000 0.969 461 S CA 0.521 58.817 58.200 0.160 0.000 0.927 461 S CB -0.178 63.064 63.200 0.070 0.000 0.772 461 S HN 0.324 nan 8.310 nan 0.000 0.533 462 S N 0.906 116.739 115.700 0.222 0.000 2.527 462 S HA 0.220 4.690 4.470 -0.000 0.000 0.222 462 S C 0.589 175.276 174.600 0.145 0.000 0.985 462 S CA -0.541 57.762 58.200 0.171 0.000 0.921 462 S CB -0.127 63.199 63.200 0.210 0.000 0.772 462 S HN 0.510 nan 8.310 nan 0.000 0.529 463 R N 1.447 122.060 120.500 0.188 0.000 2.538 463 R HA 0.523 4.863 4.340 -0.000 0.000 0.292 463 R C -3.204 173.221 176.300 0.209 0.000 1.008 463 R CA -2.087 54.078 56.100 0.110 0.000 0.896 463 R CB 1.683 31.912 30.300 -0.118 0.000 1.187 463 R HN 0.175 nan 8.270 nan 0.000 0.440 464 P HA 0.057 nan 4.420 nan 0.000 0.272 464 P C -0.658 176.830 177.300 0.314 0.000 1.240 464 P CA -0.425 62.836 63.100 0.267 0.000 0.791 464 P CB 0.655 32.511 31.700 0.260 0.000 0.978 465 V N 2.522 122.637 119.914 0.334 0.000 2.398 465 V HA 0.230 4.350 4.120 -0.000 0.000 0.286 465 V C 0.147 176.397 176.094 0.260 0.000 1.026 465 V CA -0.330 62.140 62.300 0.284 0.000 0.868 465 V CB 0.689 32.596 31.823 0.139 0.000 0.982 465 V HN 0.614 nan 8.190 nan 0.000 0.443 466 H N 5.183 124.341 119.070 0.147 0.000 2.466 466 H HA 0.524 5.080 4.556 -0.000 0.000 0.338 466 H C -2.153 173.269 175.328 0.157 0.000 1.091 466 H CA -0.590 55.506 56.048 0.079 0.000 1.207 466 H CB 1.692 31.440 29.762 -0.023 0.000 1.466 466 H HN 0.655 nan 8.280 nan 0.000 0.493 467 Y N 5.177 125.139 120.300 -0.563 0.000 2.275 467 Y HA 0.074 4.624 4.550 -0.000 0.000 0.319 467 Y C 0.357 175.962 175.900 -0.491 0.000 1.204 467 Y CA -0.784 57.062 58.100 -0.422 0.000 1.136 467 Y CB 0.930 39.331 38.460 -0.098 0.000 1.228 467 Y HN 0.724 nan 8.280 nan 0.000 0.413 468 E N 3.157 122.712 120.200 -1.076 0.000 2.274 468 E HA -0.030 4.320 4.350 -0.000 0.000 0.194 468 E C 1.442 177.427 176.600 -1.025 0.000 0.996 468 E CA 1.234 57.147 56.400 -0.811 0.000 0.840 468 E CB 0.125 29.528 29.700 -0.495 0.000 0.772 468 E HN 1.004 nan 8.360 nan 0.000 0.491 469 G N 0.667 108.396 108.800 -1.786 0.000 2.679 469 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.212 469 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.212 469 G C 0.698 174.995 174.900 -1.004 0.000 1.137 469 G CA 0.208 44.454 45.100 -1.424 0.000 0.787 469 G HN 0.147 nan 8.290 nan 0.000 0.534 470 D N -0.158 119.803 120.400 -0.732 0.000 2.688 470 D HA 0.121 4.761 4.640 -0.000 0.000 0.228 470 D C 0.966 177.081 176.300 -0.309 0.000 1.116 470 D CA -0.639 53.097 54.000 -0.440 0.000 1.023 470 D CB -0.494 39.944 40.800 -0.604 0.000 1.100 470 D HN 0.438 nan 8.370 nan 0.000 0.487 471 Y N -0.028 120.200 120.300 -0.120 0.000 2.274 471 Y HA -0.205 4.345 4.550 0.000 0.000 0.290 471 Y C 2.649 178.510 175.900 -0.063 0.000 1.145 471 Y CA 1.276 59.359 58.100 -0.028 0.000 1.203 471 Y CB -0.006 38.452 38.460 -0.004 0.000 0.984 471 Y HN 0.322 nan 8.280 nan 0.000 0.533 472 T N -3.320 111.259 114.554 0.041 0.000 3.129 472 T HA 0.263 4.613 4.350 -0.000 0.000 0.251 472 T C 1.510 176.147 174.700 -0.105 0.000 1.117 472 T CA 0.380 62.463 62.100 -0.028 0.000 1.034 472 T CB -0.177 68.689 68.868 -0.002 0.000 0.968 472 T HN 0.483 nan 8.240 nan 0.000 0.526 473 G N 0.965 109.669 108.800 -0.161 0.000 2.272 473 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.280 473 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.280 473 G C 0.890 175.692 174.900 -0.163 0.000 1.067 473 G CA 0.038 45.028 45.100 -0.182 0.000 0.902 473 G HN 1.037 nan 8.290 nan 0.000 0.500 474 A N -0.658 122.029 122.820 -0.221 0.000 2.066 474 A HA 0.395 4.715 4.320 -0.000 0.000 0.218 474 A C 1.438 179.057 177.584 0.058 0.000 1.157 474 A CA 2.104 54.107 52.037 -0.056 0.000 0.670 474 A CB -0.217 18.825 19.000 0.070 0.000 0.804 474 A HN 1.867 nan 8.150 nan 0.000 0.453 475 Y N -2.668 117.665 120.300 0.054 0.000 2.957 475 Y HA 0.323 4.872 4.550 -0.000 0.000 0.274 475 Y C 0.151 176.122 175.900 0.118 0.000 1.065 475 Y CA -0.457 57.691 58.100 0.081 0.000 1.273 475 Y CB -0.845 37.638 38.460 0.039 0.000 1.358 475 Y HN 0.080 nan 8.280 nan 0.000 0.585 476 T N -2.682 111.871 114.554 -0.002 0.000 2.932 476 T HA 0.375 4.725 4.350 -0.000 0.000 0.289 476 T C -0.036 174.738 174.700 0.123 0.000 1.039 476 T CA -0.482 61.667 62.100 0.081 0.000 1.024 476 T CB 2.397 71.242 68.868 -0.038 0.000 1.090 476 T HN 0.102 nan 8.240 nan 0.000 0.496 477 D N 0.208 120.716 120.400 0.180 0.000 2.366 477 D HA 0.133 4.773 4.640 -0.000 0.000 0.205 477 D C 1.016 177.408 176.300 0.153 0.000 1.022 477 D CA 0.582 54.684 54.000 0.170 0.000 0.868 477 D CB 0.620 41.549 40.800 0.215 0.000 0.953 477 D HN 0.577 nan 8.370 nan 0.000 0.514 478 V N -1.539 118.465 119.914 0.149 0.000 2.864 478 V HA 0.469 4.589 4.120 -0.000 0.000 0.314 478 V C -0.913 175.271 176.094 0.150 0.000 1.073 478 V CA -1.113 61.276 62.300 0.149 0.000 0.956 478 V CB 2.134 34.035 31.823 0.129 0.000 1.023 478 V HN -0.107 nan 8.190 nan 0.000 0.435 479 Y N 2.470 122.788 120.300 0.029 0.000 2.350 479 Y HA 0.722 5.272 4.550 -0.000 0.000 0.340 479 Y C 0.233 176.081 175.900 -0.087 0.000 1.006 479 Y CA -0.502 57.619 58.100 0.035 0.000 1.166 479 Y CB 1.110 39.687 38.460 0.194 0.000 1.168 479 Y HN 0.966 nan 8.280 nan 0.000 0.502 480 S N 7.249 122.790 115.700 -0.265 0.000 2.500 480 S HA 0.781 5.251 4.470 -0.000 0.000 0.301 480 S C -0.977 173.325 174.600 -0.496 0.000 1.092 480 S CA -0.741 57.158 58.200 -0.502 0.000 1.030 480 S CB 0.626 63.563 63.200 -0.438 0.000 1.031 480 S HN 0.737 nan 8.310 nan 0.000 0.483 481 R N 2.408 122.615 120.500 -0.488 0.000 2.867 481 R HA 0.555 4.894 4.340 -0.000 0.000 0.268 481 R C -0.879 175.326 176.300 -0.159 0.000 1.014 481 R CA -0.802 55.185 56.100 -0.189 0.000 0.946 481 R CB 1.779 32.082 30.300 0.005 0.000 1.208 481 R HN 0.847 nan 8.270 nan 0.000 0.477 482 M N -0.025 119.524 119.600 -0.085 0.000 2.321 482 M HA 0.428 4.908 4.480 -0.000 0.000 0.315 482 M C -0.890 175.372 176.300 -0.064 0.000 1.052 482 M CA -0.519 54.619 55.300 -0.270 0.000 0.936 482 M CB 1.732 34.126 32.600 -0.344 0.000 1.639 482 M HN 0.620 nan 8.290 nan 0.000 0.433 483 Y N -0.341 120.080 120.300 0.203 0.000 3.825 483 Y HA -0.241 4.309 4.550 -0.000 0.000 0.221 483 Y C 0.280 176.405 175.900 0.375 0.000 1.195 483 Y CA 0.563 58.810 58.100 0.244 0.000 1.699 483 Y CB -2.493 36.088 38.460 0.202 0.000 1.531 483 Y HN 0.919 nan 8.280 nan 0.000 0.640 484 S N 0.225 116.179 115.700 0.423 0.000 2.549 484 S HA 0.412 4.882 4.470 -0.000 0.000 0.283 484 S C 0.717 175.601 174.600 0.473 0.000 1.320 484 S CA -0.435 58.014 58.200 0.414 0.000 1.058 484 S CB 1.596 64.971 63.200 0.292 0.000 0.882 484 S HN 0.616 nan 8.310 nan 0.000 0.498 485 S N 3.714 119.678 115.700 0.440 0.000 2.598 485 S HA 0.189 4.659 4.470 -0.000 0.000 0.256 485 S C 1.391 176.006 174.600 0.026 0.000 1.350 485 S CA -0.856 57.536 58.200 0.320 0.000 0.984 485 S CB -0.056 63.395 63.200 0.417 0.000 0.930 485 S HN 0.609 nan 8.310 nan 0.000 0.577 486 I N 1.454 121.871 120.570 -0.255 0.000 2.179 486 I HA -0.040 4.130 4.170 -0.000 0.000 0.242 486 I C -0.620 175.227 176.117 -0.451 0.000 1.088 486 I CA 0.858 61.844 61.300 -0.524 0.000 1.357 486 I CB -3.042 34.440 38.000 -0.863 0.000 1.051 486 I HN 0.515 nan 8.210 nan 0.000 0.409 487 P HA -0.179 nan 4.420 nan 0.000 0.215 487 P C 1.707 178.964 177.300 -0.071 0.000 1.153 487 P CA 1.449 64.238 63.100 -0.519 0.000 0.853 487 P CB 0.010 31.451 31.700 -0.432 0.000 0.788 488 E N -1.087 119.102 120.200 -0.019 0.000 2.106 488 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 488 E C 1.544 178.118 176.600 -0.042 0.000 0.984 488 E CA 1.410 57.823 56.400 0.022 0.000 0.806 488 E CB -0.317 29.426 29.700 0.071 0.000 0.750 488 E HN 0.128 nan 8.360 nan 0.000 0.458 489 T N 0.472 114.989 114.554 -0.060 0.000 2.777 489 T HA -0.186 4.164 4.350 -0.000 0.000 0.266 489 T C 1.424 176.016 174.700 -0.180 0.000 1.040 489 T CA 1.536 63.540 62.100 -0.160 0.000 1.141 489 T CB -0.411 68.459 68.868 0.003 0.000 0.868 489 T HN 0.339 nan 8.240 nan 0.000 0.444 490 D N 0.682 121.044 120.400 -0.062 0.000 2.123 490 D HA -0.116 4.524 4.640 -0.000 0.000 0.196 490 D C 2.277 178.477 176.300 -0.167 0.000 0.992 490 D CA 1.388 55.389 54.000 0.001 0.000 0.833 490 D CB -0.254 40.733 40.800 0.311 0.000 0.954 490 D HN 0.248 nan 8.370 nan 0.000 0.455 491 S N -1.081 114.586 115.700 -0.055 0.000 2.382 491 S HA -0.101 4.369 4.470 -0.000 0.000 0.228 491 S C 2.006 176.508 174.600 -0.163 0.000 1.027 491 S CA 0.870 59.030 58.200 -0.066 0.000 0.991 491 S CB -0.405 62.804 63.200 0.017 0.000 0.823 491 S HN 0.358 nan 8.310 nan 0.000 0.469 492 I N 0.887 121.330 120.570 -0.212 0.000 2.252 492 I HA -0.044 4.125 4.170 -0.000 0.000 0.245 492 I C 2.607 178.545 176.117 -0.297 0.000 1.102 492 I CA 1.198 62.357 61.300 -0.234 0.000 1.385 492 I CB -0.576 37.181 38.000 -0.405 0.000 1.064 492 I HN 0.435 nan 8.210 nan 0.000 0.414 493 G N 1.355 109.874 108.800 -0.469 0.000 2.494 493 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.216 493 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.216 493 G C 0.906 175.386 174.900 -0.700 0.000 1.140 493 G CA -0.251 44.522 45.100 -0.546 0.000 0.801 493 G HN 0.341 nan 8.290 nan 0.000 0.536 494 R N 0.071 120.073 120.500 -0.829 0.000 2.531 494 R HA 0.325 4.665 4.340 -0.000 0.000 0.273 494 R C -0.164 176.027 176.300 -0.183 0.000 1.070 494 R CA -0.535 55.284 56.100 -0.468 0.000 1.112 494 R CB 0.554 30.673 30.300 -0.303 0.000 1.049 494 R HN -0.157 nan 8.270 nan 0.000 0.508 495 N N 0.641 119.306 118.700 -0.058 0.000 2.236 495 N HA -0.036 4.704 4.740 -0.000 0.000 0.196 495 N C -0.717 174.766 175.510 -0.046 0.000 1.114 495 N CA 0.347 53.369 53.050 -0.045 0.000 0.859 495 N CB 0.378 38.870 38.487 0.008 0.000 0.982 495 N HN 0.663 nan 8.380 nan 0.000 0.493 496 D N -1.356 119.024 120.400 -0.034 0.000 2.670 496 D HA 0.117 4.757 4.640 -0.000 0.000 0.255 496 D C -0.410 175.885 176.300 -0.009 0.000 1.286 496 D CA -0.309 53.689 54.000 -0.003 0.000 0.830 496 D CB -0.075 40.743 40.800 0.029 0.000 1.065 496 D HN -0.238 nan 8.370 nan 0.000 0.486 497 S N -0.546 115.101 115.700 -0.089 0.000 2.561 497 S HA 0.369 4.839 4.470 -0.000 0.000 0.303 497 S C -0.796 173.698 174.600 -0.177 0.000 1.110 497 S CA -0.554 57.610 58.200 -0.061 0.000 1.034 497 S CB 0.830 64.000 63.200 -0.050 0.000 1.010 497 S HN 0.216 nan 8.310 nan 0.000 0.482 498 H N 2.196 121.267 119.070 0.001 0.000 2.486 498 H HA 0.496 5.052 4.556 -0.000 0.000 0.284 498 H C 0.834 176.164 175.328 0.003 0.000 1.103 498 H CA 0.228 56.276 56.048 -0.001 0.000 1.089 498 H CB 0.617 30.379 29.762 0.000 0.000 1.603 498 H HN 0.692 nan 8.280 nan 0.000 0.557 499 A N 1.055 123.922 122.820 0.077 0.000 2.483 499 A HA 0.160 4.480 4.320 -0.000 0.000 0.238 499 A C 0.242 177.852 177.584 0.044 0.000 1.070 499 A CA -0.309 51.765 52.037 0.061 0.000 0.770 499 A CB 0.108 19.142 19.000 0.057 0.000 1.008 499 A HN 0.412 nan 8.150 nan 0.000 0.497 500 L N 1.942 123.189 121.223 0.039 0.000 2.426 500 L HA 0.199 4.539 4.340 -0.000 0.000 0.271 500 L C 0.102 176.985 176.870 0.022 0.000 1.169 500 L CA 0.058 54.913 54.840 0.025 0.000 0.836 500 L CB 0.096 42.166 42.059 0.018 0.000 1.112 500 L HN 0.585 nan 8.230 nan 0.000 0.465 501 L N 2.587 123.821 121.223 0.018 0.000 2.365 501 L HA 0.375 4.715 4.340 -0.000 0.000 0.267 501 L C -0.045 176.830 176.870 0.008 0.000 1.033 501 L CA -1.135 53.730 54.840 0.042 0.000 0.802 501 L CB 1.455 43.568 42.059 0.089 0.000 1.267 501 L HN 0.366 nan 8.230 nan 0.000 0.457 502 L N 1.921 123.139 121.223 -0.009 0.000 2.601 502 L HA 0.200 4.540 4.340 -0.000 0.000 0.277 502 L C 1.014 177.756 176.870 -0.214 0.000 1.219 502 L CA 1.430 56.180 54.840 -0.149 0.000 0.915 502 L CB 0.057 41.967 42.059 -0.248 0.000 1.160 502 L HN 0.798 nan 8.230 nan 0.000 0.494 503 G N 2.614 111.302 108.800 -0.185 0.000 2.155 503 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.257 503 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.257 503 G C 0.273 175.180 174.900 0.012 0.000 0.983 503 G CA 0.147 45.192 45.100 -0.092 0.000 0.676 503 G HN 0.847 nan 8.290 nan 0.000 0.528 504 C N 1.198 120.496 119.300 -0.003 0.000 2.507 504 C HA 0.706 5.166 4.460 -0.000 0.000 0.319 504 C C 0.542 175.535 174.990 0.004 0.000 1.208 504 C CA -0.488 58.534 59.018 0.006 0.000 1.619 504 C CB 1.591 29.325 27.740 -0.011 0.000 2.230 504 C HN 0.661 nan 8.230 nan 0.000 0.492 505 D N 0.914 121.319 120.400 0.008 0.000 2.447 505 D HA 0.098 4.738 4.640 -0.000 0.000 0.265 505 D C 1.191 177.498 176.300 0.011 0.000 1.250 505 D CA 0.113 54.119 54.000 0.010 0.000 1.046 505 D CB 0.356 41.163 40.800 0.012 0.000 1.095 505 D HN 0.523 nan 8.370 nan 0.000 0.555 506 S N -0.723 114.988 115.700 0.019 0.000 2.383 506 S HA -0.082 4.388 4.470 -0.000 0.000 0.227 506 S C 2.064 176.686 174.600 0.036 0.000 1.026 506 S CA 1.048 59.269 58.200 0.035 0.000 0.981 506 S CB -0.856 62.367 63.200 0.039 0.000 0.818 506 S HN 0.665 nan 8.310 nan 0.000 0.472 507 A N 1.938 124.771 122.820 0.021 0.000 1.898 507 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 507 A C 2.115 179.696 177.584 -0.005 0.000 1.181 507 A CA 1.354 53.400 52.037 0.015 0.000 0.620 507 A CB -0.643 18.364 19.000 0.011 0.000 0.819 507 A HN 0.639 nan 8.150 nan 0.000 0.442 508 E N -0.042 120.149 120.200 -0.015 0.000 2.150 508 E HA -0.088 4.262 4.350 -0.000 0.000 0.193 508 E C 2.231 178.782 176.600 -0.082 0.000 0.985 508 E CA 1.213 57.587 56.400 -0.042 0.000 0.814 508 E CB -0.104 29.578 29.700 -0.029 0.000 0.752 508 E HN 0.555 nan 8.360 nan 0.000 0.466 509 S N 0.752 116.418 115.700 -0.057 0.000 2.368 509 S HA -0.143 4.327 4.470 -0.000 0.000 0.224 509 S C 2.147 176.691 174.600 -0.094 0.000 1.029 509 S CA 0.901 59.053 58.200 -0.082 0.000 0.988 509 S CB -0.202 62.981 63.200 -0.028 0.000 0.838 509 S HN 0.393 nan 8.310 nan 0.000 0.462 510 A N 2.783 125.579 122.820 -0.040 0.000 1.908 510 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 510 A C 2.140 179.688 177.584 -0.059 0.000 1.181 510 A CA 1.797 53.812 52.037 -0.036 0.000 0.627 510 A CB -0.630 18.393 19.000 0.037 0.000 0.818 510 A HN 0.662 nan 8.150 nan 0.000 0.445 511 R N -1.357 119.105 120.500 -0.064 0.000 2.115 511 R HA -0.075 4.265 4.340 -0.000 0.000 0.226 511 R C 1.782 178.013 176.300 -0.115 0.000 1.100 511 R CA 1.306 57.367 56.100 -0.067 0.000 0.980 511 R CB -0.423 29.848 30.300 -0.049 0.000 0.875 511 R HN 0.403 nan 8.270 nan 0.000 0.445 512 Q N 1.207 120.872 119.800 -0.225 0.000 2.119 512 Q HA -0.048 4.292 4.340 -0.000 0.000 0.201 512 Q C 1.895 177.772 176.000 -0.205 0.000 0.972 512 Q CA 1.323 56.880 55.803 -0.410 0.000 0.847 512 Q CB -0.154 27.983 28.738 -1.002 0.000 0.903 512 Q HN 0.477 nan 8.270 nan 0.000 0.433 513 R N 0.570 120.992 120.500 -0.130 0.000 2.339 513 R HA -0.037 4.303 4.340 -0.000 0.000 0.199 513 R C 1.845 178.151 176.300 0.009 0.000 1.018 513 R CA 1.211 57.292 56.100 -0.032 0.000 1.036 513 R CB -0.117 30.137 30.300 -0.076 0.000 0.899 513 R HN 0.308 nan 8.270 nan 0.000 0.473 514 T N -2.590 111.966 114.554 0.005 0.000 3.081 514 T HA 0.131 4.481 4.350 -0.000 0.000 0.250 514 T C 0.549 175.291 174.700 0.070 0.000 1.100 514 T CA 0.012 62.130 62.100 0.031 0.000 1.038 514 T CB 0.265 69.142 68.868 0.015 0.000 0.962 514 T HN -0.005 nan 8.240 nan 0.000 0.516 515 K N 1.613 122.074 120.400 0.101 0.000 2.238 515 K HA 0.553 4.873 4.320 -0.000 0.000 0.239 515 K C -3.079 173.652 176.600 0.219 0.000 0.987 515 K CA -2.785 53.588 56.287 0.143 0.000 0.857 515 K CB 1.169 33.754 32.500 0.142 0.000 1.154 515 K HN -0.068 nan 8.250 nan 0.000 0.439 516 P HA -0.023 nan 4.420 nan 0.000 0.268 516 P C -1.163 176.303 177.300 0.276 0.000 1.205 516 P CA 0.047 63.262 63.100 0.191 0.000 0.771 516 P CB 0.277 31.936 31.700 -0.068 0.000 0.858 517 F N 4.886 124.973 119.950 0.227 0.000 2.443 517 F HA 0.652 5.179 4.527 -0.000 0.000 0.335 517 F C -0.334 175.531 175.800 0.109 0.000 1.104 517 F CA -0.909 57.182 58.000 0.152 0.000 1.013 517 F CB 0.705 39.794 39.000 0.149 0.000 1.136 517 F HN 0.199 nan 8.300 nan 0.000 0.470 518 I N 3.852 123.870 120.570 -0.919 0.000 2.769 518 I HA 0.487 4.657 4.170 -0.000 0.000 0.298 518 I C -1.807 173.616 176.117 -1.158 0.000 1.128 518 I CA -1.119 59.722 61.300 -0.766 0.000 1.031 518 I CB 2.261 40.025 38.000 -0.394 0.000 1.235 518 I HN 0.468 nan 8.210 nan 0.000 0.423 519 L N 4.554 125.378 121.223 -0.665 0.000 2.268 519 L HA 0.239 4.579 4.340 -0.000 0.000 0.289 519 L C 1.256 178.021 176.870 -0.175 0.000 1.064 519 L CA -0.615 53.969 54.840 -0.427 0.000 0.824 519 L CB 1.150 42.984 42.059 -0.376 0.000 1.202 519 L HN 1.020 nan 8.230 nan 0.000 0.433 520 C N 0.377 119.576 119.300 -0.168 0.000 2.448 520 C HA 0.140 4.600 4.460 -0.000 0.000 0.280 520 C C 0.706 175.707 174.990 0.020 0.000 1.398 520 C CA -0.258 58.703 59.018 -0.095 0.000 1.774 520 C CB -0.921 26.792 27.740 -0.045 0.000 1.888 520 C HN 0.766 nan 8.230 nan 0.000 0.519 521 E N -0.624 119.539 120.200 -0.062 0.000 2.290 521 E HA 0.620 4.970 4.350 -0.000 0.000 0.274 521 E C -1.286 175.152 176.600 -0.270 0.000 0.889 521 E CA -0.390 55.972 56.400 -0.063 0.000 0.760 521 E CB 2.007 31.553 29.700 -0.257 0.000 1.206 521 E HN 0.688 nan 8.360 nan 0.000 0.419 522 Y N -1.399 118.782 120.300 -0.199 0.000 2.725 522 Y HA 0.423 4.973 4.550 -0.000 0.000 0.333 522 Y C 0.034 176.000 175.900 0.111 0.000 1.242 522 Y CA -1.335 56.667 58.100 -0.163 0.000 1.059 522 Y CB 0.704 38.935 38.460 -0.381 0.000 1.306 522 Y HN 0.279 nan 8.280 nan 0.000 0.454 523 V N -0.053 119.738 119.914 -0.205 0.000 5.637 523 V HA -0.304 3.816 4.120 -0.000 0.000 0.246 523 V C 0.072 176.164 176.094 -0.004 0.000 0.678 523 V CA 1.426 63.607 62.300 -0.198 0.000 0.578 523 V CB -2.514 29.017 31.823 -0.486 0.000 0.235 523 V HN 1.243 nan 8.190 nan 0.000 0.609 524 H N 2.328 121.477 119.070 0.132 0.000 3.231 524 H HA 0.205 4.761 4.556 -0.000 0.000 0.280 524 H C 1.173 176.509 175.328 0.014 0.000 0.901 524 H CA 0.960 57.103 56.048 0.158 0.000 1.414 524 H CB 1.223 30.982 29.762 -0.005 0.000 1.433 524 H HN 1.001 nan 8.280 nan 0.000 0.549 525 A N 6.237 128.925 122.820 -0.220 0.000 2.308 525 A HA 0.038 4.358 4.320 -0.000 0.000 0.217 525 A C 1.263 178.701 177.584 -0.243 0.000 1.216 525 A CA -0.397 51.512 52.037 -0.214 0.000 0.864 525 A CB -0.132 18.718 19.000 -0.249 0.000 0.902 525 A HN 0.814 nan 8.150 nan 0.000 0.499 526 M N 0.943 120.377 119.600 -0.277 0.000 2.290 526 M HA 0.311 4.791 4.480 -0.000 0.000 0.356 526 M C 1.155 177.278 176.300 -0.295 0.000 1.448 526 M CA 1.542 56.689 55.300 -0.255 0.000 0.993 526 M CB -0.222 32.281 32.600 -0.162 0.000 1.934 526 M HN 0.775 nan 8.290 nan 0.000 0.461 527 G N 4.108 112.691 108.800 -0.363 0.000 2.566 527 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.280 527 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.280 527 G C -0.288 174.065 174.900 -0.911 0.000 1.225 527 G CA 0.174 44.883 45.100 -0.651 0.000 0.966 527 G HN 0.903 nan 8.290 nan 0.000 0.560 528 N N 2.429 120.517 118.700 -1.020 0.000 2.401 528 N HA 0.565 5.304 4.740 -0.000 0.000 0.255 528 N C 0.523 175.784 175.510 -0.415 0.000 1.110 528 N CA 1.729 54.335 53.050 -0.739 0.000 0.949 528 N CB 0.245 38.330 38.487 -0.670 0.000 1.110 528 N HN 1.980 nan 8.380 nan 0.000 0.490 529 G N 3.278 111.926 108.800 -0.254 0.000 2.362 529 G HA2 0.061 4.021 3.960 -0.000 0.000 0.288 529 G HA3 0.061 4.021 3.960 -0.000 0.000 0.288 529 G C -3.340 171.498 174.900 -0.104 0.000 1.305 529 G CA -0.827 44.174 45.100 -0.166 0.000 0.910 529 G HN 0.450 nan 8.290 nan 0.000 0.518 530 P HA 0.553 nan 4.420 nan 0.000 0.287 530 P C 0.476 177.763 177.300 -0.022 0.000 1.279 530 P CA 0.114 63.182 63.100 -0.054 0.000 0.867 530 P CB 1.741 33.417 31.700 -0.041 0.000 1.127 531 G N -0.219 108.571 108.800 -0.017 0.000 2.580 531 G HA2 0.414 4.374 3.960 -0.000 0.000 0.278 531 G HA3 0.414 4.374 3.960 -0.000 0.000 0.278 531 G C 0.444 175.384 174.900 0.067 0.000 1.212 531 G CA -0.049 45.051 45.100 0.000 0.000 0.939 531 G HN 0.708 nan 8.290 nan 0.000 0.513 532 A N -1.253 121.604 122.820 0.061 0.000 3.384 532 A HA -0.222 4.098 4.320 -0.000 0.000 0.260 532 A C 1.878 179.596 177.584 0.222 0.000 1.168 532 A CA 1.829 53.926 52.037 0.100 0.000 1.253 532 A CB -2.061 17.018 19.000 0.131 0.000 1.122 532 A HN 0.607 nan 8.150 nan 0.000 0.934 533 M N 0.096 119.817 119.600 0.202 0.000 2.149 533 M HA -0.207 4.272 4.480 -0.000 0.000 0.261 533 M C 1.953 178.367 176.300 0.189 0.000 1.064 533 M CA 2.319 57.769 55.300 0.251 0.000 1.102 533 M CB -0.674 32.022 32.600 0.161 0.000 1.369 533 M HN 0.785 nan 8.290 nan 0.000 0.408 534 D N -0.062 120.368 120.400 0.051 0.000 2.144 534 D HA -0.195 4.445 4.640 -0.000 0.000 0.200 534 D C 1.704 178.009 176.300 0.009 0.000 0.978 534 D CA 1.352 55.320 54.000 -0.052 0.000 0.833 534 D CB -0.735 39.968 40.800 -0.162 0.000 0.961 534 D HN 0.467 nan 8.370 nan 0.000 0.470 535 Q N -0.682 119.114 119.800 -0.006 0.000 2.084 535 Q HA -0.140 4.199 4.340 -0.000 0.000 0.202 535 Q C 2.171 178.121 176.000 -0.083 0.000 0.978 535 Q CA 1.183 56.912 55.803 -0.123 0.000 0.844 535 Q CB -0.329 28.194 28.738 -0.357 0.000 0.898 535 Q HN 0.427 nan 8.270 nan 0.000 0.426 536 Y N 0.584 120.921 120.300 0.061 0.000 2.181 536 Y HA -0.225 4.325 4.550 -0.000 0.000 0.288 536 Y C 2.399 178.360 175.900 0.100 0.000 1.146 536 Y CA 1.224 59.398 58.100 0.123 0.000 1.164 536 Y CB 0.087 38.725 38.460 0.296 0.000 0.982 536 Y HN 0.109 nan 8.280 nan 0.000 0.515 537 E N 0.229 120.574 120.200 0.241 0.000 2.150 537 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 537 E C 2.200 178.845 176.600 0.075 0.000 0.985 537 E CA 1.090 57.573 56.400 0.139 0.000 0.814 537 E CB -0.300 29.438 29.700 0.063 0.000 0.752 537 E HN 0.366 nan 8.360 nan 0.000 0.466 538 A N 0.146 122.992 122.820 0.044 0.000 1.969 538 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 538 A C 2.160 179.747 177.584 0.006 0.000 1.169 538 A CA 1.081 53.124 52.037 0.010 0.000 0.635 538 A CB -0.563 18.437 19.000 0.001 0.000 0.810 538 A HN 0.309 nan 8.150 nan 0.000 0.445 539 L N -0.645 120.614 121.223 0.060 0.000 2.056 539 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 539 L C 2.472 179.423 176.870 0.135 0.000 1.078 539 L CA 0.997 55.917 54.840 0.133 0.000 0.749 539 L CB -0.631 41.551 42.059 0.206 0.000 0.901 539 L HN 0.231 nan 8.230 nan 0.000 0.433 540 V N -0.234 119.752 119.914 0.121 0.000 2.407 540 V HA -0.273 3.846 4.120 -0.000 0.000 0.248 540 V C 2.079 178.189 176.094 0.026 0.000 1.055 540 V CA 1.784 64.139 62.300 0.092 0.000 1.049 540 V CB -0.558 31.317 31.823 0.088 0.000 0.662 540 V HN 0.423 nan 8.190 nan 0.000 0.455 541 D N -0.129 120.274 120.400 0.004 0.000 2.149 541 D HA -0.181 4.459 4.640 -0.000 0.000 0.198 541 D C 2.168 178.416 176.300 -0.086 0.000 0.990 541 D CA 1.403 55.384 54.000 -0.032 0.000 0.839 541 D CB -0.082 40.698 40.800 -0.032 0.000 0.948 541 D HN 0.433 nan 8.370 nan 0.000 0.460 542 K N -1.110 119.189 120.400 -0.168 0.000 2.211 542 K HA -0.009 4.311 4.320 -0.000 0.000 0.201 542 K C -0.170 176.187 176.600 -0.406 0.000 1.052 542 K CA 0.355 56.414 56.287 -0.381 0.000 0.973 542 K CB 0.386 32.485 32.500 -0.669 0.000 0.766 542 K HN 0.096 nan 8.250 nan 0.000 0.466 543 Y N 0.174 120.479 120.300 0.007 0.000 2.363 543 Y HA 0.241 4.791 4.550 -0.000 0.000 0.325 543 Y C -2.038 173.857 175.900 -0.008 0.000 0.984 543 Y CA -2.477 55.627 58.100 0.007 0.000 1.248 543 Y CB 1.963 40.430 38.460 0.013 0.000 1.116 543 Y HN 0.038 nan 8.280 nan 0.000 0.470 544 P HA -0.223 nan 4.420 nan 0.000 0.217 544 P C 1.566 178.877 177.300 0.018 0.000 1.148 544 P CA 1.426 64.546 63.100 0.033 0.000 0.828 544 P CB 0.260 31.995 31.700 0.058 0.000 0.783 545 R N -0.325 120.260 120.500 0.142 0.000 2.152 545 R HA -0.031 4.309 4.340 -0.000 0.000 0.232 545 R C 0.455 176.976 176.300 0.369 0.000 1.117 545 R CA 0.619 56.871 56.100 0.252 0.000 0.981 545 R CB -0.639 29.777 30.300 0.193 0.000 0.870 545 R HN 0.156 nan 8.270 nan 0.000 0.451 546 L N 1.509 122.873 121.223 0.234 0.000 2.281 546 L HA 0.171 4.511 4.340 -0.000 0.000 0.285 546 L C 0.366 177.334 176.870 0.163 0.000 1.074 546 L CA -0.286 54.758 54.840 0.340 0.000 0.817 546 L CB 1.296 43.517 42.059 0.271 0.000 1.168 546 L HN 0.298 nan 8.230 nan 0.000 0.434 547 H N 2.807 122.012 119.070 0.224 0.000 2.505 547 H HA 0.252 4.808 4.556 -0.000 0.000 0.286 547 H C 1.030 176.413 175.328 0.093 0.000 1.072 547 H CA 0.439 56.568 56.048 0.135 0.000 1.141 547 H CB 1.121 30.993 29.762 0.183 0.000 1.550 547 H HN 0.972 nan 8.280 nan 0.000 0.547 548 G N 0.257 109.133 108.800 0.127 0.000 2.466 548 G HA2 0.029 3.989 3.960 -0.000 0.000 0.218 548 G HA3 0.029 3.989 3.960 -0.000 0.000 0.218 548 G C -0.082 174.721 174.900 -0.163 0.000 1.237 548 G CA -0.408 44.684 45.100 -0.015 0.000 0.954 548 G HN 0.734 nan 8.290 nan 0.000 0.580 549 G N -2.351 106.293 108.800 -0.260 0.000 2.342 549 G HA2 0.648 4.608 3.960 -0.000 0.000 0.297 549 G HA3 0.648 4.608 3.960 -0.000 0.000 0.297 549 G C -1.934 172.845 174.900 -0.202 0.000 1.313 549 G CA -0.204 44.701 45.100 -0.325 0.000 0.830 549 G HN 1.166 nan 8.290 nan 0.000 0.506 550 F N 0.591 120.608 119.950 0.113 0.000 2.460 550 F HA 0.511 5.038 4.527 -0.000 0.000 0.341 550 F C 0.642 176.621 175.800 0.298 0.000 1.130 550 F CA -0.740 57.369 58.000 0.181 0.000 0.962 550 F CB 2.170 41.177 39.000 0.012 0.000 1.171 550 F HN 0.258 nan 8.300 nan 0.000 0.436 551 V N 3.515 123.588 119.914 0.265 0.000 2.673 551 V HA -0.150 3.970 4.120 -0.000 0.000 0.303 551 V C -0.154 175.990 176.094 0.083 0.000 1.046 551 V CA -0.255 62.040 62.300 -0.008 0.000 1.126 551 V CB 0.554 32.187 31.823 -0.316 0.000 0.934 551 V HN 0.741 nan 8.190 nan 0.000 0.487 552 W N 6.669 127.972 121.300 0.004 0.000 2.308 552 W HA 0.488 5.148 4.660 -0.000 0.000 0.311 552 W C 0.011 176.453 176.519 -0.129 0.000 1.088 552 W CA -0.555 56.813 57.345 0.040 0.000 1.309 552 W CB 1.160 30.778 29.460 0.263 0.000 1.229 552 W HN 0.915 nan 8.180 nan 0.000 0.427 553 E N 3.906 123.749 120.200 -0.594 0.000 2.446 553 E HA 0.167 4.517 4.350 -0.000 0.000 0.269 553 E C 0.512 176.840 176.600 -0.454 0.000 0.977 553 E CA -0.791 55.129 56.400 -0.801 0.000 0.854 553 E CB 0.746 29.452 29.700 -1.657 0.000 1.545 553 E HN 0.434 nan 8.360 nan 0.000 0.448 554 W N 1.099 122.064 121.300 -0.559 0.000 2.378 554 W HA 0.046 4.706 4.660 -0.000 0.000 0.313 554 W C 0.215 176.460 176.519 -0.458 0.000 1.197 554 W CA 0.996 58.070 57.345 -0.453 0.000 1.304 554 W CB 0.368 29.602 29.460 -0.376 0.000 1.148 554 W HN 0.391 nan 8.180 nan 0.000 0.494 555 R N 1.123 121.245 120.500 -0.630 0.000 2.750 555 R HA 0.133 4.473 4.340 -0.000 0.000 0.281 555 R C -1.180 174.602 176.300 -0.863 0.000 0.972 555 R CA -0.900 54.734 56.100 -0.775 0.000 0.912 555 R CB 1.603 31.525 30.300 -0.630 0.000 1.187 555 R HN -0.240 nan 8.270 nan 0.000 0.464 556 D N 1.694 121.681 120.400 -0.689 0.000 2.455 556 D HA 0.019 4.659 4.640 -0.000 0.000 0.241 556 D C -0.044 175.870 176.300 -0.644 0.000 1.138 556 D CA 0.583 54.237 54.000 -0.576 0.000 0.877 556 D CB 0.575 41.139 40.800 -0.394 0.000 1.187 556 D HN 0.381 nan 8.370 nan 0.000 0.451 557 H N 1.480 120.489 119.070 -0.102 0.000 2.498 557 H HA 0.308 4.864 4.556 -0.000 0.000 0.239 557 H C 0.851 176.317 175.328 0.230 0.000 1.586 557 H CA -0.444 55.637 56.048 0.056 0.000 1.164 557 H CB -0.181 29.696 29.762 0.192 0.000 1.597 557 H HN 0.254 nan 8.280 nan 0.000 0.516 558 G N 0.936 109.781 108.800 0.075 0.000 2.483 558 G HA2 0.359 4.319 3.960 -0.000 0.000 0.248 558 G HA3 0.359 4.319 3.960 -0.000 0.000 0.248 558 G C 0.031 175.055 174.900 0.207 0.000 1.248 558 G CA -0.487 44.725 45.100 0.188 0.000 0.838 558 G HN 0.407 nan 8.290 nan 0.000 0.566 559 I N 1.523 122.242 120.570 0.248 0.000 2.330 559 I HA 0.263 4.433 4.170 -0.000 0.000 0.289 559 I C 0.758 176.933 176.117 0.098 0.000 1.001 559 I CA -0.678 60.668 61.300 0.077 0.000 1.193 559 I CB 1.486 39.391 38.000 -0.158 0.000 1.345 559 I HN 0.410 nan 8.210 nan 0.000 0.461 560 R N 4.695 125.255 120.500 0.099 0.000 2.401 560 R HA 0.321 4.661 4.340 -0.000 0.000 0.299 560 R C -0.329 175.856 176.300 -0.192 0.000 1.064 560 R CA 0.575 56.626 56.100 -0.083 0.000 1.000 560 R CB 0.803 31.075 30.300 -0.046 0.000 0.973 560 R HN 0.735 nan 8.270 nan 0.000 0.438 561 T N 2.727 117.030 114.554 -0.418 0.000 2.671 561 T HA 0.490 4.839 4.350 -0.000 0.000 0.300 561 T C -1.409 173.036 174.700 -0.425 0.000 1.238 561 T CA -0.745 61.137 62.100 -0.363 0.000 1.020 561 T CB 1.095 69.799 68.868 -0.275 0.000 1.503 561 T HN 0.643 nan 8.240 nan 0.000 0.497 562 R N 1.009 121.390 120.500 -0.199 0.000 2.744 562 R HA 0.578 4.918 4.340 -0.000 0.000 0.279 562 R C -0.286 176.079 176.300 0.107 0.000 0.977 562 R CA -0.824 55.250 56.100 -0.043 0.000 0.906 562 R CB 1.871 32.145 30.300 -0.043 0.000 1.197 562 R HN 0.876 nan 8.270 nan 0.000 0.463 563 T N -1.086 113.531 114.554 0.105 0.000 2.802 563 T HA 0.125 4.475 4.350 -0.000 0.000 0.305 563 T C 1.503 176.207 174.700 0.006 0.000 1.053 563 T CA -0.050 62.058 62.100 0.014 0.000 1.058 563 T CB 1.165 69.943 68.868 -0.150 0.000 0.988 563 T HN 0.672 nan 8.240 nan 0.000 0.539 564 A N 0.769 123.591 122.820 0.004 0.000 2.042 564 A HA -0.118 4.202 4.320 -0.000 0.000 0.222 564 A C 1.961 179.543 177.584 -0.004 0.000 1.167 564 A CA 1.778 53.818 52.037 0.005 0.000 0.649 564 A CB -0.919 18.085 19.000 0.007 0.000 0.809 564 A HN 0.899 nan 8.150 nan 0.000 0.457 565 E N -1.497 118.694 120.200 -0.014 0.000 2.489 565 E HA 0.345 4.695 4.350 -0.000 0.000 0.193 565 E C 1.118 177.707 176.600 -0.018 0.000 1.057 565 E CA 0.672 57.064 56.400 -0.014 0.000 0.866 565 E CB -0.140 29.551 29.700 -0.015 0.000 0.916 565 E HN 0.761 nan 8.360 nan 0.000 0.500 566 G N 1.033 109.820 108.800 -0.021 0.000 2.132 566 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.234 566 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.234 566 G C 0.114 174.993 174.900 -0.035 0.000 0.989 566 G CA 0.284 45.370 45.100 -0.024 0.000 0.676 566 G HN 0.227 nan 8.290 nan 0.000 0.522 567 M N 1.639 121.209 119.600 -0.051 0.000 2.162 567 M HA 0.576 5.056 4.480 -0.000 0.000 0.356 567 M C 0.385 176.652 176.300 -0.055 0.000 1.303 567 M CA -0.437 54.821 55.300 -0.070 0.000 1.116 567 M CB 0.594 33.126 32.600 -0.114 0.000 1.632 567 M HN 0.246 nan 8.290 nan 0.000 0.469 568 E N 4.660 124.821 120.200 -0.064 0.000 2.331 568 E HA 0.523 4.873 4.350 -0.000 0.000 0.272 568 E C -1.442 175.117 176.600 -0.069 0.000 1.036 568 E CA -0.214 56.121 56.400 -0.108 0.000 0.864 568 E CB 0.654 30.259 29.700 -0.160 0.000 1.035 568 E HN 0.620 nan 8.360 nan 0.000 0.408 569 F N 0.852 120.588 119.950 -0.356 0.000 2.713 569 F HA 0.450 4.977 4.527 -0.000 0.000 0.311 569 F C -1.804 173.806 175.800 -0.317 0.000 1.141 569 F CA -1.293 56.509 58.000 -0.329 0.000 0.939 569 F CB 0.765 39.629 39.000 -0.226 0.000 1.325 569 F HN 0.205 nan 8.300 nan 0.000 0.453 570 F N 2.468 122.472 119.950 0.089 0.000 2.404 570 F HA 0.634 5.161 4.527 -0.000 0.000 0.359 570 F C 0.822 176.694 175.800 0.120 0.000 1.134 570 F CA -0.574 57.436 58.000 0.016 0.000 1.160 570 F CB 0.915 39.979 39.000 0.106 0.000 1.186 570 F HN 0.818 nan 8.300 nan 0.000 0.526 571 A N 4.492 127.305 122.820 -0.012 0.000 2.407 571 A HA 0.491 4.811 4.320 -0.000 0.000 0.248 571 A C -0.816 176.985 177.584 0.362 0.000 1.082 571 A CA -0.228 51.822 52.037 0.020 0.000 0.785 571 A CB 0.146 18.860 19.000 -0.478 0.000 1.020 571 A HN 0.757 nan 8.150 nan 0.000 0.489 572 Y N -0.430 120.120 120.300 0.416 0.000 2.833 572 Y HA 0.736 5.286 4.550 -0.000 0.000 0.319 572 Y C 0.685 176.792 175.900 0.345 0.000 1.254 572 Y CA -1.653 56.684 58.100 0.395 0.000 1.138 572 Y CB -0.137 38.425 38.460 0.170 0.000 1.352 572 Y HN 0.872 nan 8.280 nan 0.000 0.546 573 G N -0.001 109.073 108.800 0.457 0.000 2.138 573 G HA2 0.361 4.321 3.960 -0.000 0.000 0.244 573 G HA3 0.361 4.321 3.960 -0.000 0.000 0.244 573 G C 0.942 175.915 174.900 0.122 0.000 1.166 573 G CA 0.514 45.858 45.100 0.406 0.000 0.902 573 G HN 1.990 nan 8.290 nan 0.000 0.460 574 G N 2.320 110.989 108.800 -0.218 0.000 2.234 574 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.235 574 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.235 574 G C 0.877 175.665 174.900 -0.187 0.000 0.997 574 G CA 0.625 45.270 45.100 -0.759 0.000 0.623 574 G HN 0.631 nan 8.290 nan 0.000 0.514 575 D N -0.188 120.142 120.400 -0.116 0.000 2.363 575 D HA 0.155 4.795 4.640 -0.000 0.000 0.220 575 D C 1.260 177.363 176.300 -0.328 0.000 0.994 575 D CA 0.445 54.300 54.000 -0.242 0.000 0.890 575 D CB -0.176 40.414 40.800 -0.350 0.000 0.906 575 D HN 0.518 nan 8.370 nan 0.000 0.530 576 F N -0.547 119.501 119.950 0.162 0.000 2.772 576 F HA 0.291 4.818 4.527 -0.000 0.000 0.302 576 F C 1.531 177.416 175.800 0.142 0.000 1.136 576 F CA -0.514 57.574 58.000 0.147 0.000 1.322 576 F CB 0.790 39.892 39.000 0.170 0.000 0.967 576 F HN -0.103 nan 8.300 nan 0.000 0.513 577 G N 0.693 109.631 108.800 0.229 0.000 2.179 577 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.257 577 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.257 577 G C -0.070 174.964 174.900 0.223 0.000 1.010 577 G CA -0.210 45.007 45.100 0.194 0.000 0.736 577 G HN 0.382 nan 8.290 nan 0.000 0.513 578 E N -0.622 119.737 120.200 0.264 0.000 2.413 578 E HA 0.350 4.699 4.350 -0.000 0.000 0.263 578 E C 1.703 178.473 176.600 0.283 0.000 1.015 578 E CA 0.180 56.759 56.400 0.299 0.000 0.916 578 E CB 1.013 30.935 29.700 0.371 0.000 0.947 578 E HN 0.104 nan 8.360 nan 0.000 0.440 579 V N 2.552 122.590 119.914 0.207 0.000 2.237 579 V HA -0.130 3.990 4.120 -0.000 0.000 0.245 579 V C 0.864 177.032 176.094 0.122 0.000 1.046 579 V CA 1.632 64.018 62.300 0.143 0.000 1.007 579 V CB -0.505 31.370 31.823 0.088 0.000 0.638 579 V HN 0.608 nan 8.190 nan 0.000 0.445 580 V N 0.015 119.985 119.914 0.093 0.000 2.628 580 V HA 0.758 4.878 4.120 -0.000 0.000 0.306 580 V C -0.637 175.513 176.094 0.094 0.000 1.045 580 V CA -0.450 61.852 62.300 0.003 0.000 0.905 580 V CB 1.648 33.419 31.823 -0.086 0.000 0.997 580 V HN 0.743 nan 8.190 nan 0.000 0.436 581 H N 1.110 120.187 119.070 0.012 0.000 2.967 581 H HA 0.490 5.046 4.556 -0.000 0.000 0.318 581 H C -1.684 173.636 175.328 -0.015 0.000 1.375 581 H CA -0.564 55.498 56.048 0.024 0.000 1.132 581 H CB 2.121 31.988 29.762 0.175 0.000 1.848 581 H HN 0.618 nan 8.280 nan 0.000 0.524 582 D N 0.971 121.438 120.400 0.111 0.000 2.696 582 D HA 0.146 4.786 4.640 -0.000 0.000 0.269 582 D C 0.587 177.247 176.300 0.600 0.000 1.319 582 D CA 0.369 54.462 54.000 0.156 0.000 0.826 582 D CB 0.848 41.556 40.800 -0.153 0.000 1.086 582 D HN 0.638 nan 8.370 nan 0.000 0.481 583 S N 2.343 118.514 115.700 0.785 0.000 3.949 583 S HA -0.284 4.186 4.470 -0.000 0.000 0.626 583 S C 0.806 175.541 174.600 0.226 0.000 2.168 583 S CA 1.592 60.133 58.200 0.569 0.000 4.124 583 S CB -1.023 62.418 63.200 0.401 0.000 0.220 583 S HN 0.524 nan 8.310 nan 0.000 0.750 584 N N 1.695 120.222 118.700 -0.288 0.000 2.362 584 N HA 0.120 4.860 4.740 -0.000 0.000 0.204 584 N C 1.090 176.346 175.510 -0.424 0.000 1.166 584 N CA 0.545 53.151 53.050 -0.741 0.000 0.831 584 N CB -0.808 36.877 38.487 -1.337 0.000 1.008 584 N HN 0.537 nan 8.380 nan 0.000 0.472 585 F N 0.223 120.131 119.950 -0.071 0.000 2.451 585 F HA -0.008 4.519 4.527 -0.000 0.000 0.299 585 F C 2.101 177.875 175.800 -0.043 0.000 1.101 585 F CA 0.429 58.459 58.000 0.050 0.000 1.436 585 F CB 0.114 39.240 39.000 0.211 0.000 1.074 585 F HN 0.024 nan 8.300 nan 0.000 0.553 586 V N 0.432 120.120 119.914 -0.377 0.000 3.380 586 V HA -0.064 4.056 4.120 -0.000 0.000 0.268 586 V C 0.994 177.003 176.094 -0.142 0.000 1.168 586 V CA 0.776 62.779 62.300 -0.496 0.000 1.156 586 V CB -0.330 30.682 31.823 -1.352 0.000 0.785 586 V HN 0.042 nan 8.190 nan 0.000 0.487 587 M N 1.853 121.341 119.600 -0.187 0.000 3.428 587 M HA 0.347 4.827 4.480 -0.000 0.000 0.229 587 M C -0.208 175.961 176.300 -0.217 0.000 1.299 587 M CA -0.258 54.928 55.300 -0.190 0.000 1.405 587 M CB -0.267 32.221 32.600 -0.186 0.000 1.119 587 M HN 0.396 nan 8.290 nan 0.000 0.613 588 D N -0.816 119.464 120.400 -0.199 0.000 2.804 588 D HA 0.336 4.976 4.640 -0.000 0.000 0.308 588 D C 0.511 176.611 176.300 -0.333 0.000 1.371 588 D CA -0.239 53.623 54.000 -0.229 0.000 0.823 588 D CB 0.113 40.863 40.800 -0.084 0.000 1.126 588 D HN 0.345 nan 8.370 nan 0.000 0.467 589 G N -0.143 108.428 108.800 -0.382 0.000 2.437 589 G HA2 0.383 4.343 3.960 -0.000 0.000 0.319 589 G HA3 0.383 4.343 3.960 -0.000 0.000 0.319 589 G C 0.831 175.472 174.900 -0.432 0.000 1.158 589 G CA -0.669 44.148 45.100 -0.473 0.000 0.899 589 G HN -0.020 nan 8.290 nan 0.000 0.502 590 M N 0.089 119.386 119.600 -0.505 0.000 2.394 590 M HA 0.055 4.535 4.480 -0.000 0.000 0.264 590 M C 0.460 176.376 176.300 -0.641 0.000 1.073 590 M CA 0.784 55.781 55.300 -0.504 0.000 1.111 590 M CB -0.193 32.094 32.600 -0.522 0.000 1.401 590 M HN 0.108 nan 8.290 nan 0.000 0.448 591 V N 1.292 120.711 119.914 -0.824 0.000 2.555 591 V HA 0.381 4.501 4.120 -0.000 0.000 0.302 591 V C 0.356 176.099 176.094 -0.584 0.000 1.038 591 V CA -0.880 60.940 62.300 -0.801 0.000 0.887 591 V CB 2.354 33.465 31.823 -1.187 0.000 0.991 591 V HN 0.142 nan 8.190 nan 0.000 0.434 592 L N 2.447 123.408 121.223 -0.437 0.000 2.479 592 L HA 0.247 4.587 4.340 -0.000 0.000 0.248 592 L C 1.736 178.333 176.870 -0.454 0.000 1.205 592 L CA -0.089 54.527 54.840 -0.374 0.000 0.817 592 L CB 0.445 42.345 42.059 -0.264 0.000 1.162 592 L HN 0.706 nan 8.230 nan 0.000 0.486 593 S N 0.049 115.404 115.700 -0.574 0.000 2.419 593 S HA -0.143 4.327 4.470 -0.000 0.000 0.233 593 S C 0.995 175.199 174.600 -0.660 0.000 1.016 593 S CA 1.375 59.091 58.200 -0.807 0.000 0.974 593 S CB -0.368 61.935 63.200 -1.495 0.000 0.786 593 S HN 0.842 nan 8.310 nan 0.000 0.492 594 D N 0.161 120.305 120.400 -0.427 0.000 2.336 594 D HA 0.195 4.835 4.640 -0.000 0.000 0.228 594 D C 0.270 176.496 176.300 -0.123 0.000 1.120 594 D CA 0.196 54.122 54.000 -0.123 0.000 0.839 594 D CB -0.327 40.533 40.800 0.100 0.000 0.932 594 D HN 0.084 nan 8.370 nan 0.000 0.509 595 S N -1.835 113.737 115.700 -0.214 0.000 3.171 595 S HA -0.148 4.322 4.470 -0.000 0.000 0.279 595 S C 0.234 174.727 174.600 -0.178 0.000 1.294 595 S CA 0.723 58.806 58.200 -0.194 0.000 1.077 595 S CB -2.273 60.873 63.200 -0.091 0.000 1.298 595 S HN 0.537 nan 8.310 nan 0.000 0.666 596 T N 3.928 118.378 114.554 -0.174 0.000 2.779 596 T HA 0.401 4.751 4.350 -0.000 0.000 0.296 596 T C -2.309 172.249 174.700 -0.236 0.000 0.938 596 T CA -0.785 61.232 62.100 -0.139 0.000 1.119 596 T CB 0.708 69.516 68.868 -0.099 0.000 0.891 596 T HN 0.019 nan 8.240 nan 0.000 0.526 597 P HA 0.163 nan 4.420 nan 0.000 0.271 597 P C 0.361 177.550 177.300 -0.185 0.000 1.216 597 P CA -0.368 62.493 63.100 -0.398 0.000 0.771 597 P CB 0.239 31.606 31.700 -0.555 0.000 0.864 598 T N 0.926 115.345 114.554 -0.226 0.000 2.874 598 T HA 0.286 4.636 4.350 -0.000 0.000 0.281 598 T C -1.832 172.918 174.700 0.083 0.000 0.994 598 T CA -1.947 60.105 62.100 -0.080 0.000 1.015 598 T CB 0.222 69.053 68.868 -0.062 0.000 1.028 598 T HN 0.115 nan 8.240 nan 0.000 0.523 599 P HA 0.004 nan 4.420 nan 0.000 0.218 599 P C 1.744 179.158 177.300 0.189 0.000 1.146 599 P CA 1.160 64.373 63.100 0.189 0.000 0.813 599 P CB -0.386 31.393 31.700 0.131 0.000 0.778 600 G N -0.366 108.498 108.800 0.107 0.000 2.432 600 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.219 600 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.219 600 G C 1.398 176.343 174.900 0.075 0.000 1.135 600 G CA 0.342 45.482 45.100 0.068 0.000 0.767 600 G HN 0.228 nan 8.290 nan 0.000 0.550 601 L N -0.713 120.504 121.223 -0.010 0.000 2.109 601 L HA 0.187 4.527 4.340 -0.000 0.000 0.207 601 L C 2.512 179.472 176.870 0.150 0.000 1.086 601 L CA 1.220 56.011 54.840 -0.082 0.000 0.760 601 L CB -0.566 41.180 42.059 -0.522 0.000 0.910 601 L HN 0.302 nan 8.230 nan 0.000 0.437 602 Y N -0.191 120.242 120.300 0.222 0.000 2.224 602 Y HA -0.251 4.299 4.550 -0.000 0.000 0.289 602 Y C 2.653 178.688 175.900 0.225 0.000 1.146 602 Y CA 1.631 59.926 58.100 0.325 0.000 1.182 602 Y CB -0.203 38.398 38.460 0.235 0.000 0.983 602 Y HN 0.293 nan 8.280 nan 0.000 0.524 603 E N 0.071 120.466 120.200 0.325 0.000 2.051 603 E HA -0.241 4.108 4.350 -0.000 0.000 0.192 603 E C 1.958 178.679 176.600 0.202 0.000 0.991 603 E CA 1.404 57.942 56.400 0.230 0.000 0.799 603 E CB -0.637 29.174 29.700 0.185 0.000 0.748 603 E HN 0.385 nan 8.360 nan 0.000 0.449 604 F N 1.550 121.544 119.950 0.073 0.000 2.065 604 F HA -0.229 4.298 4.527 -0.000 0.000 0.298 604 F C 2.196 178.021 175.800 0.042 0.000 1.112 604 F CA 2.296 60.320 58.000 0.039 0.000 1.212 604 F CB -0.373 38.646 39.000 0.032 0.000 0.975 604 F HN -0.028 nan 8.300 nan 0.000 0.476 605 K N -0.127 120.388 120.400 0.191 0.000 2.020 605 K HA -0.339 3.981 4.320 -0.000 0.000 0.212 605 K C 2.273 178.819 176.600 -0.090 0.000 1.050 605 K CA 2.059 58.383 56.287 0.063 0.000 0.929 605 K CB -0.450 32.193 32.500 0.238 0.000 0.714 605 K HN 0.389 nan 8.250 nan 0.000 0.443 606 Q N 1.066 120.867 119.800 0.001 0.000 2.050 606 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 606 Q C 1.884 177.818 176.000 -0.109 0.000 0.980 606 Q CA 1.853 57.646 55.803 -0.017 0.000 0.840 606 Q CB -0.225 28.555 28.738 0.071 0.000 0.898 606 Q HN 0.488 nan 8.270 nan 0.000 0.424 607 I N 0.050 120.521 120.570 -0.166 0.000 2.315 607 I HA -0.171 3.999 4.170 -0.000 0.000 0.248 607 I C 1.742 177.662 176.117 -0.329 0.000 1.117 607 I CA 1.168 62.319 61.300 -0.248 0.000 1.404 607 I CB -0.116 37.744 38.000 -0.234 0.000 1.071 607 I HN 0.260 nan 8.210 nan 0.000 0.419 608 V N -2.573 117.019 119.914 -0.537 0.000 3.514 608 V HA 0.191 4.311 4.120 -0.000 0.000 0.301 608 V C 0.932 176.714 176.094 -0.520 0.000 1.346 608 V CA -0.469 61.362 62.300 -0.781 0.000 1.156 608 V CB -0.569 30.360 31.823 -1.490 0.000 1.029 608 V HN 0.244 nan 8.190 nan 0.000 0.428 609 S N 3.005 118.537 115.700 -0.281 0.000 2.563 609 S HA 0.169 4.639 4.470 -0.000 0.000 0.294 609 S C -0.308 174.239 174.600 -0.089 0.000 1.279 609 S CA -0.109 58.003 58.200 -0.148 0.000 1.069 609 S CB 0.913 64.061 63.200 -0.087 0.000 0.828 609 S HN 0.604 nan 8.310 nan 0.000 0.497 610 P HA 0.060 nan 4.420 nan 0.000 0.226 610 P C -0.069 177.238 177.300 0.013 0.000 1.153 610 P CA 0.649 63.759 63.100 0.016 0.000 0.777 610 P CB 0.014 31.732 31.700 0.029 0.000 0.794 611 I N 1.020 121.591 120.570 0.001 0.000 2.405 611 I HA 0.293 4.463 4.170 -0.000 0.000 0.280 611 I C 0.472 176.589 176.117 0.000 0.000 1.027 611 I CA -1.356 59.947 61.300 0.005 0.000 1.161 611 I CB 0.954 38.960 38.000 0.009 0.000 1.300 611 I HN -0.141 nan 8.210 nan 0.000 0.463 612 R N 6.973 127.474 120.500 0.002 0.000 2.221 612 R HA 0.633 4.973 4.340 -0.000 0.000 0.327 612 R C -1.419 174.888 176.300 0.011 0.000 1.033 612 R CA -0.061 56.040 56.100 0.002 0.000 0.887 612 R CB 0.667 30.967 30.300 -0.000 0.000 1.057 612 R HN 0.570 nan 8.270 nan 0.000 0.455 613 L N 3.594 124.828 121.223 0.018 0.000 2.346 613 L HA 0.729 5.069 4.340 -0.000 0.000 0.274 613 L C 0.322 177.212 176.870 0.033 0.000 1.007 613 L CA -1.032 53.824 54.840 0.027 0.000 0.818 613 L CB 2.346 44.426 42.059 0.035 0.000 1.284 613 L HN 0.863 nan 8.230 nan 0.000 0.424 614 G N 2.823 111.641 108.800 0.029 0.000 2.591 614 G HA2 0.743 4.703 3.960 -0.000 0.000 0.306 614 G HA3 0.743 4.703 3.960 -0.000 0.000 0.306 614 G C -1.480 173.435 174.900 0.025 0.000 1.334 614 G CA -0.449 44.670 45.100 0.032 0.000 0.981 614 G HN 0.362 nan 8.290 nan 0.000 0.491 615 L N 1.403 122.643 121.223 0.029 0.000 2.365 615 L HA 0.767 5.107 4.340 -0.000 0.000 0.273 615 L C 0.170 177.042 176.870 0.002 0.000 1.000 615 L CA -0.746 54.102 54.840 0.014 0.000 0.819 615 L CB 2.455 44.530 42.059 0.026 0.000 1.284 615 L HN 0.775 nan 8.230 nan 0.000 0.418 616 S N 2.408 118.098 115.700 -0.016 0.000 2.638 616 S HA 0.737 5.207 4.470 -0.000 0.000 0.274 616 S C -1.360 173.215 174.600 -0.041 0.000 1.157 616 S CA -0.810 57.376 58.200 -0.023 0.000 0.826 616 S CB 2.289 65.480 63.200 -0.016 0.000 1.139 616 S HN 0.408 nan 8.310 nan 0.000 0.474 617 L N 2.304 123.501 121.223 -0.043 0.000 2.401 617 L HA 0.580 4.920 4.340 -0.000 0.000 0.263 617 L C -2.540 174.305 176.870 -0.042 0.000 1.004 617 L CA -1.521 53.288 54.840 -0.052 0.000 0.881 617 L CB 1.018 43.040 42.059 -0.062 0.000 1.219 617 L HN 0.648 nan 8.230 nan 0.000 0.441 618 P HA 0.229 nan 4.420 nan 0.000 0.271 618 P C -0.394 176.886 177.300 -0.032 0.000 1.216 618 P CA -0.377 62.705 63.100 -0.031 0.000 0.771 618 P CB 0.986 32.667 31.700 -0.030 0.000 0.864 619 A N 2.753 125.557 122.820 -0.027 0.000 2.583 619 A HA 0.292 4.611 4.320 -0.000 0.000 0.249 619 A C 1.679 179.247 177.584 -0.028 0.000 1.035 619 A CA 0.857 52.878 52.037 -0.026 0.000 0.777 619 A CB -1.460 17.527 19.000 -0.021 0.000 0.942 619 A HN 1.017 nan 8.150 nan 0.000 0.516 620 G N 1.930 110.712 108.800 -0.030 0.000 2.270 620 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.268 620 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.268 620 G C 1.174 176.053 174.900 -0.034 0.000 0.982 620 G CA 1.143 46.224 45.100 -0.030 0.000 0.628 620 G HN 2.002 nan 8.290 nan 0.000 0.544 621 G N -0.517 108.261 108.800 -0.037 0.000 2.553 621 G HA2 0.556 4.516 3.960 -0.000 0.000 0.278 621 G HA3 0.556 4.516 3.960 -0.000 0.000 0.278 621 G C 0.115 174.982 174.900 -0.055 0.000 1.349 621 G CA -0.052 45.022 45.100 -0.043 0.000 1.037 621 G HN 0.516 nan 8.290 nan 0.000 0.508 622 K N 0.204 120.566 120.400 -0.065 0.000 2.139 622 K HA 0.398 4.718 4.320 -0.000 0.000 0.243 622 K C -2.501 174.040 176.600 -0.097 0.000 0.983 622 K CA -1.548 54.686 56.287 -0.087 0.000 0.890 622 K CB 1.526 33.968 32.500 -0.098 0.000 1.090 622 K HN 0.136 nan 8.250 nan 0.000 0.445 623 P HA -0.024 nan 4.420 nan 0.000 0.261 623 P C -1.045 176.184 177.300 -0.117 0.000 1.183 623 P CA 0.244 63.271 63.100 -0.122 0.000 0.761 623 P CB 0.422 32.025 31.700 -0.161 0.000 0.785 624 T N 4.444 118.949 114.554 -0.081 0.000 2.779 624 T HA 0.411 4.761 4.350 -0.000 0.000 0.280 624 T C -0.357 174.315 174.700 -0.047 0.000 0.987 624 T CA -0.392 61.670 62.100 -0.064 0.000 0.966 624 T CB 0.503 69.343 68.868 -0.046 0.000 0.933 624 T HN 0.135 nan 8.240 nan 0.000 0.442 625 L N 4.084 125.280 121.223 -0.045 0.000 2.272 625 L HA 0.757 5.097 4.340 -0.000 0.000 0.289 625 L C -0.044 176.820 176.870 -0.010 0.000 1.032 625 L CA -0.409 54.418 54.840 -0.021 0.000 0.810 625 L CB 0.340 42.388 42.059 -0.019 0.000 1.205 625 L HN 0.727 nan 8.230 nan 0.000 0.422 626 A N 5.242 128.062 122.820 -0.001 0.000 2.309 626 A HA 0.749 5.069 4.320 -0.000 0.000 0.298 626 A C -0.980 176.610 177.584 0.009 0.000 1.165 626 A CA -0.467 51.572 52.037 0.003 0.000 0.821 626 A CB 0.869 19.871 19.000 0.004 0.000 1.102 626 A HN 0.559 nan 8.150 nan 0.000 0.500 627 V N 1.330 121.250 119.914 0.008 0.000 2.577 627 V HA 0.717 4.837 4.120 -0.000 0.000 0.303 627 V C 0.077 176.176 176.094 0.009 0.000 1.042 627 V CA -0.278 62.029 62.300 0.012 0.000 0.872 627 V CB 1.541 33.373 31.823 0.014 0.000 0.998 627 V HN 1.279 nan 8.190 nan 0.000 0.423 628 A N 3.223 126.049 122.820 0.009 0.000 2.343 628 A HA 0.702 5.022 4.320 -0.000 0.000 0.308 628 A C -0.458 177.132 177.584 0.010 0.000 1.092 628 A CA -0.607 51.435 52.037 0.008 0.000 0.751 628 A CB 1.088 20.092 19.000 0.006 0.000 1.203 628 A HN 0.703 nan 8.150 nan 0.000 0.452 629 N N 2.940 121.646 118.700 0.009 0.000 2.439 629 N HA 0.225 4.965 4.740 -0.000 0.000 0.243 629 N C 0.074 175.593 175.510 0.015 0.000 1.088 629 N CA -0.268 52.789 53.050 0.011 0.000 0.940 629 N CB 0.244 38.736 38.487 0.008 0.000 1.180 629 N HN 0.614 nan 8.380 nan 0.000 0.505 630 L N 2.314 123.551 121.223 0.022 0.000 2.629 630 L HA 0.246 4.586 4.340 -0.000 0.000 0.230 630 L C 1.165 178.063 176.870 0.046 0.000 1.151 630 L CA -0.143 54.716 54.840 0.031 0.000 0.924 630 L CB -0.137 41.946 42.059 0.040 0.000 1.137 630 L HN 0.272 nan 8.230 nan 0.000 0.457 631 R N -0.463 120.062 120.500 0.043 0.000 2.774 631 R HA -0.021 4.319 4.340 -0.000 0.000 0.269 631 R C 1.432 177.779 176.300 0.079 0.000 1.068 631 R CA -0.101 56.036 56.100 0.061 0.000 1.180 631 R CB 0.510 30.834 30.300 0.039 0.000 1.077 631 R HN 0.151 nan 8.270 nan 0.000 0.513 632 H N -0.037 119.045 119.070 0.021 0.000 2.355 632 H HA -0.075 4.481 4.556 -0.000 0.000 0.303 632 H C 1.319 176.665 175.328 0.030 0.000 1.061 632 H CA 2.119 58.188 56.048 0.034 0.000 1.368 632 H CB 0.650 30.472 29.762 0.101 0.000 1.412 632 H HN 0.695 nan 8.280 nan 0.000 0.523 633 T N -1.721 112.785 114.554 -0.080 0.000 3.105 633 T HA 0.403 4.752 4.350 -0.000 0.000 0.257 633 T C 0.629 175.287 174.700 -0.069 0.000 0.949 633 T CA 0.277 62.288 62.100 -0.149 0.000 0.959 633 T CB -0.447 68.328 68.868 -0.155 0.000 1.205 633 T HN 0.352 nan 8.240 nan 0.000 0.496 634 A N 3.200 125.997 122.820 -0.038 0.000 2.401 634 A HA 0.551 4.871 4.320 -0.000 0.000 0.259 634 A C 0.270 177.842 177.584 -0.021 0.000 1.103 634 A CA -0.260 51.756 52.037 -0.036 0.000 0.789 634 A CB -0.074 18.903 19.000 -0.038 0.000 1.035 634 A HN 0.751 nan 8.150 nan 0.000 0.491 635 D N 1.303 121.692 120.400 -0.019 0.000 2.393 635 D HA 0.357 4.997 4.640 -0.000 0.000 0.246 635 D C 0.549 176.846 176.300 -0.006 0.000 1.275 635 D CA 0.099 54.093 54.000 -0.010 0.000 0.979 635 D CB 0.790 41.586 40.800 -0.007 0.000 1.101 635 D HN 0.422 nan 8.370 nan 0.000 0.505 636 A N -0.352 122.467 122.820 -0.001 0.000 2.476 636 A HA 0.197 4.517 4.320 -0.000 0.000 0.263 636 A C 1.595 179.179 177.584 0.000 0.000 1.342 636 A CA 0.300 52.338 52.037 0.002 0.000 0.926 636 A CB -1.041 17.963 19.000 0.007 0.000 1.019 636 A HN 0.516 nan 8.150 nan 0.000 0.515 637 S N 0.771 116.468 115.700 -0.004 0.000 2.447 637 S HA -0.154 4.316 4.470 -0.000 0.000 0.233 637 S C 1.268 175.862 174.600 -0.011 0.000 1.006 637 S CA 1.058 59.255 58.200 -0.006 0.000 0.957 637 S CB -0.327 62.868 63.200 -0.009 0.000 0.773 637 S HN 0.691 nan 8.310 nan 0.000 0.507 638 D N 1.085 121.477 120.400 -0.014 0.000 2.363 638 D HA 0.051 4.691 4.640 -0.000 0.000 0.220 638 D C 0.328 176.619 176.300 -0.015 0.000 0.994 638 D CA 0.072 54.060 54.000 -0.021 0.000 0.890 638 D CB -0.217 40.568 40.800 -0.025 0.000 0.906 638 D HN 0.346 nan 8.370 nan 0.000 0.530 639 V N 0.841 120.752 119.914 -0.004 0.000 2.513 639 V HA 0.390 4.510 4.120 -0.000 0.000 0.299 639 V C -0.263 175.833 176.094 0.004 0.000 1.035 639 V CA -1.014 61.287 62.300 0.002 0.000 0.889 639 V CB 2.326 34.155 31.823 0.010 0.000 0.988 639 V HN 0.014 nan 8.190 nan 0.000 0.440 640 V N 6.350 126.266 119.914 0.003 0.000 2.769 640 V HA 0.598 4.718 4.120 -0.000 0.000 0.312 640 V C -0.772 175.334 176.094 0.021 0.000 1.061 640 V CA -0.616 61.690 62.300 0.010 0.000 0.931 640 V CB 2.080 33.903 31.823 -0.000 0.000 1.010 640 V HN 0.734 nan 8.190 nan 0.000 0.433 641 L N 7.163 128.412 121.223 0.044 0.000 2.264 641 L HA 0.610 4.950 4.340 -0.000 0.000 0.287 641 L C 0.125 177.053 176.870 0.097 0.000 1.039 641 L CA -0.382 54.500 54.840 0.070 0.000 0.829 641 L CB 1.007 43.118 42.059 0.087 0.000 1.211 641 L HN 0.529 nan 8.230 nan 0.000 0.427 642 R N 4.336 124.874 120.500 0.064 0.000 2.294 642 R HA 0.424 4.764 4.340 -0.000 0.000 0.319 642 R C -0.978 175.373 176.300 0.086 0.000 0.984 642 R CA -0.521 55.586 56.100 0.012 0.000 0.861 642 R CB 1.812 32.085 30.300 -0.044 0.000 1.104 642 R HN 0.605 nan 8.270 nan 0.000 0.451 643 W N 3.219 124.525 121.300 0.011 0.000 2.706 643 W HA 0.633 5.293 4.660 -0.000 0.000 0.346 643 W C -0.841 175.692 176.519 0.023 0.000 1.071 643 W CA -1.200 56.157 57.345 0.020 0.000 1.206 643 W CB 0.989 30.461 29.460 0.020 0.000 1.413 643 W HN 0.581 nan 8.180 nan 0.000 0.542 644 R N 0.760 121.436 120.500 0.294 0.000 2.604 644 R HA 0.659 4.999 4.340 -0.000 0.000 0.270 644 R C -2.009 174.494 176.300 0.338 0.000 1.052 644 R CA -0.877 55.324 56.100 0.169 0.000 0.902 644 R CB 1.675 31.981 30.300 0.009 0.000 1.233 644 R HN 0.293 nan 8.270 nan 0.000 0.455 645 V N 0.863 120.979 119.914 0.337 0.000 2.459 645 V HA 0.480 4.600 4.120 -0.000 0.000 0.295 645 V C -0.230 175.993 176.094 0.215 0.000 1.029 645 V CA -0.833 61.635 62.300 0.280 0.000 0.874 645 V CB 1.473 33.454 31.823 0.263 0.000 0.985 645 V HN 0.794 nan 8.190 nan 0.000 0.438 646 E N 2.100 122.441 120.200 0.236 0.000 2.222 646 E HA 0.390 4.740 4.350 -0.000 0.000 0.267 646 E C -1.046 175.729 176.600 0.292 0.000 0.884 646 E CA -0.644 55.890 56.400 0.223 0.000 0.764 646 E CB 2.285 32.104 29.700 0.197 0.000 1.169 646 E HN 0.855 nan 8.360 nan 0.000 0.413 647 H N 4.055 123.203 119.070 0.129 0.000 2.556 647 H HA 0.068 4.624 4.556 -0.000 0.000 0.310 647 H C -0.698 174.672 175.328 0.070 0.000 1.057 647 H CA -0.696 55.413 56.048 0.101 0.000 1.264 647 H CB 0.547 30.343 29.762 0.056 0.000 1.404 647 H HN 0.542 nan 8.280 nan 0.000 0.462 648 D N 4.652 125.001 120.400 -0.084 0.000 2.706 648 D HA -0.206 4.434 4.640 -0.000 0.000 0.230 648 D C 1.291 177.540 176.300 -0.085 0.000 1.184 648 D CA 1.618 55.419 54.000 -0.331 0.000 0.628 648 D CB -1.327 39.157 40.800 -0.527 0.000 1.019 648 D HN 1.102 nan 8.370 nan 0.000 0.415 649 G N -1.394 107.526 108.800 0.201 0.000 2.241 649 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.244 649 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.244 649 G C 0.429 175.366 174.900 0.062 0.000 0.998 649 G CA 0.505 45.715 45.100 0.183 0.000 0.621 649 G HN 1.217 nan 8.290 nan 0.000 0.519 650 A N 0.701 123.545 122.820 0.039 0.000 2.274 650 A HA 0.726 5.046 4.320 -0.000 0.000 0.309 650 A C 0.572 178.194 177.584 0.063 0.000 1.226 650 A CA 0.049 52.103 52.037 0.027 0.000 0.853 650 A CB 1.223 20.222 19.000 -0.001 0.000 1.146 650 A HN 1.201 nan 8.150 nan 0.000 0.518 651 V N 2.667 122.607 119.914 0.044 0.000 2.493 651 V HA 0.174 4.294 4.120 -0.000 0.000 0.292 651 V C 1.368 177.499 176.094 0.062 0.000 1.016 651 V CA 1.100 63.431 62.300 0.050 0.000 1.097 651 V CB 0.299 32.127 31.823 0.009 0.000 0.947 651 V HN 1.081 nan 8.190 nan 0.000 0.479 652 A N 4.054 126.931 122.820 0.095 0.000 2.035 652 A HA 0.769 5.089 4.320 -0.000 0.000 0.208 652 A C 0.948 178.584 177.584 0.086 0.000 1.206 652 A CA 0.812 52.908 52.037 0.098 0.000 0.773 652 A CB 0.264 19.341 19.000 0.127 0.000 0.878 652 A HN 1.292 nan 8.150 nan 0.000 0.469 653 A N -0.868 122.011 122.820 0.099 0.000 2.605 653 A HA 0.665 4.985 4.320 -0.000 0.000 0.294 653 A C -0.527 177.001 177.584 -0.094 0.000 1.062 653 A CA 0.224 52.308 52.037 0.079 0.000 0.682 653 A CB 0.661 19.813 19.000 0.254 0.000 1.278 653 A HN 1.391 nan 8.150 nan 0.000 0.410 654 S N -0.362 115.063 115.700 -0.458 0.000 2.596 654 S HA 0.971 5.441 4.470 -0.000 0.000 0.270 654 S C -0.266 173.530 174.600 -1.340 0.000 1.155 654 S CA -0.107 57.483 58.200 -1.016 0.000 0.827 654 S CB 1.331 64.231 63.200 -0.501 0.000 1.130 654 S HN 2.579 nan 8.310 nan 0.000 0.467 655 G N -0.030 107.719 108.800 -1.751 0.000 2.550 655 G HA2 0.609 4.569 3.960 -0.000 0.000 0.293 655 G HA3 0.609 4.569 3.960 -0.000 0.000 0.293 655 G C -2.246 172.244 174.900 -0.683 0.000 1.402 655 G CA -0.759 43.705 45.100 -1.060 0.000 0.784 655 G HN 0.755 nan 8.290 nan 0.000 0.482 656 E N -1.275 118.840 120.200 -0.142 0.000 2.343 656 E HA 0.660 5.010 4.350 -0.000 0.000 0.270 656 E C -1.468 175.224 176.600 0.153 0.000 0.895 656 E CA -0.842 55.566 56.400 0.013 0.000 0.767 656 E CB 3.321 33.007 29.700 -0.023 0.000 1.248 656 E HN 0.279 nan 8.360 nan 0.000 0.440 657 V N 1.308 121.314 119.914 0.154 0.000 2.808 657 V HA 0.521 4.641 4.120 -0.000 0.000 0.308 657 V C -0.695 175.444 176.094 0.076 0.000 1.099 657 V CA -0.636 61.743 62.300 0.132 0.000 0.920 657 V CB 1.952 33.875 31.823 0.167 0.000 1.014 657 V HN 0.845 nan 8.190 nan 0.000 0.425 658 A N 3.441 126.292 122.820 0.053 0.000 2.371 658 A HA 0.760 5.080 4.320 -0.000 0.000 0.257 658 A C 0.519 178.122 177.584 0.031 0.000 1.089 658 A CA 0.264 52.322 52.037 0.034 0.000 0.794 658 A CB 0.685 19.699 19.000 0.024 0.000 1.029 658 A HN 1.577 nan 8.150 nan 0.000 0.488 659 A N 2.760 125.594 122.820 0.024 0.000 2.666 659 A HA 0.506 4.826 4.320 -0.000 0.000 0.312 659 A C 0.043 177.635 177.584 0.014 0.000 1.471 659 A CA -0.292 51.757 52.037 0.020 0.000 1.134 659 A CB -0.299 18.712 19.000 0.018 0.000 1.129 659 A HN 0.719 nan 8.150 nan 0.000 0.539 660 E N 1.475 121.684 120.200 0.014 0.000 2.212 660 E HA 0.581 4.931 4.350 -0.000 0.000 0.268 660 E C 0.442 177.047 176.600 0.008 0.000 0.902 660 E CA -0.333 56.073 56.400 0.010 0.000 0.779 660 E CB 2.264 31.971 29.700 0.011 0.000 1.172 660 E HN 0.571 nan 8.360 nan 0.000 0.409 661 G N 0.161 108.965 108.800 0.006 0.000 3.008 661 G HA2 0.158 4.118 3.960 -0.000 0.000 0.181 661 G HA3 0.158 4.118 3.960 -0.000 0.000 0.181 661 G C 0.824 175.727 174.900 0.004 0.000 1.309 661 G CA 0.168 45.271 45.100 0.005 0.000 1.009 661 G HN 0.429 nan 8.290 nan 0.000 0.584 662 S N -1.590 114.113 115.700 0.004 0.000 2.453 662 S HA 0.019 4.489 4.470 -0.000 0.000 0.231 662 S C 0.424 175.027 174.600 0.004 0.000 1.005 662 S CA 1.544 59.747 58.200 0.004 0.000 0.949 662 S CB 0.151 63.353 63.200 0.003 0.000 0.774 662 S HN 0.371 nan 8.310 nan 0.000 0.510 663 D N 0.473 120.876 120.400 0.005 0.000 2.517 663 D HA 0.479 5.119 4.640 -0.000 0.000 0.263 663 D C 0.574 176.878 176.300 0.006 0.000 1.233 663 D CA 0.759 54.763 54.000 0.005 0.000 0.849 663 D CB 0.572 41.375 40.800 0.006 0.000 1.261 663 D HN 0.435 nan 8.370 nan 0.000 0.516 664 G N 3.118 111.921 108.800 0.005 0.000 2.553 664 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.242 664 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.242 664 G C -2.360 172.543 174.900 0.005 0.000 1.277 664 G CA -0.820 44.283 45.100 0.005 0.000 0.910 664 G HN 0.398 nan 8.290 nan 0.000 0.576 665 P HA 0.204 nan 4.420 nan 0.000 0.263 665 P C 0.680 177.983 177.300 0.004 0.000 1.175 665 P CA -0.181 62.921 63.100 0.004 0.000 0.761 665 P CB 0.305 32.006 31.700 0.001 0.000 0.794 666 L N 4.336 125.562 121.223 0.005 0.000 2.615 666 L HA -0.022 4.318 4.340 -0.000 0.000 0.271 666 L C 1.144 178.015 176.870 0.002 0.000 1.183 666 L CA 0.514 55.357 54.840 0.005 0.000 0.933 666 L CB -0.061 42.002 42.059 0.007 0.000 1.199 666 L HN 0.410 nan 8.230 nan 0.000 0.487 667 R N 3.089 123.589 120.500 0.001 0.000 2.615 667 R HA 0.363 4.703 4.340 -0.000 0.000 0.270 667 R C 0.176 176.474 176.300 -0.004 0.000 1.081 667 R CA -0.557 55.541 56.100 -0.002 0.000 1.154 667 R CB 0.600 30.899 30.300 -0.000 0.000 1.063 667 R HN 0.755 nan 8.270 nan 0.000 0.519 668 A N 1.084 123.897 122.820 -0.011 0.000 2.545 668 A HA 0.335 4.655 4.320 -0.000 0.000 0.253 668 A C 1.228 178.805 177.584 -0.011 0.000 1.074 668 A CA 0.870 52.899 52.037 -0.013 0.000 0.760 668 A CB -0.664 18.315 19.000 -0.035 0.000 1.005 668 A HN 0.927 nan 8.150 nan 0.000 0.506 669 G N 1.347 110.146 108.800 -0.002 0.000 2.175 669 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.244 669 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.244 669 G C 0.132 175.033 174.900 0.001 0.000 0.982 669 G CA 0.486 45.586 45.100 -0.000 0.000 0.641 669 G HN 1.027 nan 8.290 nan 0.000 0.527 670 E N 0.477 120.678 120.200 0.002 0.000 2.214 670 E HA 0.678 5.028 4.350 -0.000 0.000 0.274 670 E C -0.392 176.210 176.600 0.003 0.000 0.977 670 E CA -0.362 56.039 56.400 0.002 0.000 0.827 670 E CB 1.079 30.780 29.700 0.003 0.000 1.130 670 E HN 0.138 nan 8.360 nan 0.000 0.394 671 S N 0.754 116.456 115.700 0.003 0.000 2.566 671 S HA 0.844 5.314 4.470 -0.000 0.000 0.298 671 S C -1.228 173.374 174.600 0.002 0.000 1.083 671 S CA -0.614 57.588 58.200 0.003 0.000 0.978 671 S CB 1.803 65.004 63.200 0.002 0.000 1.073 671 S HN 0.642 nan 8.310 nan 0.000 0.491 672 A N 1.402 124.224 122.820 0.003 0.000 2.587 672 A HA 0.881 5.201 4.320 -0.000 0.000 0.293 672 A C -0.531 177.053 177.584 -0.000 0.000 1.087 672 A CA -0.833 51.205 52.037 0.001 0.000 0.692 672 A CB 1.399 20.401 19.000 0.003 0.000 1.291 672 A HN 0.810 nan 8.150 nan 0.000 0.407 673 T N -0.739 113.813 114.554 -0.004 0.000 2.887 673 T HA 0.742 5.092 4.350 -0.000 0.000 0.288 673 T C -0.621 174.071 174.700 -0.012 0.000 1.021 673 T CA -0.608 61.486 62.100 -0.009 0.000 1.000 673 T CB 1.518 70.379 68.868 -0.012 0.000 1.034 673 T HN 1.335 nan 8.240 nan 0.000 0.467 674 I N 1.629 122.187 120.570 -0.020 0.000 2.607 674 I HA 0.613 4.783 4.170 -0.000 0.000 0.290 674 I C -0.692 175.395 176.117 -0.051 0.000 1.129 674 I CA -0.930 60.354 61.300 -0.027 0.000 1.042 674 I CB 1.520 39.511 38.000 -0.014 0.000 1.242 674 I HN 1.090 nan 8.210 nan 0.000 0.421 675 A N 8.182 130.968 122.820 -0.057 0.000 2.409 675 A HA 0.548 4.868 4.320 -0.000 0.000 0.267 675 A C -0.392 177.118 177.584 -0.124 0.000 1.127 675 A CA -0.315 51.671 52.037 -0.084 0.000 0.795 675 A CB 0.264 19.223 19.000 -0.068 0.000 1.061 675 A HN 0.745 nan 8.150 nan 0.000 0.502 676 L N 3.181 124.286 121.223 -0.197 0.000 2.454 676 L HA 0.377 4.717 4.340 -0.000 0.000 0.256 676 L C -1.842 174.839 176.870 -0.315 0.000 1.136 676 L CA -2.116 52.519 54.840 -0.341 0.000 0.804 676 L CB 0.384 42.110 42.059 -0.554 0.000 1.181 676 L HN 0.428 nan 8.230 nan 0.000 0.469 677 P HA 0.004 nan 4.420 nan 0.000 0.270 677 P C -0.924 176.238 177.300 -0.231 0.000 1.221 677 P CA -0.285 62.669 63.100 -0.242 0.000 0.788 677 P CB 0.339 31.925 31.700 -0.190 0.000 0.904 678 A N 2.303 125.045 122.820 -0.130 0.000 2.477 678 A HA 0.348 4.668 4.320 -0.000 0.000 0.246 678 A C 0.105 177.632 177.584 -0.095 0.000 1.078 678 A CA 0.271 52.246 52.037 -0.103 0.000 0.770 678 A CB -0.623 18.339 19.000 -0.063 0.000 1.011 678 A HN 0.492 nan 8.150 nan 0.000 0.494 679 M N 4.663 124.209 119.600 -0.090 0.000 1.960 679 M HA 0.243 4.723 4.480 -0.000 0.000 0.271 679 M C -2.437 173.838 176.300 -0.042 0.000 0.862 679 M CA -1.303 53.965 55.300 -0.054 0.000 0.854 679 M CB 1.559 34.117 32.600 -0.069 0.000 1.575 679 M HN 0.535 nan 8.290 nan 0.000 0.375 680 P HA 0.323 nan 4.420 nan 0.000 0.271 680 P C -0.414 176.858 177.300 -0.047 0.000 1.218 680 P CA -0.264 62.811 63.100 -0.041 0.000 0.780 680 P CB 0.785 32.464 31.700 -0.035 0.000 0.901 681 A N 2.498 125.283 122.820 -0.059 0.000 2.462 681 A HA 0.449 4.769 4.320 -0.000 0.000 0.243 681 A C 0.749 178.272 177.584 -0.102 0.000 1.076 681 A CA -0.075 51.919 52.037 -0.071 0.000 0.773 681 A CB -0.435 18.523 19.000 -0.070 0.000 1.010 681 A HN 0.719 nan 8.150 nan 0.000 0.493 682 A N 3.701 126.424 122.820 -0.161 0.000 2.498 682 A HA 0.454 4.774 4.320 -0.000 0.000 0.239 682 A C -1.243 176.231 177.584 -0.182 0.000 1.068 682 A CA -0.690 51.168 52.037 -0.298 0.000 0.766 682 A CB -0.333 18.188 19.000 -0.798 0.000 1.003 682 A HN 0.639 nan 8.150 nan 0.000 0.497 683 P HA 0.011 nan 4.420 nan 0.000 0.219 683 P C -0.212 177.060 177.300 -0.046 0.000 1.150 683 P CA 1.012 64.067 63.100 -0.075 0.000 0.814 683 P CB 0.057 31.722 31.700 -0.058 0.000 0.787 684 L N -1.685 119.511 121.223 -0.046 0.000 2.342 684 L HA 0.643 4.983 4.340 -0.000 0.000 0.271 684 L C 0.938 177.894 176.870 0.143 0.000 1.008 684 L CA -0.559 54.304 54.840 0.038 0.000 0.818 684 L CB 1.421 43.516 42.059 0.060 0.000 1.296 684 L HN 0.122 nan 8.230 nan 0.000 0.427 685 G N 2.198 111.081 108.800 0.139 0.000 2.632 685 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.224 685 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.224 685 G C -0.771 174.235 174.900 0.177 0.000 1.341 685 G CA -0.595 44.608 45.100 0.171 0.000 0.880 685 G HN 0.628 nan 8.290 nan 0.000 0.566 686 E N -0.344 119.984 120.200 0.214 0.000 2.202 686 E HA 0.624 4.974 4.350 -0.000 0.000 0.272 686 E C -0.753 176.043 176.600 0.328 0.000 0.951 686 E CA -0.529 56.029 56.400 0.264 0.000 0.813 686 E CB 1.810 31.786 29.700 0.459 0.000 1.151 686 E HN 0.452 nan 8.360 nan 0.000 0.398 687 T N 1.828 116.473 114.554 0.150 0.000 2.847 687 T HA 0.345 4.695 4.350 -0.000 0.000 0.291 687 T C -1.270 173.398 174.700 -0.053 0.000 0.998 687 T CA -0.694 61.483 62.100 0.128 0.000 0.967 687 T CB 0.356 69.237 68.868 0.021 0.000 0.954 687 T HN 0.310 nan 8.240 nan 0.000 0.441 688 W N 3.016 124.399 121.300 0.138 0.000 2.600 688 W HA 0.637 5.297 4.660 -0.000 0.000 0.325 688 W C -0.696 175.887 176.519 0.107 0.000 1.034 688 W CA -0.949 56.465 57.345 0.115 0.000 1.226 688 W CB 1.253 30.786 29.460 0.122 0.000 1.379 688 W HN 0.416 nan 8.180 nan 0.000 0.466 689 L N 4.080 125.452 121.223 0.248 0.000 2.276 689 L HA 0.658 4.998 4.340 -0.000 0.000 0.286 689 L C -0.110 176.911 176.870 0.251 0.000 1.061 689 L CA 0.422 55.395 54.840 0.221 0.000 0.807 689 L CB 0.836 42.961 42.059 0.110 0.000 1.177 689 L HN 0.302 nan 8.230 nan 0.000 0.429 690 T N 4.584 119.282 114.554 0.239 0.000 2.807 690 T HA 0.645 4.995 4.350 -0.000 0.000 0.279 690 T C -0.824 173.991 174.700 0.192 0.000 0.993 690 T CA -0.438 61.775 62.100 0.188 0.000 0.970 690 T CB 1.603 70.553 68.868 0.137 0.000 0.950 690 T HN 0.351 nan 8.240 nan 0.000 0.441 691 V N 3.568 123.575 119.914 0.156 0.000 2.487 691 V HA 0.455 4.575 4.120 -0.000 0.000 0.298 691 V C -0.283 175.868 176.094 0.095 0.000 1.028 691 V CA -0.848 61.544 62.300 0.153 0.000 0.860 691 V CB 1.777 33.688 31.823 0.145 0.000 0.991 691 V HN 0.862 nan 8.190 nan 0.000 0.427 692 E N 2.870 123.114 120.200 0.073 0.000 2.199 692 E HA 0.715 5.065 4.350 -0.000 0.000 0.269 692 E C -0.562 176.052 176.600 0.023 0.000 0.899 692 E CA -0.833 55.587 56.400 0.032 0.000 0.772 692 E CB 2.453 32.156 29.700 0.006 0.000 1.155 692 E HN 0.764 nan 8.360 nan 0.000 0.408 693 A N 2.505 125.330 122.820 0.009 0.000 2.309 693 A HA 0.466 4.786 4.320 -0.000 0.000 0.290 693 A C 0.044 177.615 177.584 -0.022 0.000 1.206 693 A CA -0.496 51.543 52.037 0.003 0.000 0.850 693 A CB 0.086 19.089 19.000 0.005 0.000 1.118 693 A HN 0.413 nan 8.150 nan 0.000 0.523 694 V N 1.621 121.524 119.914 -0.018 0.000 2.914 694 V HA 0.684 4.804 4.120 -0.000 0.000 0.314 694 V C -0.303 175.784 176.094 -0.011 0.000 1.084 694 V CA -1.165 61.115 62.300 -0.033 0.000 0.963 694 V CB 1.501 33.299 31.823 -0.042 0.000 1.025 694 V HN 0.696 nan 8.190 nan 0.000 0.432 695 L N 3.584 124.809 121.223 0.003 0.000 2.410 695 L HA 0.402 4.742 4.340 -0.000 0.000 0.273 695 L C 1.847 178.699 176.870 -0.031 0.000 1.144 695 L CA -0.104 54.731 54.840 -0.009 0.000 0.863 695 L CB 0.498 42.543 42.059 -0.023 0.000 1.140 695 L HN 0.790 nan 8.230 nan 0.000 0.463 696 R N 1.151 121.630 120.500 -0.036 0.000 2.073 696 R HA -0.065 4.275 4.340 -0.000 0.000 0.234 696 R C -0.100 176.167 176.300 -0.054 0.000 1.134 696 R CA 1.016 57.092 56.100 -0.039 0.000 0.952 696 R CB -0.024 30.256 30.300 -0.034 0.000 0.850 696 R HN 0.668 nan 8.270 nan 0.000 0.433 697 D N -0.924 119.430 120.400 -0.076 0.000 2.374 697 D HA 0.367 5.007 4.640 -0.000 0.000 0.239 697 D C -0.728 175.484 176.300 -0.147 0.000 0.991 697 D CA -0.492 53.451 54.000 -0.095 0.000 0.960 697 D CB 1.479 42.225 40.800 -0.090 0.000 1.284 697 D HN 0.104 nan 8.370 nan 0.000 0.512 698 A N 0.448 123.176 122.820 -0.153 0.000 2.466 698 A HA 0.489 4.809 4.320 -0.000 0.000 0.238 698 A C 0.637 178.037 177.584 -0.306 0.000 1.074 698 A CA 0.110 52.016 52.037 -0.217 0.000 0.774 698 A CB 0.010 18.915 19.000 -0.160 0.000 1.015 698 A HN 0.591 nan 8.150 nan 0.000 0.498 699 T N -1.770 112.492 114.554 -0.487 0.000 2.807 699 T HA 0.587 4.937 4.350 -0.000 0.000 0.277 699 T C 1.297 175.720 174.700 -0.462 0.000 1.006 699 T CA 0.018 61.760 62.100 -0.597 0.000 1.006 699 T CB 1.045 69.176 68.868 -1.229 0.000 1.274 699 T HN 1.045 nan 8.240 nan 0.000 0.569 700 G N -0.466 108.130 108.800 -0.340 0.000 2.448 700 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.219 700 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.219 700 G C 1.048 175.924 174.900 -0.039 0.000 1.127 700 G CA 0.689 45.727 45.100 -0.104 0.000 0.766 700 G HN 0.885 nan 8.290 nan 0.000 0.552 701 W N -1.497 119.764 121.300 -0.065 0.000 2.870 701 W HA 0.736 5.396 4.660 -0.000 0.000 0.358 701 W C 0.006 176.446 176.519 -0.131 0.000 1.043 701 W CA -0.101 57.201 57.345 -0.073 0.000 1.692 701 W CB -0.224 29.195 29.460 -0.067 0.000 1.100 701 W HN 0.308 nan 8.180 nan 0.000 0.557 702 A N 2.283 124.863 122.820 -0.399 0.000 2.589 702 A HA 0.661 4.981 4.320 -0.000 0.000 0.296 702 A C -2.797 174.600 177.584 -0.312 0.000 1.062 702 A CA -1.201 50.607 52.037 -0.382 0.000 0.686 702 A CB 1.343 19.918 19.000 -0.709 0.000 1.282 702 A HN -0.188 nan 8.150 nan 0.000 0.404 703 P HA 0.425 nan 4.420 nan 0.000 0.274 703 P C 0.193 177.442 177.300 -0.086 0.000 1.246 703 P CA 0.106 63.149 63.100 -0.095 0.000 0.795 703 P CB 0.775 32.458 31.700 -0.028 0.000 1.006 704 A N 0.554 123.329 122.820 -0.076 0.000 2.531 704 A HA 0.391 4.711 4.320 -0.000 0.000 0.236 704 A C 1.467 179.037 177.584 -0.023 0.000 1.062 704 A CA 0.820 52.821 52.037 -0.059 0.000 0.760 704 A CB -1.575 17.392 19.000 -0.055 0.000 0.995 704 A HN 0.913 nan 8.150 nan 0.000 0.501 705 G N 0.478 109.268 108.800 -0.017 0.000 2.159 705 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.256 705 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.256 705 G C 0.234 175.138 174.900 0.008 0.000 0.977 705 G CA 0.767 45.861 45.100 -0.011 0.000 0.652 705 G HN 1.873 nan 8.290 nan 0.000 0.531 706 H N 2.680 121.715 119.070 -0.059 0.000 3.107 706 H HA 0.397 4.953 4.556 -0.000 0.000 0.301 706 H C -1.764 173.549 175.328 -0.024 0.000 0.981 706 H CA -0.086 55.937 56.048 -0.043 0.000 1.443 706 H CB 0.829 30.556 29.762 -0.059 0.000 1.479 706 H HN 0.255 nan 8.280 nan 0.000 0.564 707 P HA 0.005 nan 4.420 nan 0.000 0.279 707 P C 0.168 177.174 177.300 -0.491 0.000 1.239 707 P CA -0.079 62.791 63.100 -0.384 0.000 0.789 707 P CB 1.463 33.026 31.700 -0.228 0.000 0.933 708 L N 1.097 122.194 121.223 -0.210 0.000 2.357 708 L HA 0.414 4.754 4.340 -0.000 0.000 0.211 708 L C 1.311 178.132 176.870 -0.082 0.000 1.075 708 L CA 0.659 55.431 54.840 -0.114 0.000 0.830 708 L CB -0.169 41.875 42.059 -0.024 0.000 0.996 708 L HN 0.587 nan 8.230 nan 0.000 0.467 709 G N -0.751 108.012 108.800 -0.061 0.000 2.368 709 G HA2 0.621 4.581 3.960 -0.000 0.000 0.293 709 G HA3 0.621 4.581 3.960 -0.000 0.000 0.293 709 G C -2.139 172.758 174.900 -0.004 0.000 1.467 709 G CA 0.111 45.196 45.100 -0.025 0.000 0.804 709 G HN 0.106 nan 8.290 nan 0.000 0.535 710 A N -1.313 121.519 122.820 0.020 0.000 2.583 710 A HA 1.026 5.346 4.320 -0.000 0.000 0.289 710 A C -1.362 176.256 177.584 0.058 0.000 1.151 710 A CA -0.315 51.744 52.037 0.038 0.000 0.695 710 A CB 1.824 20.845 19.000 0.035 0.000 1.290 710 A HN 2.239 nan 8.150 nan 0.000 0.419 711 V N -0.419 119.540 119.914 0.074 0.000 3.087 711 V HA 0.643 4.763 4.120 -0.000 0.000 0.306 711 V C -1.475 174.691 176.094 0.120 0.000 1.187 711 V CA -0.341 62.014 62.300 0.092 0.000 0.999 711 V CB 2.192 34.063 31.823 0.080 0.000 1.049 711 V HN 1.041 nan 8.190 nan 0.000 0.431 712 Q N 2.507 122.401 119.800 0.156 0.000 2.458 712 Q HA 0.724 5.064 4.340 -0.000 0.000 0.282 712 Q C -1.935 174.202 176.000 0.228 0.000 1.106 712 Q CA -0.891 55.055 55.803 0.239 0.000 0.814 712 Q CB 2.903 31.849 28.738 0.347 0.000 1.425 712 Q HN 0.626 nan 8.270 nan 0.000 0.437 713 L N 1.146 122.494 121.223 0.208 0.000 2.464 713 L HA 0.392 4.732 4.340 -0.000 0.000 0.266 713 L C -1.592 175.159 176.870 -0.199 0.000 0.965 713 L CA -0.448 54.411 54.840 0.032 0.000 0.833 713 L CB 1.952 44.007 42.059 -0.007 0.000 1.296 713 L HN 0.474 nan 8.230 nan 0.000 0.405 714 D N 4.261 124.337 120.400 -0.540 0.000 2.317 714 D HA 0.281 4.921 4.640 -0.000 0.000 0.252 714 D C 0.192 176.167 176.300 -0.541 0.000 1.174 714 D CA 0.253 53.589 54.000 -1.107 0.000 0.866 714 D CB 0.930 41.016 40.800 -1.191 0.000 1.127 714 D HN 0.656 nan 8.370 nan 0.000 0.467 715 L N 2.275 123.218 121.223 -0.467 0.000 2.910 715 L HA 0.188 4.528 4.340 -0.000 0.000 0.252 715 L C 0.728 177.476 176.870 -0.204 0.000 1.195 715 L CA -0.297 54.396 54.840 -0.246 0.000 1.003 715 L CB 0.304 42.270 42.059 -0.156 0.000 1.328 715 L HN 0.167 nan 8.230 nan 0.000 0.540 716 S N 1.188 116.732 115.700 -0.261 0.000 2.573 716 S HA 0.350 4.820 4.470 -0.000 0.000 0.277 716 S C 0.756 175.305 174.600 -0.085 0.000 1.346 716 S CA -0.388 57.728 58.200 -0.139 0.000 1.034 716 S CB 0.982 64.119 63.200 -0.105 0.000 0.879 716 S HN 0.333 nan 8.310 nan 0.000 0.528 717 A N 3.413 126.204 122.820 -0.049 0.000 2.466 717 A HA 0.415 4.735 4.320 -0.000 0.000 0.238 717 A C -2.129 175.442 177.584 -0.021 0.000 1.074 717 A CA -1.101 50.914 52.037 -0.036 0.000 0.774 717 A CB -0.879 18.103 19.000 -0.030 0.000 1.015 717 A HN 0.566 nan 8.150 nan 0.000 0.498 718 P HA 0.244 nan 4.420 nan 0.000 0.265 718 P C -0.153 177.152 177.300 0.009 0.000 1.187 718 P CA 0.545 63.641 63.100 -0.006 0.000 0.766 718 P CB 0.363 32.059 31.700 -0.006 0.000 0.820 719 A N 3.147 125.979 122.820 0.020 0.000 2.477 719 A HA 0.245 4.564 4.320 -0.000 0.000 0.246 719 A C -0.012 177.590 177.584 0.030 0.000 1.078 719 A CA -0.214 51.845 52.037 0.035 0.000 0.770 719 A CB -0.063 18.966 19.000 0.049 0.000 1.011 719 A HN 0.391 nan 8.150 nan 0.000 0.494 720 V N 5.901 125.836 119.914 0.034 0.000 2.334 720 V HA 0.280 4.400 4.120 -0.000 0.000 0.267 720 V C -1.771 174.343 176.094 0.033 0.000 1.040 720 V CA -1.140 61.177 62.300 0.028 0.000 0.866 720 V CB 0.516 32.354 31.823 0.024 0.000 1.019 720 V HN 0.902 nan 8.190 nan 0.000 0.468 721 P HA 0.187 nan 4.420 nan 0.000 0.271 721 P C 0.245 177.562 177.300 0.029 0.000 1.220 721 P CA 0.039 63.159 63.100 0.033 0.000 0.768 721 P CB 0.713 32.431 31.700 0.030 0.000 0.848 722 T N 0.856 115.429 114.554 0.031 0.000 2.898 722 T HA 0.200 4.550 4.350 -0.000 0.000 0.301 722 T C 0.559 175.273 174.700 0.023 0.000 1.049 722 T CA -0.873 61.242 62.100 0.026 0.000 1.095 722 T CB 0.478 69.362 68.868 0.027 0.000 0.976 722 T HN 0.453 nan 8.240 nan 0.000 0.539 723 R N 2.625 123.136 120.500 0.019 0.000 2.235 723 R HA 0.407 4.747 4.340 -0.000 0.000 0.338 723 R C -0.490 175.821 176.300 0.018 0.000 1.087 723 R CA -0.530 55.580 56.100 0.017 0.000 0.948 723 R CB 0.165 30.474 30.300 0.015 0.000 1.099 723 R HN 0.481 nan 8.270 nan 0.000 0.483 724 S N 3.996 119.707 115.700 0.019 0.000 2.580 724 S HA 0.274 4.744 4.470 -0.000 0.000 0.274 724 S C -1.906 172.706 174.600 0.020 0.000 1.329 724 S CA -0.992 57.220 58.200 0.020 0.000 1.036 724 S CB 0.776 63.988 63.200 0.020 0.000 0.919 724 S HN 0.458 nan 8.310 nan 0.000 0.515 725 P HA 0.140 nan 4.420 nan 0.000 0.268 725 P C -0.224 177.090 177.300 0.023 0.000 1.205 725 P CA -0.349 62.766 63.100 0.025 0.000 0.771 725 P CB 0.385 32.104 31.700 0.031 0.000 0.858 726 R N 3.902 124.415 120.500 0.021 0.000 2.570 726 R HA 0.103 4.443 4.340 -0.000 0.000 0.277 726 R C -1.994 174.319 176.300 0.022 0.000 1.039 726 R CA -1.123 54.989 56.100 0.020 0.000 1.065 726 R CB -0.536 29.775 30.300 0.018 0.000 0.964 726 R HN 0.352 nan 8.270 nan 0.000 0.428 727 P HA -0.032 nan 4.420 nan 0.000 0.262 727 P C -1.395 175.918 177.300 0.022 0.000 1.182 727 P CA 0.386 63.500 63.100 0.023 0.000 0.761 727 P CB 0.971 32.684 31.700 0.021 0.000 0.795 728 A N 2.933 125.768 122.820 0.024 0.000 2.325 728 A HA 0.576 4.896 4.320 -0.000 0.000 0.333 728 A C -0.001 177.595 177.584 0.020 0.000 1.155 728 A CA -0.410 51.641 52.037 0.022 0.000 0.814 728 A CB 0.550 19.565 19.000 0.024 0.000 1.206 728 A HN 0.441 nan 8.150 nan 0.000 0.482 729 T N 4.587 119.151 114.554 0.017 0.000 2.851 729 T HA 0.432 4.782 4.350 -0.000 0.000 0.298 729 T C -2.251 172.457 174.700 0.013 0.000 0.977 729 T CA -0.438 61.671 62.100 0.015 0.000 1.126 729 T CB 0.413 69.288 68.868 0.013 0.000 0.916 729 T HN 0.553 nan 8.240 nan 0.000 0.529 730 P HA 0.239 nan 4.420 nan 0.000 0.271 730 P C -0.732 176.571 177.300 0.005 0.000 1.218 730 P CA -0.298 62.807 63.100 0.009 0.000 0.780 730 P CB 0.605 32.311 31.700 0.009 0.000 0.901 731 L N 1.727 122.950 121.223 0.001 0.000 2.334 731 L HA 0.428 4.768 4.340 -0.000 0.000 0.272 731 L C 0.762 177.630 176.870 -0.003 0.000 1.020 731 L CA -1.074 53.766 54.840 -0.001 0.000 0.812 731 L CB 0.709 42.767 42.059 -0.002 0.000 1.264 731 L HN 0.221 nan 8.230 nan 0.000 0.439 732 D N 0.778 121.177 120.400 -0.002 0.000 2.360 732 D HA 0.478 5.117 4.640 -0.000 0.000 0.242 732 D C 0.563 176.860 176.300 -0.006 0.000 1.184 732 D CA 0.905 54.903 54.000 -0.003 0.000 0.930 732 D CB 1.209 42.008 40.800 -0.001 0.000 1.161 732 D HN 0.800 nan 8.370 nan 0.000 0.447 733 G N -0.688 108.108 108.800 -0.007 0.000 2.660 733 G HA2 0.200 4.160 3.960 -0.000 0.000 0.247 733 G HA3 0.200 4.160 3.960 -0.000 0.000 0.247 733 G C -0.304 174.589 174.900 -0.012 0.000 1.328 733 G CA -0.294 44.801 45.100 -0.008 0.000 0.884 733 G HN 0.728 nan 8.290 nan 0.000 0.531 734 A N -0.426 122.387 122.820 -0.012 0.000 2.511 734 A HA 0.554 4.874 4.320 -0.000 0.000 0.242 734 A C 1.030 178.599 177.584 -0.026 0.000 1.069 734 A CA 0.418 52.447 52.037 -0.015 0.000 0.763 734 A CB -0.139 18.855 19.000 -0.009 0.000 1.001 734 A HN 1.314 nan 8.150 nan 0.000 0.498 735 L N 3.882 125.084 121.223 -0.035 0.000 2.452 735 L HA 0.292 4.632 4.340 -0.000 0.000 0.267 735 L C -1.470 175.365 176.870 -0.058 0.000 1.188 735 L CA -1.525 53.277 54.840 -0.063 0.000 0.821 735 L CB 0.120 42.131 42.059 -0.080 0.000 1.102 735 L HN 0.585 nan 8.230 nan 0.000 0.470 736 P HA 0.077 nan 4.420 nan 0.000 0.274 736 P C 0.274 177.567 177.300 -0.013 0.000 1.231 736 P CA -0.386 62.683 63.100 -0.051 0.000 0.790 736 P CB 1.677 33.335 31.700 -0.071 0.000 0.951 737 V N 0.506 120.446 119.914 0.043 0.000 2.788 737 V HA 0.026 4.146 4.120 -0.000 0.000 0.241 737 V C 0.919 177.103 176.094 0.150 0.000 1.083 737 V CA 1.213 63.571 62.300 0.096 0.000 1.103 737 V CB -0.131 31.723 31.823 0.052 0.000 0.800 737 V HN 0.545 nan 8.190 nan 0.000 0.476 738 S N 1.268 117.030 115.700 0.103 0.000 2.530 738 S HA 0.676 5.146 4.470 -0.000 0.000 0.322 738 S C -0.634 174.030 174.600 0.107 0.000 1.085 738 S CA -0.217 58.038 58.200 0.092 0.000 1.096 738 S CB 1.330 64.558 63.200 0.046 0.000 0.988 738 S HN 0.188 nan 8.310 nan 0.000 0.466 739 L N 3.475 124.789 121.223 0.151 0.000 2.433 739 L HA 0.517 4.857 4.340 -0.000 0.000 0.256 739 L C 1.070 178.012 176.870 0.120 0.000 1.063 739 L CA -0.429 54.499 54.840 0.148 0.000 0.922 739 L CB 0.350 42.546 42.059 0.228 0.000 1.238 739 L HN 0.999 nan 8.230 nan 0.000 0.466 740 G N 3.588 112.431 108.800 0.073 0.000 2.591 740 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.298 740 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.298 740 G C -1.366 173.550 174.900 0.025 0.000 1.195 740 G CA 0.242 45.371 45.100 0.048 0.000 0.989 740 G HN 0.509 nan 8.290 nan 0.000 0.551 741 P HA 0.351 nan 4.420 nan 0.000 0.233 741 P C 0.588 177.866 177.300 -0.037 0.000 1.167 741 P CA 1.726 64.814 63.100 -0.020 0.000 0.770 741 P CB -0.130 31.535 31.700 -0.058 0.000 0.837 742 A N -0.118 122.678 122.820 -0.040 0.000 2.301 742 A HA 0.581 4.901 4.320 -0.000 0.000 0.312 742 A C -0.054 177.369 177.584 -0.269 0.000 1.182 742 A CA -0.096 51.811 52.037 -0.215 0.000 0.826 742 A CB 0.518 19.334 19.000 -0.306 0.000 1.134 742 A HN -0.005 nan 8.150 nan 0.000 0.501 743 T N 1.910 116.214 114.554 -0.416 0.000 2.841 743 T HA 0.643 4.993 4.350 -0.000 0.000 0.283 743 T C -1.006 173.358 174.700 -0.560 0.000 1.000 743 T CA 0.054 61.976 62.100 -0.298 0.000 0.977 743 T CB 0.580 69.367 68.868 -0.135 0.000 0.979 743 T HN 0.359 nan 8.240 nan 0.000 0.446 744 F N 1.511 121.389 119.950 -0.120 0.000 2.508 744 F HA 0.442 4.970 4.527 0.000 0.000 0.325 744 F C 0.344 176.099 175.800 -0.074 0.000 1.090 744 F CA -1.045 56.878 58.000 -0.128 0.000 0.945 744 F CB 1.531 40.423 39.000 -0.181 0.000 1.156 744 F HN 0.408 nan 8.300 nan 0.000 0.463 745 D N 2.457 122.921 120.400 0.106 0.000 2.414 745 D HA 0.397 5.037 4.640 -0.000 0.000 0.232 745 D C 0.083 176.424 176.300 0.069 0.000 1.070 745 D CA -0.045 53.994 54.000 0.065 0.000 0.839 745 D CB 1.538 42.357 40.800 0.031 0.000 1.079 745 D HN 0.844 nan 8.370 nan 0.000 0.521 746 A N 3.179 126.029 122.820 0.051 0.000 2.640 746 A HA -0.063 4.257 4.320 -0.000 0.000 0.300 746 A C 1.480 179.081 177.584 0.028 0.000 1.499 746 A CA 1.810 53.864 52.037 0.028 0.000 0.759 746 A CB -2.010 17.002 19.000 0.019 0.000 1.048 746 A HN 1.615 nan 8.150 nan 0.000 0.450 747 G N -2.674 106.145 108.800 0.032 0.000 2.205 747 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.261 747 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.261 747 G C 0.423 175.409 174.900 0.143 0.000 0.980 747 G CA 0.936 46.032 45.100 -0.007 0.000 0.632 747 G HN 1.848 nan 8.290 nan 0.000 0.533 748 T N 1.650 116.307 114.554 0.172 0.000 2.771 748 T HA 0.529 4.879 4.350 -0.000 0.000 0.291 748 T C 0.287 175.072 174.700 0.141 0.000 0.954 748 T CA -0.355 61.841 62.100 0.159 0.000 1.045 748 T CB 1.854 70.767 68.868 0.075 0.000 0.917 748 T HN 0.562 nan 8.240 nan 0.000 0.484 749 L N 5.815 127.072 121.223 0.057 0.000 2.499 749 L HA 0.179 4.519 4.340 -0.000 0.000 0.273 749 L C 1.024 177.804 176.870 -0.151 0.000 1.195 749 L CA 0.637 55.288 54.840 -0.315 0.000 0.882 749 L CB 0.539 42.467 42.059 -0.218 0.000 1.133 749 L HN 0.592 nan 8.230 nan 0.000 0.483 750 V N 0.316 120.104 119.914 -0.210 0.000 3.539 750 V HA 0.484 4.604 4.120 -0.000 0.000 0.262 750 V C 0.340 176.396 176.094 -0.064 0.000 1.381 750 V CA 0.679 62.927 62.300 -0.087 0.000 1.060 750 V CB -0.260 31.527 31.823 -0.059 0.000 0.842 750 V HN 0.837 nan 8.190 nan 0.000 0.445 751 S N -0.181 115.450 115.700 -0.116 0.000 2.550 751 S HA 0.820 5.290 4.470 -0.000 0.000 0.270 751 S C -1.424 173.154 174.600 -0.036 0.000 1.145 751 S CA -0.668 57.513 58.200 -0.031 0.000 0.852 751 S CB 2.266 65.454 63.200 -0.019 0.000 1.119 751 S HN 0.278 nan 8.310 nan 0.000 0.465 752 L N 1.557 122.839 121.223 0.099 0.000 2.436 752 L HA 0.747 5.087 4.340 -0.000 0.000 0.268 752 L C 0.444 177.428 176.870 0.191 0.000 0.974 752 L CA -0.545 54.340 54.840 0.075 0.000 0.826 752 L CB 1.866 43.940 42.059 0.026 0.000 1.291 752 L HN 1.417 nan 8.230 nan 0.000 0.406 753 A N 2.720 125.576 122.820 0.061 0.000 2.511 753 A HA -0.023 4.297 4.320 -0.000 0.000 0.297 753 A C 1.315 179.089 177.584 0.317 0.000 1.476 753 A CA 1.217 53.315 52.037 0.101 0.000 0.757 753 A CB -1.776 17.133 19.000 -0.151 0.000 1.072 753 A HN 1.828 nan 8.150 nan 0.000 0.413 754 G N -2.340 106.570 108.800 0.183 0.000 2.159 754 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.256 754 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.256 754 G C -0.125 174.831 174.900 0.094 0.000 0.977 754 G CA 0.898 46.074 45.100 0.128 0.000 0.652 754 G HN 1.440 nan 8.290 nan 0.000 0.531 755 Q N 0.031 119.917 119.800 0.142 0.000 2.375 755 Q HA 0.470 4.810 4.340 -0.000 0.000 0.271 755 Q C -2.677 173.345 176.000 0.037 0.000 1.074 755 Q CA -1.988 53.812 55.803 -0.005 0.000 0.808 755 Q CB 2.791 31.374 28.738 -0.260 0.000 1.327 755 Q HN 0.251 nan 8.270 nan 0.000 0.441 756 P HA 0.167 nan 4.420 nan 0.000 0.271 756 P C -0.643 176.689 177.300 0.053 0.000 1.220 756 P CA -0.003 63.107 63.100 0.016 0.000 0.768 756 P CB 0.782 32.484 31.700 0.004 0.000 0.848 757 V N 2.742 122.706 119.914 0.083 0.000 2.932 757 V HA 0.339 4.459 4.120 -0.000 0.000 0.307 757 V C -0.133 176.032 176.094 0.119 0.000 1.147 757 V CA -0.455 61.930 62.300 0.142 0.000 0.951 757 V CB 2.438 34.406 31.823 0.242 0.000 1.031 757 V HN 0.496 nan 8.190 nan 0.000 0.426 758 S N 1.561 117.331 115.700 0.117 0.000 2.568 758 S HA 1.002 5.472 4.470 -0.000 0.000 0.302 758 S C 0.173 174.853 174.600 0.133 0.000 1.082 758 S CA 0.059 58.311 58.200 0.087 0.000 1.009 758 S CB 1.848 65.055 63.200 0.010 0.000 1.069 758 S HN 1.710 nan 8.310 nan 0.000 0.500 759 G N 2.029 110.864 108.800 0.059 0.000 2.347 759 G HA2 0.154 4.113 3.960 -0.000 0.000 0.341 759 G HA3 0.154 4.113 3.960 -0.000 0.000 0.341 759 G C -3.599 171.205 174.900 -0.160 0.000 1.287 759 G CA -1.006 43.999 45.100 -0.158 0.000 0.984 759 G HN 0.525 nan 8.290 nan 0.000 0.526 760 P HA 0.508 nan 4.420 nan 0.000 0.281 760 P C -0.800 176.270 177.300 -0.383 0.000 1.249 760 P CA -0.417 62.098 63.100 -0.974 0.000 0.810 760 P CB 1.522 32.478 31.700 -1.241 0.000 1.008 761 R N 2.223 122.511 120.500 -0.354 0.000 2.480 761 R HA 0.400 4.740 4.340 -0.000 0.000 0.306 761 R C -0.442 175.706 176.300 -0.254 0.000 0.958 761 R CA -1.100 54.925 56.100 -0.125 0.000 0.861 761 R CB 0.853 31.112 30.300 -0.069 0.000 1.171 761 R HN 0.409 nan 8.270 nan 0.000 0.445 762 L N 3.087 124.023 121.223 -0.477 0.000 2.485 762 L HA 0.141 4.481 4.340 -0.000 0.000 0.275 762 L C -0.640 175.941 176.870 -0.483 0.000 1.207 762 L CA 0.891 55.309 54.840 -0.703 0.000 0.855 762 L CB 0.654 41.912 42.059 -1.335 0.000 1.114 762 L HN 0.644 nan 8.230 nan 0.000 0.485 763 E N 3.354 123.363 120.200 -0.317 0.000 2.275 763 E HA 0.379 4.729 4.350 -0.000 0.000 0.270 763 E C -0.542 175.893 176.600 -0.275 0.000 0.882 763 E CA -0.316 55.971 56.400 -0.188 0.000 0.758 763 E CB 1.255 30.987 29.700 0.053 0.000 1.195 763 E HN 0.636 nan 8.360 nan 0.000 0.419 764 L N 2.506 123.523 121.223 -0.343 0.000 2.672 764 L HA 0.358 4.698 4.340 -0.000 0.000 0.236 764 L C 0.646 177.274 176.870 -0.403 0.000 1.092 764 L CA -0.373 54.147 54.840 -0.533 0.000 0.887 764 L CB 0.293 41.801 42.059 -0.919 0.000 1.168 764 L HN 0.422 nan 8.230 nan 0.000 0.502 765 W N 3.963 125.010 121.300 -0.421 0.000 2.218 765 W HA 0.324 4.984 4.660 -0.000 0.000 0.326 765 W C -0.103 176.199 176.519 -0.361 0.000 1.276 765 W CA -0.222 56.892 57.345 -0.386 0.000 1.210 765 W CB 0.899 30.227 29.460 -0.220 0.000 1.143 765 W HN 0.065 nan 8.180 nan 0.000 0.563 766 R N 4.062 123.902 120.500 -1.099 0.000 2.807 766 R HA 0.702 5.042 4.340 -0.000 0.000 0.276 766 R C -1.125 174.442 176.300 -1.220 0.000 0.979 766 R CA -0.883 54.667 56.100 -0.916 0.000 0.928 766 R CB 1.355 31.300 30.300 -0.592 0.000 1.191 766 R HN 0.421 nan 8.270 nan 0.000 0.471 767 A N 3.590 126.026 122.820 -0.640 0.000 2.476 767 A HA 0.278 4.598 4.320 -0.000 0.000 0.275 767 A C -2.092 175.305 177.584 -0.311 0.000 1.133 767 A CA -1.300 50.520 52.037 -0.362 0.000 0.797 767 A CB -0.484 18.451 19.000 -0.110 0.000 1.081 767 A HN 0.534 nan 8.150 nan 0.000 0.510 768 P HA 0.077 nan 4.420 nan 0.000 0.262 768 P C 0.743 177.968 177.300 -0.125 0.000 1.182 768 P CA 0.386 63.425 63.100 -0.101 0.000 0.761 768 P CB 0.478 32.165 31.700 -0.021 0.000 0.795 769 T N -0.510 113.959 114.554 -0.142 0.000 2.748 769 T HA 0.044 4.394 4.350 -0.000 0.000 0.304 769 T C 1.006 175.579 174.700 -0.211 0.000 1.041 769 T CA -0.312 61.654 62.100 -0.223 0.000 1.033 769 T CB 0.381 69.088 68.868 -0.268 0.000 0.995 769 T HN 0.289 nan 8.240 nan 0.000 0.536 770 D N 0.960 121.199 120.400 -0.269 0.000 2.149 770 D HA -0.131 4.509 4.640 -0.000 0.000 0.198 770 D C 1.926 178.107 176.300 -0.199 0.000 0.990 770 D CA 1.140 54.982 54.000 -0.263 0.000 0.839 770 D CB -0.254 40.337 40.800 -0.348 0.000 0.948 770 D HN 0.520 nan 8.370 nan 0.000 0.460 771 N N 1.295 119.882 118.700 -0.187 0.000 2.166 771 N HA -0.127 4.613 4.740 -0.000 0.000 0.186 771 N C 1.212 176.640 175.510 -0.137 0.000 1.019 771 N CA 0.820 53.785 53.050 -0.142 0.000 0.856 771 N CB -0.341 38.064 38.487 -0.137 0.000 0.993 771 N HN 0.225 nan 8.380 nan 0.000 0.426 772 D N 0.535 120.848 120.400 -0.145 0.000 2.265 772 D HA -0.100 4.540 4.640 -0.000 0.000 0.208 772 D C 1.401 177.549 176.300 -0.253 0.000 0.977 772 D CA 0.772 54.645 54.000 -0.213 0.000 0.871 772 D CB -0.038 40.676 40.800 -0.143 0.000 0.925 772 D HN 0.332 nan 8.370 nan 0.000 0.485 773 R N -0.109 120.292 120.500 -0.164 0.000 2.334 773 R HA 0.247 4.587 4.340 -0.000 0.000 0.216 773 R C 1.146 177.399 176.300 -0.078 0.000 0.905 773 R CA -0.067 55.962 56.100 -0.118 0.000 1.064 773 R CB 0.803 31.054 30.300 -0.082 0.000 1.046 773 R HN -0.060 nan 8.270 nan 0.000 0.508 774 G N -0.220 108.530 108.800 -0.084 0.000 2.444 774 G HA2 0.430 4.390 3.960 -0.000 0.000 0.268 774 G HA3 0.430 4.390 3.960 -0.000 0.000 0.268 774 G C 0.079 174.937 174.900 -0.070 0.000 1.203 774 G CA -0.222 44.852 45.100 -0.045 0.000 0.835 774 G HN 0.225 nan 8.290 nan 0.000 0.543 775 A N 1.139 123.925 122.820 -0.055 0.000 2.630 775 A HA 0.552 4.872 4.320 -0.000 0.000 0.287 775 A C 1.708 179.263 177.584 -0.048 0.000 1.040 775 A CA 0.895 52.896 52.037 -0.061 0.000 0.971 775 A CB 0.081 19.041 19.000 -0.068 0.000 1.241 775 A HN 0.968 nan 8.150 nan 0.000 0.558 776 G N 0.422 109.201 108.800 -0.035 0.000 2.575 776 G HA2 0.065 4.025 3.960 -0.000 0.000 0.215 776 G HA3 0.065 4.025 3.960 -0.000 0.000 0.215 776 G C 0.624 175.543 174.900 0.032 0.000 1.262 776 G CA 0.505 45.594 45.100 -0.017 0.000 0.807 776 G HN 0.359 nan 8.290 nan 0.000 0.567 777 F N 1.303 121.173 119.950 -0.134 0.000 2.535 777 F HA 0.397 4.924 4.527 -0.000 0.000 0.332 777 F C 1.607 177.313 175.800 -0.157 0.000 1.208 777 F CA -0.066 57.852 58.000 -0.137 0.000 1.330 777 F CB 0.578 39.480 39.000 -0.163 0.000 1.167 777 F HN 0.291 nan 8.300 nan 0.000 0.597 778 G N 0.351 109.144 108.800 -0.012 0.000 2.621 778 G HA2 0.477 4.437 3.960 -0.000 0.000 0.271 778 G HA3 0.477 4.437 3.960 -0.000 0.000 0.271 778 G C -1.034 173.796 174.900 -0.117 0.000 1.236 778 G CA -0.385 44.678 45.100 -0.063 0.000 0.958 778 G HN 0.859 nan 8.290 nan 0.000 0.512 779 A N -1.191 121.571 122.820 -0.096 0.000 2.302 779 A HA 0.544 4.864 4.320 -0.000 0.000 0.285 779 A C 0.274 177.823 177.584 -0.058 0.000 1.105 779 A CA -0.540 51.441 52.037 -0.093 0.000 0.816 779 A CB 0.529 19.508 19.000 -0.036 0.000 1.067 779 A HN 0.765 nan 8.150 nan 0.000 0.489 780 Y N 1.316 121.633 120.300 0.028 0.000 2.517 780 Y HA 0.018 4.568 4.550 -0.000 0.000 0.281 780 Y C 2.371 178.240 175.900 -0.051 0.000 1.125 780 Y CA 0.313 58.401 58.100 -0.021 0.000 1.283 780 Y CB 0.196 38.618 38.460 -0.063 0.000 1.042 780 Y HN 0.883 nan 8.280 nan 0.000 0.547 781 G N 1.874 110.744 108.800 0.118 0.000 2.514 781 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 781 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 781 G C -0.594 174.322 174.900 0.026 0.000 1.198 781 G CA 0.781 45.910 45.100 0.048 0.000 0.780 781 G HN 0.299 nan 8.290 nan 0.000 0.565 782 P HA 0.251 nan 4.420 nan 0.000 0.239 782 P C 0.453 177.767 177.300 0.023 0.000 1.184 782 P CA 1.076 64.188 63.100 0.020 0.000 0.760 782 P CB 0.250 31.961 31.700 0.018 0.000 0.884 783 G N -1.088 107.732 108.800 0.034 0.000 2.660 783 G HA2 0.241 4.201 3.960 -0.000 0.000 0.290 783 G HA3 0.241 4.201 3.960 -0.000 0.000 0.290 783 G C -1.884 173.030 174.900 0.023 0.000 1.432 783 G CA -0.472 44.648 45.100 0.033 0.000 0.807 783 G HN -0.185 nan 8.290 nan 0.000 0.485 784 D N 0.955 121.372 120.400 0.028 0.000 2.472 784 D HA 0.118 4.758 4.640 -0.000 0.000 0.248 784 D C -0.685 175.638 176.300 0.039 0.000 1.174 784 D CA -1.499 52.519 54.000 0.031 0.000 0.883 784 D CB 1.706 42.550 40.800 0.073 0.000 1.149 784 D HN 0.050 nan 8.370 nan 0.000 0.488 785 P HA -0.100 nan 4.420 nan 0.000 0.225 785 P C 0.987 178.227 177.300 -0.099 0.000 1.148 785 P CA 0.760 63.679 63.100 -0.301 0.000 0.779 785 P CB -0.013 31.004 31.700 -1.138 0.000 0.780 786 W N -0.667 120.635 121.300 0.004 0.000 2.905 786 W HA 0.086 4.746 4.660 -0.000 0.000 0.251 786 W C 0.816 177.387 176.519 0.087 0.000 1.305 786 W CA -0.282 57.119 57.345 0.094 0.000 1.465 786 W CB -0.515 28.996 29.460 0.085 0.000 1.122 786 W HN -0.157 nan 8.180 nan 0.000 0.659 787 L N 0.860 122.227 121.223 0.239 0.000 2.475 787 L HA 0.038 4.378 4.340 -0.000 0.000 0.253 787 L C 1.532 178.483 176.870 0.136 0.000 1.198 787 L CA -0.097 54.842 54.840 0.164 0.000 0.814 787 L CB -0.369 41.761 42.059 0.118 0.000 1.134 787 L HN 0.212 nan 8.230 nan 0.000 0.478 788 N N 0.361 119.120 118.700 0.097 0.000 2.721 788 N HA -0.277 4.463 4.740 -0.000 0.000 0.249 788 N C -0.210 175.338 175.510 0.063 0.000 1.072 788 N CA 0.579 53.667 53.050 0.064 0.000 0.710 788 N CB -0.293 38.224 38.487 0.050 0.000 0.993 788 N HN 0.710 nan 8.380 nan 0.000 0.547 789 S N -2.374 113.377 115.700 0.086 0.000 3.561 789 S HA -0.186 4.284 4.470 -0.000 0.000 0.318 789 S C 1.113 175.781 174.600 0.113 0.000 1.181 789 S CA 1.656 59.906 58.200 0.083 0.000 0.916 789 S CB -1.924 61.300 63.200 0.040 0.000 0.966 789 S HN 1.526 nan 8.310 nan 0.000 0.550 790 G N 0.416 109.309 108.800 0.156 0.000 2.179 790 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.257 790 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.257 790 G C 0.453 175.606 174.900 0.422 0.000 1.010 790 G CA 0.721 45.993 45.100 0.285 0.000 0.736 790 G HN 0.672 nan 8.290 nan 0.000 0.513 791 R N 0.124 120.729 120.500 0.176 0.000 2.310 791 R HA 0.423 4.763 4.340 -0.000 0.000 0.202 791 R C 1.848 178.138 176.300 -0.016 0.000 0.933 791 R CA 0.762 56.825 56.100 -0.062 0.000 1.054 791 R CB -0.006 30.131 30.300 -0.270 0.000 0.985 791 R HN 1.432 nan 8.270 nan 0.000 0.489 792 G N 0.316 109.188 108.800 0.121 0.000 2.698 792 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.233 792 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.233 792 G C -0.632 174.283 174.900 0.025 0.000 1.352 792 G CA -0.550 44.581 45.100 0.053 0.000 0.879 792 G HN 0.053 nan 8.290 nan 0.000 0.567 793 V N 2.099 122.017 119.914 0.008 0.000 2.384 793 V HA 0.501 4.621 4.120 -0.000 0.000 0.287 793 V C -1.795 174.283 176.094 -0.027 0.000 1.020 793 V CA -1.124 61.175 62.300 -0.002 0.000 0.850 793 V CB 1.780 33.612 31.823 0.015 0.000 0.987 793 V HN 0.674 nan 8.190 nan 0.000 0.436 794 P HA 0.281 nan 4.420 nan 0.000 0.261 794 P C -0.397 176.881 177.300 -0.038 0.000 1.173 794 P CA 0.655 63.727 63.100 -0.046 0.000 0.760 794 P CB 0.470 32.142 31.700 -0.046 0.000 0.783 795 A N 3.970 126.763 122.820 -0.045 0.000 2.597 795 A HA 0.645 4.965 4.320 -0.000 0.000 0.292 795 A C -2.872 174.679 177.584 -0.056 0.000 1.057 795 A CA -1.151 50.859 52.037 -0.044 0.000 0.674 795 A CB 0.087 19.062 19.000 -0.042 0.000 1.278 795 A HN 0.281 nan 8.150 nan 0.000 0.416 796 P HA 0.328 nan 4.420 nan 0.000 0.271 796 P C 0.441 177.677 177.300 -0.106 0.000 1.244 796 P CA 0.012 63.070 63.100 -0.069 0.000 0.793 796 P CB 0.338 32.003 31.700 -0.057 0.000 0.984 797 S N -0.638 114.989 115.700 -0.122 0.000 2.576 797 S HA 0.045 4.515 4.470 -0.000 0.000 0.272 797 S C 1.313 175.724 174.600 -0.314 0.000 1.352 797 S CA -0.024 58.065 58.200 -0.185 0.000 1.021 797 S CB 0.086 63.191 63.200 -0.160 0.000 0.887 797 S HN 0.340 nan 8.310 nan 0.000 0.542 798 S N 0.675 116.080 115.700 -0.491 0.000 2.370 798 S HA -0.171 4.299 4.470 -0.000 0.000 0.226 798 S C 1.825 175.682 174.600 -1.238 0.000 1.033 798 S CA 1.450 59.056 58.200 -0.990 0.000 1.011 798 S CB -0.650 61.785 63.200 -1.275 0.000 0.852 798 S HN 0.901 nan 8.310 nan 0.000 0.457 799 E N 1.264 121.018 120.200 -0.745 0.000 2.085 799 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 799 E C 2.141 178.726 176.600 -0.025 0.000 0.994 799 E CA 1.117 57.368 56.400 -0.247 0.000 0.801 799 E CB -0.272 29.395 29.700 -0.054 0.000 0.743 799 E HN 0.470 nan 8.360 nan 0.000 0.453 800 A N 1.205 123.971 122.820 -0.089 0.000 1.883 800 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 800 A C 2.490 180.094 177.584 0.033 0.000 1.186 800 A CA 2.191 54.223 52.037 -0.008 0.000 0.624 800 A CB -1.079 17.900 19.000 -0.035 0.000 0.822 800 A HN 0.359 nan 8.150 nan 0.000 0.444 801 V N -4.156 115.736 119.914 -0.036 0.000 2.427 801 V HA -0.170 3.950 4.120 -0.000 0.000 0.248 801 V C 2.180 178.435 176.094 0.269 0.000 1.051 801 V CA 1.432 63.771 62.300 0.064 0.000 1.048 801 V CB -1.208 30.623 31.823 0.013 0.000 0.666 801 V HN 0.637 nan 8.190 nan 0.000 0.456 802 W N 0.947 122.355 121.300 0.179 0.000 2.358 802 W HA 0.048 4.708 4.660 -0.000 0.000 0.303 802 W C 2.604 179.283 176.519 0.266 0.000 1.208 802 W CA 1.311 58.816 57.345 0.267 0.000 1.274 802 W CB -0.945 28.716 29.460 0.335 0.000 1.138 802 W HN 0.251 nan 8.180 nan 0.000 0.515 803 K N 0.336 121.005 120.400 0.448 0.000 2.057 803 K HA -0.167 4.153 4.320 -0.000 0.000 0.206 803 K C 1.901 178.594 176.600 0.155 0.000 1.050 803 K CA 1.193 57.620 56.287 0.234 0.000 0.935 803 K CB -0.827 31.782 32.500 0.181 0.000 0.715 803 K HN 0.309 nan 8.250 nan 0.000 0.439 804 Q N 0.454 120.351 119.800 0.161 0.000 2.135 804 Q HA -0.111 4.229 4.340 -0.000 0.000 0.204 804 Q C 1.674 177.764 176.000 0.151 0.000 0.981 804 Q CA 1.656 57.534 55.803 0.126 0.000 0.856 804 Q CB -0.051 28.754 28.738 0.111 0.000 0.902 804 Q HN 0.287 nan 8.270 nan 0.000 0.425 805 A N -0.445 122.512 122.820 0.228 0.000 2.206 805 A HA 0.201 4.521 4.320 -0.000 0.000 0.211 805 A C 1.490 179.218 177.584 0.239 0.000 1.158 805 A CA 0.900 53.103 52.037 0.276 0.000 0.761 805 A CB -0.543 18.714 19.000 0.428 0.000 0.801 805 A HN 0.655 nan 8.150 nan 0.000 0.473 806 G N -0.837 108.061 108.800 0.163 0.000 2.160 806 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.251 806 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.251 806 G C 0.732 175.666 174.900 0.056 0.000 1.008 806 G CA 0.471 45.617 45.100 0.077 0.000 0.724 806 G HN 0.454 nan 8.290 nan 0.000 0.514 807 L N 0.587 121.883 121.223 0.122 0.000 2.265 807 L HA -0.026 4.314 4.340 -0.000 0.000 0.215 807 L C 2.615 179.443 176.870 -0.070 0.000 1.117 807 L CA 1.716 56.602 54.840 0.076 0.000 0.782 807 L CB -0.339 41.803 42.059 0.139 0.000 0.914 807 L HN 0.542 nan 8.230 nan 0.000 0.441 808 D N 0.965 121.104 120.400 -0.435 0.000 2.363 808 D HA -0.161 4.479 4.640 -0.000 0.000 0.220 808 D C 1.091 177.073 176.300 -0.531 0.000 0.994 808 D CA 0.344 53.703 54.000 -1.069 0.000 0.890 808 D CB 0.015 39.717 40.800 -1.830 0.000 0.906 808 D HN 0.480 nan 8.370 nan 0.000 0.530 809 R N 0.499 120.839 120.500 -0.267 0.000 2.772 809 R HA 0.367 4.707 4.340 -0.000 0.000 0.358 809 R C -0.212 176.059 176.300 -0.048 0.000 1.143 809 R CA -0.585 55.427 56.100 -0.147 0.000 1.153 809 R CB -0.395 29.829 30.300 -0.126 0.000 1.329 809 R HN -0.046 nan 8.270 nan 0.000 0.615 810 L N 1.960 123.174 121.223 -0.016 0.000 2.456 810 L HA 0.169 4.509 4.340 -0.000 0.000 0.272 810 L C 0.738 177.658 176.870 0.084 0.000 1.189 810 L CA 0.199 55.084 54.840 0.075 0.000 0.846 810 L CB 0.867 42.998 42.059 0.121 0.000 1.111 810 L HN 0.365 nan 8.230 nan 0.000 0.475 811 T N 0.768 115.362 114.554 0.067 0.000 2.895 811 T HA 0.448 4.798 4.350 -0.000 0.000 0.283 811 T C -0.299 174.319 174.700 -0.137 0.000 1.014 811 T CA -0.995 61.099 62.100 -0.011 0.000 1.037 811 T CB 1.877 70.727 68.868 -0.030 0.000 1.006 811 T HN 0.606 nan 8.240 nan 0.000 0.468 812 R N 1.653 121.993 120.500 -0.266 0.000 2.255 812 R HA 0.498 4.838 4.340 -0.000 0.000 0.326 812 R C -0.429 175.655 176.300 -0.359 0.000 0.986 812 R CA -0.809 54.909 56.100 -0.637 0.000 0.847 812 R CB 0.835 30.829 30.300 -0.510 0.000 1.111 812 R HN 0.784 nan 8.270 nan 0.000 0.452 813 R N 4.178 124.468 120.500 -0.351 0.000 2.393 813 R HA 0.290 4.630 4.340 -0.000 0.000 0.315 813 R C -1.234 174.978 176.300 -0.147 0.000 0.952 813 R CA -0.638 55.354 56.100 -0.181 0.000 0.842 813 R CB 1.654 31.885 30.300 -0.115 0.000 1.163 813 R HN 0.388 nan 8.270 nan 0.000 0.450 814 V N 5.256 125.115 119.914 -0.092 0.000 2.455 814 V HA 0.061 4.181 4.120 -0.000 0.000 0.273 814 V C 0.889 176.967 176.094 -0.028 0.000 1.045 814 V CA 0.133 62.403 62.300 -0.049 0.000 0.976 814 V CB 1.257 33.065 31.823 -0.026 0.000 0.993 814 V HN 0.940 nan 8.190 nan 0.000 0.475 815 E N 2.875 123.067 120.200 -0.013 0.000 2.075 815 E HA 0.056 4.406 4.350 -0.000 0.000 0.190 815 E C -0.188 176.415 176.600 0.004 0.000 0.969 815 E CA 1.131 57.530 56.400 -0.001 0.000 0.815 815 E CB 0.346 30.053 29.700 0.012 0.000 0.776 815 E HN 1.030 nan 8.360 nan 0.000 0.457 816 D N -1.814 118.592 120.400 0.010 0.000 2.653 816 D HA 0.386 5.026 4.640 -0.000 0.000 0.258 816 D C -1.296 175.012 176.300 0.014 0.000 1.252 816 D CA -0.771 53.235 54.000 0.010 0.000 0.777 816 D CB 1.598 42.405 40.800 0.011 0.000 1.339 816 D HN -0.164 nan 8.370 nan 0.000 0.422 817 V N -0.581 119.336 119.914 0.005 0.000 2.733 817 V HA 0.912 5.032 4.120 -0.000 0.000 0.306 817 V C -0.854 175.232 176.094 -0.014 0.000 1.084 817 V CA -0.486 61.812 62.300 -0.004 0.000 0.905 817 V CB 1.267 33.082 31.823 -0.013 0.000 1.010 817 V HN 1.128 nan 8.190 nan 0.000 0.424 818 A N 3.054 125.862 122.820 -0.019 0.000 2.520 818 A HA 0.962 5.282 4.320 -0.000 0.000 0.298 818 A C -0.213 177.349 177.584 -0.036 0.000 1.051 818 A CA -0.143 51.882 52.037 -0.020 0.000 0.690 818 A CB 1.693 20.691 19.000 -0.004 0.000 1.281 818 A HN 1.678 nan 8.150 nan 0.000 0.402 819 A N 1.311 124.108 122.820 -0.039 0.000 2.445 819 A HA 0.619 4.938 4.320 -0.000 0.000 0.242 819 A C -0.098 177.474 177.584 -0.020 0.000 1.075 819 A CA 0.224 52.235 52.037 -0.043 0.000 0.777 819 A CB -0.153 18.826 19.000 -0.036 0.000 1.013 819 A HN 0.907 nan 8.150 nan 0.000 0.493 820 L N 1.435 122.648 121.223 -0.016 0.000 2.286 820 L HA 0.453 4.793 4.340 -0.000 0.000 0.265 820 L C -2.338 174.534 176.870 0.003 0.000 1.012 820 L CA -2.452 52.389 54.840 0.003 0.000 0.818 820 L CB 1.708 43.778 42.059 0.018 0.000 1.337 820 L HN 0.374 nan 8.230 nan 0.000 0.438 821 P HA 0.024 nan 4.420 nan 0.000 0.261 821 P C -0.943 176.368 177.300 0.018 0.000 1.203 821 P CA 0.208 63.315 63.100 0.012 0.000 0.767 821 P CB 0.066 31.774 31.700 0.014 0.000 0.785 822 D N 1.907 122.317 120.400 0.016 0.000 2.686 822 D HA -0.163 4.477 4.640 -0.000 0.000 0.235 822 D C 0.782 177.105 176.300 0.037 0.000 1.160 822 D CA 1.982 55.997 54.000 0.025 0.000 0.645 822 D CB -1.263 39.556 40.800 0.032 0.000 1.039 822 D HN 0.644 nan 8.370 nan 0.000 0.423 823 G N -1.323 107.487 108.800 0.017 0.000 2.428 823 G HA2 0.596 4.556 3.960 -0.000 0.000 0.305 823 G HA3 0.596 4.556 3.960 -0.000 0.000 0.305 823 G C -1.555 173.316 174.900 -0.049 0.000 1.260 823 G CA -0.419 44.693 45.100 0.020 0.000 0.853 823 G HN 0.316 nan 8.290 nan 0.000 0.480 824 I N -0.305 120.240 120.570 -0.042 0.000 2.775 824 I HA 0.695 4.865 4.170 -0.000 0.000 0.295 824 I C -0.967 175.175 176.117 0.042 0.000 1.287 824 I CA -0.998 60.236 61.300 -0.111 0.000 1.029 824 I CB 2.221 39.970 38.000 -0.419 0.000 1.282 824 I HN 0.611 nan 8.210 nan 0.000 0.426 825 R N 6.431 126.949 120.500 0.030 0.000 2.494 825 R HA 0.764 5.104 4.340 -0.000 0.000 0.305 825 R C -2.064 174.278 176.300 0.070 0.000 0.959 825 R CA -0.519 55.630 56.100 0.082 0.000 0.864 825 R CB 1.917 32.249 30.300 0.054 0.000 1.159 825 R HN 0.476 nan 8.270 nan 0.000 0.446 826 V N 5.294 125.282 119.914 0.123 0.000 2.487 826 V HA 0.507 4.627 4.120 -0.000 0.000 0.298 826 V C -0.276 175.875 176.094 0.096 0.000 1.028 826 V CA -0.805 61.559 62.300 0.106 0.000 0.860 826 V CB 1.756 33.675 31.823 0.160 0.000 0.991 826 V HN 0.746 nan 8.190 nan 0.000 0.427 827 R N 2.763 123.303 120.500 0.067 0.000 2.437 827 R HA 0.757 5.097 4.340 -0.000 0.000 0.310 827 R C -0.353 175.977 176.300 0.051 0.000 0.955 827 R CA -0.440 55.698 56.100 0.064 0.000 0.851 827 R CB 2.269 32.599 30.300 0.050 0.000 1.161 827 R HN 0.887 nan 8.270 nan 0.000 0.446 828 T N -0.332 114.262 114.554 0.066 0.000 2.887 828 T HA 0.675 5.025 4.350 -0.000 0.000 0.292 828 T C -0.723 174.004 174.700 0.045 0.000 1.087 828 T CA -1.122 60.987 62.100 0.015 0.000 1.009 828 T CB 2.300 71.161 68.868 -0.011 0.000 1.203 828 T HN 0.519 nan 8.240 nan 0.000 0.518 829 R N -0.098 120.367 120.500 -0.058 0.000 2.564 829 R HA 0.596 4.936 4.340 -0.000 0.000 0.284 829 R C -2.285 173.951 176.300 -0.106 0.000 1.031 829 R CA -0.669 55.447 56.100 0.027 0.000 0.904 829 R CB 1.174 31.494 30.300 0.034 0.000 1.199 829 R HN 0.796 nan 8.270 nan 0.000 0.443 830 Y N 2.302 122.637 120.300 0.057 0.000 2.393 830 Y HA 0.841 5.391 4.550 -0.000 0.000 0.341 830 Y C -0.066 175.898 175.900 0.107 0.000 0.988 830 Y CA -0.298 57.831 58.100 0.050 0.000 1.078 830 Y CB 2.663 41.128 38.460 0.008 0.000 1.203 830 Y HN 0.826 nan 8.280 nan 0.000 0.453 831 A N 1.422 124.372 122.820 0.217 0.000 2.594 831 A HA 0.780 5.099 4.320 -0.000 0.000 0.296 831 A C -1.568 176.096 177.584 0.133 0.000 1.056 831 A CA -0.484 51.673 52.037 0.200 0.000 0.693 831 A CB 0.344 19.421 19.000 0.128 0.000 1.278 831 A HN 0.907 nan 8.150 nan 0.000 0.408 832 A N 0.849 123.752 122.820 0.139 0.000 2.322 832 A HA 0.745 5.065 4.320 -0.000 0.000 0.269 832 A C 0.841 178.448 177.584 0.038 0.000 1.094 832 A CA 0.227 52.312 52.037 0.081 0.000 0.807 832 A CB 0.148 19.207 19.000 0.098 0.000 1.047 832 A HN 2.552 nan 8.150 nan 0.000 0.487 833 A N 1.236 124.065 122.820 0.015 0.000 2.565 833 A HA 0.372 4.692 4.320 -0.000 0.000 0.237 833 A C 0.797 178.379 177.584 -0.003 0.000 1.053 833 A CA 1.163 53.200 52.037 -0.001 0.000 0.755 833 A CB -0.450 18.546 19.000 -0.008 0.000 0.980 833 A HN 1.532 nan 8.150 nan 0.000 0.506 834 D N -0.470 119.920 120.400 -0.016 0.000 3.090 834 D HA -0.153 4.487 4.640 -0.000 0.000 0.215 834 D C 0.105 176.379 176.300 -0.044 0.000 1.140 834 D CA 1.744 55.728 54.000 -0.026 0.000 0.937 834 D CB -1.215 39.575 40.800 -0.017 0.000 1.108 834 D HN 0.783 nan 8.370 nan 0.000 0.420 835 S N -1.700 113.969 115.700 -0.051 0.000 2.537 835 S HA 0.601 5.071 4.470 -0.000 0.000 0.301 835 S C 1.256 175.743 174.600 -0.188 0.000 1.092 835 S CA 0.268 58.403 58.200 -0.108 0.000 1.048 835 S CB 1.551 64.730 63.200 -0.035 0.000 1.053 835 S HN 0.281 nan 8.310 nan 0.000 0.501 836 T N 0.667 114.987 114.554 -0.390 0.000 3.086 836 T HA 0.269 4.619 4.350 -0.000 0.000 0.250 836 T C 0.341 174.761 174.700 -0.466 0.000 1.074 836 T CA 0.116 61.975 62.100 -0.401 0.000 0.988 836 T CB -0.345 68.260 68.868 -0.438 0.000 0.988 836 T HN 0.649 nan 8.240 nan 0.000 0.530 837 H N 1.937 120.839 119.070 -0.281 0.000 2.502 837 H HA 0.745 5.301 4.556 0.000 0.000 0.338 837 H C 0.175 175.446 175.328 -0.094 0.000 1.155 837 H CA -0.509 55.266 56.048 -0.455 0.000 1.237 837 H CB 1.814 30.769 29.762 -1.345 0.000 1.534 837 H HN 0.441 nan 8.280 nan 0.000 0.523 838 S N 0.114 116.008 115.700 0.324 0.000 2.656 838 S HA 0.611 5.081 4.470 -0.000 0.000 0.273 838 S C -1.233 173.747 174.600 0.634 0.000 1.168 838 S CA -0.858 57.621 58.200 0.465 0.000 0.817 838 S CB 1.580 64.927 63.200 0.245 0.000 1.146 838 S HN 0.272 nan 8.310 nan 0.000 0.475 839 V N 1.043 121.219 119.914 0.436 0.000 2.525 839 V HA 0.790 4.910 4.120 -0.000 0.000 0.299 839 V C 0.276 176.527 176.094 0.262 0.000 1.034 839 V CA -0.440 62.048 62.300 0.312 0.000 0.863 839 V CB 1.142 33.038 31.823 0.121 0.000 0.999 839 V HN 1.298 nan 8.190 nan 0.000 0.423 840 A N 4.632 127.577 122.820 0.209 0.000 2.354 840 A HA 0.805 5.125 4.320 -0.000 0.000 0.269 840 A C -0.480 177.193 177.584 0.148 0.000 1.109 840 A CA -0.303 51.836 52.037 0.170 0.000 0.800 840 A CB 0.890 19.967 19.000 0.130 0.000 1.045 840 A HN 0.785 nan 8.150 nan 0.000 0.489 841 V N 2.253 122.262 119.914 0.159 0.000 2.638 841 V HA 0.469 4.589 4.120 -0.000 0.000 0.306 841 V C -0.294 175.862 176.094 0.104 0.000 1.052 841 V CA -0.533 61.842 62.300 0.125 0.000 0.885 841 V CB 1.721 33.647 31.823 0.172 0.000 0.999 841 V HN 1.023 nan 8.190 nan 0.000 0.424 842 E N 3.039 123.280 120.200 0.069 0.000 2.199 842 E HA 0.563 4.913 4.350 -0.000 0.000 0.265 842 E C -1.108 175.517 176.600 0.041 0.000 0.882 842 E CA -0.574 55.863 56.400 0.062 0.000 0.759 842 E CB 1.819 31.549 29.700 0.052 0.000 1.148 842 E HN 0.764 nan 8.360 nan 0.000 0.412 843 E N 3.174 123.412 120.200 0.064 0.000 2.158 843 E HA 0.337 4.687 4.350 -0.000 0.000 0.271 843 E C -0.941 175.695 176.600 0.060 0.000 0.911 843 E CA -0.718 55.692 56.400 0.016 0.000 0.767 843 E CB 1.401 31.166 29.700 0.109 0.000 1.120 843 E HN 0.320 nan 8.360 nan 0.000 0.405 844 N N 3.509 122.197 118.700 -0.019 0.000 2.564 844 N HA 0.170 4.910 4.740 -0.000 0.000 0.248 844 N C -1.409 174.123 175.510 0.037 0.000 0.986 844 N CA -0.461 52.622 53.050 0.054 0.000 0.921 844 N CB 0.750 39.258 38.487 0.034 0.000 1.136 844 N HN 0.312 nan 8.380 nan 0.000 0.509 845 W N 1.805 123.127 121.300 0.037 0.000 2.331 845 W HA 0.391 5.051 4.660 -0.000 0.000 0.306 845 W C 0.411 176.947 176.519 0.030 0.000 1.162 845 W CA -0.481 56.903 57.345 0.065 0.000 1.232 845 W CB 0.874 30.389 29.460 0.092 0.000 1.235 845 W HN 0.148 nan 8.180 nan 0.000 0.479 846 Q N 2.654 122.600 119.800 0.243 0.000 2.289 846 Q HA 0.419 4.759 4.340 -0.000 0.000 0.270 846 Q C -0.933 175.146 176.000 0.132 0.000 1.038 846 Q CA -1.022 54.870 55.803 0.148 0.000 0.812 846 Q CB 2.487 31.280 28.738 0.092 0.000 1.300 846 Q HN 0.373 nan 8.270 nan 0.000 0.427 847 L N 2.148 123.435 121.223 0.107 0.000 2.319 847 L HA 0.324 4.664 4.340 -0.000 0.000 0.280 847 L C -0.480 176.424 176.870 0.056 0.000 1.099 847 L CA 0.010 54.899 54.840 0.082 0.000 0.828 847 L CB 0.526 42.627 42.059 0.070 0.000 1.150 847 L HN 0.593 nan 8.230 nan 0.000 0.442 848 D N 2.753 123.181 120.400 0.046 0.000 2.473 848 D HA 0.391 5.031 4.640 -0.000 0.000 0.253 848 D C 0.553 176.867 176.300 0.024 0.000 1.233 848 D CA -0.020 53.999 54.000 0.033 0.000 0.908 848 D CB 1.360 42.179 40.800 0.032 0.000 1.170 848 D HN 0.666 nan 8.370 nan 0.000 0.558 849 G N 2.882 111.694 108.800 0.019 0.000 2.366 849 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.299 849 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.299 849 G C 1.157 176.063 174.900 0.010 0.000 1.020 849 G CA 0.636 45.743 45.100 0.012 0.000 1.026 849 G HN 1.632 nan 8.290 nan 0.000 0.512 850 G N -1.487 107.322 108.800 0.016 0.000 2.196 850 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.268 850 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.268 850 G C 0.233 175.141 174.900 0.014 0.000 0.975 850 G CA 1.090 46.199 45.100 0.014 0.000 0.648 850 G HN 0.964 nan 8.290 nan 0.000 0.538 851 E N -0.402 119.809 120.200 0.017 0.000 2.216 851 E HA 0.494 4.844 4.350 -0.000 0.000 0.279 851 E C -0.348 176.278 176.600 0.044 0.000 0.997 851 E CA -1.002 55.408 56.400 0.016 0.000 0.817 851 E CB 1.667 31.370 29.700 0.006 0.000 1.096 851 E HN 0.148 nan 8.360 nan 0.000 0.393 852 L N 4.324 125.582 121.223 0.058 0.000 2.325 852 L HA 0.185 4.525 4.340 -0.000 0.000 0.284 852 L C -1.097 175.830 176.870 0.096 0.000 1.089 852 L CA -0.209 54.701 54.840 0.117 0.000 0.836 852 L CB 0.045 42.203 42.059 0.165 0.000 1.184 852 L HN 0.562 nan 8.230 nan 0.000 0.444 853 C N 5.662 125.021 119.300 0.098 0.000 2.329 853 C HA 0.643 5.103 4.460 -0.000 0.000 0.329 853 C C -0.224 174.777 174.990 0.018 0.000 1.275 853 C CA -0.878 58.166 59.018 0.044 0.000 1.726 853 C CB 0.813 28.576 27.740 0.038 0.000 2.291 853 C HN 0.740 nan 8.230 nan 0.000 0.514 854 L N 4.464 125.632 121.223 -0.092 0.000 2.372 854 L HA 0.584 4.924 4.340 -0.000 0.000 0.274 854 L C -0.188 176.569 176.870 -0.187 0.000 0.988 854 L CA -0.260 54.409 54.840 -0.285 0.000 0.833 854 L CB 0.602 42.319 42.059 -0.571 0.000 1.236 854 L HN 0.746 nan 8.230 nan 0.000 0.410 855 R N 5.693 126.100 120.500 -0.154 0.000 2.338 855 R HA 0.698 5.038 4.340 -0.000 0.000 0.317 855 R C -1.415 174.825 176.300 -0.101 0.000 0.968 855 R CA -0.506 55.543 56.100 -0.085 0.000 0.849 855 R CB 0.854 31.133 30.300 -0.035 0.000 1.128 855 R HN 0.770 nan 8.270 nan 0.000 0.448 856 I N 4.265 124.792 120.570 -0.071 0.000 2.382 856 I HA 0.250 4.420 4.170 -0.000 0.000 0.286 856 I C -0.719 175.387 176.117 -0.019 0.000 1.002 856 I CA -0.723 60.542 61.300 -0.058 0.000 1.135 856 I CB 1.883 39.842 38.000 -0.067 0.000 1.288 856 I HN 0.459 nan 8.210 nan 0.000 0.448 857 D N 8.030 128.429 120.400 -0.002 0.000 2.256 857 D HA 0.499 5.139 4.640 -0.000 0.000 0.240 857 D C -0.356 175.959 176.300 0.025 0.000 1.062 857 D CA -0.128 53.882 54.000 0.016 0.000 0.832 857 D CB 2.679 43.494 40.800 0.025 0.000 1.135 857 D HN 0.308 nan 8.370 nan 0.000 0.484 858 I N 1.715 122.300 120.570 0.026 0.000 2.382 858 I HA 0.158 4.328 4.170 -0.000 0.000 0.286 858 I C 0.068 176.223 176.117 0.063 0.000 1.002 858 I CA -0.456 60.861 61.300 0.029 0.000 1.135 858 I CB 1.601 39.599 38.000 -0.004 0.000 1.288 858 I HN 0.214 nan 8.210 nan 0.000 0.448 859 T N 3.300 117.907 114.554 0.088 0.000 3.064 859 T HA 0.471 4.821 4.350 -0.000 0.000 0.367 859 T C -2.641 172.156 174.700 0.162 0.000 1.202 859 T CA -2.185 59.980 62.100 0.108 0.000 1.133 859 T CB 0.844 69.766 68.868 0.090 0.000 1.074 859 T HN 0.101 nan 8.240 nan 0.000 0.519 860 P HA 0.198 nan 4.420 nan 0.000 0.269 860 P C 0.595 178.100 177.300 0.342 0.000 1.209 860 P CA -0.174 63.120 63.100 0.323 0.000 0.776 860 P CB 0.566 32.442 31.700 0.292 0.000 0.876 861 S N 1.806 117.784 115.700 0.463 0.000 2.587 861 S HA 0.393 4.863 4.470 -0.000 0.000 0.260 861 S C 0.329 175.117 174.600 0.312 0.000 1.353 861 S CA -0.549 57.847 58.200 0.327 0.000 0.995 861 S CB 0.052 63.412 63.200 0.266 0.000 0.912 861 S HN 0.568 nan 8.310 nan 0.000 0.568 862 A N 0.347 123.272 122.820 0.175 0.000 2.332 862 A HA 0.623 4.943 4.320 -0.000 0.000 0.258 862 A C 1.437 179.068 177.584 0.078 0.000 1.087 862 A CA -0.058 52.053 52.037 0.122 0.000 0.802 862 A CB -0.884 18.162 19.000 0.077 0.000 1.042 862 A HN 2.411 nan 8.150 nan 0.000 0.489 863 G N -0.968 107.850 108.800 0.031 0.000 2.213 863 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.236 863 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.236 863 G C 0.049 174.790 174.900 -0.264 0.000 0.991 863 G CA 0.090 45.156 45.100 -0.056 0.000 0.629 863 G HN 0.779 nan 8.290 nan 0.000 0.517 864 W N 1.238 122.373 121.300 -0.276 0.000 2.417 864 W HA 0.488 5.148 4.660 0.001 0.000 0.332 864 W C 0.876 177.250 176.519 -0.243 0.000 1.413 864 W CA 0.562 57.721 57.345 -0.309 0.000 1.299 864 W CB 0.367 29.727 29.460 -0.166 0.000 1.304 864 W HN 0.227 nan 8.180 nan 0.000 0.565 865 N N 5.652 124.386 118.700 0.057 0.000 2.679 865 N HA 0.272 5.012 4.740 -0.000 0.000 0.302 865 N C -1.613 173.933 175.510 0.059 0.000 1.941 865 N CA -0.340 52.721 53.050 0.018 0.000 0.875 865 N CB -0.242 38.242 38.487 -0.004 0.000 1.278 865 N HN 0.416 nan 8.380 nan 0.000 0.490 866 L N -2.593 118.675 121.223 0.076 0.000 2.671 866 L HA 0.710 5.050 4.340 -0.000 0.000 0.259 866 L C -1.068 175.843 176.870 0.068 0.000 1.021 866 L CA -1.129 53.788 54.840 0.129 0.000 0.871 866 L CB 1.063 43.295 42.059 0.288 0.000 1.472 866 L HN -0.311 nan 8.230 nan 0.000 0.410 867 V N 1.241 121.233 119.914 0.130 0.000 2.763 867 V HA 0.060 4.180 4.120 -0.000 0.000 0.306 867 V C -0.600 175.709 176.094 0.358 0.000 1.059 867 V CA 0.624 62.988 62.300 0.106 0.000 1.138 867 V CB 0.543 32.374 31.823 0.014 0.000 0.940 867 V HN 0.529 nan 8.190 nan 0.000 0.489 868 W N 6.093 127.336 121.300 -0.095 0.000 2.496 868 W HA 0.441 5.101 4.660 -0.000 0.000 0.327 868 W C -1.642 174.604 176.519 -0.454 0.000 1.086 868 W CA -2.433 54.727 57.345 -0.308 0.000 1.222 868 W CB 0.788 30.063 29.460 -0.310 0.000 1.304 868 W HN 0.424 nan 8.180 nan 0.000 0.547 869 P HA -0.082 nan 4.420 nan 0.000 0.217 869 P C -0.381 176.725 177.300 -0.322 0.000 1.151 869 P CA 1.729 64.370 63.100 -0.765 0.000 0.828 869 P CB 0.450 31.306 31.700 -1.405 0.000 0.788 870 R N -2.137 118.177 120.500 -0.311 0.000 2.712 870 R HA 0.660 5.000 4.340 -0.000 0.000 0.272 870 R C -1.592 174.603 176.300 -0.175 0.000 1.032 870 R CA -0.822 55.159 56.100 -0.198 0.000 0.874 870 R CB 0.454 30.607 30.300 -0.244 0.000 1.256 870 R HN -0.244 nan 8.270 nan 0.000 0.468 871 I N 0.845 121.359 120.570 -0.094 0.000 2.468 871 I HA 0.755 4.925 4.170 -0.000 0.000 0.285 871 I C -0.329 175.748 176.117 -0.067 0.000 1.039 871 I CA -0.539 60.699 61.300 -0.105 0.000 1.074 871 I CB 2.150 40.158 38.000 0.013 0.000 1.228 871 I HN 0.950 nan 8.210 nan 0.000 0.436 872 G N 4.533 113.278 108.800 -0.092 0.000 2.600 872 G HA2 0.698 4.658 3.960 -0.000 0.000 0.293 872 G HA3 0.698 4.658 3.960 -0.000 0.000 0.293 872 G C -1.515 173.353 174.900 -0.053 0.000 1.408 872 G CA -0.576 44.520 45.100 -0.007 0.000 0.782 872 G HN 0.511 nan 8.290 nan 0.000 0.482 873 V N -2.272 117.634 119.914 -0.012 0.000 2.823 873 V HA 0.903 5.023 4.120 -0.000 0.000 0.312 873 V C -0.417 175.580 176.094 -0.161 0.000 1.072 873 V CA -1.231 60.973 62.300 -0.160 0.000 0.937 873 V CB 1.917 33.582 31.823 -0.264 0.000 1.013 873 V HN 0.963 nan 8.190 nan 0.000 0.430 874 R N 2.304 122.601 120.500 -0.339 0.000 2.514 874 R HA 0.621 4.961 4.340 -0.000 0.000 0.301 874 R C -2.020 174.041 176.300 -0.398 0.000 0.962 874 R CA -0.550 55.301 56.100 -0.415 0.000 0.882 874 R CB 1.653 31.625 30.300 -0.547 0.000 1.143 874 R HN 0.848 nan 8.270 nan 0.000 0.452 875 W N 2.572 123.815 121.300 -0.094 0.000 2.587 875 W HA 0.321 4.981 4.660 0.000 0.000 0.324 875 W C -0.863 175.655 176.519 -0.001 0.000 1.040 875 W CA -0.665 56.680 57.345 -0.000 0.000 1.222 875 W CB 1.570 31.058 29.460 0.047 0.000 1.381 875 W HN 0.391 nan 8.180 nan 0.000 0.483 876 D N 3.502 124.000 120.400 0.164 0.000 2.274 876 D HA 0.515 5.155 4.640 -0.000 0.000 0.239 876 D C -0.227 176.038 176.300 -0.058 0.000 1.104 876 D CA -0.153 53.784 54.000 -0.106 0.000 0.840 876 D CB 1.002 41.615 40.800 -0.312 0.000 1.100 876 D HN 0.142 nan 8.370 nan 0.000 0.477 877 L N 2.321 123.493 121.223 -0.084 0.000 2.279 877 L HA 0.551 4.891 4.340 -0.000 0.000 0.262 877 L C -2.351 174.506 176.870 -0.021 0.000 1.019 877 L CA -2.523 52.312 54.840 -0.008 0.000 0.823 877 L CB 1.641 43.704 42.059 0.008 0.000 1.358 877 L HN 0.019 nan 8.230 nan 0.000 0.432 878 P HA 0.002 nan 4.420 nan 0.000 0.267 878 P C 0.593 177.779 177.300 -0.190 0.000 1.200 878 P CA -0.092 62.895 63.100 -0.188 0.000 0.772 878 P CB 0.513 32.042 31.700 -0.285 0.000 0.855 879 T N -1.585 112.856 114.554 -0.189 0.000 2.929 879 T HA -0.200 4.150 4.350 -0.000 0.000 0.271 879 T C 0.984 175.609 174.700 -0.125 0.000 1.085 879 T CA 1.475 63.482 62.100 -0.154 0.000 1.125 879 T CB -0.923 67.857 68.868 -0.147 0.000 0.874 879 T HN 0.440 nan 8.240 nan 0.000 0.494 880 D N 1.239 121.551 120.400 -0.147 0.000 2.378 880 D HA 0.001 4.641 4.640 -0.000 0.000 0.227 880 D C 0.361 176.585 176.300 -0.126 0.000 1.012 880 D CA -0.160 53.765 54.000 -0.126 0.000 0.905 880 D CB -0.797 39.923 40.800 -0.133 0.000 0.895 880 D HN 0.340 nan 8.370 nan 0.000 0.532 881 V N 2.320 122.143 119.914 -0.151 0.000 2.397 881 V HA 0.151 4.271 4.120 -0.000 0.000 0.262 881 V C 0.241 176.334 176.094 -0.001 0.000 1.047 881 V CA 0.310 62.559 62.300 -0.084 0.000 1.003 881 V CB 0.534 32.299 31.823 -0.096 0.000 1.037 881 V HN 0.293 nan 8.190 nan 0.000 0.480 882 D N 2.593 123.013 120.400 0.033 0.000 2.651 882 D HA 0.356 4.996 4.640 -0.000 0.000 0.280 882 D C 0.159 176.509 176.300 0.084 0.000 1.496 882 D CA 0.192 54.221 54.000 0.049 0.000 0.792 882 D CB 0.779 41.593 40.800 0.023 0.000 1.144 882 D HN 0.598 nan 8.370 nan 0.000 0.470 883 G N -0.910 107.959 108.800 0.115 0.000 2.601 883 G HA2 0.680 4.640 3.960 -0.000 0.000 0.291 883 G HA3 0.680 4.640 3.960 -0.000 0.000 0.291 883 G C -1.896 173.113 174.900 0.182 0.000 1.456 883 G CA -0.355 44.833 45.100 0.147 0.000 0.804 883 G HN 0.502 nan 8.290 nan 0.000 0.499 884 A N -0.852 122.114 122.820 0.244 0.000 2.539 884 A HA 1.033 5.353 4.320 -0.000 0.000 0.296 884 A C -0.303 177.526 177.584 0.409 0.000 1.073 884 A CA 0.059 52.260 52.037 0.274 0.000 0.700 884 A CB 1.631 20.786 19.000 0.258 0.000 1.296 884 A HN 2.388 nan 8.150 nan 0.000 0.405 885 A N 0.371 123.422 122.820 0.385 0.000 2.355 885 A HA 0.943 5.263 4.320 -0.000 0.000 0.324 885 A C -0.886 176.961 177.584 0.438 0.000 1.117 885 A CA -0.290 51.987 52.037 0.400 0.000 0.785 885 A CB 0.647 19.856 19.000 0.349 0.000 1.254 885 A HN 2.061 nan 8.150 nan 0.000 0.453 886 W N -0.004 121.184 121.300 -0.187 0.000 3.074 886 W HA 0.679 5.340 4.660 0.000 0.000 0.332 886 W C -2.123 173.882 176.519 -0.857 0.000 1.253 886 W CA -1.142 55.832 57.345 -0.617 0.000 1.180 886 W CB 0.800 30.171 29.460 -0.150 0.000 1.445 886 W HN 0.622 nan 8.180 nan 0.000 0.573 887 F N 2.731 121.883 119.950 -1.331 0.000 2.402 887 F HA 0.800 5.327 4.527 -0.000 0.000 0.355 887 F C 0.294 175.862 175.800 -0.387 0.000 1.123 887 F CA 0.607 58.040 58.000 -0.944 0.000 1.021 887 F CB 1.224 39.639 39.000 -0.975 0.000 1.160 887 F HN 0.975 nan 8.300 nan 0.000 0.451 888 G N 2.907 111.265 108.800 -0.737 0.000 2.344 888 G HA2 0.443 4.403 3.960 -0.000 0.000 0.282 888 G HA3 0.443 4.403 3.960 -0.000 0.000 0.282 888 G C -1.707 173.075 174.900 -0.196 0.000 1.281 888 G CA -0.368 44.557 45.100 -0.291 0.000 0.877 888 G HN 0.886 nan 8.290 nan 0.000 0.494 889 A N -0.669 122.115 122.820 -0.060 0.000 2.440 889 A HA 0.809 5.129 4.320 -0.000 0.000 0.251 889 A C 0.873 178.439 177.584 -0.030 0.000 1.089 889 A CA 1.421 53.401 52.037 -0.095 0.000 0.779 889 A CB 0.270 19.189 19.000 -0.136 0.000 1.022 889 A HN 2.461 nan 8.150 nan 0.000 0.492 890 G N 0.948 109.551 108.800 -0.328 0.000 2.489 890 G HA2 0.572 4.532 3.960 -0.000 0.000 0.305 890 G HA3 0.572 4.532 3.960 -0.000 0.000 0.305 890 G C -2.828 171.689 174.900 -0.639 0.000 1.311 890 G CA 0.049 44.709 45.100 -0.734 0.000 0.813 890 G HN 0.321 nan 8.290 nan 0.000 0.480 891 P HA 0.176 nan 4.420 nan 0.000 0.245 891 P C 0.562 177.772 177.300 -0.151 0.000 1.203 891 P CA 0.152 62.929 63.100 -0.539 0.000 0.792 891 P CB 0.682 32.224 31.700 -0.263 0.000 0.997 892 R N 0.880 121.272 120.500 -0.181 0.000 2.608 892 R HA 0.289 4.629 4.340 -0.000 0.000 0.255 892 R C 0.724 176.941 176.300 -0.138 0.000 1.086 892 R CA -0.803 55.220 56.100 -0.128 0.000 1.125 892 R CB 0.481 30.693 30.300 -0.147 0.000 1.193 892 R HN 0.101 nan 8.270 nan 0.000 0.553 893 E N 0.622 120.752 120.200 -0.116 0.000 2.436 893 E HA 0.079 4.429 4.350 -0.000 0.000 0.262 893 E C -0.958 175.576 176.600 -0.111 0.000 1.063 893 E CA -0.125 56.187 56.400 -0.147 0.000 0.944 893 E CB 0.609 30.336 29.700 0.044 0.000 0.950 893 E HN 0.560 nan 8.360 nan 0.000 0.444 894 S N 1.514 117.042 115.700 -0.286 0.000 2.541 894 S HA 0.564 5.034 4.470 -0.000 0.000 0.271 894 S C -1.454 172.881 174.600 -0.441 0.000 1.133 894 S CA -0.948 57.139 58.200 -0.188 0.000 0.876 894 S CB 0.782 63.886 63.200 -0.160 0.000 1.105 894 S HN 0.548 nan 8.310 nan 0.000 0.470 895 Y N 0.066 120.368 120.300 0.005 0.000 2.609 895 Y HA 0.516 5.066 4.550 -0.000 0.000 0.342 895 Y C -2.127 173.748 175.900 -0.042 0.000 1.058 895 Y CA -2.232 55.867 58.100 -0.001 0.000 1.055 895 Y CB 1.530 39.958 38.460 -0.053 0.000 1.292 895 Y HN 0.388 nan 8.280 nan 0.000 0.476 896 P HA -0.166 nan 4.420 nan 0.000 0.216 896 P C 0.368 177.544 177.300 -0.206 0.000 1.150 896 P CA 2.049 65.199 63.100 0.084 0.000 0.843 896 P CB 0.208 32.054 31.700 0.242 0.000 0.787 897 D N -2.429 117.767 120.400 -0.339 0.000 2.342 897 D HA 0.078 4.718 4.640 -0.000 0.000 0.221 897 D C 0.095 176.212 176.300 -0.306 0.000 1.101 897 D CA 0.094 53.650 54.000 -0.741 0.000 0.837 897 D CB -0.353 40.110 40.800 -0.561 0.000 0.938 897 D HN -0.048 nan 8.370 nan 0.000 0.508 898 S N 0.151 115.774 115.700 -0.130 0.000 2.317 898 S HA 0.303 4.773 4.470 -0.000 0.000 0.144 898 S C 0.192 174.787 174.600 -0.008 0.000 1.660 898 S CA -0.566 57.632 58.200 -0.003 0.000 1.273 898 S CB -0.146 63.099 63.200 0.074 0.000 1.330 898 S HN 0.046 nan 8.310 nan 0.000 0.395 899 M N 1.658 121.203 119.600 -0.093 0.000 2.292 899 M HA 0.256 4.736 4.480 -0.000 0.000 0.286 899 M C 1.177 177.388 176.300 -0.149 0.000 1.002 899 M CA 0.116 55.334 55.300 -0.136 0.000 1.029 899 M CB -0.630 31.860 32.600 -0.183 0.000 1.537 899 M HN 0.566 nan 8.290 nan 0.000 0.543 900 H N 0.489 119.561 119.070 0.003 0.000 2.387 900 H HA 0.095 4.651 4.556 -0.000 0.000 0.299 900 H C 1.294 176.636 175.328 0.023 0.000 1.090 900 H CA 1.556 57.614 56.048 0.017 0.000 1.332 900 H CB 0.284 30.057 29.762 0.019 0.000 1.386 900 H HN 0.316 nan 8.280 nan 0.000 0.516 901 A N 1.629 124.530 122.820 0.135 0.000 2.476 901 A HA 0.125 4.444 4.320 -0.000 0.000 0.263 901 A C 0.810 178.403 177.584 0.016 0.000 1.342 901 A CA -0.061 52.038 52.037 0.103 0.000 0.926 901 A CB -0.649 18.452 19.000 0.168 0.000 1.019 901 A HN 0.345 nan 8.150 nan 0.000 0.515 902 T N -2.457 112.083 114.554 -0.023 0.000 2.925 902 T HA 0.759 5.109 4.350 -0.000 0.000 0.285 902 T C -0.296 174.353 174.700 -0.086 0.000 1.021 902 T CA -0.758 61.290 62.100 -0.087 0.000 1.042 902 T CB 1.388 70.187 68.868 -0.115 0.000 1.037 902 T HN 0.025 nan 8.240 nan 0.000 0.481 903 M N 2.063 121.595 119.600 -0.113 0.000 2.530 903 M HA 0.421 4.901 4.480 -0.000 0.000 0.307 903 M C -0.839 175.309 176.300 -0.254 0.000 1.161 903 M CA -1.160 54.056 55.300 -0.141 0.000 0.903 903 M CB 2.165 34.717 32.600 -0.079 0.000 1.711 903 M HN 0.507 nan 8.290 nan 0.000 0.451 904 V N 2.483 122.060 119.914 -0.561 0.000 2.427 904 V HA 0.754 4.874 4.120 -0.000 0.000 0.268 904 V C 0.364 175.850 176.094 -1.013 0.000 1.046 904 V CA 0.042 61.771 62.300 -0.952 0.000 0.970 904 V CB 0.252 31.096 31.823 -1.633 0.000 1.001 904 V HN 1.036 nan 8.190 nan 0.000 0.476 905 A N 5.442 127.568 122.820 -1.156 0.000 2.457 905 A HA 0.698 5.017 4.320 -0.000 0.000 0.305 905 A C -0.726 176.094 177.584 -1.273 0.000 1.110 905 A CA -0.854 50.568 52.037 -1.024 0.000 0.616 905 A CB 1.092 19.675 19.000 -0.694 0.000 1.371 905 A HN 0.600 nan 8.150 nan 0.000 0.525 906 R N 0.950 121.018 120.500 -0.720 0.000 2.254 906 R HA 0.539 4.878 4.340 -0.000 0.000 0.318 906 R C -1.141 174.601 176.300 -0.930 0.000 1.031 906 R CA -0.266 55.479 56.100 -0.592 0.000 0.905 906 R CB 0.244 30.494 30.300 -0.083 0.000 1.050 906 R HN 0.832 nan 8.270 nan 0.000 0.456 907 H N 1.356 119.904 119.070 -0.870 0.000 2.797 907 H HA 0.663 5.219 4.556 -0.000 0.000 0.372 907 H C -0.949 173.914 175.328 -0.774 0.000 1.168 907 H CA -0.789 54.657 56.048 -1.004 0.000 1.163 907 H CB 2.268 30.965 29.762 -1.776 0.000 1.778 907 H HN 0.721 nan 8.280 nan 0.000 0.551 908 A N 0.677 123.348 122.820 -0.248 0.000 2.520 908 A HA 0.787 5.107 4.320 -0.000 0.000 0.298 908 A C -1.371 176.326 177.584 0.188 0.000 1.051 908 A CA -0.155 51.915 52.037 0.054 0.000 0.690 908 A CB 1.808 20.844 19.000 0.060 0.000 1.281 908 A HN 0.856 nan 8.150 nan 0.000 0.402 909 A N 0.901 123.914 122.820 0.321 0.000 2.540 909 A HA 0.762 5.082 4.320 -0.000 0.000 0.297 909 A C -0.002 177.707 177.584 0.209 0.000 1.056 909 A CA 0.193 52.384 52.037 0.257 0.000 0.700 909 A CB 0.744 19.939 19.000 0.326 0.000 1.280 909 A HN 2.270 nan 8.150 nan 0.000 0.398 910 S N 1.350 117.134 115.700 0.140 0.000 2.617 910 S HA 0.451 4.921 4.470 -0.000 0.000 0.259 910 S C 1.241 175.906 174.600 0.109 0.000 1.301 910 S CA -0.219 58.049 58.200 0.114 0.000 0.984 910 S CB 0.210 63.459 63.200 0.082 0.000 0.954 910 S HN 0.759 nan 8.310 nan 0.000 0.572 911 L N 0.649 121.929 121.223 0.095 0.000 2.013 911 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 911 L C 2.679 179.589 176.870 0.068 0.000 1.073 911 L CA 1.981 56.872 54.840 0.086 0.000 0.753 911 L CB -0.762 41.344 42.059 0.078 0.000 0.890 911 L HN 0.752 nan 8.230 nan 0.000 0.432 912 E N -0.270 119.965 120.200 0.059 0.000 2.150 912 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 912 E C 1.934 178.554 176.600 0.034 0.000 0.985 912 E CA 1.039 57.466 56.400 0.045 0.000 0.814 912 E CB -0.127 29.598 29.700 0.042 0.000 0.752 912 E HN 0.528 nan 8.360 nan 0.000 0.466 913 E N 0.248 120.476 120.200 0.047 0.000 2.230 913 E HA -0.014 4.336 4.350 -0.000 0.000 0.192 913 E C 1.929 178.549 176.600 0.032 0.000 0.987 913 E CA 0.306 56.732 56.400 0.042 0.000 0.841 913 E CB -0.001 29.739 29.700 0.066 0.000 0.783 913 E HN 0.222 nan 8.360 nan 0.000 0.481 914 L N 0.889 122.137 121.223 0.041 0.000 2.056 914 L HA -0.075 4.265 4.340 -0.000 0.000 0.207 914 L C 0.564 177.414 176.870 -0.035 0.000 1.078 914 L CA 0.646 55.484 54.840 -0.004 0.000 0.749 914 L CB -0.106 41.958 42.059 0.008 0.000 0.901 914 L HN 0.068 nan 8.230 nan 0.000 0.433 915 N N -0.658 118.037 118.700 -0.008 0.000 2.362 915 N HA 0.299 5.039 4.740 -0.000 0.000 0.298 915 N C -0.827 174.645 175.510 -0.064 0.000 1.048 915 N CA -0.351 52.692 53.050 -0.012 0.000 0.858 915 N CB 2.395 40.903 38.487 0.035 0.000 1.218 915 N HN -0.284 nan 8.380 nan 0.000 0.488 916 V N 3.267 123.094 119.914 -0.145 0.000 2.432 916 V HA 0.278 4.398 4.120 -0.000 0.000 0.275 916 V C -1.718 174.149 176.094 -0.379 0.000 1.043 916 V CA -1.289 60.790 62.300 -0.367 0.000 0.925 916 V CB 1.320 32.688 31.823 -0.758 0.000 0.985 916 V HN 0.561 nan 8.190 nan 0.000 0.466 917 P HA 0.155 nan 4.420 nan 0.000 0.230 917 P C -0.503 176.730 177.300 -0.111 0.000 1.791 917 P CA -0.257 62.779 63.100 -0.106 0.000 1.020 917 P CB -0.464 31.226 31.700 -0.018 0.000 1.977 918 Y N 0.728 121.026 120.300 -0.005 0.000 2.578 918 Y HA 0.059 4.609 4.550 -0.000 0.000 0.339 918 Y C 2.198 178.103 175.900 0.008 0.000 1.231 918 Y CA -0.311 57.767 58.100 -0.037 0.000 1.461 918 Y CB 0.323 38.736 38.460 -0.079 0.000 1.323 918 Y HN 0.260 nan 8.280 nan 0.000 0.590 919 A N 3.381 126.306 122.820 0.176 0.000 1.940 919 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 919 A C 1.299 178.995 177.584 0.186 0.000 1.176 919 A CA 1.233 53.394 52.037 0.206 0.000 0.631 919 A CB -0.277 18.833 19.000 0.183 0.000 0.814 919 A HN 0.735 nan 8.150 nan 0.000 0.446 920 R N 0.374 120.903 120.500 0.048 0.000 2.265 920 R HA 0.362 4.702 4.340 -0.000 0.000 0.328 920 R C -3.027 173.281 176.300 0.014 0.000 0.969 920 R CA -2.400 53.694 56.100 -0.012 0.000 0.832 920 R CB 0.901 31.102 30.300 -0.166 0.000 1.139 920 R HN 0.042 nan 8.270 nan 0.000 0.457 921 P HA -0.090 nan 4.420 nan 0.000 0.262 921 P C -1.204 176.104 177.300 0.014 0.000 1.182 921 P CA 0.522 63.650 63.100 0.047 0.000 0.761 921 P CB 0.674 32.388 31.700 0.023 0.000 0.795 922 Q N 0.650 120.467 119.800 0.030 0.000 2.782 922 Q HA 0.377 4.717 4.340 -0.000 0.000 0.308 922 Q C -1.044 174.937 176.000 -0.031 0.000 0.883 922 Q CA -1.152 54.625 55.803 -0.044 0.000 0.755 922 Q CB 0.545 29.200 28.738 -0.138 0.000 1.454 922 Q HN 0.115 nan 8.270 nan 0.000 0.452 923 E N 0.951 121.081 120.200 -0.116 0.000 2.652 923 E HA 0.190 4.540 4.350 -0.000 0.000 0.255 923 E C -1.244 175.354 176.600 -0.004 0.000 0.952 923 E CA 1.297 57.633 56.400 -0.107 0.000 0.947 923 E CB 0.450 30.034 29.700 -0.194 0.000 0.912 923 E HN 0.645 nan 8.360 nan 0.000 0.489 924 T N 2.369 116.984 114.554 0.101 0.000 2.830 924 T HA 0.546 4.896 4.350 -0.000 0.000 0.322 924 T C 0.276 175.066 174.700 0.149 0.000 1.501 924 T CA 0.273 62.499 62.100 0.211 0.000 1.036 924 T CB 0.702 69.713 68.868 0.238 0.000 1.379 924 T HN 1.013 nan 8.240 nan 0.000 0.493 925 G N 2.008 110.882 108.800 0.122 0.000 2.176 925 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.232 925 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.232 925 G C -0.046 174.714 174.900 -0.234 0.000 0.986 925 G CA 0.606 45.671 45.100 -0.059 0.000 0.643 925 G HN 1.295 nan 8.290 nan 0.000 0.522 926 H N 1.887 120.783 119.070 -0.290 0.000 3.046 926 H HA 0.551 5.107 4.556 -0.000 0.000 0.303 926 H C 0.562 175.467 175.328 -0.705 0.000 1.002 926 H CA 0.137 55.854 56.048 -0.550 0.000 1.460 926 H CB 0.461 29.824 29.762 -0.665 0.000 1.493 926 H HN 0.137 nan 8.280 nan 0.000 0.559 927 R N 4.087 123.792 120.500 -1.325 0.000 2.294 927 R HA 0.303 4.643 4.340 -0.000 0.000 0.319 927 R C -0.328 175.322 176.300 -1.084 0.000 0.984 927 R CA -0.613 54.758 56.100 -1.214 0.000 0.861 927 R CB 1.334 30.585 30.300 -1.747 0.000 1.104 927 R HN 0.596 nan 8.270 nan 0.000 0.451 928 S N 1.271 116.568 115.700 -0.671 0.000 2.672 928 S HA 0.190 4.660 4.470 -0.000 0.000 0.276 928 S C -0.324 174.171 174.600 -0.176 0.000 1.207 928 S CA -0.587 57.379 58.200 -0.391 0.000 1.002 928 S CB 0.727 63.797 63.200 -0.218 0.000 0.998 928 S HN 0.580 nan 8.310 nan 0.000 0.542 929 D N 0.210 120.567 120.400 -0.072 0.000 2.699 929 D HA -0.121 4.519 4.640 -0.000 0.000 0.239 929 D C -0.737 175.575 176.300 0.019 0.000 1.136 929 D CA 0.413 54.409 54.000 -0.007 0.000 0.668 929 D CB -1.563 39.225 40.800 -0.020 0.000 1.060 929 D HN 0.193 nan 8.370 nan 0.000 0.429 930 V N 0.581 120.520 119.914 0.043 0.000 2.488 930 V HA 0.111 4.231 4.120 -0.000 0.000 0.277 930 V C 1.683 177.850 176.094 0.122 0.000 1.046 930 V CA -0.005 62.355 62.300 0.101 0.000 0.986 930 V CB 1.701 33.608 31.823 0.139 0.000 0.989 930 V HN 0.062 nan 8.190 nan 0.000 0.475 931 R N 4.091 124.675 120.500 0.140 0.000 2.062 931 R HA 0.135 4.475 4.340 -0.000 0.000 0.226 931 R C 0.335 176.791 176.300 0.260 0.000 1.125 931 R CA 1.106 57.331 56.100 0.209 0.000 0.966 931 R CB 0.230 30.723 30.300 0.321 0.000 0.861 931 R HN 0.851 nan 8.270 nan 0.000 0.433 932 W N -0.398 121.014 121.300 0.187 0.000 3.137 932 W HA 0.523 5.183 4.660 -0.000 0.000 0.324 932 W C -1.799 174.779 176.519 0.098 0.000 1.253 932 W CA -1.619 55.779 57.345 0.088 0.000 1.183 932 W CB 0.452 29.936 29.460 0.041 0.000 1.424 932 W HN -0.122 nan 8.180 nan 0.000 0.566 933 L N 0.004 121.446 121.223 0.365 0.000 2.388 933 L HA 0.800 5.140 4.340 -0.000 0.000 0.264 933 L C -1.134 175.876 176.870 0.233 0.000 0.998 933 L CA -0.937 53.989 54.840 0.144 0.000 0.817 933 L CB 2.441 44.212 42.059 -0.481 0.000 1.338 933 L HN 0.584 nan 8.230 nan 0.000 0.414 934 E N 2.410 122.756 120.200 0.244 0.000 2.241 934 E HA 0.596 4.946 4.350 -0.000 0.000 0.263 934 E C -1.659 174.983 176.600 0.071 0.000 0.882 934 E CA -0.640 55.833 56.400 0.122 0.000 0.769 934 E CB 1.662 31.482 29.700 0.201 0.000 1.185 934 E HN 0.797 nan 8.360 nan 0.000 0.415 935 L N 3.761 124.998 121.223 0.024 0.000 2.312 935 L HA 0.444 4.784 4.340 -0.000 0.000 0.281 935 L C -0.391 176.612 176.870 0.222 0.000 1.070 935 L CA -0.752 54.168 54.840 0.133 0.000 0.805 935 L CB 1.017 43.208 42.059 0.220 0.000 1.174 935 L HN 0.510 nan 8.230 nan 0.000 0.434 936 D N 2.156 122.676 120.400 0.199 0.000 2.252 936 D HA 0.410 5.050 4.640 -0.000 0.000 0.245 936 D C -0.406 175.976 176.300 0.137 0.000 1.009 936 D CA -0.538 53.566 54.000 0.173 0.000 0.870 936 D CB 1.821 42.699 40.800 0.130 0.000 1.251 936 D HN 0.305 nan 8.370 nan 0.000 0.460 937 R N 0.773 121.331 120.500 0.097 0.000 2.287 937 R HA 0.542 4.881 4.340 -0.000 0.000 0.316 937 R C -0.275 176.031 176.300 0.008 0.000 1.050 937 R CA -0.566 55.535 56.100 0.002 0.000 0.983 937 R CB 1.252 31.502 30.300 -0.083 0.000 1.140 937 R HN 0.580 nan 8.270 nan 0.000 0.528 938 A N 2.220 125.047 122.820 0.011 0.000 2.687 938 A HA -0.194 4.126 4.320 -0.000 0.000 0.299 938 A C 1.258 178.860 177.584 0.030 0.000 1.497 938 A CA 1.022 53.069 52.037 0.016 0.000 0.751 938 A CB -1.966 17.034 19.000 -0.001 0.000 1.048 938 A HN 1.233 nan 8.150 nan 0.000 0.464 939 G N -2.420 106.409 108.800 0.049 0.000 2.253 939 G HA2 0.174 4.134 3.960 -0.000 0.000 0.251 939 G HA3 0.174 4.134 3.960 -0.000 0.000 0.251 939 G C 0.816 175.749 174.900 0.056 0.000 0.998 939 G CA 1.148 46.281 45.100 0.054 0.000 0.621 939 G HN 2.569 nan 8.290 nan 0.000 0.524 940 A N 1.476 124.329 122.820 0.054 0.000 2.269 940 A HA 0.723 5.043 4.320 -0.000 0.000 0.302 940 A C -1.983 175.658 177.584 0.095 0.000 1.266 940 A CA -1.219 50.853 52.037 0.059 0.000 0.894 940 A CB 0.615 19.642 19.000 0.045 0.000 1.147 940 A HN 0.137 nan 8.150 nan 0.000 0.537 941 P HA -0.018 nan 4.420 nan 0.000 0.261 941 P C -0.109 177.281 177.300 0.150 0.000 1.183 941 P CA 0.348 63.504 63.100 0.094 0.000 0.761 941 P CB 0.375 32.093 31.700 0.029 0.000 0.785 942 W N 6.288 127.570 121.300 -0.030 0.000 3.517 942 W HA 0.356 5.016 4.660 -0.000 0.000 0.234 942 W C -1.052 175.432 176.519 -0.057 0.000 0.972 942 W CA 0.440 57.761 57.345 -0.041 0.000 2.002 942 W CB -0.079 29.358 29.460 -0.038 0.000 1.018 942 W HN 0.160 nan 8.180 nan 0.000 0.712 943 L N 2.231 123.105 121.223 -0.581 0.000 2.385 943 L HA 0.539 4.878 4.340 -0.000 0.000 0.273 943 L C -0.495 176.109 176.870 -0.443 0.000 0.990 943 L CA -0.943 53.362 54.840 -0.892 0.000 0.821 943 L CB 1.673 42.801 42.059 -1.552 0.000 1.279 943 L HN 0.021 nan 8.230 nan 0.000 0.412 944 R N 4.853 125.136 120.500 -0.362 0.000 2.514 944 R HA 0.761 5.101 4.340 -0.000 0.000 0.301 944 R C -1.528 174.641 176.300 -0.220 0.000 0.962 944 R CA -0.486 55.474 56.100 -0.235 0.000 0.882 944 R CB 1.132 31.295 30.300 -0.227 0.000 1.143 944 R HN 0.727 nan 8.270 nan 0.000 0.452 945 I N 3.772 124.258 120.570 -0.140 0.000 2.410 945 I HA 0.262 4.432 4.170 -0.000 0.000 0.286 945 I C -0.653 175.476 176.117 0.020 0.000 1.009 945 I CA -0.749 60.483 61.300 -0.113 0.000 1.111 945 I CB 1.941 39.835 38.000 -0.177 0.000 1.262 945 I HN 0.510 nan 8.210 nan 0.000 0.443 946 D N 5.962 126.376 120.400 0.025 0.000 2.177 946 D HA 0.540 5.180 4.640 -0.000 0.000 0.247 946 D C -0.422 175.927 176.300 0.082 0.000 1.063 946 D CA -0.159 53.903 54.000 0.104 0.000 0.867 946 D CB 2.592 43.429 40.800 0.062 0.000 1.168 946 D HN 0.553 nan 8.370 nan 0.000 0.445 947 A N 2.703 125.594 122.820 0.118 0.000 2.331 947 A HA 0.431 4.751 4.320 -0.000 0.000 0.320 947 A C -0.253 177.389 177.584 0.096 0.000 1.138 947 A CA -0.714 51.378 52.037 0.092 0.000 0.790 947 A CB 1.093 20.152 19.000 0.098 0.000 1.206 947 A HN 0.486 nan 8.150 nan 0.000 0.470 948 E N 2.692 122.936 120.200 0.074 0.000 2.231 948 E HA 0.446 4.796 4.350 -0.000 0.000 0.277 948 E C -2.486 174.158 176.600 0.072 0.000 0.999 948 E CA -1.778 54.665 56.400 0.072 0.000 0.827 948 E CB 0.898 30.630 29.700 0.054 0.000 1.101 948 E HN 0.432 nan 8.360 nan 0.000 0.393 949 P HA -0.030 nan 4.420 nan 0.000 0.269 949 P C -0.750 176.585 177.300 0.059 0.000 1.215 949 P CA -0.256 62.888 63.100 0.074 0.000 0.780 949 P CB 0.459 32.206 31.700 0.080 0.000 0.898 950 D N 0.601 121.034 120.400 0.056 0.000 2.440 950 D HA 0.182 4.822 4.640 -0.000 0.000 0.269 950 D C 1.284 177.610 176.300 0.042 0.000 1.249 950 D CA -0.407 53.621 54.000 0.046 0.000 1.055 950 D CB -0.388 40.438 40.800 0.044 0.000 1.104 950 D HN 0.248 nan 8.370 nan 0.000 0.561 951 A N -0.352 122.489 122.820 0.036 0.000 1.948 951 A HA -0.022 4.298 4.320 -0.000 0.000 0.220 951 A C 2.116 179.721 177.584 0.034 0.000 1.177 951 A CA 2.519 54.576 52.037 0.033 0.000 0.636 951 A CB -1.352 17.665 19.000 0.028 0.000 0.815 951 A HN 0.721 nan 8.150 nan 0.000 0.449 952 A N -2.078 120.764 122.820 0.036 0.000 2.238 952 A HA 0.415 4.735 4.320 -0.000 0.000 0.208 952 A C 1.780 179.391 177.584 0.045 0.000 1.177 952 A CA 1.164 53.223 52.037 0.037 0.000 0.804 952 A CB -0.945 18.076 19.000 0.035 0.000 0.823 952 A HN 1.938 nan 8.150 nan 0.000 0.482 953 G N -0.719 108.112 108.800 0.051 0.000 2.157 953 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.248 953 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.248 953 G C 0.259 175.201 174.900 0.071 0.000 0.979 953 G CA 0.200 45.337 45.100 0.061 0.000 0.650 953 G HN 0.636 nan 8.290 nan 0.000 0.529 954 R N 0.299 120.839 120.500 0.066 0.000 2.441 954 R HA 0.606 4.946 4.340 -0.000 0.000 0.284 954 R C 0.592 176.937 176.300 0.076 0.000 1.070 954 R CA -0.301 55.842 56.100 0.071 0.000 1.047 954 R CB 0.720 31.060 30.300 0.065 0.000 1.016 954 R HN 0.294 nan 8.270 nan 0.000 0.477 955 R N 2.807 123.356 120.500 0.082 0.000 2.604 955 R HA 0.397 4.737 4.340 -0.000 0.000 0.287 955 R C -2.110 174.240 176.300 0.082 0.000 0.970 955 R CA -1.901 54.251 56.100 0.085 0.000 0.946 955 R CB 1.107 31.462 30.300 0.092 0.000 1.127 955 R HN 0.445 nan 8.270 nan 0.000 0.473 956 P HA 0.232 nan 4.420 nan 0.000 0.277 956 P C -0.460 176.889 177.300 0.082 0.000 1.271 956 P CA -0.349 62.812 63.100 0.101 0.000 0.795 956 P CB 0.878 32.645 31.700 0.111 0.000 1.101 957 G N -1.021 107.839 108.800 0.100 0.000 2.788 957 G HA2 0.750 4.710 3.960 -0.000 0.000 0.293 957 G HA3 0.750 4.710 3.960 -0.000 0.000 0.293 957 G C -1.594 173.335 174.900 0.049 0.000 1.305 957 G CA -0.879 44.165 45.100 -0.094 0.000 1.005 957 G HN 0.578 nan 8.290 nan 0.000 0.496 958 F N -1.378 118.394 119.950 -0.298 0.000 2.643 958 F HA 0.862 5.389 4.527 -0.000 0.000 0.314 958 F C -0.560 175.152 175.800 -0.146 0.000 1.096 958 F CA -1.206 56.724 58.000 -0.117 0.000 0.953 958 F CB 1.813 40.741 39.000 -0.120 0.000 1.345 958 F HN 0.474 nan 8.300 nan 0.000 0.468 959 S N 1.830 117.579 115.700 0.082 0.000 2.569 959 S HA 0.778 5.248 4.470 -0.000 0.000 0.280 959 S C -1.924 172.878 174.600 0.336 0.000 1.111 959 S CA -0.649 57.552 58.200 0.002 0.000 0.887 959 S CB 2.002 65.247 63.200 0.075 0.000 1.095 959 S HN 0.860 nan 8.310 nan 0.000 0.476 960 L N 2.063 123.442 121.223 0.260 0.000 2.381 960 L HA 0.907 5.246 4.340 -0.000 0.000 0.274 960 L C -0.695 176.325 176.870 0.250 0.000 0.988 960 L CA -0.119 54.904 54.840 0.305 0.000 0.824 960 L CB 1.166 43.398 42.059 0.288 0.000 1.263 960 L HN 0.898 nan 8.230 nan 0.000 0.410 961 A N 4.407 127.414 122.820 0.311 0.000 2.515 961 A HA 0.695 5.015 4.320 -0.000 0.000 0.296 961 A C 0.207 177.954 177.584 0.271 0.000 1.094 961 A CA -0.686 51.527 52.037 0.294 0.000 0.718 961 A CB 1.463 20.679 19.000 0.361 0.000 1.307 961 A HN 0.779 nan 8.150 nan 0.000 0.408 962 R N -0.437 120.169 120.500 0.178 0.000 2.297 962 R HA 0.165 4.505 4.340 -0.000 0.000 0.197 962 R C -0.589 175.597 176.300 -0.190 0.000 0.943 962 R CA 0.679 56.752 56.100 -0.044 0.000 1.038 962 R CB -0.037 30.155 30.300 -0.181 0.000 0.957 962 R HN 0.794 nan 8.270 nan 0.000 0.484 963 H N -1.811 117.508 119.070 0.415 0.000 3.016 963 H HA 0.135 4.691 4.556 -0.000 0.000 0.362 963 H C -0.384 175.025 175.328 0.134 0.000 1.233 963 H CA -0.788 55.455 56.048 0.325 0.000 1.124 963 H CB 1.422 31.293 29.762 0.183 0.000 1.850 963 H HN -0.057 nan 8.280 nan 0.000 0.549 964 T N -1.174 113.352 114.554 -0.048 0.000 2.860 964 T HA 0.314 4.664 4.350 -0.000 0.000 0.299 964 T C 1.527 176.301 174.700 0.123 0.000 1.045 964 T CA -0.187 61.837 62.100 -0.126 0.000 1.071 964 T CB 1.145 69.866 68.868 -0.245 0.000 0.985 964 T HN 0.743 nan 8.240 nan 0.000 0.537 965 A N 1.110 124.031 122.820 0.168 0.000 1.986 965 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 965 A C 2.386 180.178 177.584 0.348 0.000 1.171 965 A CA 1.907 54.029 52.037 0.141 0.000 0.640 965 A CB -1.017 17.999 19.000 0.027 0.000 0.811 965 A HN 0.880 nan 8.150 nan 0.000 0.451 966 Q N -0.346 119.637 119.800 0.304 0.000 2.049 966 Q HA -0.112 4.228 4.340 -0.000 0.000 0.198 966 Q C 1.963 178.043 176.000 0.132 0.000 0.971 966 Q CA 1.792 57.709 55.803 0.191 0.000 0.833 966 Q CB -0.222 28.494 28.738 -0.036 0.000 0.896 966 Q HN 0.805 nan 8.270 nan 0.000 0.434 967 E N 0.114 120.371 120.200 0.094 0.000 2.072 967 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 967 E C 1.915 178.539 176.600 0.039 0.000 0.985 967 E CA 0.938 57.375 56.400 0.062 0.000 0.801 967 E CB -0.142 29.610 29.700 0.087 0.000 0.750 967 E HN 0.336 nan 8.360 nan 0.000 0.452 968 I N 1.352 121.967 120.570 0.075 0.000 2.179 968 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 968 I C 2.546 178.700 176.117 0.063 0.000 1.088 968 I CA 1.073 62.401 61.300 0.046 0.000 1.357 968 I CB -0.303 37.740 38.000 0.071 0.000 1.051 968 I HN 0.081 nan 8.210 nan 0.000 0.409 969 A N 0.515 123.421 122.820 0.144 0.000 1.972 969 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 969 A C 2.404 180.068 177.584 0.132 0.000 1.169 969 A CA 1.790 53.939 52.037 0.186 0.000 0.635 969 A CB -0.684 18.583 19.000 0.444 0.000 0.810 969 A HN 0.453 nan 8.150 nan 0.000 0.446 970 A N -0.976 121.901 122.820 0.094 0.000 2.169 970 A HA 0.563 4.882 4.320 -0.000 0.000 0.212 970 A C 1.260 178.855 177.584 0.019 0.000 1.153 970 A CA 0.793 52.862 52.037 0.052 0.000 0.756 970 A CB -0.506 18.513 19.000 0.032 0.000 0.813 970 A HN 0.953 nan 8.150 nan 0.000 0.471 971 A N -0.453 122.366 122.820 -0.002 0.000 2.274 971 A HA 0.545 4.865 4.320 -0.000 0.000 0.309 971 A C 1.277 178.845 177.584 -0.027 0.000 1.226 971 A CA 0.062 52.076 52.037 -0.039 0.000 0.853 971 A CB 0.576 19.525 19.000 -0.085 0.000 1.146 971 A HN 0.517 nan 8.150 nan 0.000 0.518 972 G N 0.786 109.574 108.800 -0.021 0.000 2.511 972 G HA2 0.267 4.227 3.960 -0.000 0.000 0.217 972 G HA3 0.267 4.227 3.960 -0.000 0.000 0.217 972 G C 0.376 175.125 174.900 -0.250 0.000 1.133 972 G CA 0.712 45.784 45.100 -0.048 0.000 0.792 972 G HN 0.813 nan 8.290 nan 0.000 0.539 973 H N -2.152 116.844 119.070 -0.123 0.000 2.961 973 H HA 0.363 4.919 4.556 -0.000 0.000 0.371 973 H C -1.955 173.258 175.328 -0.191 0.000 1.190 973 H CA -1.638 54.330 56.048 -0.133 0.000 1.138 973 H CB 1.919 31.465 29.762 -0.360 0.000 1.816 973 H HN -0.230 nan 8.280 nan 0.000 0.551 974 P HA -0.239 nan 4.420 nan 0.000 0.216 974 P C 1.286 178.578 177.300 -0.014 0.000 1.154 974 P CA 1.679 64.806 63.100 0.046 0.000 0.865 974 P CB 0.076 31.853 31.700 0.128 0.000 0.789 975 H N -0.690 118.380 119.070 -0.001 0.000 2.546 975 H HA 0.077 4.633 4.556 -0.000 0.000 0.277 975 H C 1.002 176.277 175.328 -0.089 0.000 1.004 975 H CA 0.818 56.828 56.048 -0.062 0.000 1.231 975 H CB -0.532 29.150 29.762 -0.133 0.000 1.382 975 H HN 0.239 nan 8.280 nan 0.000 0.580 976 E N 0.874 120.766 120.200 -0.512 0.000 2.478 976 E HA 0.174 4.524 4.350 -0.000 0.000 0.194 976 E C 0.213 176.712 176.600 -0.169 0.000 1.045 976 E CA -0.302 55.899 56.400 -0.332 0.000 0.868 976 E CB 0.414 29.903 29.700 -0.352 0.000 0.885 976 E HN 0.393 nan 8.360 nan 0.000 0.505 977 L N 2.938 124.061 121.223 -0.167 0.000 2.397 977 L HA 0.177 4.517 4.340 -0.000 0.000 0.271 977 L C -1.700 175.123 176.870 -0.077 0.000 1.148 977 L CA -1.810 52.897 54.840 -0.221 0.000 0.825 977 L CB 0.014 41.800 42.059 -0.455 0.000 1.117 977 L HN -0.046 nan 8.230 nan 0.000 0.456 978 P HA 0.088 nan 4.420 nan 0.000 0.274 978 P C -0.635 176.802 177.300 0.228 0.000 1.256 978 P CA -0.528 62.633 63.100 0.101 0.000 0.795 978 P CB 0.259 32.026 31.700 0.111 0.000 1.038 979 T N 2.383 117.027 114.554 0.150 0.000 2.867 979 T HA 0.192 4.541 4.350 -0.000 0.000 0.297 979 T C -1.993 172.783 174.700 0.127 0.000 0.989 979 T CA -0.382 61.795 62.100 0.127 0.000 1.159 979 T CB -0.896 68.010 68.868 0.063 0.000 0.928 979 T HN 0.354 nan 8.240 nan 0.000 0.538 980 P HA 0.153 nan 4.420 nan 0.000 0.268 980 P C 0.376 177.643 177.300 -0.053 0.000 1.205 980 P CA -0.276 62.789 63.100 -0.057 0.000 0.771 980 P CB 0.587 32.180 31.700 -0.178 0.000 0.858 981 S N -0.140 115.528 115.700 -0.054 0.000 2.549 981 S HA 0.151 4.621 4.470 -0.000 0.000 0.225 981 S C 0.471 174.768 174.600 -0.504 0.000 1.039 981 S CA 0.010 58.094 58.200 -0.193 0.000 0.942 981 S CB -0.132 63.008 63.200 -0.101 0.000 0.881 981 S HN 0.464 nan 8.310 nan 0.000 0.503 982 H N 0.382 119.336 119.070 -0.194 0.000 2.985 982 H HA 0.592 5.148 4.556 -0.000 0.000 0.360 982 H C -1.082 173.964 175.328 -0.470 0.000 1.221 982 H CA -0.634 55.162 56.048 -0.421 0.000 1.121 982 H CB 1.874 31.162 29.762 -0.791 0.000 1.854 982 H HN 0.089 nan 8.280 nan 0.000 0.551 983 S N 0.620 116.151 115.700 -0.281 0.000 2.578 983 S HA 0.462 4.932 4.470 -0.000 0.000 0.283 983 S C -0.995 173.394 174.600 -0.351 0.000 1.195 983 S CA -0.549 57.527 58.200 -0.207 0.000 1.050 983 S CB 0.558 63.718 63.200 -0.067 0.000 1.012 983 S HN 0.304 nan 8.310 nan 0.000 0.511 984 Y N 1.406 121.777 120.300 0.118 0.000 2.350 984 Y HA 0.540 5.090 4.550 -0.000 0.000 0.338 984 Y C -0.366 175.607 175.900 0.121 0.000 0.961 984 Y CA -0.936 57.205 58.100 0.068 0.000 1.100 984 Y CB 1.227 39.704 38.460 0.029 0.000 1.179 984 Y HN 0.451 nan 8.280 nan 0.000 0.454 985 L N 4.542 125.913 121.223 0.247 0.000 2.272 985 L HA 0.527 4.867 4.340 -0.000 0.000 0.289 985 L C -1.786 175.247 176.870 0.271 0.000 1.032 985 L CA -0.715 54.307 54.840 0.303 0.000 0.810 985 L CB 0.186 42.393 42.059 0.246 0.000 1.205 985 L HN 0.470 nan 8.230 nan 0.000 0.422 986 Y N 4.221 124.713 120.300 0.321 0.000 2.331 986 Y HA 0.525 5.074 4.550 -0.000 0.000 0.338 986 Y C -0.108 175.962 175.900 0.282 0.000 0.976 986 Y CA -0.605 57.652 58.100 0.262 0.000 1.137 986 Y CB 1.799 40.353 38.460 0.158 0.000 1.172 986 Y HN 0.296 nan 8.280 nan 0.000 0.478 987 V N 4.680 124.845 119.914 0.417 0.000 2.333 987 V HA 0.233 4.353 4.120 -0.000 0.000 0.274 987 V C -0.585 175.657 176.094 0.246 0.000 1.028 987 V CA -0.745 61.756 62.300 0.335 0.000 0.851 987 V CB 0.865 32.893 31.823 0.342 0.000 1.000 987 V HN 0.650 nan 8.190 nan 0.000 0.456 988 D N 3.775 124.311 120.400 0.227 0.000 2.303 988 D HA 0.481 5.121 4.640 -0.000 0.000 0.236 988 D C 0.830 177.208 176.300 0.129 0.000 1.068 988 D CA -0.198 53.893 54.000 0.151 0.000 0.830 988 D CB 2.316 43.185 40.800 0.114 0.000 1.109 988 D HN 0.516 nan 8.370 nan 0.000 0.496 989 A N 2.112 124.980 122.820 0.080 0.000 1.930 989 A HA 0.303 4.623 4.320 -0.000 0.000 0.217 989 A C 0.871 178.494 177.584 0.065 0.000 1.175 989 A CA 1.312 53.391 52.037 0.071 0.000 0.627 989 A CB 0.174 19.204 19.000 0.051 0.000 0.815 989 A HN 0.585 nan 8.150 nan 0.000 0.443 990 A N -1.304 121.537 122.820 0.035 0.000 2.549 990 A HA 0.653 4.973 4.320 -0.000 0.000 0.297 990 A C -1.142 176.407 177.584 -0.059 0.000 1.061 990 A CA -0.575 51.474 52.037 0.020 0.000 0.690 990 A CB 1.159 20.191 19.000 0.053 0.000 1.287 990 A HN 0.146 nan 8.150 nan 0.000 0.402 991 Q N 0.707 120.452 119.800 -0.091 0.000 2.375 991 Q HA 0.302 4.642 4.340 -0.000 0.000 0.271 991 Q C -1.224 174.823 176.000 0.079 0.000 1.074 991 Q CA -0.693 55.040 55.803 -0.116 0.000 0.808 991 Q CB 2.203 30.719 28.738 -0.369 0.000 1.327 991 Q HN 0.918 nan 8.270 nan 0.000 0.441 992 H N 0.254 119.330 119.070 0.010 0.000 2.771 992 H HA 0.286 4.842 4.556 0.000 0.000 0.364 992 H C 0.400 175.801 175.328 0.122 0.000 1.133 992 H CA 1.006 57.108 56.048 0.090 0.000 1.423 992 H CB 0.731 30.566 29.762 0.122 0.000 1.425 992 H HN 0.759 nan 8.280 nan 0.000 0.606 993 G N 2.614 111.230 108.800 -0.307 0.000 2.611 993 G HA2 0.204 4.164 3.960 -0.000 0.000 0.273 993 G HA3 0.204 4.164 3.960 -0.000 0.000 0.273 993 G C 0.659 175.362 174.900 -0.328 0.000 1.305 993 G CA -0.201 44.781 45.100 -0.196 0.000 1.010 993 G HN 0.658 nan 8.290 nan 0.000 0.509 994 L N 0.065 121.168 121.223 -0.199 0.000 2.362 994 L HA 0.298 4.638 4.340 -0.000 0.000 0.204 994 L C 2.050 178.838 176.870 -0.136 0.000 1.060 994 L CA 0.702 55.413 54.840 -0.214 0.000 0.827 994 L CB -0.999 40.924 42.059 -0.226 0.000 1.027 994 L HN 0.947 nan 8.230 nan 0.000 0.474 995 G N 1.124 109.887 108.800 -0.062 0.000 2.578 995 G HA2 -0.346 3.613 3.960 -0.000 0.000 0.275 995 G HA3 -0.346 3.613 3.960 -0.000 0.000 0.275 995 G C 0.293 175.175 174.900 -0.029 0.000 1.271 995 G CA 0.304 45.407 45.100 0.004 0.000 0.941 995 G HN 0.591 nan 8.290 nan 0.000 0.564 996 S N -1.986 113.687 115.700 -0.046 0.000 2.924 996 S HA 0.375 4.845 4.470 -0.000 0.000 0.244 996 S C 0.890 175.406 174.600 -0.141 0.000 0.842 996 S CA 0.880 59.039 58.200 -0.067 0.000 1.086 996 S CB 0.680 63.872 63.200 -0.012 0.000 1.295 996 S HN 0.928 nan 8.310 nan 0.000 0.500 997 R N 1.172 121.590 120.500 -0.137 0.000 2.285 997 R HA 0.138 4.478 4.340 -0.000 0.000 0.213 997 R C 2.057 178.276 176.300 -0.137 0.000 1.068 997 R CA 1.131 57.138 56.100 -0.156 0.000 1.004 997 R CB -0.495 29.736 30.300 -0.115 0.000 0.873 997 R HN 0.609 nan 8.270 nan 0.000 0.467 998 A N -0.190 122.560 122.820 -0.117 0.000 1.978 998 A HA -0.155 4.165 4.320 -0.000 0.000 0.220 998 A C 1.065 178.526 177.584 -0.204 0.000 1.170 998 A CA 1.366 53.366 52.037 -0.061 0.000 0.636 998 A CB -0.224 18.759 19.000 -0.029 0.000 0.810 998 A HN 0.451 nan 8.150 nan 0.000 0.448 999 C N -1.568 117.455 119.300 -0.462 0.000 3.277 999 C HA 0.590 5.050 4.460 -0.000 0.000 0.352 999 C C 0.059 174.635 174.990 -0.689 0.000 0.998 999 C CA 0.322 58.915 59.018 -0.709 0.000 1.303 999 C CB -0.433 26.509 27.740 -1.330 0.000 1.698 999 C HN 1.638 nan 8.230 nan 0.000 0.574 1000 G N 5.315 113.813 108.800 -0.505 0.000 2.369 1000 G HA2 0.277 4.237 3.960 -0.000 0.000 0.295 1000 G HA3 0.277 4.237 3.960 -0.000 0.000 0.295 1000 G C -3.519 170.663 174.900 -1.198 0.000 1.298 1000 G CA -0.713 43.928 45.100 -0.766 0.000 0.940 1000 G HN 0.340 nan 8.290 nan 0.000 0.536 1001 P HA 0.245 nan 4.420 nan 0.000 0.267 1001 P C -0.186 176.947 177.300 -0.278 0.000 1.200 1001 P CA 0.001 62.690 63.100 -0.684 0.000 0.772 1001 P CB 0.585 32.228 31.700 -0.094 0.000 0.855 1002 D N 1.303 121.535 120.400 -0.279 0.000 2.354 1002 D HA -0.021 4.619 4.640 -0.000 0.000 0.238 1002 D C -0.252 176.166 176.300 0.196 0.000 1.250 1002 D CA -0.055 53.888 54.000 -0.096 0.000 0.911 1002 D CB 0.457 41.124 40.800 -0.221 0.000 1.163 1002 D HN -0.044 nan 8.370 nan 0.000 0.456 1003 V N 2.877 122.910 119.914 0.199 0.000 2.584 1003 V HA -0.133 3.987 4.120 -0.000 0.000 0.303 1003 V C 0.604 176.984 176.094 0.477 0.000 1.035 1003 V CA -0.067 62.392 62.300 0.265 0.000 1.172 1003 V CB 0.061 31.933 31.823 0.083 0.000 0.896 1003 V HN 0.436 nan 8.190 nan 0.000 0.486 1004 W N 7.491 128.971 121.300 0.299 0.000 2.210 1004 W HA 0.117 4.777 4.660 0.000 0.000 0.330 1004 W C -1.740 174.851 176.519 0.120 0.000 1.334 1004 W CA -1.808 55.654 57.345 0.195 0.000 1.227 1004 W CB 1.182 30.787 29.460 0.242 0.000 1.178 1004 W HN 0.562 nan 8.180 nan 0.000 0.560 1005 P HA -0.224 nan 4.420 nan 0.000 0.217 1005 P C 0.701 177.824 177.300 -0.295 0.000 1.148 1005 P CA 2.130 65.009 63.100 -0.368 0.000 0.828 1005 P CB 0.206 31.574 31.700 -0.553 0.000 0.783 1006 D N -1.984 118.138 120.400 -0.463 0.000 2.265 1006 D HA -0.128 4.512 4.640 -0.000 0.000 0.208 1006 D C 0.845 176.772 176.300 -0.621 0.000 0.977 1006 D CA 1.088 54.739 54.000 -0.582 0.000 0.871 1006 D CB -0.576 39.748 40.800 -0.795 0.000 0.925 1006 D HN 0.338 nan 8.370 nan 0.000 0.485 1007 F N -0.439 119.581 119.950 0.117 0.000 2.688 1007 F HA 0.430 4.957 4.527 -0.000 0.000 0.310 1007 F C 0.778 176.634 175.800 0.093 0.000 1.098 1007 F CA -0.654 57.411 58.000 0.108 0.000 1.228 1007 F CB 0.465 39.540 39.000 0.124 0.000 1.042 1007 F HN -0.192 nan 8.300 nan 0.000 0.557 1008 A N 1.411 124.367 122.820 0.226 0.000 2.331 1008 A HA 0.555 4.875 4.320 -0.000 0.000 0.283 1008 A C -0.809 176.956 177.584 0.302 0.000 1.142 1008 A CA -0.418 51.834 52.037 0.358 0.000 0.812 1008 A CB 0.570 19.759 19.000 0.315 0.000 1.074 1008 A HN 0.220 nan 8.150 nan 0.000 0.497 1009 L N 3.540 125.033 121.223 0.449 0.000 2.260 1009 L HA 0.429 4.769 4.340 -0.000 0.000 0.289 1009 L C 0.081 176.965 176.870 0.022 0.000 1.057 1009 L CA 0.186 55.140 54.840 0.190 0.000 0.811 1009 L CB 0.247 42.434 42.059 0.212 0.000 1.184 1009 L HN 0.671 nan 8.230 nan 0.000 0.429 1010 R N 4.808 125.267 120.500 -0.069 0.000 2.787 1010 R HA 0.529 4.869 4.340 -0.000 0.000 0.271 1010 R C -2.452 173.581 176.300 -0.445 0.000 0.993 1010 R CA -2.283 53.678 56.100 -0.231 0.000 0.993 1010 R CB 0.882 31.083 30.300 -0.165 0.000 1.155 1010 R HN 0.408 nan 8.270 nan 0.000 0.486 1011 P HA -0.071 nan 4.420 nan 0.000 0.260 1011 P C -0.648 176.295 177.300 -0.594 0.000 1.172 1011 P CA 0.758 63.036 63.100 -1.371 0.000 0.760 1011 P CB 0.350 31.237 31.700 -1.356 0.000 0.773 1012 E N 1.709 121.676 120.200 -0.389 0.000 2.430 1012 E HA 0.730 5.080 4.350 -0.000 0.000 0.279 1012 E C -1.483 175.114 176.600 -0.005 0.000 1.003 1012 E CA -1.488 54.834 56.400 -0.131 0.000 0.801 1012 E CB 1.358 31.016 29.700 -0.070 0.000 1.313 1012 E HN 0.231 nan 8.360 nan 0.000 0.459 1013 A N 1.631 124.461 122.820 0.017 0.000 2.327 1013 A HA 0.672 4.992 4.320 -0.000 0.000 0.283 1013 A C -0.443 177.167 177.584 0.045 0.000 1.127 1013 A CA -0.576 51.491 52.037 0.050 0.000 0.810 1013 A CB 0.453 19.480 19.000 0.046 0.000 1.066 1013 A HN 0.456 nan 8.150 nan 0.000 0.492 1014 R N 0.442 120.971 120.500 0.048 0.000 2.740 1014 R HA 0.664 5.004 4.340 -0.000 0.000 0.273 1014 R C -1.342 174.977 176.300 0.031 0.000 0.998 1014 R CA -0.492 55.632 56.100 0.040 0.000 0.900 1014 R CB 1.826 32.153 30.300 0.045 0.000 1.223 1014 R HN 0.700 nan 8.270 nan 0.000 0.466 1015 T N 2.213 116.785 114.554 0.030 0.000 2.824 1015 T HA 0.561 4.911 4.350 -0.000 0.000 0.282 1015 T C -0.170 174.546 174.700 0.026 0.000 0.993 1015 T CA -0.573 61.541 62.100 0.023 0.000 0.967 1015 T CB 1.362 70.244 68.868 0.023 0.000 0.960 1015 T HN 0.197 nan 8.240 nan 0.000 0.441 1016 L N 3.255 124.489 121.223 0.018 0.000 2.295 1016 L HA 0.563 4.903 4.340 -0.000 0.000 0.285 1016 L C 0.078 176.956 176.870 0.013 0.000 1.035 1016 L CA -0.759 54.098 54.840 0.028 0.000 0.806 1016 L CB 1.234 43.318 42.059 0.040 0.000 1.214 1016 L HN 0.404 nan 8.230 nan 0.000 0.426 1017 K N 5.110 125.523 120.400 0.023 0.000 2.507 1017 K HA 0.631 4.951 4.320 -0.000 0.000 0.253 1017 K C -1.314 175.295 176.600 0.015 0.000 0.969 1017 K CA -0.207 56.087 56.287 0.011 0.000 0.908 1017 K CB 1.367 33.880 32.500 0.021 0.000 1.127 1017 K HN 0.394 nan 8.250 nan 0.000 0.437 1018 L N 2.332 123.550 121.223 -0.009 0.000 2.354 1018 L HA 0.609 4.949 4.340 -0.000 0.000 0.269 1018 L C -0.194 176.661 176.870 -0.025 0.000 1.005 1018 L CA -1.125 53.708 54.840 -0.012 0.000 0.819 1018 L CB 1.950 43.998 42.059 -0.019 0.000 1.311 1018 L HN 0.358 nan 8.230 nan 0.000 0.423 1019 R N 2.416 122.904 120.500 -0.020 0.000 2.494 1019 R HA 0.703 5.043 4.340 -0.000 0.000 0.305 1019 R C -1.230 175.036 176.300 -0.057 0.000 0.959 1019 R CA -0.593 55.493 56.100 -0.024 0.000 0.864 1019 R CB 2.213 32.505 30.300 -0.013 0.000 1.159 1019 R HN 0.489 nan 8.270 nan 0.000 0.446 1020 I N 1.964 122.501 120.570 -0.055 0.000 2.406 1020 I HA 0.330 4.500 4.170 -0.000 0.000 0.290 1020 I C -0.166 175.887 176.117 -0.107 0.000 0.999 1020 I CA -0.313 60.919 61.300 -0.113 0.000 1.124 1020 I CB 2.004 39.946 38.000 -0.098 0.000 1.289 1020 I HN 0.675 nan 8.210 nan 0.000 0.441 1021 S N 6.282 121.879 115.700 -0.171 0.000 2.588 1021 S HA 0.679 5.149 4.470 -0.000 0.000 0.275 1021 S C -3.056 171.401 174.600 -0.238 0.000 1.130 1021 S CA -1.592 56.510 58.200 -0.163 0.000 0.855 1021 S CB 2.204 65.325 63.200 -0.132 0.000 1.116 1021 S HN 0.256 nan 8.310 nan 0.000 0.472 1022 P HA 0.365 nan 4.420 nan 0.000 0.271 1022 P C -0.138 177.043 177.300 -0.198 0.000 1.216 1022 P CA -0.032 62.931 63.100 -0.227 0.000 0.776 1022 P CB 0.488 32.111 31.700 -0.128 0.000 0.881 1023 A N 0.000 122.699 122.820 -0.201 0.000 2.254 1023 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 1023 A CA 0.000 51.938 52.037 -0.165 0.000 0.836 1023 A CB 0.000 18.919 19.000 -0.135 0.000 0.831 1023 A HN 0.000 nan 8.150 nan 0.000 0.486