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_A DATA FIRST_RESID 4 DATA SEQUENCE ADVSYLTDQG PGSGRRVPAR SWLHSDAPAL SLNGDWRFRL LPAAPGTAGA DATA SEQUENCE GSVLPSGETV EGVAAESYDD AAWDTLPVPS HWVMGQDGKY GRPIYTNVQY DATA SEQUENCE PFPIDPPHVP DANPTGDFRR RFDVPAQWFE STTAALTLRF DGVESRYKVW DATA SEQUENCE VNGQEIGVGS GSRLAQEFDV SDALRAGSNL LVVRVHQWSA ASYLEDQDQW DATA SEQUENCE WLPGIFRDVT LQARPAGGIT DAWLRTGWSA RSGAGTGTID PEITADATAF DATA SEQUENCE PVTLSVPELG VNVTWKSAEE VAPLALENVE PWSAEVPRLY EASVSSAAES DATA SEQUENCE ISVRLGFRTV RIVGDQFLVN GRRVVFHGVN RHETHPDRGR VFDEAGARED DATA SEQUENCE LALMKRFNVN AIRTSHYPPH PRLLDLADEM GFWVILECDL ETHGFEAGGW DATA SEQUENCE VENPSDVPAW RDALVDRMER TVERDKNHPS IVMWSLGNES GTGSNLAAMA DATA SEQUENCE AWAHARDSSR PVHYEGDYTG AYTDVYSRMY SSIPETDSIG RNDSHALLLG DATA SEQUENCE CDSAESARQR TKPFILCEYV HAMGNGPGAM DQYEALVDKY PRLHGGFVWE DATA SEQUENCE WRDHGIRTRT AEGMEFFAYG GDFGEVVHDS NFVMDGMVLS DSTPTPGLYE DATA SEQUENCE FKQIVSPIRL GLSLPAGGKP TLAVANLRHT ADASDVVLRW RVEHDGAVAA DATA SEQUENCE SGEVAAEGSD GPLRAGESAT IALPAMPAAP LGETWLTVEA VLRDATGWAP DATA SEQUENCE AGHPLGAVQL DLSAPAVPTR SPRPATPLDG ALPVSLGPAT FDAGTLVSLA DATA SEQUENCE GQPVSGPRLE LWRAPTDNDR GAGFGAYGPG DPWLNSGRGV PAPSSEAVWK DATA SEQUENCE QAGLDRLTRR VEDVAALPDG IRVRTRYAAA DSTHSVAVEE NWQLDGGELC DATA SEQUENCE LRIDITPSAG WNLVWPRIGV RWDLPTDVDG AAWFGAGPRE SYPDSMHATM DATA SEQUENCE VARHAASLEE LNVPYARPQE TGHRSDVRWL ELDRAGAPWL RIDAEPDAAG DATA SEQUENCE RRPGFSLARH TAQEIAAAGH PHELPTPSHS YLYVDAAQHG LGSRACGPDV DATA SEQUENCE WPDFALRPEA RTLKLRISPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.650 177.584 0.109 0.000 1.274 4 A CA 0.000 52.096 52.037 0.098 0.000 0.836 4 A CB 0.000 19.075 19.000 0.124 0.000 0.831 5 D N 1.553 122.030 120.400 0.128 0.000 2.274 5 D HA 0.383 5.117 4.640 0.156 0.000 0.239 5 D C 0.792 177.217 176.300 0.209 0.000 1.104 5 D CA 0.402 54.479 54.000 0.128 0.000 0.840 5 D CB 1.682 42.543 40.800 0.101 0.000 1.100 5 D HN 0.953 nan 8.370 nan 0.000 0.477 6 V N 1.690 121.690 119.914 0.143 0.000 3.376 6 V HA 0.064 4.278 4.120 0.156 0.000 0.313 6 V C 1.740 177.765 176.094 -0.115 0.000 1.393 6 V CA 0.515 62.859 62.300 0.074 0.000 1.125 6 V CB -0.330 31.489 31.823 -0.006 0.000 1.037 6 V HN 0.494 nan 8.190 nan 0.000 0.440 7 S N 1.292 116.990 115.700 -0.003 0.000 2.440 7 S HA -0.278 4.285 4.470 0.156 0.000 0.238 7 S C 1.855 176.410 174.600 -0.076 0.000 1.010 7 S CA 1.519 59.689 58.200 -0.051 0.000 0.972 7 S CB -1.172 62.021 63.200 -0.011 0.000 0.774 7 S HN 0.984 nan 8.310 nan 0.000 0.501 8 Y N 0.966 121.240 120.300 -0.043 0.000 2.384 8 Y HA 0.082 4.726 4.550 0.156 0.000 0.289 8 Y C 2.000 177.864 175.900 -0.060 0.000 1.152 8 Y CA 0.578 58.644 58.100 -0.056 0.000 1.258 8 Y CB -0.760 37.668 38.460 -0.055 0.000 0.979 8 Y HN 0.286 nan 8.280 nan 0.000 0.549 9 L N 1.425 122.193 121.223 -0.758 0.000 2.093 9 L HA -0.065 4.368 4.340 0.156 0.000 0.208 9 L C 2.065 178.784 176.870 -0.252 0.000 1.085 9 L CA 2.446 56.917 54.840 -0.615 0.000 0.755 9 L CB -0.909 40.710 42.059 -0.733 0.000 0.904 9 L HN 0.596 nan 8.230 nan 0.000 0.435 10 T N -4.825 109.601 114.554 -0.214 0.000 3.044 10 T HA 0.155 4.598 4.350 0.156 0.000 0.260 10 T C 0.486 175.068 174.700 -0.197 0.000 1.019 10 T CA -0.306 61.692 62.100 -0.169 0.000 0.921 10 T CB -0.522 68.231 68.868 -0.191 0.000 1.053 10 T HN 0.231 nan 8.240 nan 0.000 0.533 11 D N 1.749 122.055 120.400 -0.157 0.000 2.455 11 D HA 0.084 4.817 4.640 0.156 0.000 0.241 11 D C 0.934 177.094 176.300 -0.234 0.000 1.138 11 D CA 0.209 54.104 54.000 -0.174 0.000 0.877 11 D CB 0.878 41.625 40.800 -0.088 0.000 1.187 11 D HN 0.253 nan 8.370 nan 0.000 0.451 12 Q N 1.734 121.300 119.800 -0.390 0.000 2.280 12 Q HA 0.238 4.671 4.340 0.156 0.000 0.201 12 Q C 0.790 176.632 176.000 -0.264 0.000 0.890 12 Q CA -0.304 55.138 55.803 -0.603 0.000 0.947 12 Q CB 1.141 29.133 28.738 -1.244 0.000 1.081 12 Q HN 0.527 nan 8.270 nan 0.000 0.502 13 G N 1.310 110.016 108.800 -0.156 0.000 2.588 13 G HA2 0.171 4.224 3.960 0.156 0.000 0.281 13 G HA3 0.171 4.224 3.960 0.156 0.000 0.281 13 G C -1.779 173.102 174.900 -0.031 0.000 1.236 13 G CA -1.024 44.026 45.100 -0.084 0.000 0.969 13 G HN -0.032 nan 8.290 nan 0.000 0.504 14 P HA 0.182 nan 4.420 nan 0.000 0.237 14 P C 0.728 178.004 177.300 -0.039 0.000 1.178 14 P CA 1.190 64.269 63.100 -0.035 0.000 0.766 14 P CB 0.352 32.010 31.700 -0.071 0.000 0.876 15 G N -0.572 108.206 108.800 -0.037 0.000 2.347 15 G HA2 0.282 4.335 3.960 0.156 0.000 0.477 15 G HA3 0.282 4.335 3.960 0.156 0.000 0.477 15 G C -1.133 173.749 174.900 -0.031 0.000 1.349 15 G CA -0.179 44.896 45.100 -0.041 0.000 1.000 15 G HN 0.390 nan 8.290 nan 0.000 0.605 16 S N -1.161 114.531 115.700 -0.013 0.000 2.671 16 S HA 1.097 5.661 4.470 0.156 0.000 0.277 16 S C 0.643 175.265 174.600 0.037 0.000 1.165 16 S CA 0.598 58.793 58.200 -0.008 0.000 0.822 16 S CB 1.512 64.692 63.200 -0.033 0.000 1.150 16 S HN 3.134 nan 8.310 nan 0.000 0.479 17 G N 1.185 109.999 108.800 0.024 0.000 2.482 17 G HA2 -0.116 3.937 3.960 0.156 0.000 0.214 17 G HA3 -0.116 3.937 3.960 0.156 0.000 0.214 17 G C -0.781 174.186 174.900 0.111 0.000 1.271 17 G CA -0.507 44.622 45.100 0.048 0.000 0.944 17 G HN 0.898 nan 8.290 nan 0.000 0.568 18 R N 1.156 121.766 120.500 0.184 0.000 4.556 18 R HA 0.204 4.637 4.340 0.156 0.000 0.197 18 R C 0.674 177.099 176.300 0.210 0.000 1.791 18 R CA -0.126 56.081 56.100 0.179 0.000 1.526 18 R CB -0.113 30.286 30.300 0.166 0.000 1.410 18 R HN 0.326 nan 8.270 nan 0.000 0.826 19 R N 0.490 121.041 120.500 0.085 0.000 2.438 19 R HA 0.172 4.605 4.340 0.156 0.000 0.287 19 R C -0.046 176.203 176.300 -0.085 0.000 1.077 19 R CA -0.287 55.756 56.100 -0.094 0.000 1.034 19 R CB 1.060 31.284 30.300 -0.127 0.000 0.993 19 R HN 0.003 nan 8.270 nan 0.000 0.459 20 V N 4.986 124.817 119.914 -0.139 0.000 2.481 20 V HA 0.204 4.417 4.120 0.156 0.000 0.286 20 V C -1.832 174.202 176.094 -0.099 0.000 1.042 20 V CA -2.054 60.194 62.300 -0.087 0.000 0.928 20 V CB 1.342 33.118 31.823 -0.078 0.000 0.986 20 V HN 0.674 nan 8.190 nan 0.000 0.462 21 P HA 0.124 nan 4.420 nan 0.000 0.264 21 P C -0.206 177.053 177.300 -0.068 0.000 1.183 21 P CA 0.105 63.170 63.100 -0.059 0.000 0.763 21 P CB 0.311 31.995 31.700 -0.027 0.000 0.807 22 A N 4.125 126.896 122.820 -0.081 0.000 2.540 22 A HA 0.312 4.725 4.320 0.156 0.000 0.239 22 A C 0.733 178.285 177.584 -0.053 0.000 1.061 22 A CA 0.380 52.365 52.037 -0.086 0.000 0.758 22 A CB -0.260 18.668 19.000 -0.119 0.000 0.991 22 A HN 0.704 nan 8.150 nan 0.000 0.502 23 R N 0.874 121.343 120.500 -0.051 0.000 2.846 23 R HA 0.676 5.109 4.340 0.156 0.000 0.263 23 R C -0.632 175.649 176.300 -0.032 0.000 1.080 23 R CA -0.705 55.373 56.100 -0.038 0.000 0.961 23 R CB 0.649 30.930 30.300 -0.032 0.000 1.231 23 R HN 0.450 nan 8.270 nan 0.000 0.465 24 S N 0.012 115.695 115.700 -0.030 0.000 2.579 24 S HA 0.021 4.584 4.470 0.156 0.000 0.275 24 S C -0.946 173.686 174.600 0.053 0.000 1.345 24 S CA -0.602 57.597 58.200 -0.002 0.000 1.031 24 S CB 0.218 63.400 63.200 -0.030 0.000 0.892 24 S HN 0.499 nan 8.310 nan 0.000 0.529 25 W N 3.666 124.903 121.300 -0.105 0.000 2.419 25 W HA 0.513 5.266 4.660 0.156 0.000 0.312 25 W C -1.312 175.104 176.519 -0.172 0.000 1.323 25 W CA -0.314 56.952 57.345 -0.131 0.000 1.293 25 W CB -0.102 29.287 29.460 -0.119 0.000 1.324 25 W HN 0.434 nan 8.180 nan 0.000 0.512 26 L N 6.185 127.077 121.223 -0.552 0.000 2.354 26 L HA 0.292 4.725 4.340 0.156 0.000 0.264 26 L C -0.080 176.312 176.870 -0.796 0.000 1.008 26 L CA -1.351 53.163 54.840 -0.542 0.000 0.819 26 L CB 1.931 43.839 42.059 -0.253 0.000 1.339 26 L HN 0.216 nan 8.230 nan 0.000 0.420 27 H N 1.404 120.222 119.070 -0.420 0.000 3.008 27 H HA 0.223 4.873 4.556 0.156 0.000 0.268 27 H C -0.340 174.867 175.328 -0.203 0.000 1.323 27 H CA 0.003 55.853 56.048 -0.330 0.000 1.401 27 H CB 1.262 30.886 29.762 -0.230 0.000 1.556 27 H HN 0.409 nan 8.280 nan 0.000 0.502 28 S N 1.616 117.245 115.700 -0.118 0.000 2.578 28 S HA 0.100 4.663 4.470 0.156 0.000 0.301 28 S C 0.841 175.401 174.600 -0.067 0.000 1.091 28 S CA -0.917 57.227 58.200 -0.092 0.000 1.032 28 S CB 1.080 64.204 63.200 -0.126 0.000 1.064 28 S HN 0.636 nan 8.310 nan 0.000 0.508 29 D N 2.337 122.704 120.400 -0.055 0.000 2.336 29 D HA 0.205 4.938 4.640 0.156 0.000 0.229 29 D C 0.755 177.017 176.300 -0.063 0.000 1.061 29 D CA -0.078 53.895 54.000 -0.044 0.000 0.875 29 D CB -0.556 40.226 40.800 -0.031 0.000 0.904 29 D HN 0.562 nan 8.370 nan 0.000 0.525 30 A N 1.143 123.905 122.820 -0.097 0.000 2.520 30 A HA 0.341 4.755 4.320 0.156 0.000 0.235 30 A C -2.100 175.393 177.584 -0.151 0.000 1.065 30 A CA -0.833 51.117 52.037 -0.145 0.000 0.764 30 A CB -0.351 18.539 19.000 -0.182 0.000 1.002 30 A HN 0.100 nan 8.150 nan 0.000 0.502 31 P HA 0.407 nan 4.420 nan 0.000 0.268 31 P C -0.498 176.680 177.300 -0.204 0.000 1.204 31 P CA 0.553 63.564 63.100 -0.150 0.000 0.768 31 P CB 0.948 32.466 31.700 -0.304 0.000 0.842 32 A N 2.848 125.743 122.820 0.127 0.000 2.572 32 A HA 0.769 5.183 4.320 0.156 0.000 0.295 32 A C -1.468 176.324 177.584 0.345 0.000 1.072 32 A CA -0.644 51.502 52.037 0.181 0.000 0.691 32 A CB 1.087 20.112 19.000 0.042 0.000 1.291 32 A HN 0.495 nan 8.150 nan 0.000 0.404 33 L N -0.764 120.660 121.223 0.334 0.000 2.401 33 L HA 0.899 5.333 4.340 0.156 0.000 0.266 33 L C -0.107 176.810 176.870 0.079 0.000 0.991 33 L CA -0.586 54.358 54.840 0.174 0.000 0.818 33 L CB 1.975 44.101 42.059 0.111 0.000 1.321 33 L HN 0.507 nan 8.230 nan 0.000 0.413 34 S N 1.567 117.301 115.700 0.057 0.000 2.523 34 S HA 0.510 5.073 4.470 0.156 0.000 0.275 34 S C 0.541 175.150 174.600 0.014 0.000 1.281 34 S CA -0.450 57.774 58.200 0.040 0.000 1.050 34 S CB 0.617 63.857 63.200 0.067 0.000 0.937 34 S HN 0.646 nan 8.310 nan 0.000 0.492 35 L N 4.646 125.869 121.223 0.001 0.000 2.628 35 L HA 0.332 4.765 4.340 0.156 0.000 0.229 35 L C 0.781 177.818 176.870 0.279 0.000 1.137 35 L CA 0.337 55.183 54.840 0.009 0.000 0.909 35 L CB -1.433 40.549 42.059 -0.128 0.000 1.137 35 L HN 0.651 nan 8.230 nan 0.000 0.470 36 N N -0.144 118.691 118.700 0.225 0.000 2.441 36 N HA 0.385 5.218 4.740 0.156 0.000 0.251 36 N C 0.670 176.361 175.510 0.302 0.000 1.242 36 N CA 0.843 54.050 53.050 0.262 0.000 0.898 36 N CB 0.669 39.234 38.487 0.130 0.000 1.100 36 N HN 0.277 nan 8.380 nan 0.000 0.443 37 G N 0.746 109.754 108.800 0.347 0.000 2.373 37 G HA2 -0.082 3.971 3.960 0.156 0.000 0.250 37 G HA3 -0.082 3.971 3.960 0.156 0.000 0.250 37 G C -2.010 173.117 174.900 0.379 0.000 1.304 37 G CA -0.723 44.553 45.100 0.292 0.000 0.948 37 G HN 0.476 nan 8.290 nan 0.000 0.474 38 D N 0.800 121.403 120.400 0.340 0.000 2.373 38 D HA 0.475 5.208 4.640 0.156 0.000 0.227 38 D C -0.757 175.837 176.300 0.489 0.000 1.091 38 D CA 0.104 54.315 54.000 0.350 0.000 0.840 38 D CB 0.875 41.803 40.800 0.215 0.000 1.060 38 D HN 0.249 nan 8.370 nan 0.000 0.502 39 W N 1.191 122.604 121.300 0.189 0.000 2.448 39 W HA 0.380 5.134 4.660 0.156 0.000 0.339 39 W C 0.947 177.623 176.519 0.262 0.000 1.124 39 W CA -1.025 56.465 57.345 0.243 0.000 1.262 39 W CB 0.345 30.023 29.460 0.363 0.000 1.251 39 W HN 0.050 nan 8.180 nan 0.000 0.597 40 R N 1.419 122.203 120.500 0.474 0.000 2.570 40 R HA 0.302 4.735 4.340 0.156 0.000 0.277 40 R C -0.958 175.721 176.300 0.633 0.000 1.039 40 R CA 0.296 56.679 56.100 0.471 0.000 1.065 40 R CB -0.117 30.362 30.300 0.298 0.000 0.964 40 R HN 0.342 nan 8.270 nan 0.000 0.428 41 F N 2.966 123.126 119.950 0.350 0.000 2.591 41 F HA 0.535 5.156 4.527 0.156 0.000 0.309 41 F C -1.162 174.393 175.800 -0.409 0.000 1.098 41 F CA -0.906 57.026 58.000 -0.113 0.000 0.937 41 F CB 1.319 40.078 39.000 -0.402 0.000 1.250 41 F HN 0.561 nan 8.300 nan 0.000 0.447 42 R N 5.084 124.551 120.500 -1.721 0.000 2.651 42 R HA 0.749 5.182 4.340 0.156 0.000 0.278 42 R C -2.558 172.594 176.300 -1.913 0.000 1.010 42 R CA -1.094 53.970 56.100 -1.727 0.000 0.896 42 R CB 1.936 31.205 30.300 -1.718 0.000 1.211 42 R HN 0.697 nan 8.270 nan 0.000 0.456 43 L N 3.390 123.789 121.223 -1.374 0.000 2.296 43 L HA 0.516 4.949 4.340 0.156 0.000 0.286 43 L C -1.380 175.153 176.870 -0.562 0.000 1.023 43 L CA -0.596 53.638 54.840 -1.010 0.000 0.812 43 L CB 1.474 43.102 42.059 -0.719 0.000 1.223 43 L HN 0.671 nan 8.230 nan 0.000 0.421 44 L N 6.873 127.828 121.223 -0.446 0.000 2.334 44 L HA 0.571 5.005 4.340 0.156 0.000 0.273 44 L C -1.517 175.275 176.870 -0.129 0.000 1.013 44 L CA -1.493 53.201 54.840 -0.242 0.000 0.816 44 L CB 1.864 43.807 42.059 -0.192 0.000 1.278 44 L HN 0.492 nan 8.230 nan 0.000 0.431 45 P HA 0.070 nan 4.420 nan 0.000 0.241 45 P C -0.158 177.173 177.300 0.051 0.000 1.191 45 P CA 0.465 63.571 63.100 0.009 0.000 0.771 45 P CB 0.742 32.452 31.700 0.018 0.000 0.929 46 A N -0.498 122.348 122.820 0.043 0.000 2.594 46 A HA 0.697 5.111 4.320 0.156 0.000 0.291 46 A C -1.196 176.450 177.584 0.104 0.000 1.105 46 A CA -0.584 51.501 52.037 0.080 0.000 0.694 46 A CB 1.028 20.065 19.000 0.060 0.000 1.291 46 A HN -0.000 nan 8.150 nan 0.000 0.410 47 A N 1.782 124.681 122.820 0.133 0.000 2.310 47 A HA 0.653 5.066 4.320 0.156 0.000 0.300 47 A C -2.563 175.101 177.584 0.133 0.000 1.269 47 A CA -1.352 50.800 52.037 0.192 0.000 0.909 47 A CB -0.661 18.380 19.000 0.069 0.000 1.144 47 A HN 0.437 nan 8.150 nan 0.000 0.540 48 P HA 0.222 nan 4.420 nan 0.000 0.265 48 P C 1.185 178.556 177.300 0.118 0.000 1.187 48 P CA 1.866 65.034 63.100 0.114 0.000 0.766 48 P CB 0.724 32.492 31.700 0.114 0.000 0.820 49 G N 1.246 110.095 108.800 0.082 0.000 2.217 49 G HA2 -0.231 3.822 3.960 0.156 0.000 0.246 49 G HA3 -0.231 3.822 3.960 0.156 0.000 0.246 49 G C 0.395 175.323 174.900 0.046 0.000 0.990 49 G CA 0.356 45.501 45.100 0.075 0.000 0.627 49 G HN 0.821 nan 8.290 nan 0.000 0.522 50 T N -1.502 113.071 114.554 0.033 0.000 2.868 50 T HA 0.709 5.153 4.350 0.156 0.000 0.292 50 T C 1.705 176.413 174.700 0.014 0.000 1.028 50 T CA 0.506 62.611 62.100 0.009 0.000 1.059 50 T CB 1.748 70.612 68.868 -0.007 0.000 0.991 50 T HN 1.406 nan 8.240 nan 0.000 0.531 51 A N 1.378 124.202 122.820 0.006 0.000 1.972 51 A HA 0.212 4.625 4.320 0.156 0.000 0.219 51 A C 2.163 179.751 177.584 0.007 0.000 1.169 51 A CA 1.233 53.272 52.037 0.005 0.000 0.635 51 A CB -1.193 17.805 19.000 -0.004 0.000 0.810 51 A HN 1.119 nan 8.150 nan 0.000 0.446 52 G N -1.769 107.035 108.800 0.008 0.000 3.448 52 G HA2 0.425 4.479 3.960 0.156 0.000 0.261 52 G HA3 0.425 4.479 3.960 0.156 0.000 0.261 52 G C 0.469 175.381 174.900 0.020 0.000 1.173 52 G CA 0.688 45.795 45.100 0.012 0.000 0.835 52 G HN 0.842 nan 8.290 nan 0.000 0.534 53 A N -0.223 122.610 122.820 0.023 0.000 2.643 53 A HA 0.590 5.003 4.320 0.156 0.000 0.295 53 A C 1.946 179.545 177.584 0.025 0.000 1.065 53 A CA 0.633 52.687 52.037 0.028 0.000 0.986 53 A CB -0.018 19.005 19.000 0.038 0.000 1.212 53 A HN 0.322 nan 8.150 nan 0.000 0.516 54 G N 1.209 110.022 108.800 0.020 0.000 2.547 54 G HA2 -0.255 3.798 3.960 0.156 0.000 0.221 54 G HA3 -0.255 3.798 3.960 0.156 0.000 0.221 54 G C 1.248 176.159 174.900 0.019 0.000 1.140 54 G CA 1.752 46.864 45.100 0.019 0.000 0.760 54 G HN 1.248 nan 8.290 nan 0.000 0.583 55 S N -0.976 114.733 115.700 0.016 0.000 2.711 55 S HA 0.408 4.971 4.470 0.156 0.000 0.247 55 S C 1.191 175.797 174.600 0.010 0.000 1.079 55 S CA 0.256 58.464 58.200 0.014 0.000 1.050 55 S CB 1.050 64.256 63.200 0.011 0.000 0.885 55 S HN 0.104 nan 8.310 nan 0.000 0.498 56 V N 1.202 121.123 119.914 0.012 0.000 2.548 56 V HA 0.265 4.478 4.120 0.156 0.000 0.249 56 V C 0.643 176.733 176.094 -0.007 0.000 1.055 56 V CA 1.237 63.538 62.300 0.003 0.000 1.065 56 V CB -0.266 31.564 31.823 0.010 0.000 0.681 56 V HN 0.641 nan 8.190 nan 0.000 0.462 57 L N 0.696 121.924 121.223 0.007 0.000 2.379 57 L HA 0.421 4.854 4.340 0.156 0.000 0.269 57 L C -1.992 174.891 176.870 0.021 0.000 1.084 57 L CA -1.931 52.917 54.840 0.014 0.000 0.802 57 L CB 0.683 42.762 42.059 0.033 0.000 1.175 57 L HN 0.066 nan 8.230 nan 0.000 0.448 58 P HA -0.060 nan 4.420 nan 0.000 0.265 58 P C -0.429 176.893 177.300 0.036 0.000 1.187 58 P CA 0.019 63.140 63.100 0.036 0.000 0.766 58 P CB 0.477 32.214 31.700 0.061 0.000 0.820 59 S N 1.848 117.563 115.700 0.024 0.000 2.544 59 S HA 0.307 4.870 4.470 0.156 0.000 0.290 59 S C 1.474 176.088 174.600 0.023 0.000 1.276 59 S CA 1.067 59.279 58.200 0.020 0.000 1.075 59 S CB -1.102 62.105 63.200 0.012 0.000 0.849 59 S HN 0.865 nan 8.310 nan 0.000 0.494 60 G N 3.452 112.267 108.800 0.025 0.000 2.284 60 G HA2 -0.210 3.843 3.960 0.156 0.000 0.216 60 G HA3 -0.210 3.843 3.960 0.156 0.000 0.216 60 G C -0.017 174.908 174.900 0.042 0.000 1.009 60 G CA 0.176 45.292 45.100 0.026 0.000 0.625 60 G HN 0.779 nan 8.290 nan 0.000 0.501 61 E N 2.248 122.485 120.200 0.062 0.000 2.259 61 E HA 0.508 4.952 4.350 0.156 0.000 0.281 61 E C 0.981 177.617 176.600 0.059 0.000 1.027 61 E CA 0.234 56.690 56.400 0.093 0.000 0.838 61 E CB 0.601 30.392 29.700 0.152 0.000 1.066 61 E HN 0.419 nan 8.360 nan 0.000 0.401 62 T N 0.075 114.657 114.554 0.045 0.000 2.849 62 T HA 0.090 4.533 4.350 0.156 0.000 0.284 62 T C 1.487 176.195 174.700 0.014 0.000 1.004 62 T CA -0.841 61.274 62.100 0.025 0.000 1.021 62 T CB 1.335 70.211 68.868 0.013 0.000 1.013 62 T HN 0.268 nan 8.240 nan 0.000 0.527 63 V N 1.392 121.322 119.914 0.028 0.000 2.278 63 V HA -0.160 4.054 4.120 0.156 0.000 0.251 63 V C 2.087 178.193 176.094 0.020 0.000 1.062 63 V CA 2.077 64.405 62.300 0.047 0.000 1.038 63 V CB -0.803 31.069 31.823 0.082 0.000 0.646 63 V HN 0.985 nan 8.190 nan 0.000 0.447 64 E N -0.751 119.433 120.200 -0.028 0.000 2.651 64 E HA 0.218 4.662 4.350 0.156 0.000 0.208 64 E C 1.825 178.221 176.600 -0.340 0.000 0.997 64 E CA 0.443 56.740 56.400 -0.171 0.000 1.020 64 E CB 0.553 30.237 29.700 -0.027 0.000 1.052 64 E HN 0.561 nan 8.360 nan 0.000 0.465 65 G N 1.150 109.827 108.800 -0.206 0.000 2.462 65 G HA2 -0.245 3.808 3.960 0.156 0.000 0.220 65 G HA3 -0.245 3.808 3.960 0.156 0.000 0.220 65 G C 1.564 176.236 174.900 -0.380 0.000 1.121 65 G CA 0.452 45.444 45.100 -0.181 0.000 0.758 65 G HN 0.289 nan 8.290 nan 0.000 0.559 66 V N 0.991 120.547 119.914 -0.597 0.000 2.688 66 V HA 0.005 4.218 4.120 0.156 0.000 0.256 66 V C 2.842 178.488 176.094 -0.746 0.000 1.084 66 V CA 2.231 63.955 62.300 -0.960 0.000 1.103 66 V CB -0.352 31.121 31.823 -0.583 0.000 0.688 66 V HN 0.416 nan 8.190 nan 0.000 0.480 67 A N -0.382 121.980 122.820 -0.763 0.000 2.123 67 A HA 0.554 4.967 4.320 0.156 0.000 0.214 67 A C 1.373 178.744 177.584 -0.356 0.000 1.152 67 A CA 0.726 52.327 52.037 -0.725 0.000 0.728 67 A CB -0.429 17.645 19.000 -1.544 0.000 0.814 67 A HN 0.805 nan 8.150 nan 0.000 0.464 68 A N 0.173 122.828 122.820 -0.275 0.000 2.425 68 A HA 0.374 4.788 4.320 0.156 0.000 0.249 68 A C 0.780 178.331 177.584 -0.054 0.000 1.084 68 A CA -0.132 51.834 52.037 -0.119 0.000 0.781 68 A CB 0.159 19.120 19.000 -0.065 0.000 1.019 68 A HN 0.486 nan 8.150 nan 0.000 0.490 69 E N 1.169 121.345 120.200 -0.041 0.000 2.204 69 E HA -0.150 4.294 4.350 0.156 0.000 0.194 69 E C 1.767 178.348 176.600 -0.031 0.000 0.989 69 E CA 1.421 57.798 56.400 -0.037 0.000 0.824 69 E CB -0.049 29.626 29.700 -0.042 0.000 0.756 69 E HN 0.862 nan 8.360 nan 0.000 0.477 70 S N -0.132 115.556 115.700 -0.019 0.000 2.562 70 S HA -0.090 4.474 4.470 0.156 0.000 0.221 70 S C 0.592 175.174 174.600 -0.030 0.000 0.975 70 S CA -0.336 57.846 58.200 -0.030 0.000 0.918 70 S CB -0.401 62.781 63.200 -0.030 0.000 0.772 70 S HN 0.236 nan 8.310 nan 0.000 0.531 71 Y N 3.205 123.428 120.300 -0.129 0.000 2.610 71 Y HA 0.247 4.890 4.550 0.156 0.000 0.332 71 Y C -0.006 175.782 175.900 -0.187 0.000 1.201 71 Y CA -0.153 57.856 58.100 -0.153 0.000 1.465 71 Y CB 0.341 38.689 38.460 -0.186 0.000 1.283 71 Y HN 0.094 nan 8.280 nan 0.000 0.563 72 D N 4.573 124.481 120.400 -0.820 0.000 2.412 72 D HA 0.115 4.849 4.640 0.156 0.000 0.224 72 D C -0.656 175.230 176.300 -0.690 0.000 1.093 72 D CA -0.589 53.068 54.000 -0.572 0.000 0.850 72 D CB 0.464 41.025 40.800 -0.398 0.000 1.046 72 D HN 0.625 nan 8.370 nan 0.000 0.507 73 D N 2.378 122.459 120.400 -0.532 0.000 2.501 73 D HA 0.150 4.884 4.640 0.156 0.000 0.226 73 D C 1.351 177.434 176.300 -0.362 0.000 1.198 73 D CA -0.346 53.151 54.000 -0.840 0.000 0.830 73 D CB 0.183 40.212 40.800 -1.286 0.000 1.014 73 D HN 0.245 nan 8.370 nan 0.000 0.496 74 A N 0.942 123.657 122.820 -0.174 0.000 1.940 74 A HA 0.056 4.469 4.320 0.156 0.000 0.219 74 A C 2.256 179.874 177.584 0.057 0.000 1.176 74 A CA 1.670 53.677 52.037 -0.050 0.000 0.631 74 A CB -0.631 18.336 19.000 -0.055 0.000 0.814 74 A HN 0.395 nan 8.150 nan 0.000 0.446 75 A N -1.980 120.914 122.820 0.122 0.000 2.235 75 A HA 0.213 4.626 4.320 0.156 0.000 0.208 75 A C 0.255 178.024 177.584 0.309 0.000 1.172 75 A CA -0.227 51.920 52.037 0.184 0.000 0.786 75 A CB -0.400 18.690 19.000 0.150 0.000 0.804 75 A HN 0.544 nan 8.150 nan 0.000 0.479 76 W N 1.623 122.940 121.300 0.028 0.000 2.170 76 W HA 0.338 5.091 4.660 0.156 0.000 0.336 76 W C -0.110 176.452 176.519 0.072 0.000 1.283 76 W CA -1.099 56.271 57.345 0.041 0.000 1.224 76 W CB 0.102 29.590 29.460 0.047 0.000 1.132 76 W HN 0.165 nan 8.180 nan 0.000 0.571 77 D N 0.329 120.888 120.400 0.264 0.000 2.369 77 D HA 0.151 4.885 4.640 0.156 0.000 0.241 77 D C 0.535 177.021 176.300 0.311 0.000 1.271 77 D CA 0.407 54.559 54.000 0.253 0.000 0.942 77 D CB 0.330 41.296 40.800 0.276 0.000 1.129 77 D HN 0.261 nan 8.370 nan 0.000 0.476 78 T N -2.270 112.448 114.554 0.273 0.000 2.930 78 T HA 0.685 5.129 4.350 0.156 0.000 0.290 78 T C -0.746 174.086 174.700 0.221 0.000 1.052 78 T CA -0.918 61.349 62.100 0.279 0.000 1.017 78 T CB 1.416 70.427 68.868 0.238 0.000 1.137 78 T HN 0.207 nan 8.240 nan 0.000 0.511 79 L N 1.627 122.951 121.223 0.169 0.000 2.455 79 L HA 0.640 5.074 4.340 0.156 0.000 0.264 79 L C -2.750 174.166 176.870 0.077 0.000 0.968 79 L CA -2.052 52.791 54.840 0.006 0.000 0.827 79 L CB 2.335 44.134 42.059 -0.433 0.000 1.317 79 L HN 0.486 nan 8.230 nan 0.000 0.407 80 P HA 0.162 nan 4.420 nan 0.000 0.271 80 P C -1.192 176.091 177.300 -0.028 0.000 1.216 80 P CA 0.005 63.139 63.100 0.057 0.000 0.771 80 P CB 0.994 32.721 31.700 0.044 0.000 0.864 81 V N 6.029 125.898 119.914 -0.074 0.000 2.444 81 V HA 0.345 4.558 4.120 0.156 0.000 0.294 81 V C -2.077 173.959 176.094 -0.097 0.000 1.022 81 V CA -2.041 60.104 62.300 -0.258 0.000 0.850 81 V CB 1.887 33.224 31.823 -0.811 0.000 0.992 81 V HN 0.531 nan 8.190 nan 0.000 0.426 82 P HA 0.401 nan 4.420 nan 0.000 0.281 82 P C -0.641 176.587 177.300 -0.121 0.000 1.252 82 P CA 0.075 63.080 63.100 -0.158 0.000 0.778 82 P CB 1.539 33.169 31.700 -0.118 0.000 0.895 83 S N 1.700 117.303 115.700 -0.161 0.000 2.636 83 S HA 0.388 4.952 4.470 0.156 0.000 0.268 83 S C -1.141 173.322 174.600 -0.228 0.000 1.159 83 S CA -0.901 57.211 58.200 -0.146 0.000 0.815 83 S CB 1.064 64.236 63.200 -0.047 0.000 1.130 83 S HN 0.457 nan 8.310 nan 0.000 0.471 84 H N 0.841 119.904 119.070 -0.011 0.000 2.467 84 H HA 0.256 4.906 4.556 0.156 0.000 0.326 84 H C 0.280 175.573 175.328 -0.059 0.000 1.094 84 H CA -0.214 55.767 56.048 -0.112 0.000 1.253 84 H CB 0.831 30.486 29.762 -0.178 0.000 1.439 84 H HN 0.953 nan 8.280 nan 0.000 0.479 85 W N 3.274 124.596 121.300 0.036 0.000 2.525 85 W HA -0.033 4.721 4.660 0.156 0.000 0.259 85 W C 0.915 177.479 176.519 0.075 0.000 1.253 85 W CA 0.619 57.931 57.345 -0.055 0.000 1.262 85 W CB -0.791 28.534 29.460 -0.225 0.000 1.122 85 W HN 0.297 nan 8.180 nan 0.000 0.607 86 V N -1.551 118.402 119.914 0.065 0.000 3.623 86 V HA 0.230 4.443 4.120 0.156 0.000 0.271 86 V C 0.559 176.609 176.094 -0.073 0.000 1.248 86 V CA 0.131 62.448 62.300 0.028 0.000 1.156 86 V CB -0.861 30.890 31.823 -0.119 0.000 0.870 86 V HN 0.109 nan 8.190 nan 0.000 0.453 87 M N 0.889 120.485 119.600 -0.007 0.000 2.465 87 M HA 0.661 5.235 4.480 0.156 0.000 0.316 87 M C 1.061 177.374 176.300 0.021 0.000 1.121 87 M CA 0.538 55.817 55.300 -0.036 0.000 0.934 87 M CB 1.038 33.642 32.600 0.007 0.000 1.692 87 M HN 0.398 nan 8.290 nan 0.000 0.444 88 G N 1.971 110.768 108.800 -0.004 0.000 2.153 88 G HA2 -0.216 3.838 3.960 0.156 0.000 0.252 88 G HA3 -0.216 3.838 3.960 0.156 0.000 0.252 88 G C 0.287 175.202 174.900 0.026 0.000 0.994 88 G CA 0.153 45.263 45.100 0.017 0.000 0.698 88 G HN 0.637 nan 8.290 nan 0.000 0.521 89 Q N 0.056 119.868 119.800 0.020 0.000 2.139 89 Q HA 0.177 4.610 4.340 0.156 0.000 0.219 89 Q C 0.498 176.473 176.000 -0.043 0.000 0.805 89 Q CA 0.228 56.040 55.803 0.014 0.000 1.024 89 Q CB 0.409 29.200 28.738 0.089 0.000 1.163 89 Q HN 0.626 nan 8.270 nan 0.000 0.485 90 D N 0.956 121.332 120.400 -0.040 0.000 2.701 90 D HA -0.209 4.524 4.640 0.156 0.000 0.235 90 D C 0.843 177.111 176.300 -0.053 0.000 1.155 90 D CA 1.261 55.233 54.000 -0.045 0.000 0.649 90 D CB -1.025 39.752 40.800 -0.038 0.000 1.050 90 D HN 0.622 nan 8.370 nan 0.000 0.425 91 G N 0.412 109.174 108.800 -0.064 0.000 2.189 91 G HA2 -0.457 3.596 3.960 0.156 0.000 0.267 91 G HA3 -0.457 3.596 3.960 0.156 0.000 0.267 91 G C 1.010 175.869 174.900 -0.069 0.000 0.975 91 G CA 1.248 46.316 45.100 -0.054 0.000 0.644 91 G HN 0.567 nan 8.290 nan 0.000 0.537 92 K N -0.505 119.800 120.400 -0.159 0.000 2.113 92 K HA -0.052 4.362 4.320 0.156 0.000 0.208 92 K C 1.111 177.464 176.600 -0.411 0.000 1.047 92 K CA 1.646 57.717 56.287 -0.359 0.000 0.928 92 K CB -0.172 31.967 32.500 -0.602 0.000 0.716 92 K HN 0.586 nan 8.250 nan 0.000 0.446 93 Y N 0.178 120.531 120.300 0.089 0.000 2.736 93 Y HA 0.297 4.940 4.550 0.156 0.000 0.293 93 Y C 0.457 176.481 175.900 0.206 0.000 1.062 93 Y CA -0.430 57.750 58.100 0.133 0.000 1.247 93 Y CB 1.169 39.754 38.460 0.208 0.000 1.200 93 Y HN 0.307 nan 8.280 nan 0.000 0.552 94 G N 0.924 109.846 108.800 0.203 0.000 2.698 94 G HA2 -0.114 3.939 3.960 0.156 0.000 0.225 94 G HA3 -0.114 3.939 3.960 0.156 0.000 0.225 94 G C -1.069 173.863 174.900 0.052 0.000 1.345 94 G CA -1.107 44.087 45.100 0.158 0.000 0.871 94 G HN 0.143 nan 8.290 nan 0.000 0.540 95 R N -0.431 120.058 120.500 -0.018 0.000 2.808 95 R HA 0.633 5.066 4.340 0.156 0.000 0.272 95 R C -2.622 173.569 176.300 -0.182 0.000 0.995 95 R CA -1.637 54.303 56.100 -0.266 0.000 0.917 95 R CB 1.073 31.152 30.300 -0.368 0.000 1.217 95 R HN 0.444 nan 8.270 nan 0.000 0.471 96 P HA 0.200 nan 4.420 nan 0.000 0.268 96 P C -0.460 177.104 177.300 0.440 0.000 1.208 96 P CA 0.145 63.228 63.100 -0.028 0.000 0.777 96 P CB 0.464 31.900 31.700 -0.441 0.000 0.875 97 I N 1.763 122.756 120.570 0.705 0.000 2.466 97 I HA 0.288 4.551 4.170 0.156 0.000 0.289 97 I C -0.913 175.706 176.117 0.837 0.000 1.026 97 I CA -0.882 60.857 61.300 0.731 0.000 1.078 97 I CB 1.586 39.911 38.000 0.543 0.000 1.249 97 I HN 0.285 nan 8.210 nan 0.000 0.429 98 Y N 6.649 127.197 120.300 0.414 0.000 2.334 98 Y HA 0.613 5.256 4.550 0.156 0.000 0.336 98 Y C -0.203 175.786 175.900 0.148 0.000 0.960 98 Y CA -0.735 57.352 58.100 -0.023 0.000 1.164 98 Y CB 1.236 39.221 38.460 -0.791 0.000 1.155 98 Y HN 0.619 nan 8.280 nan 0.000 0.478 99 T N 2.438 116.710 114.554 -0.470 0.000 2.907 99 T HA 0.328 4.771 4.350 0.156 0.000 0.292 99 T C 0.004 174.204 174.700 -0.833 0.000 1.043 99 T CA -0.816 60.920 62.100 -0.607 0.000 1.003 99 T CB 1.921 70.731 68.868 -0.098 0.000 1.084 99 T HN 0.625 nan 8.240 nan 0.000 0.483 100 N N 0.945 119.238 118.700 -0.678 0.000 2.358 100 N HA 0.055 4.888 4.740 0.156 0.000 0.209 100 N C 1.499 176.824 175.510 -0.308 0.000 1.033 100 N CA 0.961 53.788 53.050 -0.372 0.000 1.021 100 N CB -0.619 37.695 38.487 -0.287 0.000 1.244 100 N HN 0.439 nan 8.380 nan 0.000 0.523 101 V N 1.623 121.305 119.914 -0.386 0.000 2.672 101 V HA 0.048 4.262 4.120 0.156 0.000 0.242 101 V C 0.658 176.450 176.094 -0.503 0.000 1.059 101 V CA 0.455 62.450 62.300 -0.507 0.000 1.081 101 V CB -0.548 30.870 31.823 -0.675 0.000 0.752 101 V HN 0.549 nan 8.190 nan 0.000 0.472 102 Q N 0.221 119.772 119.800 -0.416 0.000 2.330 102 Q HA 0.056 4.489 4.340 0.156 0.000 0.279 102 Q C -1.113 174.652 176.000 -0.392 0.000 1.024 102 Q CA -0.093 55.484 55.803 -0.376 0.000 0.900 102 Q CB 0.085 28.645 28.738 -0.296 0.000 1.221 102 Q HN 0.501 nan 8.270 nan 0.000 0.396 103 Y N 3.253 123.302 120.300 -0.419 0.000 2.497 103 Y HA 0.074 4.717 4.550 0.156 0.000 0.334 103 Y C -1.239 174.168 175.900 -0.822 0.000 1.199 103 Y CA -1.798 55.861 58.100 -0.735 0.000 1.425 103 Y CB 0.494 38.283 38.460 -1.117 0.000 1.291 103 Y HN 0.635 nan 8.280 nan 0.000 0.562 104 P HA 0.042 nan 4.420 nan 0.000 0.255 104 P C -1.044 175.849 177.300 -0.679 0.000 1.301 104 P CA 0.483 63.186 63.100 -0.661 0.000 0.817 104 P CB -0.310 31.012 31.700 -0.631 0.000 1.259 105 F N -2.345 117.273 119.950 -0.553 0.000 2.613 105 F HA 0.799 5.420 4.527 0.156 0.000 0.314 105 F C -2.914 172.681 175.800 -0.342 0.000 1.075 105 F CA -3.587 54.094 58.000 -0.531 0.000 0.945 105 F CB -0.454 38.056 39.000 -0.817 0.000 1.310 105 F HN -0.424 nan 8.300 nan 0.000 0.467 106 P HA 0.171 nan 4.420 nan 0.000 0.267 106 P C -0.425 176.915 177.300 0.066 0.000 1.200 106 P CA 0.022 63.118 63.100 -0.008 0.000 0.772 106 P CB 0.573 32.282 31.700 0.015 0.000 0.855 107 I N 2.525 123.084 120.570 -0.019 0.000 2.260 107 I HA 0.106 4.370 4.170 0.156 0.000 0.297 107 I C 0.484 176.652 176.117 0.086 0.000 1.143 107 I CA 0.705 61.993 61.300 -0.020 0.000 1.271 107 I CB -0.170 37.674 38.000 -0.260 0.000 1.461 107 I HN 0.255 nan 8.210 nan 0.000 0.530 108 D N 7.675 128.214 120.400 0.231 0.000 3.100 108 D HA 0.187 4.920 4.640 0.156 0.000 0.350 108 D C -2.558 173.817 176.300 0.125 0.000 1.310 108 D CA -1.548 52.560 54.000 0.179 0.000 0.741 108 D CB 1.097 42.009 40.800 0.186 0.000 1.248 108 D HN 0.119 nan 8.370 nan 0.000 0.527 109 P HA 0.173 nan 4.420 nan 0.000 0.268 109 P C -2.083 175.052 177.300 -0.275 0.000 1.205 109 P CA -0.865 61.878 63.100 -0.595 0.000 0.771 109 P CB 0.773 32.197 31.700 -0.461 0.000 0.858 110 P HA 0.073 nan 4.420 nan 0.000 0.258 110 P C 0.013 177.228 177.300 -0.142 0.000 1.416 110 P CA 0.142 63.071 63.100 -0.286 0.000 0.927 110 P CB -0.040 31.451 31.700 -0.349 0.000 1.444 111 H N 0.791 119.912 119.070 0.085 0.000 2.732 111 H HA 0.257 4.907 4.556 0.156 0.000 0.351 111 H C 0.761 176.125 175.328 0.061 0.000 1.090 111 H CA -0.076 56.011 56.048 0.064 0.000 1.431 111 H CB 1.533 31.307 29.762 0.020 0.000 1.447 111 H HN -0.030 nan 8.280 nan 0.000 0.582 112 V N 0.252 120.193 119.914 0.045 0.000 3.074 112 V HA 0.520 4.734 4.120 0.156 0.000 0.314 112 V C -2.492 173.546 176.094 -0.093 0.000 1.117 112 V CA -2.524 59.663 62.300 -0.189 0.000 1.014 112 V CB 1.295 32.974 31.823 -0.240 0.000 1.057 112 V HN 0.486 nan 8.190 nan 0.000 0.438 113 P HA 0.249 nan 4.420 nan 0.000 0.270 113 P C -0.001 177.334 177.300 0.058 0.000 1.223 113 P CA -0.037 63.046 63.100 -0.029 0.000 0.785 113 P CB 0.443 32.116 31.700 -0.044 0.000 0.923 114 D N 0.427 120.858 120.400 0.052 0.000 2.144 114 D HA -0.063 4.670 4.640 0.156 0.000 0.200 114 D C 0.712 177.074 176.300 0.104 0.000 0.978 114 D CA 0.977 55.014 54.000 0.063 0.000 0.833 114 D CB -0.364 40.460 40.800 0.040 0.000 0.961 114 D HN 0.391 nan 8.370 nan 0.000 0.470 115 A N 1.090 123.988 122.820 0.131 0.000 2.457 115 A HA 0.211 4.625 4.320 0.156 0.000 0.298 115 A C 0.035 177.794 177.584 0.291 0.000 1.288 115 A CA -0.067 52.075 52.037 0.175 0.000 0.956 115 A CB -0.317 18.785 19.000 0.171 0.000 1.135 115 A HN -0.024 nan 8.150 nan 0.000 0.535 116 N N 3.380 122.223 118.700 0.238 0.000 2.640 116 N HA 0.331 5.164 4.740 0.156 0.000 0.262 116 N C -3.356 172.251 175.510 0.161 0.000 1.174 116 N CA -1.837 51.370 53.050 0.261 0.000 0.791 116 N CB 1.581 40.224 38.487 0.260 0.000 1.279 116 N HN 0.111 nan 8.380 nan 0.000 0.535 117 P HA 0.028 nan 4.420 nan 0.000 0.258 117 P C -0.835 176.589 177.300 0.207 0.000 1.172 117 P CA 0.606 63.800 63.100 0.157 0.000 0.762 117 P CB 0.431 32.317 31.700 0.310 0.000 0.764 118 T N 3.206 117.762 114.554 0.004 0.000 2.847 118 T HA 0.521 4.964 4.350 0.156 0.000 0.291 118 T C 0.239 174.702 174.700 -0.394 0.000 0.998 118 T CA -0.541 61.533 62.100 -0.044 0.000 0.967 118 T CB 1.263 70.168 68.868 0.061 0.000 0.954 118 T HN 0.311 nan 8.240 nan 0.000 0.441 119 G N 2.215 110.736 108.800 -0.465 0.000 2.322 119 G HA2 0.528 4.581 3.960 0.156 0.000 0.309 119 G HA3 0.528 4.581 3.960 0.156 0.000 0.309 119 G C -0.890 173.860 174.900 -0.250 0.000 1.121 119 G CA -0.561 44.118 45.100 -0.702 0.000 0.886 119 G HN 0.517 nan 8.290 nan 0.000 0.447 120 D N 1.181 121.293 120.400 -0.480 0.000 2.232 120 D HA 0.466 5.199 4.640 0.156 0.000 0.242 120 D C -0.653 175.692 176.300 0.075 0.000 1.093 120 D CA 0.215 54.195 54.000 -0.033 0.000 0.845 120 D CB 1.538 42.352 40.800 0.022 0.000 1.124 120 D HN 0.139 nan 8.370 nan 0.000 0.467 121 F N 1.536 121.722 119.950 0.394 0.000 2.507 121 F HA 0.486 5.106 4.527 0.155 0.000 0.325 121 F C 0.591 176.734 175.800 0.572 0.000 1.116 121 F CA -0.835 57.508 58.000 0.572 0.000 0.930 121 F CB 1.680 40.989 39.000 0.514 0.000 1.146 121 F HN -0.107 nan 8.300 nan 0.000 0.447 122 R N 2.027 122.932 120.500 0.675 0.000 2.575 122 R HA 0.746 5.179 4.340 0.156 0.000 0.293 122 R C -1.254 175.143 176.300 0.162 0.000 0.983 122 R CA -1.222 55.071 56.100 0.323 0.000 0.887 122 R CB 2.879 33.206 30.300 0.046 0.000 1.184 122 R HN 0.546 nan 8.270 nan 0.000 0.445 123 R N 2.019 122.469 120.500 -0.084 0.000 2.533 123 R HA 0.372 4.806 4.340 0.156 0.000 0.288 123 R C -1.333 174.899 176.300 -0.114 0.000 1.039 123 R CA -0.637 55.212 56.100 -0.418 0.000 0.909 123 R CB 1.345 30.788 30.300 -1.428 0.000 1.195 123 R HN 0.542 nan 8.270 nan 0.000 0.438 124 R N 3.616 124.070 120.500 -0.077 0.000 2.474 124 R HA 0.638 5.071 4.340 0.156 0.000 0.295 124 R C -0.925 175.417 176.300 0.070 0.000 0.980 124 R CA -0.398 55.684 56.100 -0.031 0.000 0.934 124 R CB 1.126 31.375 30.300 -0.085 0.000 1.101 124 R HN 0.631 nan 8.270 nan 0.000 0.469 125 F N -1.793 118.072 119.950 -0.141 0.000 2.693 125 F HA 0.459 5.079 4.527 0.156 0.000 0.309 125 F C -1.492 174.245 175.800 -0.106 0.000 1.129 125 F CA -1.461 56.460 58.000 -0.130 0.000 0.948 125 F CB 1.603 40.516 39.000 -0.145 0.000 1.315 125 F HN 0.332 nan 8.300 nan 0.000 0.447 126 D N 1.337 121.725 120.400 -0.020 0.000 2.217 126 D HA 0.602 5.335 4.640 0.156 0.000 0.243 126 D C -1.538 174.704 176.300 -0.097 0.000 1.054 126 D CA -0.484 53.444 54.000 -0.119 0.000 0.838 126 D CB 2.162 42.904 40.800 -0.097 0.000 1.162 126 D HN 0.597 nan 8.370 nan 0.000 0.472 127 V N 5.571 125.405 119.914 -0.134 0.000 2.384 127 V HA 0.416 4.630 4.120 0.156 0.000 0.287 127 V C -2.031 173.938 176.094 -0.208 0.000 1.020 127 V CA -1.826 60.351 62.300 -0.204 0.000 0.850 127 V CB 1.409 33.290 31.823 0.097 0.000 0.987 127 V HN 0.638 nan 8.190 nan 0.000 0.436 128 P HA 0.052 nan 4.420 nan 0.000 0.264 128 P C 0.653 177.959 177.300 0.010 0.000 1.183 128 P CA 0.200 63.120 63.100 -0.300 0.000 0.763 128 P CB 0.787 32.184 31.700 -0.504 0.000 0.807 129 A N 3.508 126.384 122.820 0.094 0.000 2.019 129 A HA -0.235 4.178 4.320 0.156 0.000 0.219 129 A C 2.121 179.897 177.584 0.320 0.000 1.164 129 A CA 1.419 53.584 52.037 0.214 0.000 0.644 129 A CB -1.033 18.013 19.000 0.077 0.000 0.805 129 A HN 0.646 nan 8.150 nan 0.000 0.449 130 Q N -1.459 118.487 119.800 0.244 0.000 2.226 130 Q HA -0.205 4.228 4.340 0.156 0.000 0.204 130 Q C 1.334 177.544 176.000 0.349 0.000 0.975 130 Q CA 1.423 57.384 55.803 0.263 0.000 0.866 130 Q CB -0.178 28.702 28.738 0.237 0.000 0.915 130 Q HN 0.828 nan 8.270 nan 0.000 0.440 131 W N -0.707 120.612 121.300 0.033 0.000 2.632 131 W HA -0.068 4.685 4.660 0.155 0.000 0.248 131 W C 0.759 177.051 176.519 -0.378 0.000 1.259 131 W CA 0.548 57.778 57.345 -0.192 0.000 1.288 131 W CB -0.335 28.941 29.460 -0.306 0.000 1.136 131 W HN 0.194 nan 8.180 nan 0.000 0.640 132 F N -0.492 119.591 119.950 0.222 0.000 2.678 132 F HA 0.172 4.792 4.527 0.156 0.000 0.305 132 F C 1.083 176.935 175.800 0.088 0.000 1.090 132 F CA -0.277 57.802 58.000 0.132 0.000 1.272 132 F CB -0.322 38.739 39.000 0.102 0.000 1.060 132 F HN -0.274 nan 8.300 nan 0.000 0.576 133 E N 0.012 120.332 120.200 0.200 0.000 2.369 133 E HA 0.055 4.498 4.350 0.156 0.000 0.255 133 E C 1.268 177.913 176.600 0.075 0.000 1.172 133 E CA 0.426 56.902 56.400 0.126 0.000 0.932 133 E CB 0.676 30.440 29.700 0.106 0.000 1.040 133 E HN 0.092 nan 8.360 nan 0.000 0.454 134 S N -0.654 115.079 115.700 0.056 0.000 2.515 134 S HA -0.137 4.427 4.470 0.156 0.000 0.231 134 S C 1.689 176.297 174.600 0.012 0.000 0.987 134 S CA 1.185 59.406 58.200 0.035 0.000 0.936 134 S CB -0.613 62.608 63.200 0.034 0.000 0.766 134 S HN 0.644 nan 8.310 nan 0.000 0.528 135 T N -1.273 113.287 114.554 0.010 0.000 3.098 135 T HA 0.068 4.511 4.350 0.156 0.000 0.266 135 T C 0.552 175.222 174.700 -0.049 0.000 1.145 135 T CA 0.618 62.711 62.100 -0.013 0.000 1.092 135 T CB -0.574 68.292 68.868 -0.005 0.000 0.908 135 T HN 0.319 nan 8.240 nan 0.000 0.526 136 T N 1.228 115.747 114.554 -0.057 0.000 2.779 136 T HA 0.690 5.134 4.350 0.156 0.000 0.280 136 T C 1.156 175.807 174.700 -0.080 0.000 0.987 136 T CA -0.298 61.734 62.100 -0.113 0.000 0.966 136 T CB 1.635 70.398 68.868 -0.174 0.000 0.933 136 T HN 0.191 nan 8.240 nan 0.000 0.442 137 A N 2.744 125.512 122.820 -0.086 0.000 1.935 137 A HA 0.716 5.130 4.320 0.156 0.000 0.214 137 A C 1.084 178.636 177.584 -0.054 0.000 1.178 137 A CA 0.731 52.736 52.037 -0.054 0.000 0.640 137 A CB 0.014 18.986 19.000 -0.047 0.000 0.825 137 A HN 0.995 nan 8.150 nan 0.000 0.447 138 A N -1.505 121.263 122.820 -0.088 0.000 2.610 138 A HA 0.652 5.066 4.320 0.156 0.000 0.291 138 A C -1.561 175.956 177.584 -0.111 0.000 1.086 138 A CA -0.515 51.481 52.037 -0.069 0.000 0.677 138 A CB 0.542 19.517 19.000 -0.042 0.000 1.278 138 A HN 0.295 nan 8.150 nan 0.000 0.414 139 L N 1.118 122.302 121.223 -0.064 0.000 2.356 139 L HA 0.628 5.061 4.340 0.156 0.000 0.277 139 L C -0.528 176.345 176.870 0.006 0.000 0.996 139 L CA -0.473 54.334 54.840 -0.056 0.000 0.822 139 L CB 2.280 44.336 42.059 -0.004 0.000 1.256 139 L HN 0.727 nan 8.230 nan 0.000 0.413 140 T N 3.653 118.199 114.554 -0.013 0.000 2.807 140 T HA 0.484 4.927 4.350 0.156 0.000 0.279 140 T C -0.677 174.047 174.700 0.041 0.000 0.993 140 T CA -0.416 61.698 62.100 0.023 0.000 0.970 140 T CB 2.035 70.891 68.868 -0.020 0.000 0.950 140 T HN 0.216 nan 8.240 nan 0.000 0.441 141 L N 3.765 125.048 121.223 0.099 0.000 2.275 141 L HA 0.626 5.059 4.340 0.156 0.000 0.288 141 L C -0.011 176.899 176.870 0.067 0.000 1.046 141 L CA -0.375 54.501 54.840 0.059 0.000 0.805 141 L CB 0.706 42.852 42.059 0.145 0.000 1.193 141 L HN 0.570 nan 8.230 nan 0.000 0.426 142 R N 4.570 125.006 120.500 -0.107 0.000 2.480 142 R HA 0.502 4.935 4.340 0.156 0.000 0.306 142 R C -1.794 174.354 176.300 -0.253 0.000 0.958 142 R CA -0.525 55.535 56.100 -0.068 0.000 0.861 142 R CB 0.920 31.191 30.300 -0.049 0.000 1.171 142 R HN 0.549 nan 8.270 nan 0.000 0.445 143 F N 3.092 123.065 119.950 0.039 0.000 2.411 143 F HA 0.257 4.878 4.527 0.155 0.000 0.352 143 F C 0.961 176.682 175.800 -0.132 0.000 1.123 143 F CA -0.567 57.395 58.000 -0.064 0.000 1.044 143 F CB 1.890 40.857 39.000 -0.054 0.000 1.135 143 F HN 0.527 nan 8.300 nan 0.000 0.461 144 D N 2.397 122.742 120.400 -0.092 0.000 2.355 144 D HA 0.155 4.889 4.640 0.156 0.000 0.218 144 D C 0.685 176.793 176.300 -0.320 0.000 1.004 144 D CA 0.599 54.467 54.000 -0.220 0.000 0.880 144 D CB 0.658 41.255 40.800 -0.339 0.000 0.911 144 D HN 0.708 nan 8.370 nan 0.000 0.528 145 G N 0.143 108.722 108.800 -0.370 0.000 2.030 145 G HA2 0.338 4.391 3.960 0.156 0.000 0.309 145 G HA3 0.338 4.391 3.960 0.156 0.000 0.309 145 G C -1.385 173.152 174.900 -0.605 0.000 1.668 145 G CA -0.554 44.180 45.100 -0.610 0.000 0.926 145 G HN -0.046 nan 8.290 nan 0.000 0.652 146 V N 1.366 121.188 119.914 -0.154 0.000 2.686 146 V HA 0.662 4.875 4.120 0.156 0.000 0.306 146 V C -0.377 175.845 176.094 0.214 0.000 1.065 146 V CA -0.852 61.404 62.300 -0.073 0.000 0.894 146 V CB 2.101 33.599 31.823 -0.541 0.000 1.004 146 V HN 0.862 nan 8.190 nan 0.000 0.424 147 E N 2.064 122.398 120.200 0.224 0.000 2.155 147 E HA 0.522 4.966 4.350 0.156 0.000 0.264 147 E C 0.488 177.147 176.600 0.098 0.000 0.886 147 E CA 0.097 56.583 56.400 0.142 0.000 0.752 147 E CB 1.790 31.486 29.700 -0.006 0.000 1.133 147 E HN 0.812 nan 8.360 nan 0.000 0.414 148 S N 4.327 120.139 115.700 0.186 0.000 2.665 148 S HA 0.218 4.781 4.470 0.156 0.000 0.240 148 S C 0.706 175.487 174.600 0.301 0.000 1.081 148 S CA -0.410 57.938 58.200 0.247 0.000 0.887 148 S CB 0.325 63.690 63.200 0.275 0.000 0.805 148 S HN 0.432 nan 8.310 nan 0.000 0.486 149 R N 0.155 120.858 120.500 0.339 0.000 2.750 149 R HA 0.620 5.054 4.340 0.156 0.000 0.281 149 R C -1.903 174.649 176.300 0.419 0.000 0.972 149 R CA -0.917 55.376 56.100 0.321 0.000 0.912 149 R CB 1.572 32.041 30.300 0.282 0.000 1.187 149 R HN 0.515 nan 8.270 nan 0.000 0.464 150 Y N -0.293 120.084 120.300 0.128 0.000 2.571 150 Y HA 0.544 5.188 4.550 0.156 0.000 0.341 150 Y C -1.547 174.265 175.900 -0.148 0.000 1.076 150 Y CA -1.228 56.881 58.100 0.015 0.000 1.029 150 Y CB 1.503 39.879 38.460 -0.139 0.000 1.308 150 Y HN 0.459 nan 8.280 nan 0.000 0.461 151 K N 1.998 122.274 120.400 -0.207 0.000 2.259 151 K HA 0.801 5.215 4.320 0.156 0.000 0.252 151 K C -2.031 174.176 176.600 -0.655 0.000 0.936 151 K CA -0.885 55.004 56.287 -0.664 0.000 0.810 151 K CB 2.100 34.006 32.500 -0.989 0.000 1.143 151 K HN 0.710 nan 8.250 nan 0.000 0.427 152 V N 4.143 123.568 119.914 -0.816 0.000 2.487 152 V HA 0.520 4.734 4.120 0.156 0.000 0.298 152 V C -0.961 174.827 176.094 -0.510 0.000 1.028 152 V CA -0.786 61.243 62.300 -0.452 0.000 0.860 152 V CB 1.267 32.825 31.823 -0.443 0.000 0.991 152 V HN 0.716 nan 8.190 nan 0.000 0.427 153 W N 2.964 124.260 121.300 -0.007 0.000 2.785 153 W HA 0.731 5.484 4.660 0.155 0.000 0.333 153 W C -1.256 175.298 176.519 0.060 0.000 1.062 153 W CA -0.720 56.626 57.345 0.001 0.000 1.233 153 W CB 2.337 31.795 29.460 -0.002 0.000 1.413 153 W HN 0.265 nan 8.180 nan 0.000 0.489 154 V N 3.791 123.872 119.914 0.278 0.000 2.443 154 V HA 0.166 4.380 4.120 0.156 0.000 0.293 154 V C 0.076 176.273 176.094 0.172 0.000 1.021 154 V CA -0.874 61.566 62.300 0.233 0.000 0.848 154 V CB 1.364 33.321 31.823 0.223 0.000 0.998 154 V HN 0.698 nan 8.190 nan 0.000 0.424 155 N N 4.071 122.844 118.700 0.122 0.000 2.735 155 N HA -0.210 4.624 4.740 0.156 0.000 0.248 155 N C 1.183 176.728 175.510 0.057 0.000 1.083 155 N CA 1.606 54.688 53.050 0.054 0.000 0.703 155 N CB -1.147 37.360 38.487 0.032 0.000 1.005 155 N HN 1.547 nan 8.380 nan 0.000 0.550 156 G N -1.199 107.644 108.800 0.072 0.000 2.205 156 G HA2 -0.357 3.697 3.960 0.156 0.000 0.261 156 G HA3 -0.357 3.697 3.960 0.156 0.000 0.261 156 G C -0.084 174.903 174.900 0.144 0.000 0.980 156 G CA 0.660 45.787 45.100 0.045 0.000 0.632 156 G HN 0.542 nan 8.290 nan 0.000 0.533 157 Q N 0.565 120.481 119.800 0.193 0.000 2.278 157 Q HA 0.446 4.879 4.340 0.156 0.000 0.257 157 Q C 0.056 176.205 176.000 0.248 0.000 0.928 157 Q CA -0.443 55.478 55.803 0.196 0.000 0.932 157 Q CB 1.372 30.182 28.738 0.120 0.000 1.221 157 Q HN 0.476 nan 8.270 nan 0.000 0.434 158 E N 3.144 123.474 120.200 0.218 0.000 2.415 158 E HA -0.064 4.379 4.350 0.156 0.000 0.260 158 E C 0.260 176.774 176.600 -0.143 0.000 1.016 158 E CA -0.072 56.272 56.400 -0.094 0.000 0.924 158 E CB 0.533 30.148 29.700 -0.140 0.000 0.961 158 E HN 0.560 nan 8.360 nan 0.000 0.459 159 I N 3.056 123.465 120.570 -0.268 0.000 2.810 159 I HA 0.250 4.513 4.170 0.156 0.000 0.262 159 I C 1.219 177.144 176.117 -0.319 0.000 1.131 159 I CA 1.092 62.255 61.300 -0.228 0.000 1.453 159 I CB -0.590 37.266 38.000 -0.240 0.000 1.161 159 I HN 0.673 nan 8.210 nan 0.000 0.444 160 G N 0.018 108.489 108.800 -0.549 0.000 2.317 160 G HA2 0.398 4.451 3.960 0.156 0.000 0.293 160 G HA3 0.398 4.451 3.960 0.156 0.000 0.293 160 G C -1.902 172.661 174.900 -0.562 0.000 1.287 160 G CA -0.439 44.411 45.100 -0.417 0.000 0.850 160 G HN -0.197 nan 8.290 nan 0.000 0.515 161 V N 0.255 119.982 119.914 -0.313 0.000 2.577 161 V HA 0.803 5.016 4.120 0.156 0.000 0.303 161 V C 0.696 176.616 176.094 -0.291 0.000 1.042 161 V CA 0.137 62.198 62.300 -0.398 0.000 0.872 161 V CB 1.479 33.132 31.823 -0.283 0.000 0.998 161 V HN 1.448 nan 8.190 nan 0.000 0.423 162 G N 2.289 110.635 108.800 -0.756 0.000 2.417 162 G HA2 0.739 4.792 3.960 0.156 0.000 0.334 162 G HA3 0.739 4.792 3.960 0.156 0.000 0.334 162 G C -0.775 173.887 174.900 -0.396 0.000 1.150 162 G CA -0.421 44.277 45.100 -0.670 0.000 0.923 162 G HN 0.665 nan 8.290 nan 0.000 0.485 163 S N -1.731 113.927 115.700 -0.070 0.000 2.570 163 S HA 0.791 5.355 4.470 0.156 0.000 0.270 163 S C -0.061 174.599 174.600 0.101 0.000 1.149 163 S CA 0.265 58.506 58.200 0.068 0.000 0.837 163 S CB 1.943 65.183 63.200 0.068 0.000 1.124 163 S HN 2.178 nan 8.310 nan 0.000 0.465 164 G N 1.185 110.064 108.800 0.132 0.000 2.858 164 G HA2 -0.131 3.923 3.960 0.156 0.000 0.272 164 G HA3 -0.131 3.923 3.960 0.156 0.000 0.272 164 G C 0.379 175.352 174.900 0.122 0.000 1.003 164 G CA -0.051 45.111 45.100 0.103 0.000 1.241 164 G HN 0.584 nan 8.290 nan 0.000 0.569 165 S N 0.301 116.084 115.700 0.138 0.000 2.383 165 S HA -0.114 4.450 4.470 0.156 0.000 0.229 165 S C 2.120 176.833 174.600 0.188 0.000 1.030 165 S CA 1.578 59.883 58.200 0.175 0.000 1.002 165 S CB -0.025 63.254 63.200 0.132 0.000 0.829 165 S HN 0.602 nan 8.310 nan 0.000 0.467 166 R N 0.321 120.865 120.500 0.073 0.000 2.507 166 R HA 0.435 4.869 4.340 0.156 0.000 0.298 166 R C -0.579 175.727 176.300 0.010 0.000 0.999 166 R CA 0.045 56.177 56.100 0.053 0.000 1.082 166 R CB -0.002 30.209 30.300 -0.149 0.000 1.246 166 R HN 0.306 nan 8.270 nan 0.000 0.553 167 L N -0.088 121.139 121.223 0.007 0.000 2.334 167 L HA 0.670 5.104 4.340 0.156 0.000 0.273 167 L C 0.182 177.028 176.870 -0.041 0.000 1.013 167 L CA -1.415 53.410 54.840 -0.026 0.000 0.816 167 L CB 1.750 43.797 42.059 -0.019 0.000 1.278 167 L HN 0.014 nan 8.230 nan 0.000 0.431 168 A N 2.140 124.917 122.820 -0.071 0.000 2.371 168 A HA 0.512 4.925 4.320 0.156 0.000 0.257 168 A C -0.477 177.086 177.584 -0.036 0.000 1.089 168 A CA -0.042 51.962 52.037 -0.056 0.000 0.794 168 A CB 0.984 19.939 19.000 -0.075 0.000 1.029 168 A HN 0.664 nan 8.150 nan 0.000 0.488 169 Q N 0.728 120.535 119.800 0.012 0.000 2.305 169 Q HA 0.466 4.900 4.340 0.156 0.000 0.271 169 Q C -1.331 174.609 176.000 -0.100 0.000 1.046 169 Q CA -0.097 55.652 55.803 -0.091 0.000 0.798 169 Q CB 1.526 30.216 28.738 -0.080 0.000 1.286 169 Q HN 0.759 nan 8.270 nan 0.000 0.435 170 E N 2.833 122.877 120.200 -0.260 0.000 2.195 170 E HA 0.535 4.979 4.350 0.156 0.000 0.271 170 E C -1.018 175.330 176.600 -0.420 0.000 0.923 170 E CA -0.599 55.690 56.400 -0.185 0.000 0.790 170 E CB 1.442 31.086 29.700 -0.094 0.000 1.155 170 E HN 0.443 nan 8.360 nan 0.000 0.402 171 F N 0.708 120.719 119.950 0.103 0.000 2.546 171 F HA 0.207 4.827 4.527 0.155 0.000 0.320 171 F C 0.217 176.052 175.800 0.058 0.000 1.076 171 F CA -1.024 57.026 58.000 0.083 0.000 0.928 171 F CB 1.451 40.529 39.000 0.130 0.000 1.189 171 F HN 0.266 nan 8.300 nan 0.000 0.465 172 D N 1.791 122.329 120.400 0.231 0.000 2.339 172 D HA 0.270 5.004 4.640 0.156 0.000 0.241 172 D C 0.372 176.767 176.300 0.159 0.000 1.183 172 D CA -0.021 54.065 54.000 0.142 0.000 0.859 172 D CB 1.406 42.261 40.800 0.092 0.000 1.067 172 D HN 0.363 nan 8.370 nan 0.000 0.484 173 V N 1.159 121.164 119.914 0.151 0.000 3.319 173 V HA 0.141 4.355 4.120 0.156 0.000 0.317 173 V C 1.764 177.949 176.094 0.153 0.000 1.411 173 V CA -0.174 62.223 62.300 0.160 0.000 1.112 173 V CB 0.008 31.945 31.823 0.190 0.000 1.031 173 V HN 0.307 nan 8.190 nan 0.000 0.448 174 S N 2.067 117.837 115.700 0.116 0.000 2.381 174 S HA -0.245 4.318 4.470 0.156 0.000 0.230 174 S C 1.473 176.166 174.600 0.154 0.000 1.052 174 S CA 2.530 60.792 58.200 0.105 0.000 1.068 174 S CB -0.332 62.908 63.200 0.066 0.000 0.918 174 S HN 0.765 nan 8.310 nan 0.000 0.448 175 D N 0.335 120.814 120.400 0.132 0.000 2.349 175 D HA 0.289 5.022 4.640 0.156 0.000 0.215 175 D C 1.534 177.913 176.300 0.132 0.000 1.016 175 D CA 0.590 54.667 54.000 0.129 0.000 0.870 175 D CB -0.002 40.854 40.800 0.093 0.000 0.917 175 D HN 0.421 nan 8.370 nan 0.000 0.524 176 A N 0.048 122.957 122.820 0.148 0.000 2.063 176 A HA 0.198 4.611 4.320 0.156 0.000 0.211 176 A C 1.126 178.805 177.584 0.159 0.000 1.177 176 A CA -0.046 52.074 52.037 0.138 0.000 0.759 176 A CB 0.126 19.207 19.000 0.135 0.000 0.857 176 A HN 0.084 nan 8.150 nan 0.000 0.468 177 L N 0.735 122.099 121.223 0.235 0.000 2.439 177 L HA 0.415 4.848 4.340 0.156 0.000 0.261 177 L C 0.602 177.638 176.870 0.277 0.000 1.153 177 L CA -0.527 54.491 54.840 0.297 0.000 0.808 177 L CB 0.827 43.148 42.059 0.436 0.000 1.126 177 L HN 0.548 nan 8.230 nan 0.000 0.460 178 R N 1.365 121.927 120.500 0.102 0.000 2.837 178 R HA 0.792 5.226 4.340 0.156 0.000 0.271 178 R C -1.067 174.916 176.300 -0.529 0.000 0.993 178 R CA -0.906 55.015 56.100 -0.297 0.000 0.931 178 R CB 1.531 31.705 30.300 -0.210 0.000 1.206 178 R HN 0.538 nan 8.270 nan 0.000 0.474 179 A N 1.185 123.397 122.820 -1.014 0.000 2.477 179 A HA 0.520 4.933 4.320 0.156 0.000 0.246 179 A C 1.041 178.471 177.584 -0.257 0.000 1.078 179 A CA 0.929 52.619 52.037 -0.578 0.000 0.770 179 A CB -0.572 18.129 19.000 -0.498 0.000 1.011 179 A HN 1.352 nan 8.150 nan 0.000 0.494 180 G N 1.552 110.266 108.800 -0.142 0.000 2.662 180 G HA2 -0.108 3.946 3.960 0.156 0.000 0.236 180 G HA3 -0.108 3.946 3.960 0.156 0.000 0.236 180 G C 0.215 174.999 174.900 -0.193 0.000 1.212 180 G CA -0.021 44.990 45.100 -0.149 0.000 0.968 180 G HN 1.559 nan 8.290 nan 0.000 0.576 181 S N 2.460 118.038 115.700 -0.202 0.000 2.499 181 S HA 0.599 5.162 4.470 0.156 0.000 0.275 181 S C 0.113 174.516 174.600 -0.328 0.000 1.257 181 S CA -0.386 57.665 58.200 -0.249 0.000 1.050 181 S CB 0.723 63.815 63.200 -0.181 0.000 0.937 181 S HN 0.641 nan 8.310 nan 0.000 0.490 182 N N 1.207 119.578 118.700 -0.549 0.000 2.455 182 N HA 0.546 5.380 4.740 0.156 0.000 0.278 182 N C -1.706 173.432 175.510 -0.620 0.000 1.291 182 N CA -0.701 51.949 53.050 -0.667 0.000 0.780 182 N CB 2.118 39.950 38.487 -1.091 0.000 1.520 182 N HN 0.361 nan 8.380 nan 0.000 0.486 183 L N 1.200 122.262 121.223 -0.268 0.000 2.385 183 L HA 0.591 5.024 4.340 0.156 0.000 0.273 183 L C -1.554 175.444 176.870 0.214 0.000 0.990 183 L CA -0.519 54.304 54.840 -0.029 0.000 0.821 183 L CB 1.665 43.706 42.059 -0.031 0.000 1.279 183 L HN 0.462 nan 8.230 nan 0.000 0.412 184 L N 5.816 127.225 121.223 0.310 0.000 2.356 184 L HA 0.738 5.171 4.340 0.156 0.000 0.277 184 L C -1.482 175.552 176.870 0.274 0.000 0.996 184 L CA -0.668 54.359 54.840 0.311 0.000 0.822 184 L CB 1.948 44.132 42.059 0.208 0.000 1.256 184 L HN 0.491 nan 8.230 nan 0.000 0.413 185 V N 5.355 125.487 119.914 0.363 0.000 2.540 185 V HA 0.519 4.733 4.120 0.156 0.000 0.302 185 V C -0.480 175.965 176.094 0.585 0.000 1.035 185 V CA -0.567 61.986 62.300 0.422 0.000 0.873 185 V CB 2.215 34.188 31.823 0.249 0.000 0.992 185 V HN 0.481 nan 8.190 nan 0.000 0.428 186 V N 5.024 125.299 119.914 0.602 0.000 2.531 186 V HA 0.563 4.776 4.120 0.156 0.000 0.301 186 V C -0.182 176.227 176.094 0.525 0.000 1.034 186 V CA -0.799 61.797 62.300 0.493 0.000 0.865 186 V CB 1.986 34.017 31.823 0.347 0.000 0.995 186 V HN 0.885 nan 8.190 nan 0.000 0.424 187 R N 3.496 124.261 120.500 0.442 0.000 2.338 187 R HA 0.788 5.221 4.340 0.156 0.000 0.317 187 R C -1.715 174.690 176.300 0.175 0.000 0.968 187 R CA -0.316 55.976 56.100 0.321 0.000 0.849 187 R CB 1.719 32.236 30.300 0.360 0.000 1.128 187 R HN 0.544 nan 8.270 nan 0.000 0.448 188 V N 4.971 124.992 119.914 0.179 0.000 2.531 188 V HA 0.361 4.575 4.120 0.156 0.000 0.301 188 V C -0.554 175.650 176.094 0.183 0.000 1.034 188 V CA -0.852 61.609 62.300 0.268 0.000 0.865 188 V CB 1.655 33.781 31.823 0.505 0.000 0.995 188 V HN 0.799 nan 8.190 nan 0.000 0.424 189 H N 3.309 122.609 119.070 0.382 0.000 2.457 189 H HA 0.304 4.953 4.556 0.156 0.000 0.335 189 H C 0.558 176.020 175.328 0.223 0.000 1.115 189 H CA -0.322 55.904 56.048 0.297 0.000 1.219 189 H CB 2.561 32.450 29.762 0.213 0.000 1.471 189 H HN 0.750 nan 8.280 nan 0.000 0.491 190 Q N 3.046 122.982 119.800 0.227 0.000 2.016 190 Q HA -0.088 4.345 4.340 0.156 0.000 0.200 190 Q C -0.328 175.568 176.000 -0.174 0.000 0.978 190 Q CA 1.311 57.007 55.803 -0.179 0.000 0.833 190 Q CB 0.336 28.720 28.738 -0.590 0.000 0.895 190 Q HN 0.558 nan 8.270 nan 0.000 0.427 191 W N 0.845 122.221 121.300 0.127 0.000 2.496 191 W HA 0.455 5.208 4.660 0.155 0.000 0.327 191 W C -0.173 176.315 176.519 -0.053 0.000 1.086 191 W CA -0.763 56.548 57.345 -0.057 0.000 1.222 191 W CB 1.524 30.852 29.460 -0.219 0.000 1.304 191 W HN 0.081 nan 8.180 nan 0.000 0.547 192 S N 0.140 115.938 115.700 0.165 0.000 2.672 192 S HA 0.620 5.184 4.470 0.156 0.000 0.271 192 S C 0.380 175.049 174.600 0.115 0.000 1.171 192 S CA -0.353 57.898 58.200 0.085 0.000 0.817 192 S CB 0.968 64.251 63.200 0.138 0.000 1.150 192 S HN 0.692 nan 8.310 nan 0.000 0.478 193 A N 0.703 123.622 122.820 0.165 0.000 1.986 193 A HA 0.189 4.602 4.320 0.156 0.000 0.220 193 A C 2.257 180.165 177.584 0.539 0.000 1.171 193 A CA 2.235 54.503 52.037 0.386 0.000 0.640 193 A CB -1.635 17.486 19.000 0.203 0.000 0.811 193 A HN 1.639 nan 8.150 nan 0.000 0.451 194 A N -0.493 122.549 122.820 0.369 0.000 2.070 194 A HA -0.015 4.399 4.320 0.156 0.000 0.220 194 A C 2.304 180.106 177.584 0.364 0.000 1.159 194 A CA 1.749 54.001 52.037 0.359 0.000 0.656 194 A CB -0.692 18.472 19.000 0.273 0.000 0.800 194 A HN 0.472 nan 8.150 nan 0.000 0.453 195 S N -1.092 114.817 115.700 0.348 0.000 2.419 195 S HA -0.171 4.392 4.470 0.156 0.000 0.233 195 S C 1.575 176.506 174.600 0.552 0.000 1.016 195 S CA 1.325 59.807 58.200 0.471 0.000 0.974 195 S CB -0.607 62.779 63.200 0.311 0.000 0.786 195 S HN 0.728 nan 8.310 nan 0.000 0.492 196 Y N 1.408 121.945 120.300 0.395 0.000 2.333 196 Y HA 0.016 4.660 4.550 0.156 0.000 0.290 196 Y C 1.755 177.866 175.900 0.351 0.000 1.144 196 Y CA 0.693 59.002 58.100 0.349 0.000 1.228 196 Y CB -0.335 38.198 38.460 0.122 0.000 0.985 196 Y HN 0.205 nan 8.280 nan 0.000 0.542 197 L N -0.492 120.930 121.223 0.332 0.000 2.592 197 L HA 0.068 4.502 4.340 0.156 0.000 0.227 197 L C 0.148 177.163 176.870 0.241 0.000 1.127 197 L CA 0.574 55.521 54.840 0.178 0.000 0.884 197 L CB 0.041 42.142 42.059 0.070 0.000 1.065 197 L HN 0.136 nan 8.230 nan 0.000 0.457 198 E N -0.247 120.166 120.200 0.354 0.000 4.044 198 E HA 0.032 4.475 4.350 0.156 0.000 0.216 198 E C -0.523 176.177 176.600 0.167 0.000 1.104 198 E CA -0.069 56.484 56.400 0.256 0.000 1.383 198 E CB 0.481 30.338 29.700 0.262 0.000 1.195 198 E HN 0.009 nan 8.360 nan 0.000 0.442 199 D N 1.170 121.672 120.400 0.171 0.000 2.881 199 D HA 0.032 4.765 4.640 0.156 0.000 0.240 199 D C -0.193 176.030 176.300 -0.128 0.000 1.249 199 D CA -0.138 53.854 54.000 -0.014 0.000 0.839 199 D CB 0.088 40.777 40.800 -0.184 0.000 1.042 199 D HN 0.062 nan 8.370 nan 0.000 0.475 200 Q N 0.471 120.193 119.800 -0.131 0.000 2.432 200 Q HA 0.086 4.519 4.340 0.156 0.000 0.264 200 Q C -0.090 175.855 176.000 -0.091 0.000 1.035 200 Q CA 0.190 55.981 55.803 -0.020 0.000 0.908 200 Q CB 0.533 29.333 28.738 0.104 0.000 1.280 200 Q HN 0.106 nan 8.270 nan 0.000 0.455 201 D N 2.670 123.116 120.400 0.076 0.000 2.398 201 D HA 0.030 4.763 4.640 0.156 0.000 0.250 201 D C -0.908 175.532 176.300 0.233 0.000 1.287 201 D CA 0.215 54.296 54.000 0.134 0.000 0.992 201 D CB -0.294 40.638 40.800 0.219 0.000 1.071 201 D HN 0.480 nan 8.370 nan 0.000 0.514 202 Q N 1.482 121.352 119.800 0.117 0.000 2.943 202 Q HA 0.217 4.650 4.340 0.156 0.000 0.305 202 Q C -1.229 174.800 176.000 0.047 0.000 0.873 202 Q CA -1.171 54.671 55.803 0.066 0.000 0.773 202 Q CB 0.032 28.713 28.738 -0.096 0.000 1.501 202 Q HN 0.191 nan 8.270 nan 0.000 0.442 203 W N 0.469 121.847 121.300 0.130 0.000 2.181 203 W HA 0.331 5.084 4.660 0.155 0.000 0.335 203 W C -0.449 176.042 176.519 -0.046 0.000 1.310 203 W CA 0.147 57.578 57.345 0.144 0.000 1.226 203 W CB 0.370 29.883 29.460 0.088 0.000 1.155 203 W HN 0.439 nan 8.180 nan 0.000 0.565 204 W N 4.559 126.053 121.300 0.322 0.000 2.345 204 W HA 0.482 5.235 4.660 0.155 0.000 0.308 204 W C -0.437 176.076 176.519 -0.011 0.000 1.273 204 W CA -0.553 56.884 57.345 0.153 0.000 1.243 204 W CB 0.151 29.766 29.460 0.259 0.000 1.260 204 W HN -0.095 nan 8.180 nan 0.000 0.509 205 L N 7.006 128.220 121.223 -0.014 0.000 2.514 205 L HA 0.294 4.727 4.340 0.156 0.000 0.257 205 L C -2.193 174.499 176.870 -0.295 0.000 1.101 205 L CA -2.007 52.649 54.840 -0.306 0.000 0.911 205 L CB 1.176 42.787 42.059 -0.748 0.000 1.162 205 L HN 0.096 nan 8.230 nan 0.000 0.477 206 P HA 0.565 nan 4.420 nan 0.000 0.276 206 P C 0.062 176.897 177.300 -0.774 0.000 1.252 206 P CA 0.138 62.835 63.100 -0.670 0.000 0.802 206 P CB 2.101 33.162 31.700 -1.065 0.000 1.035 207 G N 0.207 108.735 108.800 -0.454 0.000 2.351 207 G HA2 0.043 4.096 3.960 0.156 0.000 0.353 207 G HA3 0.043 4.096 3.960 0.156 0.000 0.353 207 G C -1.304 173.574 174.900 -0.036 0.000 1.358 207 G CA -0.886 44.154 45.100 -0.100 0.000 0.995 207 G HN 0.420 nan 8.290 nan 0.000 0.611 208 I N 2.007 122.443 120.570 -0.225 0.000 2.260 208 I HA 0.265 4.528 4.170 0.156 0.000 0.297 208 I C 1.080 177.011 176.117 -0.311 0.000 1.143 208 I CA -0.225 60.834 61.300 -0.401 0.000 1.271 208 I CB -0.188 37.349 38.000 -0.771 0.000 1.461 208 I HN 0.512 nan 8.210 nan 0.000 0.530 209 F N 4.221 123.964 119.950 -0.346 0.000 2.678 209 F HA 0.485 5.105 4.527 0.156 0.000 0.305 209 F C 0.692 176.366 175.800 -0.211 0.000 1.090 209 F CA -0.581 57.178 58.000 -0.402 0.000 1.272 209 F CB 0.104 38.711 39.000 -0.655 0.000 1.060 209 F HN 0.137 nan 8.300 nan 0.000 0.576 210 R N 0.399 120.421 120.500 -0.796 0.000 2.950 210 R HA 0.310 4.743 4.340 0.156 0.000 0.253 210 R C -1.016 175.109 176.300 -0.292 0.000 1.168 210 R CA -1.137 54.688 56.100 -0.458 0.000 1.014 210 R CB 0.715 30.669 30.300 -0.578 0.000 1.228 210 R HN 0.006 nan 8.270 nan 0.000 0.487 211 D N 0.253 120.561 120.400 -0.154 0.000 2.449 211 D HA 0.159 4.892 4.640 0.156 0.000 0.236 211 D C -0.783 175.427 176.300 -0.150 0.000 1.149 211 D CA 0.404 54.352 54.000 -0.087 0.000 0.878 211 D CB 0.653 41.460 40.800 0.011 0.000 1.198 211 D HN -0.042 nan 8.370 nan 0.000 0.446 212 V N 1.505 121.342 119.914 -0.129 0.000 2.487 212 V HA 0.631 4.844 4.120 0.156 0.000 0.298 212 V C 0.138 176.136 176.094 -0.160 0.000 1.028 212 V CA -0.632 61.521 62.300 -0.246 0.000 0.860 212 V CB 1.471 33.190 31.823 -0.174 0.000 0.991 212 V HN 0.827 nan 8.190 nan 0.000 0.427 213 T N 2.611 117.040 114.554 -0.209 0.000 2.883 213 T HA 0.807 5.251 4.350 0.156 0.000 0.301 213 T C -1.151 173.480 174.700 -0.114 0.000 1.158 213 T CA -0.727 61.309 62.100 -0.107 0.000 1.007 213 T CB 1.950 70.798 68.868 -0.033 0.000 1.186 213 T HN 0.387 nan 8.240 nan 0.000 0.499 214 L N 1.053 122.259 121.223 -0.029 0.000 2.362 214 L HA 0.665 5.098 4.340 0.156 0.000 0.271 214 L C -0.609 176.307 176.870 0.076 0.000 1.002 214 L CA -0.631 54.236 54.840 0.046 0.000 0.818 214 L CB 2.121 44.263 42.059 0.139 0.000 1.298 214 L HN 0.795 nan 8.230 nan 0.000 0.420 215 Q N 2.265 122.041 119.800 -0.040 0.000 2.331 215 Q HA 0.624 5.058 4.340 0.156 0.000 0.272 215 Q C -1.347 174.404 176.000 -0.415 0.000 1.062 215 Q CA -0.770 54.904 55.803 -0.216 0.000 0.806 215 Q CB 2.392 31.034 28.738 -0.160 0.000 1.312 215 Q HN 0.715 nan 8.270 nan 0.000 0.431 216 A N 4.554 126.891 122.820 -0.805 0.000 2.391 216 A HA 0.394 4.808 4.320 0.156 0.000 0.316 216 A C -0.386 176.906 177.584 -0.486 0.000 1.381 216 A CA -0.562 50.964 52.037 -0.853 0.000 0.998 216 A CB 0.192 18.237 19.000 -1.592 0.000 1.147 216 A HN 0.569 nan 8.150 nan 0.000 0.545 217 R N 3.001 123.316 120.500 -0.308 0.000 2.404 217 R HA 0.194 4.627 4.340 0.156 0.000 0.315 217 R C -2.798 173.388 176.300 -0.191 0.000 1.032 217 R CA -1.803 54.172 56.100 -0.208 0.000 0.992 217 R CB -0.202 30.015 30.300 -0.138 0.000 0.959 217 R HN 0.408 nan 8.270 nan 0.000 0.428 218 P HA 0.035 nan 4.420 nan 0.000 0.271 218 P C -0.504 176.739 177.300 -0.094 0.000 1.216 218 P CA -0.174 62.844 63.100 -0.136 0.000 0.776 218 P CB 0.661 32.289 31.700 -0.121 0.000 0.881 219 A N 3.148 125.924 122.820 -0.073 0.000 2.520 219 A HA 0.425 4.838 4.320 0.156 0.000 0.245 219 A C 1.478 179.037 177.584 -0.042 0.000 1.072 219 A CA 0.643 52.654 52.037 -0.045 0.000 0.761 219 A CB -1.395 17.588 19.000 -0.027 0.000 1.004 219 A HN 0.884 nan 8.150 nan 0.000 0.499 220 G N 1.727 110.506 108.800 -0.035 0.000 2.160 220 G HA2 0.011 4.064 3.960 0.156 0.000 0.251 220 G HA3 0.011 4.064 3.960 0.156 0.000 0.251 220 G C 0.801 175.659 174.900 -0.071 0.000 1.008 220 G CA 0.801 45.877 45.100 -0.041 0.000 0.724 220 G HN 1.783 nan 8.290 nan 0.000 0.514 221 G N -1.058 107.697 108.800 -0.075 0.000 2.525 221 G HA2 0.654 4.707 3.960 0.156 0.000 0.287 221 G HA3 0.654 4.707 3.960 0.156 0.000 0.287 221 G C -0.113 174.731 174.900 -0.093 0.000 1.350 221 G CA -0.935 44.112 45.100 -0.088 0.000 1.039 221 G HN 0.651 nan 8.290 nan 0.000 0.513 222 I N 0.146 120.664 120.570 -0.087 0.000 2.382 222 I HA 0.182 4.446 4.170 0.156 0.000 0.285 222 I C 1.171 177.254 176.117 -0.057 0.000 1.007 222 I CA -0.348 60.907 61.300 -0.075 0.000 1.142 222 I CB 2.033 39.993 38.000 -0.066 0.000 1.289 222 I HN 0.450 nan 8.210 nan 0.000 0.453 223 T N 2.729 117.257 114.554 -0.043 0.000 2.777 223 T HA -0.072 4.371 4.350 0.156 0.000 0.266 223 T C 0.370 175.051 174.700 -0.032 0.000 1.040 223 T CA 1.286 63.362 62.100 -0.040 0.000 1.141 223 T CB -0.099 68.754 68.868 -0.026 0.000 0.868 223 T HN 0.564 nan 8.240 nan 0.000 0.444 224 D N -0.996 119.398 120.400 -0.009 0.000 2.661 224 D HA 0.634 5.367 4.640 0.156 0.000 0.228 224 D C -1.720 174.604 176.300 0.039 0.000 1.210 224 D CA -0.543 53.460 54.000 0.006 0.000 0.826 224 D CB 1.877 42.685 40.800 0.014 0.000 1.542 224 D HN 0.207 nan 8.370 nan 0.000 0.447 225 A N 1.388 124.246 122.820 0.064 0.000 2.486 225 A HA 0.603 5.017 4.320 0.156 0.000 0.300 225 A C -2.033 175.677 177.584 0.210 0.000 1.048 225 A CA -0.750 51.359 52.037 0.120 0.000 0.696 225 A CB 1.356 20.417 19.000 0.101 0.000 1.278 225 A HN 0.374 nan 8.150 nan 0.000 0.405 226 W N 3.926 125.231 121.300 0.008 0.000 2.499 226 W HA 0.594 5.347 4.660 0.156 0.000 0.320 226 W C -1.867 174.660 176.519 0.014 0.000 1.010 226 W CA -1.444 55.907 57.345 0.010 0.000 1.267 226 W CB 1.138 30.609 29.460 0.017 0.000 1.316 226 W HN 0.515 nan 8.180 nan 0.000 0.431 227 L N 7.238 128.626 121.223 0.276 0.000 2.353 227 L HA 0.382 4.815 4.340 0.156 0.000 0.269 227 L C 0.822 177.660 176.870 -0.054 0.000 1.085 227 L CA -0.566 54.309 54.840 0.058 0.000 0.938 227 L CB 0.386 42.490 42.059 0.076 0.000 1.312 227 L HN 0.289 nan 8.230 nan 0.000 0.429 228 R N 1.692 121.976 120.500 -0.361 0.000 2.296 228 R HA 0.265 4.698 4.340 0.156 0.000 0.323 228 R C -0.258 175.934 176.300 -0.180 0.000 1.067 228 R CA 0.068 55.916 56.100 -0.420 0.000 0.946 228 R CB 0.819 30.579 30.300 -0.901 0.000 0.991 228 R HN 0.348 nan 8.270 nan 0.000 0.448 229 T N 2.073 116.572 114.554 -0.091 0.000 2.943 229 T HA 0.718 5.162 4.350 0.156 0.000 0.284 229 T C -0.408 174.347 174.700 0.093 0.000 1.015 229 T CA -0.333 61.730 62.100 -0.061 0.000 1.042 229 T CB 1.700 70.423 68.868 -0.242 0.000 1.055 229 T HN 0.818 nan 8.240 nan 0.000 0.500 230 G N 0.184 109.139 108.800 0.258 0.000 2.684 230 G HA2 0.608 4.661 3.960 0.156 0.000 0.290 230 G HA3 0.608 4.661 3.960 0.156 0.000 0.290 230 G C -2.534 172.656 174.900 0.484 0.000 1.425 230 G CA -0.727 44.553 45.100 0.300 0.000 0.822 230 G HN 0.727 nan 8.290 nan 0.000 0.482 231 W N 0.582 122.005 121.300 0.205 0.000 3.479 231 W HA 0.636 5.389 4.660 0.156 0.000 0.304 231 W C -0.599 175.992 176.519 0.120 0.000 1.243 231 W CA -0.447 57.007 57.345 0.182 0.000 1.202 231 W CB 2.041 31.650 29.460 0.249 0.000 1.346 231 W HN 1.051 nan 8.180 nan 0.000 0.539 232 S N 4.010 119.258 115.700 -0.752 0.000 2.541 232 S HA 0.836 5.400 4.470 0.156 0.000 0.271 232 S C -0.858 172.923 174.600 -1.364 0.000 1.133 232 S CA -0.555 57.183 58.200 -0.770 0.000 0.876 232 S CB 1.382 64.396 63.200 -0.310 0.000 1.105 232 S HN 1.273 nan 8.310 nan 0.000 0.470 233 A N 3.253 125.502 122.820 -0.951 0.000 2.440 233 A HA 0.739 5.153 4.320 0.156 0.000 0.251 233 A C 0.198 177.573 177.584 -0.349 0.000 1.089 233 A CA -0.371 51.277 52.037 -0.648 0.000 0.779 233 A CB 0.163 19.088 19.000 -0.124 0.000 1.022 233 A HN 0.759 nan 8.150 nan 0.000 0.492 234 R N 1.419 121.783 120.500 -0.227 0.000 2.604 234 R HA 0.287 4.720 4.340 0.156 0.000 0.281 234 R C -0.362 175.915 176.300 -0.039 0.000 1.020 234 R CA -0.314 55.709 56.100 -0.129 0.000 0.899 234 R CB 1.963 32.170 30.300 -0.154 0.000 1.205 234 R HN 1.012 nan 8.270 nan 0.000 0.450 235 S N 1.020 116.706 115.700 -0.024 0.000 2.673 235 S HA 0.283 4.847 4.470 0.156 0.000 0.308 235 S C 0.804 175.412 174.600 0.013 0.000 1.246 235 S CA 0.875 59.076 58.200 0.003 0.000 1.077 235 S CB 0.086 63.285 63.200 -0.002 0.000 0.814 235 S HN 1.002 nan 8.310 nan 0.000 0.503 236 G N 3.310 112.133 108.800 0.038 0.000 2.451 236 G HA2 0.190 4.243 3.960 0.156 0.000 0.208 236 G HA3 0.190 4.243 3.960 0.156 0.000 0.208 236 G C 0.624 175.584 174.900 0.099 0.000 1.248 236 G CA 0.174 45.306 45.100 0.053 0.000 0.989 236 G HN 1.762 nan 8.290 nan 0.000 0.559 237 A N -0.784 122.103 122.820 0.112 0.000 1.898 237 A HA 0.566 4.980 4.320 0.156 0.000 0.216 237 A C 2.324 180.113 177.584 0.341 0.000 1.181 237 A CA 2.876 55.028 52.037 0.192 0.000 0.620 237 A CB -0.801 18.294 19.000 0.157 0.000 0.819 237 A HN 2.950 nan 8.150 nan 0.000 0.442 238 G N -3.441 105.464 108.800 0.175 0.000 2.371 238 G HA2 0.278 4.332 3.960 0.156 0.000 0.663 238 G HA3 0.278 4.332 3.960 0.156 0.000 0.663 238 G C -0.593 174.210 174.900 -0.162 0.000 1.311 238 G CA -0.360 44.720 45.100 -0.032 0.000 0.985 238 G HN 0.626 nan 8.290 nan 0.000 0.566 239 T N 0.630 114.892 114.554 -0.486 0.000 2.792 239 T HA 0.686 5.129 4.350 0.156 0.000 0.280 239 T C 0.638 175.154 174.700 -0.307 0.000 0.990 239 T CA 0.357 62.263 62.100 -0.324 0.000 0.960 239 T CB 1.589 70.297 68.868 -0.266 0.000 0.939 239 T HN 1.436 nan 8.240 nan 0.000 0.439 240 G N 1.996 110.669 108.800 -0.211 0.000 2.389 240 G HA2 0.610 4.663 3.960 0.156 0.000 0.317 240 G HA3 0.610 4.663 3.960 0.156 0.000 0.317 240 G C -0.192 174.707 174.900 -0.002 0.000 1.137 240 G CA -0.631 44.372 45.100 -0.161 0.000 0.870 240 G HN 0.760 nan 8.290 nan 0.000 0.496 241 T N -1.180 113.524 114.554 0.250 0.000 2.887 241 T HA 0.717 5.160 4.350 0.156 0.000 0.288 241 T C -0.432 174.452 174.700 0.306 0.000 1.021 241 T CA -0.715 61.505 62.100 0.200 0.000 1.000 241 T CB 1.749 70.678 68.868 0.102 0.000 1.034 241 T HN 0.347 nan 8.240 nan 0.000 0.467 242 I N 2.032 122.726 120.570 0.208 0.000 2.436 242 I HA 0.395 4.658 4.170 0.156 0.000 0.289 242 I C -0.994 175.152 176.117 0.049 0.000 1.010 242 I CA -0.711 60.675 61.300 0.143 0.000 1.098 242 I CB 1.988 40.106 38.000 0.196 0.000 1.266 242 I HN 0.687 nan 8.210 nan 0.000 0.434 243 D N 8.973 129.339 120.400 -0.056 0.000 2.462 243 D HA 0.351 5.084 4.640 0.156 0.000 0.249 243 D C -2.587 173.591 176.300 -0.203 0.000 1.117 243 D CA -2.008 51.913 54.000 -0.131 0.000 0.900 243 D CB 1.388 42.076 40.800 -0.187 0.000 1.039 243 D HN 0.106 nan 8.370 nan 0.000 0.516 244 P HA 0.271 nan 4.420 nan 0.000 0.282 244 P C -0.672 176.510 177.300 -0.197 0.000 1.249 244 P CA -0.394 62.630 63.100 -0.128 0.000 0.806 244 P CB 1.375 33.035 31.700 -0.067 0.000 0.984 245 E N 2.714 122.853 120.200 -0.100 0.000 2.224 245 E HA 0.433 4.876 4.350 0.156 0.000 0.265 245 E C -1.287 175.321 176.600 0.014 0.000 0.878 245 E CA -0.720 55.654 56.400 -0.043 0.000 0.759 245 E CB 0.986 30.732 29.700 0.077 0.000 1.164 245 E HN 0.199 nan 8.360 nan 0.000 0.414 246 I N 3.789 124.347 120.570 -0.019 0.000 2.389 246 I HA 0.234 4.497 4.170 0.156 0.000 0.288 246 I C -0.308 175.848 176.117 0.064 0.000 0.999 246 I CA -0.648 60.672 61.300 0.034 0.000 1.129 246 I CB 1.514 39.536 38.000 0.038 0.000 1.288 246 I HN 0.518 nan 8.210 nan 0.000 0.444 247 T N 6.067 120.655 114.554 0.056 0.000 2.853 247 T HA 0.763 5.206 4.350 0.156 0.000 0.317 247 T C 0.006 174.726 174.700 0.033 0.000 1.059 247 T CA -0.471 61.660 62.100 0.052 0.000 0.954 247 T CB 0.852 69.746 68.868 0.044 0.000 0.994 247 T HN 0.766 nan 8.240 nan 0.000 0.479 248 A N 2.965 125.821 122.820 0.060 0.000 2.589 248 A HA 0.615 5.028 4.320 0.156 0.000 0.296 248 A C -0.866 176.781 177.584 0.105 0.000 1.062 248 A CA -1.009 51.046 52.037 0.031 0.000 0.686 248 A CB 1.143 20.093 19.000 -0.083 0.000 1.282 248 A HN 0.655 nan 8.150 nan 0.000 0.404 249 D N 1.048 121.487 120.400 0.066 0.000 2.390 249 D HA 0.390 5.123 4.640 0.156 0.000 0.236 249 D C 1.505 177.918 176.300 0.188 0.000 1.189 249 D CA 1.069 55.125 54.000 0.092 0.000 0.887 249 D CB 0.997 41.825 40.800 0.045 0.000 1.198 249 D HN 0.774 nan 8.370 nan 0.000 0.444 250 A N 1.715 124.643 122.820 0.180 0.000 1.978 250 A HA -0.183 4.230 4.320 0.156 0.000 0.220 250 A C 2.056 179.795 177.584 0.258 0.000 1.170 250 A CA 2.230 54.407 52.037 0.234 0.000 0.636 250 A CB -1.178 17.885 19.000 0.105 0.000 0.810 250 A HN 0.752 nan 8.150 nan 0.000 0.448 251 T N -2.784 111.856 114.554 0.143 0.000 3.098 251 T HA 0.252 4.696 4.350 0.156 0.000 0.266 251 T C 1.587 176.331 174.700 0.073 0.000 1.145 251 T CA 1.177 63.337 62.100 0.100 0.000 1.092 251 T CB -0.278 68.622 68.868 0.052 0.000 0.908 251 T HN 0.526 nan 8.240 nan 0.000 0.526 252 A N 0.585 123.431 122.820 0.043 0.000 2.066 252 A HA 0.346 4.760 4.320 0.156 0.000 0.218 252 A C 0.568 178.029 177.584 -0.205 0.000 1.157 252 A CA -0.052 51.906 52.037 -0.132 0.000 0.670 252 A CB -0.655 18.180 19.000 -0.275 0.000 0.804 252 A HN 0.535 nan 8.150 nan 0.000 0.453 253 F N 1.358 121.336 119.950 0.047 0.000 2.471 253 F HA 0.331 4.951 4.527 0.156 0.000 0.353 253 F C -1.526 174.303 175.800 0.047 0.000 1.113 253 F CA -2.068 55.970 58.000 0.064 0.000 1.262 253 F CB 0.339 39.380 39.000 0.070 0.000 1.146 253 F HN 0.093 nan 8.300 nan 0.000 0.578 254 P HA 0.194 nan 4.420 nan 0.000 0.280 254 P C -1.017 176.314 177.300 0.052 0.000 1.244 254 P CA -0.141 63.081 63.100 0.203 0.000 0.784 254 P CB 1.531 33.306 31.700 0.125 0.000 0.913 255 V N 3.531 123.500 119.914 0.093 0.000 2.417 255 V HA 0.315 4.528 4.120 0.156 0.000 0.291 255 V C 0.422 176.501 176.094 -0.024 0.000 1.024 255 V CA -0.151 62.148 62.300 -0.002 0.000 0.861 255 V CB 1.728 33.532 31.823 -0.032 0.000 0.985 255 V HN 0.589 nan 8.190 nan 0.000 0.436 256 T N 6.070 120.541 114.554 -0.137 0.000 2.794 256 T HA 0.563 5.006 4.350 0.156 0.000 0.280 256 T C -0.612 173.887 174.700 -0.336 0.000 0.987 256 T CA -0.281 61.650 62.100 -0.282 0.000 0.993 256 T CB 1.363 70.130 68.868 -0.169 0.000 0.939 256 T HN 0.435 nan 8.240 nan 0.000 0.449 257 L N 3.325 124.209 121.223 -0.565 0.000 2.272 257 L HA 0.730 5.163 4.340 0.156 0.000 0.289 257 L C -0.159 176.581 176.870 -0.217 0.000 1.032 257 L CA 0.013 54.627 54.840 -0.376 0.000 0.810 257 L CB 1.461 43.220 42.059 -0.500 0.000 1.205 257 L HN 0.580 nan 8.230 nan 0.000 0.422 258 S N 4.393 120.032 115.700 -0.102 0.000 2.552 258 S HA 0.730 5.293 4.470 0.156 0.000 0.314 258 S C -1.080 173.523 174.600 0.005 0.000 1.099 258 S CA -0.549 57.619 58.200 -0.053 0.000 1.070 258 S CB 1.157 64.332 63.200 -0.043 0.000 0.998 258 S HN 0.465 nan 8.310 nan 0.000 0.474 259 V N 8.268 128.196 119.914 0.024 0.000 2.315 259 V HA 0.327 4.541 4.120 0.156 0.000 0.265 259 V C -1.915 174.219 176.094 0.066 0.000 1.019 259 V CA -1.491 60.854 62.300 0.074 0.000 0.824 259 V CB 0.790 32.672 31.823 0.099 0.000 1.072 259 V HN 0.616 nan 8.190 nan 0.000 0.448 260 P HA -0.212 nan 4.420 nan 0.000 0.215 260 P C 1.585 178.929 177.300 0.074 0.000 1.157 260 P CA 1.324 64.456 63.100 0.054 0.000 0.874 260 P CB 0.486 32.217 31.700 0.052 0.000 0.790 261 E N -0.607 119.669 120.200 0.128 0.000 2.209 261 E HA -0.143 4.300 4.350 0.156 0.000 0.196 261 E C 1.296 177.976 176.600 0.133 0.000 0.993 261 E CA 0.753 57.253 56.400 0.166 0.000 0.819 261 E CB -0.403 29.468 29.700 0.286 0.000 0.745 261 E HN 0.212 nan 8.360 nan 0.000 0.477 262 L N -0.735 120.530 121.223 0.070 0.000 2.667 262 L HA 0.286 4.719 4.340 0.156 0.000 0.232 262 L C 1.065 177.924 176.870 -0.018 0.000 1.138 262 L CA 0.199 55.025 54.840 -0.024 0.000 0.921 262 L CB 0.717 42.678 42.059 -0.163 0.000 1.180 262 L HN 0.251 nan 8.230 nan 0.000 0.487 263 G N 0.921 109.725 108.800 0.007 0.000 2.249 263 G HA2 -0.239 3.814 3.960 0.156 0.000 0.273 263 G HA3 -0.239 3.814 3.960 0.156 0.000 0.273 263 G C -0.012 174.879 174.900 -0.016 0.000 1.036 263 G CA 0.139 45.237 45.100 -0.003 0.000 0.824 263 G HN 0.131 nan 8.290 nan 0.000 0.504 264 V N 1.060 120.965 119.914 -0.015 0.000 2.394 264 V HA 0.582 4.796 4.120 0.156 0.000 0.282 264 V C 0.312 176.378 176.094 -0.047 0.000 1.031 264 V CA -0.734 61.550 62.300 -0.028 0.000 0.881 264 V CB 1.794 33.609 31.823 -0.013 0.000 0.982 264 V HN 0.449 nan 8.190 nan 0.000 0.451 265 N N 4.261 122.919 118.700 -0.071 0.000 2.621 265 N HA 0.328 5.162 4.740 0.156 0.000 0.271 265 N C -1.807 173.617 175.510 -0.144 0.000 1.181 265 N CA -0.075 52.913 53.050 -0.103 0.000 0.805 265 N CB 2.039 40.484 38.487 -0.071 0.000 1.351 265 N HN 0.382 nan 8.380 nan 0.000 0.539 266 V N 2.354 122.119 119.914 -0.248 0.000 2.448 266 V HA 0.458 4.671 4.120 0.156 0.000 0.295 266 V C 0.071 175.850 176.094 -0.524 0.000 1.025 266 V CA -0.320 61.779 62.300 -0.335 0.000 0.859 266 V CB 1.775 33.390 31.823 -0.347 0.000 0.988 266 V HN 0.462 nan 8.190 nan 0.000 0.431 267 T N 4.998 119.353 114.554 -0.331 0.000 2.758 267 T HA 0.369 4.812 4.350 0.156 0.000 0.285 267 T C -0.721 173.920 174.700 -0.098 0.000 0.981 267 T CA -0.287 61.664 62.100 -0.247 0.000 0.965 267 T CB 0.496 69.311 68.868 -0.089 0.000 0.927 267 T HN 0.547 nan 8.240 nan 0.000 0.448 268 W N 3.733 125.105 121.300 0.119 0.000 2.342 268 W HA 0.359 5.112 4.660 0.155 0.000 0.310 268 W C 0.901 177.570 176.519 0.250 0.000 1.128 268 W CA -1.298 56.151 57.345 0.173 0.000 1.322 268 W CB 0.311 29.927 29.460 0.260 0.000 1.251 268 W HN 0.734 nan 8.180 nan 0.000 0.439 269 K N 1.599 122.193 120.400 0.324 0.000 2.400 269 K HA 0.017 4.430 4.320 0.156 0.000 0.194 269 K C 0.775 177.451 176.600 0.127 0.000 1.033 269 K CA 0.592 57.012 56.287 0.222 0.000 1.021 269 K CB 0.489 33.060 32.500 0.118 0.000 0.808 269 K HN 0.374 nan 8.250 nan 0.000 0.505 270 S N -2.226 113.426 115.700 -0.079 0.000 2.611 270 S HA 0.483 5.046 4.470 0.156 0.000 0.268 270 S C 0.617 174.652 174.600 -0.941 0.000 1.156 270 S CA -0.472 57.343 58.200 -0.643 0.000 0.817 270 S CB 1.308 64.307 63.200 -0.335 0.000 1.122 270 S HN -0.053 nan 8.310 nan 0.000 0.466 271 A N 1.113 123.163 122.820 -1.283 0.000 1.958 271 A HA -0.174 4.239 4.320 0.156 0.000 0.221 271 A C 1.991 179.356 177.584 -0.365 0.000 1.178 271 A CA 2.244 53.833 52.037 -0.747 0.000 0.642 271 A CB -1.440 17.303 19.000 -0.429 0.000 0.816 271 A HN 1.072 nan 8.150 nan 0.000 0.453 272 E N -0.154 119.874 120.200 -0.286 0.000 2.268 272 E HA -0.179 4.264 4.350 0.156 0.000 0.195 272 E C 1.464 177.973 176.600 -0.152 0.000 0.995 272 E CA 1.187 57.480 56.400 -0.178 0.000 0.836 272 E CB -0.298 29.325 29.700 -0.129 0.000 0.763 272 E HN 0.741 nan 8.360 nan 0.000 0.491 273 E N 0.878 120.993 120.200 -0.141 0.000 2.358 273 E HA -0.001 4.442 4.350 0.156 0.000 0.195 273 E C 0.114 176.593 176.600 -0.201 0.000 1.010 273 E CA 0.266 56.647 56.400 -0.033 0.000 0.856 273 E CB 0.440 30.222 29.700 0.137 0.000 0.795 273 E HN 0.111 nan 8.360 nan 0.000 0.504 274 V N 2.349 121.950 119.914 -0.522 0.000 2.416 274 V HA 0.118 4.331 4.120 0.156 0.000 0.260 274 V C 0.198 175.959 176.094 -0.555 0.000 1.018 274 V CA 0.176 61.821 62.300 -1.092 0.000 1.120 274 V CB -0.442 30.841 31.823 -0.900 0.000 1.081 274 V HN 0.128 nan 8.190 nan 0.000 0.474 275 A N 7.025 129.643 122.820 -0.336 0.000 2.515 275 A HA 0.935 5.348 4.320 0.156 0.000 0.296 275 A C -2.951 174.628 177.584 -0.007 0.000 1.094 275 A CA -1.931 50.038 52.037 -0.113 0.000 0.718 275 A CB 1.631 20.610 19.000 -0.035 0.000 1.307 275 A HN 0.550 nan 8.150 nan 0.000 0.408 276 P HA 0.405 nan 4.420 nan 0.000 0.266 276 P C -0.881 176.456 177.300 0.062 0.000 1.195 276 P CA 0.221 63.328 63.100 0.012 0.000 0.768 276 P CB 0.287 31.977 31.700 -0.017 0.000 0.838 277 L N -0.181 121.095 121.223 0.087 0.000 2.354 277 L HA 0.968 5.401 4.340 0.156 0.000 0.264 277 L C -0.918 175.987 176.870 0.059 0.000 1.008 277 L CA -1.355 53.534 54.840 0.082 0.000 0.819 277 L CB 2.317 44.445 42.059 0.114 0.000 1.339 277 L HN 0.246 nan 8.230 nan 0.000 0.420 278 A N 2.869 125.703 122.820 0.024 0.000 2.330 278 A HA 0.877 5.290 4.320 0.156 0.000 0.327 278 A C -1.047 176.515 177.584 -0.037 0.000 1.155 278 A CA -0.505 51.527 52.037 -0.008 0.000 0.803 278 A CB 1.233 20.218 19.000 -0.026 0.000 1.208 278 A HN 0.610 nan 8.150 nan 0.000 0.477 279 L N 2.129 123.300 121.223 -0.086 0.000 2.381 279 L HA 0.540 4.973 4.340 0.156 0.000 0.274 279 L C -0.412 176.360 176.870 -0.162 0.000 0.988 279 L CA -0.543 54.215 54.840 -0.136 0.000 0.824 279 L CB 1.805 43.733 42.059 -0.219 0.000 1.263 279 L HN 0.736 nan 8.230 nan 0.000 0.410 280 E N 1.056 121.185 120.200 -0.118 0.000 2.349 280 E HA 0.385 4.829 4.350 0.156 0.000 0.262 280 E C -0.378 176.168 176.600 -0.090 0.000 1.088 280 E CA -0.853 55.488 56.400 -0.099 0.000 0.899 280 E CB -0.024 29.636 29.700 -0.066 0.000 1.044 280 E HN 0.485 nan 8.360 nan 0.000 0.420 281 N N -1.148 117.522 118.700 -0.050 0.000 2.727 281 N HA -0.132 4.701 4.740 0.156 0.000 0.251 281 N C -1.337 174.179 175.510 0.010 0.000 1.040 281 N CA 0.460 53.512 53.050 0.004 0.000 0.712 281 N CB -1.236 37.257 38.487 0.010 0.000 0.912 281 N HN 0.236 nan 8.380 nan 0.000 0.545 282 V N 0.201 120.123 119.914 0.012 0.000 2.435 282 V HA 0.274 4.488 4.120 0.156 0.000 0.290 282 V C 0.481 176.758 176.094 0.304 0.000 1.030 282 V CA -0.654 61.638 62.300 -0.013 0.000 0.881 282 V CB 1.749 33.355 31.823 -0.363 0.000 0.983 282 V HN 0.116 nan 8.190 nan 0.000 0.445 283 E N 6.176 126.582 120.200 0.343 0.000 2.289 283 E HA 0.330 4.774 4.350 0.156 0.000 0.278 283 E C -2.397 174.280 176.600 0.128 0.000 1.032 283 E CA -2.242 54.301 56.400 0.238 0.000 0.854 283 E CB 1.169 30.983 29.700 0.190 0.000 1.046 283 E HN 0.416 nan 8.360 nan 0.000 0.409 284 P HA 0.089 nan 4.420 nan 0.000 0.277 284 P C -0.551 176.714 177.300 -0.058 0.000 1.240 284 P CA -0.525 62.278 63.100 -0.494 0.000 0.798 284 P CB 0.684 31.492 31.700 -1.487 0.000 0.979 285 W N 3.100 124.385 121.300 -0.025 0.000 2.315 285 W HA 0.401 5.154 4.660 0.156 0.000 0.316 285 W C -0.290 176.216 176.519 -0.022 0.000 1.211 285 W CA 0.689 58.034 57.345 -0.000 0.000 1.201 285 W CB 0.893 30.395 29.460 0.069 0.000 1.184 285 W HN 0.512 nan 8.180 nan 0.000 0.544 286 S N 3.232 118.491 115.700 -0.736 0.000 2.638 286 S HA 0.665 5.229 4.470 0.156 0.000 0.274 286 S C 0.320 173.836 174.600 -1.807 0.000 1.157 286 S CA -0.388 57.280 58.200 -0.886 0.000 0.826 286 S CB 1.294 64.368 63.200 -0.209 0.000 1.139 286 S HN 0.935 nan 8.310 nan 0.000 0.474 287 A N 0.740 122.398 122.820 -1.936 0.000 1.940 287 A HA -0.047 4.367 4.320 0.156 0.000 0.219 287 A C 1.826 178.852 177.584 -0.930 0.000 1.176 287 A CA 1.879 53.009 52.037 -1.512 0.000 0.631 287 A CB -1.087 16.944 19.000 -1.615 0.000 0.814 287 A HN 0.912 nan 8.150 nan 0.000 0.446 288 E N -1.021 118.790 120.200 -0.649 0.000 2.107 288 E HA 0.013 4.456 4.350 0.156 0.000 0.191 288 E C -0.316 176.067 176.600 -0.362 0.000 0.982 288 E CA 1.013 57.189 56.400 -0.374 0.000 0.809 288 E CB 0.127 29.721 29.700 -0.177 0.000 0.756 288 E HN 0.312 nan 8.360 nan 0.000 0.459 289 V N 2.465 122.105 119.914 -0.457 0.000 2.383 289 V HA 0.160 4.373 4.120 0.156 0.000 0.264 289 V C -2.454 173.282 176.094 -0.598 0.000 1.001 289 V CA -1.155 60.915 62.300 -0.383 0.000 0.828 289 V CB 1.144 32.818 31.823 -0.249 0.000 1.069 289 V HN 0.042 nan 8.190 nan 0.000 0.451 290 P HA 0.130 nan 4.420 nan 0.000 0.226 290 P C 0.113 177.242 177.300 -0.285 0.000 1.783 290 P CA -0.411 62.118 63.100 -0.952 0.000 0.980 290 P CB 0.054 31.443 31.700 -0.519 0.000 1.967 291 R N 2.245 122.630 120.500 -0.193 0.000 2.404 291 R HA 0.254 4.687 4.340 0.156 0.000 0.315 291 R C -0.655 175.757 176.300 0.187 0.000 1.032 291 R CA 0.339 56.428 56.100 -0.018 0.000 0.992 291 R CB -0.738 29.535 30.300 -0.046 0.000 0.959 291 R HN 0.264 nan 8.270 nan 0.000 0.428 292 L N 5.468 126.729 121.223 0.064 0.000 2.342 292 L HA 0.490 4.923 4.340 0.156 0.000 0.271 292 L C -0.900 175.943 176.870 -0.045 0.000 1.008 292 L CA -1.112 53.817 54.840 0.148 0.000 0.818 292 L CB 1.641 43.807 42.059 0.179 0.000 1.296 292 L HN 0.580 nan 8.230 nan 0.000 0.427 293 Y N 0.610 121.037 120.300 0.212 0.000 2.364 293 Y HA 0.316 4.960 4.550 0.156 0.000 0.340 293 Y C 0.135 176.118 175.900 0.138 0.000 0.975 293 Y CA -0.976 57.241 58.100 0.194 0.000 1.089 293 Y CB 1.557 40.196 38.460 0.298 0.000 1.192 293 Y HN 0.394 nan 8.280 nan 0.000 0.454 294 E N 2.267 122.611 120.200 0.240 0.000 2.344 294 E HA 0.533 4.976 4.350 0.156 0.000 0.270 294 E C -0.613 176.078 176.600 0.152 0.000 1.021 294 E CA -0.104 56.387 56.400 0.152 0.000 0.887 294 E CB 1.303 31.063 29.700 0.101 0.000 0.997 294 E HN 0.707 nan 8.360 nan 0.000 0.429 295 A N 2.030 124.917 122.820 0.112 0.000 2.566 295 A HA 0.723 5.136 4.320 0.156 0.000 0.292 295 A C -0.764 176.853 177.584 0.055 0.000 1.112 295 A CA -0.582 51.508 52.037 0.088 0.000 0.707 295 A CB 1.596 20.656 19.000 0.100 0.000 1.302 295 A HN 0.589 nan 8.150 nan 0.000 0.409 296 S N -0.646 115.075 115.700 0.034 0.000 2.546 296 S HA 0.770 5.333 4.470 0.156 0.000 0.274 296 S C -0.753 173.852 174.600 0.008 0.000 1.121 296 S CA -0.221 57.990 58.200 0.018 0.000 0.887 296 S CB 1.067 64.269 63.200 0.002 0.000 1.094 296 S HN 2.041 nan 8.310 nan 0.000 0.474 297 V N -0.515 119.409 119.914 0.018 0.000 2.540 297 V HA 0.942 5.156 4.120 0.156 0.000 0.302 297 V C -0.527 175.563 176.094 -0.006 0.000 1.035 297 V CA -0.470 61.842 62.300 0.020 0.000 0.873 297 V CB 0.990 32.880 31.823 0.111 0.000 0.992 297 V HN 0.947 nan 8.190 nan 0.000 0.428 298 S N 2.900 118.580 115.700 -0.034 0.000 2.547 298 S HA 0.789 5.353 4.470 0.156 0.000 0.281 298 S C -0.099 174.461 174.600 -0.066 0.000 1.118 298 S CA -0.435 57.736 58.200 -0.048 0.000 0.947 298 S CB 1.946 65.117 63.200 -0.048 0.000 1.053 298 S HN 1.343 nan 8.310 nan 0.000 0.482 299 S N 1.426 117.079 115.700 -0.078 0.000 2.758 299 S HA 0.786 5.349 4.470 0.156 0.000 0.292 299 S C 1.358 175.922 174.600 -0.059 0.000 1.131 299 S CA -0.277 57.869 58.200 -0.089 0.000 0.997 299 S CB 0.908 64.033 63.200 -0.124 0.000 1.111 299 S HN 0.877 nan 8.310 nan 0.000 0.552 300 A N 0.429 123.222 122.820 -0.046 0.000 1.978 300 A HA 0.136 4.550 4.320 0.156 0.000 0.220 300 A C 2.145 179.707 177.584 -0.036 0.000 1.170 300 A CA 1.879 53.897 52.037 -0.032 0.000 0.636 300 A CB -1.492 17.497 19.000 -0.019 0.000 0.810 300 A HN 1.331 nan 8.150 nan 0.000 0.448 301 A N -1.785 121.007 122.820 -0.047 0.000 2.147 301 A HA 0.352 4.765 4.320 0.156 0.000 0.211 301 A C 0.713 178.260 177.584 -0.062 0.000 1.160 301 A CA 0.857 52.863 52.037 -0.051 0.000 0.781 301 A CB 0.040 19.007 19.000 -0.055 0.000 0.842 301 A HN 0.562 nan 8.150 nan 0.000 0.475 302 E N -0.994 119.167 120.200 -0.064 0.000 2.363 302 E HA 0.448 4.891 4.350 0.156 0.000 0.281 302 E C -1.665 174.900 176.600 -0.057 0.000 0.953 302 E CA -0.352 56.007 56.400 -0.067 0.000 0.778 302 E CB 1.493 31.144 29.700 -0.082 0.000 1.220 302 E HN 0.031 nan 8.360 nan 0.000 0.431 303 S N 4.005 119.676 115.700 -0.049 0.000 2.502 303 S HA 0.621 5.184 4.470 0.156 0.000 0.304 303 S C -0.913 173.667 174.600 -0.034 0.000 1.097 303 S CA -0.568 57.609 58.200 -0.037 0.000 1.045 303 S CB 0.615 63.798 63.200 -0.029 0.000 1.019 303 S HN 0.443 nan 8.310 nan 0.000 0.481 304 I N 3.615 124.171 120.570 -0.023 0.000 2.378 304 I HA 0.341 4.605 4.170 0.156 0.000 0.291 304 I C -0.131 175.989 176.117 0.006 0.000 0.992 304 I CA -0.381 60.908 61.300 -0.018 0.000 1.154 304 I CB 2.090 40.078 38.000 -0.020 0.000 1.315 304 I HN 0.471 nan 8.210 nan 0.000 0.448 305 S N 5.890 121.602 115.700 0.020 0.000 2.480 305 S HA 0.679 5.242 4.470 0.156 0.000 0.286 305 S C -0.267 174.372 174.600 0.066 0.000 1.180 305 S CA -0.712 57.508 58.200 0.032 0.000 1.075 305 S CB 1.611 64.815 63.200 0.007 0.000 0.996 305 S HN 0.471 nan 8.310 nan 0.000 0.487 306 V N 1.225 121.176 119.914 0.063 0.000 3.007 306 V HA 0.704 4.917 4.120 0.156 0.000 0.311 306 V C -1.077 175.065 176.094 0.081 0.000 1.120 306 V CA -1.403 60.943 62.300 0.076 0.000 0.980 306 V CB 1.813 33.668 31.823 0.055 0.000 1.033 306 V HN 0.824 nan 8.190 nan 0.000 0.429 307 R N 3.115 123.669 120.500 0.089 0.000 2.343 307 R HA 0.704 5.137 4.340 0.156 0.000 0.320 307 R C -1.196 175.145 176.300 0.068 0.000 0.956 307 R CA -0.659 55.502 56.100 0.102 0.000 0.836 307 R CB 1.917 32.289 30.300 0.120 0.000 1.151 307 R HN 0.707 nan 8.270 nan 0.000 0.450 308 L N 2.234 123.508 121.223 0.084 0.000 2.276 308 L HA 0.473 4.906 4.340 0.156 0.000 0.286 308 L C 0.707 177.588 176.870 0.020 0.000 1.061 308 L CA -0.564 54.238 54.840 -0.063 0.000 0.807 308 L CB 1.552 43.499 42.059 -0.186 0.000 1.177 308 L HN 0.755 nan 8.230 nan 0.000 0.429 309 G N 2.915 111.641 108.800 -0.124 0.000 2.437 309 G HA2 0.553 4.607 3.960 0.156 0.000 0.315 309 G HA3 0.553 4.607 3.960 0.156 0.000 0.315 309 G C -0.970 173.940 174.900 0.017 0.000 1.210 309 G CA -0.342 44.791 45.100 0.054 0.000 0.943 309 G HN 0.296 nan 8.290 nan 0.000 0.471 310 F N 2.549 122.692 119.950 0.322 0.000 2.413 310 F HA 0.570 5.190 4.527 0.156 0.000 0.359 310 F C 0.885 176.881 175.800 0.327 0.000 1.122 310 F CA -0.415 57.766 58.000 0.301 0.000 1.160 310 F CB 1.234 40.440 39.000 0.342 0.000 1.146 310 F HN 0.582 nan 8.300 nan 0.000 0.514 311 R N 0.101 120.860 120.500 0.431 0.000 2.663 311 R HA 0.690 5.124 4.340 0.156 0.000 0.267 311 R C -1.728 174.779 176.300 0.346 0.000 1.038 311 R CA -0.867 55.489 56.100 0.427 0.000 0.886 311 R CB 1.029 31.611 30.300 0.470 0.000 1.249 311 R HN 0.255 nan 8.270 nan 0.000 0.463 312 T N 1.614 116.374 114.554 0.344 0.000 2.809 312 T HA 0.479 4.923 4.350 0.156 0.000 0.284 312 T C -0.839 173.957 174.700 0.161 0.000 0.992 312 T CA -0.712 61.526 62.100 0.231 0.000 0.957 312 T CB 1.535 70.539 68.868 0.227 0.000 0.942 312 T HN 0.374 nan 8.240 nan 0.000 0.439 313 V N 4.433 124.394 119.914 0.078 0.000 2.407 313 V HA 0.634 4.848 4.120 0.156 0.000 0.278 313 V C 0.254 176.273 176.094 -0.126 0.000 1.037 313 V CA -0.669 61.594 62.300 -0.060 0.000 0.900 313 V CB 1.242 33.018 31.823 -0.078 0.000 0.983 313 V HN 0.718 nan 8.190 nan 0.000 0.459 314 R N 4.100 124.470 120.500 -0.217 0.000 2.564 314 R HA 0.621 5.054 4.340 0.156 0.000 0.284 314 R C -1.504 174.639 176.300 -0.263 0.000 1.031 314 R CA -0.619 55.377 56.100 -0.173 0.000 0.904 314 R CB 1.647 31.912 30.300 -0.059 0.000 1.199 314 R HN 0.708 nan 8.270 nan 0.000 0.443 315 I N 4.462 124.909 120.570 -0.206 0.000 2.342 315 I HA 0.290 4.553 4.170 0.156 0.000 0.291 315 I C -0.546 175.549 176.117 -0.038 0.000 1.010 315 I CA -0.808 60.416 61.300 -0.127 0.000 1.308 315 I CB 1.816 39.771 38.000 -0.074 0.000 1.400 315 I HN 0.265 nan 8.210 nan 0.000 0.488 316 V N 6.625 126.542 119.914 0.005 0.000 2.380 316 V HA 0.533 4.747 4.120 0.156 0.000 0.286 316 V C 0.799 176.926 176.094 0.055 0.000 1.015 316 V CA 0.037 62.353 62.300 0.028 0.000 0.834 316 V CB 0.483 32.326 31.823 0.033 0.000 1.009 316 V HN 1.135 nan 8.190 nan 0.000 0.428 317 G N 5.512 114.341 108.800 0.048 0.000 2.629 317 G HA2 -0.340 3.714 3.960 0.156 0.000 0.313 317 G HA3 -0.340 3.714 3.960 0.156 0.000 0.313 317 G C 0.445 175.399 174.900 0.090 0.000 1.217 317 G CA 0.779 45.916 45.100 0.062 0.000 0.994 317 G HN 1.015 nan 8.290 nan 0.000 0.549 318 D N 0.927 121.399 120.400 0.121 0.000 2.427 318 D HA 0.290 5.024 4.640 0.156 0.000 0.224 318 D C 0.460 176.925 176.300 0.274 0.000 1.157 318 D CA 0.274 54.379 54.000 0.174 0.000 0.828 318 D CB 0.242 41.145 40.800 0.171 0.000 0.974 318 D HN 0.416 nan 8.370 nan 0.000 0.498 319 Q N 0.436 120.377 119.800 0.235 0.000 2.333 319 Q HA 0.309 4.743 4.340 0.156 0.000 0.267 319 Q C -1.312 174.831 176.000 0.238 0.000 1.012 319 Q CA -0.728 55.281 55.803 0.344 0.000 0.824 319 Q CB 2.111 30.992 28.738 0.238 0.000 1.290 319 Q HN 0.265 nan 8.270 nan 0.000 0.449 320 F N 3.955 123.960 119.950 0.091 0.000 2.350 320 F HA 0.388 5.009 4.527 0.156 0.000 0.365 320 F C -0.916 174.924 175.800 0.068 0.000 1.122 320 F CA -0.546 57.435 58.000 -0.032 0.000 1.139 320 F CB 0.446 39.315 39.000 -0.217 0.000 1.220 320 F HN 0.360 nan 8.300 nan 0.000 0.499 321 L N 6.762 127.942 121.223 -0.070 0.000 2.325 321 L HA 0.695 5.128 4.340 0.156 0.000 0.278 321 L C -0.934 175.918 176.870 -0.030 0.000 1.023 321 L CA -1.208 53.656 54.840 0.041 0.000 0.811 321 L CB 1.767 43.861 42.059 0.058 0.000 1.249 321 L HN 0.223 nan 8.230 nan 0.000 0.431 322 V N 2.149 122.122 119.914 0.099 0.000 2.540 322 V HA 0.334 4.548 4.120 0.156 0.000 0.302 322 V C -0.084 176.223 176.094 0.355 0.000 1.035 322 V CA -0.733 61.652 62.300 0.143 0.000 0.873 322 V CB 1.574 33.370 31.823 -0.044 0.000 0.992 322 V HN 0.896 nan 8.190 nan 0.000 0.428 323 N N 3.600 122.508 118.700 0.347 0.000 2.721 323 N HA -0.218 4.616 4.740 0.156 0.000 0.249 323 N C 1.141 176.873 175.510 0.370 0.000 1.072 323 N CA 1.606 54.919 53.050 0.437 0.000 0.710 323 N CB -1.160 37.516 38.487 0.316 0.000 0.993 323 N HN 1.617 nan 8.380 nan 0.000 0.547 324 G N -1.171 107.785 108.800 0.259 0.000 2.179 324 G HA2 -0.363 3.690 3.960 0.156 0.000 0.260 324 G HA3 -0.363 3.690 3.960 0.156 0.000 0.260 324 G C 0.096 175.080 174.900 0.139 0.000 0.977 324 G CA 0.678 45.886 45.100 0.180 0.000 0.641 324 G HN 0.680 nan 8.290 nan 0.000 0.533 325 R N -0.200 120.399 120.500 0.165 0.000 2.686 325 R HA 0.575 5.009 4.340 0.156 0.000 0.286 325 R C 0.615 177.055 176.300 0.233 0.000 0.969 325 R CA -1.007 55.164 56.100 0.118 0.000 0.898 325 R CB 0.980 31.224 30.300 -0.092 0.000 1.183 325 R HN 0.278 nan 8.270 nan 0.000 0.456 326 R N 2.542 123.149 120.500 0.179 0.000 2.537 326 R HA 0.046 4.480 4.340 0.156 0.000 0.281 326 R C -0.996 175.402 176.300 0.163 0.000 0.988 326 R CA 0.103 56.319 56.100 0.193 0.000 1.077 326 R CB 0.454 30.820 30.300 0.110 0.000 0.932 326 R HN 0.245 nan 8.270 nan 0.000 0.409 327 V N 6.145 126.082 119.914 0.037 0.000 2.407 327 V HA 0.195 4.408 4.120 0.156 0.000 0.278 327 V C -0.089 175.739 176.094 -0.443 0.000 1.037 327 V CA -0.626 61.428 62.300 -0.411 0.000 0.900 327 V CB 1.598 32.778 31.823 -1.070 0.000 0.983 327 V HN 0.534 nan 8.190 nan 0.000 0.459 328 V N 6.006 125.663 119.914 -0.429 0.000 2.383 328 V HA 0.406 4.619 4.120 0.156 0.000 0.275 328 V C -0.308 175.401 176.094 -0.640 0.000 1.036 328 V CA -0.379 61.671 62.300 -0.417 0.000 0.889 328 V CB 1.076 32.704 31.823 -0.325 0.000 0.985 328 V HN 0.642 nan 8.190 nan 0.000 0.459 329 F N 4.248 123.981 119.950 -0.361 0.000 2.411 329 F HA 0.411 5.032 4.527 0.155 0.000 0.355 329 F C 0.752 176.299 175.800 -0.423 0.000 1.117 329 F CA -0.270 57.493 58.000 -0.395 0.000 1.139 329 F CB 0.536 39.263 39.000 -0.455 0.000 1.120 329 F HN 0.476 nan 8.300 nan 0.000 0.493 330 H N 2.964 122.035 119.070 0.003 0.000 2.572 330 H HA 0.408 5.058 4.556 0.156 0.000 0.248 330 H C 0.394 175.785 175.328 0.104 0.000 1.397 330 H CA -0.675 55.430 56.048 0.096 0.000 1.319 330 H CB 0.667 30.472 29.762 0.072 0.000 1.452 330 H HN 0.760 nan 8.280 nan 0.000 0.535 331 G N 0.490 109.240 108.800 -0.083 0.000 2.644 331 G HA2 0.587 4.641 3.960 0.156 0.000 0.307 331 G HA3 0.587 4.641 3.960 0.156 0.000 0.307 331 G C -0.513 174.339 174.900 -0.079 0.000 1.250 331 G CA -0.684 44.208 45.100 -0.346 0.000 0.996 331 G HN 0.330 nan 8.290 nan 0.000 0.489 332 V N -2.003 117.930 119.914 0.032 0.000 2.876 332 V HA 0.580 4.794 4.120 0.156 0.000 0.312 332 V C -0.645 175.525 176.094 0.128 0.000 1.085 332 V CA -1.516 60.803 62.300 0.032 0.000 0.945 332 V CB 1.979 33.726 31.823 -0.128 0.000 1.017 332 V HN 0.623 nan 8.190 nan 0.000 0.428 333 N N 3.611 122.335 118.700 0.039 0.000 2.458 333 N HA 0.367 5.200 4.740 0.156 0.000 0.270 333 N C -0.636 174.732 175.510 -0.236 0.000 1.102 333 N CA -0.207 52.783 53.050 -0.100 0.000 0.967 333 N CB 1.339 39.749 38.487 -0.129 0.000 1.078 333 N HN 0.753 nan 8.380 nan 0.000 0.471 334 R N 2.769 123.149 120.500 -0.201 0.000 2.564 334 R HA 0.244 4.678 4.340 0.156 0.000 0.284 334 R C -1.253 174.989 176.300 -0.096 0.000 1.031 334 R CA -0.503 55.495 56.100 -0.172 0.000 0.904 334 R CB 1.385 31.556 30.300 -0.214 0.000 1.199 334 R HN 0.766 nan 8.270 nan 0.000 0.443 335 H N 0.815 119.846 119.070 -0.066 0.000 2.894 335 H HA 0.337 4.986 4.556 0.156 0.000 0.368 335 H C -1.224 174.186 175.328 0.137 0.000 1.181 335 H CA -0.786 55.263 56.048 0.001 0.000 1.146 335 H CB 1.801 31.520 29.762 -0.072 0.000 1.839 335 H HN 0.509 nan 8.280 nan 0.000 0.557 336 E N 0.934 121.340 120.200 0.344 0.000 2.415 336 E HA 0.195 4.638 4.350 0.156 0.000 0.263 336 E C -0.847 175.928 176.600 0.292 0.000 0.995 336 E CA 0.450 57.021 56.400 0.286 0.000 0.915 336 E CB 0.576 30.484 29.700 0.347 0.000 0.951 336 E HN 0.667 nan 8.360 nan 0.000 0.449 337 T N 4.508 119.191 114.554 0.214 0.000 2.982 337 T HA 0.327 4.771 4.350 0.156 0.000 0.321 337 T C -2.135 172.695 174.700 0.218 0.000 1.229 337 T CA -0.607 61.632 62.100 0.232 0.000 1.044 337 T CB 0.614 69.663 68.868 0.301 0.000 1.184 337 T HN 0.528 nan 8.240 nan 0.000 0.477 338 H N 4.134 123.258 119.070 0.089 0.000 3.087 338 H HA 0.295 4.945 4.556 0.156 0.000 0.348 338 H C -2.540 172.811 175.328 0.038 0.000 1.092 338 H CA -1.388 54.686 56.048 0.043 0.000 1.285 338 H CB 2.823 32.610 29.762 0.042 0.000 1.875 338 H HN 0.357 nan 8.280 nan 0.000 0.512 339 P HA -0.058 nan 4.420 nan 0.000 0.225 339 P C 0.485 177.808 177.300 0.037 0.000 1.148 339 P CA 1.065 64.132 63.100 -0.055 0.000 0.779 339 P CB 0.610 32.333 31.700 0.037 0.000 0.780 340 D N -1.145 119.363 120.400 0.179 0.000 2.525 340 D HA 0.055 4.788 4.640 0.156 0.000 0.248 340 D C 1.765 178.172 176.300 0.179 0.000 1.000 340 D CA 0.665 54.791 54.000 0.209 0.000 0.923 340 D CB 0.071 41.042 40.800 0.285 0.000 1.101 340 D HN 0.315 nan 8.370 nan 0.000 0.493 341 R N 0.416 121.072 120.500 0.260 0.000 2.437 341 R HA 0.405 4.839 4.340 0.156 0.000 0.257 341 R C 1.259 177.694 176.300 0.226 0.000 0.927 341 R CA 0.479 56.673 56.100 0.156 0.000 1.078 341 R CB 0.584 30.907 30.300 0.038 0.000 1.161 341 R HN 0.031 nan 8.270 nan 0.000 0.529 342 G N 2.456 111.368 108.800 0.186 0.000 2.565 342 G HA2 -0.401 3.653 3.960 0.156 0.000 0.295 342 G HA3 -0.401 3.653 3.960 0.156 0.000 0.295 342 G C 0.508 175.561 174.900 0.254 0.000 1.165 342 G CA 0.390 45.562 45.100 0.121 0.000 0.977 342 G HN 0.360 nan 8.290 nan 0.000 0.546 343 R N -0.086 120.671 120.500 0.427 0.000 2.359 343 R HA 0.366 4.799 4.340 0.156 0.000 0.231 343 R C 0.511 177.079 176.300 0.446 0.000 0.913 343 R CA 0.029 56.366 56.100 0.395 0.000 1.075 343 R CB 0.502 30.921 30.300 0.199 0.000 1.087 343 R HN 0.281 nan 8.270 nan 0.000 0.515 344 V N 2.370 122.496 119.914 0.353 0.000 2.585 344 V HA -0.057 4.156 4.120 0.156 0.000 0.296 344 V C 0.247 176.462 176.094 0.202 0.000 1.035 344 V CA 0.008 62.448 62.300 0.234 0.000 1.084 344 V CB -0.051 31.827 31.823 0.091 0.000 0.953 344 V HN 0.045 nan 8.190 nan 0.000 0.483 345 F N 4.722 124.694 119.950 0.036 0.000 2.429 345 F HA 0.432 5.053 4.527 0.156 0.000 0.348 345 F C 0.172 175.896 175.800 -0.128 0.000 1.109 345 F CA -0.410 57.544 58.000 -0.077 0.000 1.232 345 F CB 0.956 39.776 39.000 -0.301 0.000 1.157 345 F HN 0.652 nan 8.300 nan 0.000 0.564 346 D N 3.750 123.593 120.400 -0.928 0.000 2.736 346 D HA 0.125 4.858 4.640 0.156 0.000 0.243 346 D C 0.397 176.068 176.300 -1.049 0.000 1.304 346 D CA -0.348 53.204 54.000 -0.746 0.000 0.934 346 D CB 1.160 41.717 40.800 -0.406 0.000 1.382 346 D HN 0.685 nan 8.370 nan 0.000 0.571 347 E N 3.067 122.774 120.200 -0.822 0.000 2.077 347 E HA -0.210 4.233 4.350 0.156 0.000 0.193 347 E C 1.671 178.123 176.600 -0.245 0.000 0.989 347 E CA 1.408 57.515 56.400 -0.489 0.000 0.800 347 E CB 0.097 29.783 29.700 -0.024 0.000 0.746 347 E HN 0.552 nan 8.360 nan 0.000 0.452 348 A N 0.750 123.462 122.820 -0.180 0.000 1.877 348 A HA -0.090 4.323 4.320 0.156 0.000 0.216 348 A C 2.454 179.984 177.584 -0.089 0.000 1.186 348 A CA 1.730 53.714 52.037 -0.088 0.000 0.620 348 A CB -1.304 17.660 19.000 -0.061 0.000 0.822 348 A HN 0.461 nan 8.150 nan 0.000 0.443 349 G N -0.562 108.152 108.800 -0.144 0.000 2.440 349 G HA2 -0.009 4.045 3.960 0.156 0.000 0.218 349 G HA3 -0.009 4.045 3.960 0.156 0.000 0.218 349 G C 1.718 176.569 174.900 -0.082 0.000 1.154 349 G CA 1.494 46.536 45.100 -0.097 0.000 0.767 349 G HN 0.815 nan 8.290 nan 0.000 0.552 350 A N 0.361 123.072 122.820 -0.181 0.000 1.930 350 A HA 0.071 4.485 4.320 0.156 0.000 0.217 350 A C 2.311 179.890 177.584 -0.008 0.000 1.175 350 A CA 1.674 53.657 52.037 -0.090 0.000 0.627 350 A CB -0.395 18.540 19.000 -0.109 0.000 0.815 350 A HN 0.350 nan 8.150 nan 0.000 0.443 351 R N -0.509 119.990 120.500 -0.003 0.000 2.092 351 R HA -0.173 4.260 4.340 0.156 0.000 0.231 351 R C 2.101 178.442 176.300 0.068 0.000 1.119 351 R CA 1.723 57.855 56.100 0.053 0.000 0.970 351 R CB -0.157 30.177 30.300 0.058 0.000 0.864 351 R HN 0.466 nan 8.270 nan 0.000 0.440 352 E N 0.882 121.115 120.200 0.055 0.000 2.106 352 E HA -0.186 4.257 4.350 0.156 0.000 0.192 352 E C 1.312 177.979 176.600 0.112 0.000 0.984 352 E CA 1.737 58.187 56.400 0.084 0.000 0.806 352 E CB -0.328 29.413 29.700 0.069 0.000 0.750 352 E HN 0.298 nan 8.360 nan 0.000 0.458 353 D N -0.500 119.957 120.400 0.094 0.000 2.084 353 D HA -0.123 4.610 4.640 0.156 0.000 0.194 353 D C 1.932 178.259 176.300 0.045 0.000 0.990 353 D CA 1.351 55.431 54.000 0.134 0.000 0.826 353 D CB -0.114 40.749 40.800 0.104 0.000 0.971 353 D HN 0.248 nan 8.370 nan 0.000 0.453 354 L N -0.085 121.123 121.223 -0.025 0.000 2.141 354 L HA -0.051 4.382 4.340 0.156 0.000 0.209 354 L C 2.543 179.476 176.870 0.106 0.000 1.094 354 L CA 0.962 55.777 54.840 -0.041 0.000 0.763 354 L CB -0.618 41.454 42.059 0.021 0.000 0.908 354 L HN 0.060 nan 8.230 nan 0.000 0.437 355 A N 0.381 123.270 122.820 0.116 0.000 1.902 355 A HA -0.217 4.196 4.320 0.156 0.000 0.217 355 A C 2.225 179.904 177.584 0.158 0.000 1.181 355 A CA 1.510 53.635 52.037 0.146 0.000 0.623 355 A CB -0.594 18.532 19.000 0.209 0.000 0.818 355 A HN 0.321 nan 8.150 nan 0.000 0.443 356 L N -0.404 120.949 121.223 0.216 0.000 2.046 356 L HA -0.136 4.297 4.340 0.156 0.000 0.208 356 L C 2.461 179.586 176.870 0.425 0.000 1.077 356 L CA 2.073 57.129 54.840 0.360 0.000 0.747 356 L CB -0.560 41.745 42.059 0.412 0.000 0.896 356 L HN 0.451 nan 8.230 nan 0.000 0.432 357 M N -0.735 118.944 119.600 0.131 0.000 2.082 357 M HA -0.266 4.308 4.480 0.156 0.000 0.258 357 M C 2.195 178.508 176.300 0.020 0.000 1.069 357 M CA 1.933 57.151 55.300 -0.138 0.000 1.102 357 M CB -0.551 31.757 32.600 -0.487 0.000 1.336 357 M HN 0.175 nan 8.290 nan 0.000 0.404 358 K N 0.032 120.339 120.400 -0.156 0.000 2.097 358 K HA -0.123 4.290 4.320 0.156 0.000 0.206 358 K C 1.949 178.290 176.600 -0.432 0.000 1.049 358 K CA 1.157 57.066 56.287 -0.631 0.000 0.933 358 K CB -0.328 31.240 32.500 -1.553 0.000 0.717 358 K HN 0.437 nan 8.250 nan 0.000 0.442 359 R N -0.216 120.241 120.500 -0.073 0.000 2.193 359 R HA -0.063 4.370 4.340 0.156 0.000 0.229 359 R C 1.031 177.283 176.300 -0.080 0.000 1.110 359 R CA 0.889 57.013 56.100 0.039 0.000 0.988 359 R CB -0.058 30.247 30.300 0.008 0.000 0.871 359 R HN 0.141 nan 8.270 nan 0.000 0.458 360 F N 0.526 120.564 119.950 0.147 0.000 2.684 360 F HA 0.238 4.859 4.527 0.155 0.000 0.298 360 F C 0.185 176.096 175.800 0.185 0.000 1.120 360 F CA -0.478 57.620 58.000 0.163 0.000 1.332 360 F CB 0.253 39.359 39.000 0.177 0.000 0.986 360 F HN -0.063 nan 8.300 nan 0.000 0.524 361 N N -0.693 118.107 118.700 0.167 0.000 2.850 361 N HA -0.161 4.673 4.740 0.156 0.000 0.249 361 N C -0.458 175.146 175.510 0.156 0.000 1.060 361 N CA 0.448 53.545 53.050 0.079 0.000 0.825 361 N CB -1.643 36.841 38.487 -0.005 0.000 1.132 361 N HN 0.042 nan 8.380 nan 0.000 0.564 362 V N 2.104 122.151 119.914 0.223 0.000 2.529 362 V HA 0.046 4.260 4.120 0.156 0.000 0.292 362 V C 1.502 177.657 176.094 0.102 0.000 1.028 362 V CA 0.432 62.875 62.300 0.238 0.000 1.074 362 V CB 1.210 33.097 31.823 0.107 0.000 0.958 362 V HN 0.452 nan 8.190 nan 0.000 0.481 363 N N 2.744 121.528 118.700 0.141 0.000 2.184 363 N HA 0.386 5.220 4.740 0.156 0.000 0.206 363 N C -0.245 175.398 175.510 0.222 0.000 1.151 363 N CA 0.436 53.497 53.050 0.018 0.000 0.878 363 N CB 1.055 39.532 38.487 -0.018 0.000 1.014 363 N HN 0.687 nan 8.380 nan 0.000 0.512 364 A N 0.147 123.171 122.820 0.341 0.000 2.574 364 A HA 0.721 5.134 4.320 0.156 0.000 0.297 364 A C -1.620 176.140 177.584 0.294 0.000 1.062 364 A CA -0.714 51.567 52.037 0.407 0.000 0.686 364 A CB 1.101 20.337 19.000 0.393 0.000 1.285 364 A HN 0.147 nan 8.150 nan 0.000 0.403 365 I N 1.223 121.999 120.570 0.343 0.000 2.498 365 I HA 0.505 4.769 4.170 0.156 0.000 0.290 365 I C 0.050 176.272 176.117 0.176 0.000 1.032 365 I CA -0.487 60.897 61.300 0.141 0.000 1.073 365 I CB 2.124 40.004 38.000 -0.200 0.000 1.251 365 I HN 0.769 nan 8.210 nan 0.000 0.426 366 R N 3.851 124.374 120.500 0.037 0.000 2.338 366 R HA 0.401 4.834 4.340 0.156 0.000 0.317 366 R C -0.249 175.940 176.300 -0.185 0.000 0.968 366 R CA -0.398 55.533 56.100 -0.280 0.000 0.849 366 R CB 1.287 31.194 30.300 -0.655 0.000 1.128 366 R HN 0.724 nan 8.270 nan 0.000 0.448 367 T N 1.516 115.967 114.554 -0.171 0.000 3.185 367 T HA 0.124 4.567 4.350 0.156 0.000 0.287 367 T C 0.018 174.554 174.700 -0.273 0.000 1.051 367 T CA -0.674 61.326 62.100 -0.166 0.000 1.051 367 T CB -0.007 68.807 68.868 -0.089 0.000 1.034 367 T HN 0.502 nan 8.240 nan 0.000 0.685 368 S N 3.380 118.859 115.700 -0.369 0.000 2.439 368 S HA 0.276 4.839 4.470 0.156 0.000 0.282 368 S C -0.310 173.701 174.600 -0.981 0.000 1.170 368 S CA -0.914 56.866 58.200 -0.700 0.000 1.054 368 S CB 0.069 62.886 63.200 -0.638 0.000 0.956 368 S HN 0.764 nan 8.310 nan 0.000 0.490 369 H N 3.789 122.368 119.070 -0.818 0.000 2.379 369 H HA 0.337 4.986 4.556 0.155 0.000 0.229 369 H C -1.181 173.999 175.328 -0.246 0.000 1.423 369 H CA -0.339 55.511 56.048 -0.330 0.000 1.375 369 H CB -0.087 29.626 29.762 -0.082 0.000 1.592 369 H HN 0.893 nan 8.280 nan 0.000 0.507 370 Y N -2.620 117.731 120.300 0.085 0.000 2.841 370 Y HA 0.365 5.008 4.550 0.156 0.000 0.373 370 Y C -3.412 172.513 175.900 0.041 0.000 1.170 370 Y CA -2.925 55.211 58.100 0.060 0.000 1.196 370 Y CB -0.004 38.484 38.460 0.047 0.000 1.433 370 Y HN -0.055 nan 8.280 nan 0.000 0.479 371 P HA 0.227 nan 4.420 nan 0.000 0.271 371 P C -2.445 174.980 177.300 0.208 0.000 1.216 371 P CA -0.684 62.514 63.100 0.165 0.000 0.776 371 P CB 0.594 32.342 31.700 0.079 0.000 0.881 372 P HA 0.044 nan 4.420 nan 0.000 0.289 372 P C -0.288 176.979 177.300 -0.055 0.000 1.299 372 P CA -0.186 62.975 63.100 0.102 0.000 0.766 372 P CB 0.382 32.104 31.700 0.037 0.000 1.226 373 H N 1.391 120.335 119.070 -0.210 0.000 2.972 373 H HA 0.003 4.652 4.556 0.156 0.000 0.343 373 H C -1.260 173.648 175.328 -0.701 0.000 1.054 373 H CA -0.642 55.100 56.048 -0.510 0.000 1.412 373 H CB 0.447 29.721 29.762 -0.814 0.000 1.385 373 H HN 0.185 nan 8.280 nan 0.000 0.600 374 P HA -0.149 nan 4.420 nan 0.000 0.220 374 P C 1.483 178.170 177.300 -1.021 0.000 1.148 374 P CA 0.993 63.446 63.100 -1.077 0.000 0.803 374 P CB 0.260 30.828 31.700 -1.887 0.000 0.782 375 R N 0.319 120.312 120.500 -0.845 0.000 2.152 375 R HA -0.086 4.347 4.340 0.156 0.000 0.232 375 R C 2.218 178.386 176.300 -0.221 0.000 1.117 375 R CA 0.827 56.698 56.100 -0.383 0.000 0.981 375 R CB -1.814 28.363 30.300 -0.206 0.000 0.870 375 R HN 0.122 nan 8.270 nan 0.000 0.451 376 L N -0.109 120.894 121.223 -0.366 0.000 2.131 376 L HA -0.072 4.361 4.340 0.156 0.000 0.210 376 L C 1.752 178.555 176.870 -0.112 0.000 1.092 376 L CA 1.534 56.320 54.840 -0.090 0.000 0.759 376 L CB -0.206 41.831 42.059 -0.037 0.000 0.903 376 L HN 0.251 nan 8.230 nan 0.000 0.435 377 L N -0.789 120.271 121.223 -0.272 0.000 2.141 377 L HA -0.191 4.242 4.340 0.156 0.000 0.209 377 L C 2.150 178.877 176.870 -0.239 0.000 1.094 377 L CA 1.063 55.653 54.840 -0.417 0.000 0.763 377 L CB -0.780 40.685 42.059 -0.990 0.000 0.908 377 L HN 0.246 nan 8.230 nan 0.000 0.437 378 D N 0.047 120.445 120.400 -0.002 0.000 2.123 378 D HA -0.167 4.567 4.640 0.156 0.000 0.196 378 D C 2.360 178.775 176.300 0.191 0.000 0.992 378 D CA 1.269 55.413 54.000 0.240 0.000 0.833 378 D CB -0.144 40.885 40.800 0.381 0.000 0.954 378 D HN 0.277 nan 8.370 nan 0.000 0.455 379 L N 0.584 121.902 121.223 0.158 0.000 2.046 379 L HA -0.146 4.287 4.340 0.156 0.000 0.208 379 L C 2.582 179.572 176.870 0.200 0.000 1.077 379 L CA 1.156 56.099 54.840 0.171 0.000 0.747 379 L CB -0.478 41.680 42.059 0.164 0.000 0.896 379 L HN -0.031 nan 8.230 nan 0.000 0.432 380 A N 0.028 122.946 122.820 0.164 0.000 1.902 380 A HA -0.229 4.184 4.320 0.156 0.000 0.217 380 A C 1.924 179.716 177.584 0.347 0.000 1.181 380 A CA 1.967 54.169 52.037 0.275 0.000 0.623 380 A CB -0.538 18.544 19.000 0.137 0.000 0.818 380 A HN 0.358 nan 8.150 nan 0.000 0.443 381 D N -0.635 119.921 120.400 0.261 0.000 2.123 381 D HA -0.181 4.552 4.640 0.156 0.000 0.196 381 D C 1.894 178.476 176.300 0.470 0.000 0.992 381 D CA 1.675 55.876 54.000 0.335 0.000 0.833 381 D CB -0.311 40.607 40.800 0.198 0.000 0.954 381 D HN 0.779 nan 8.370 nan 0.000 0.455 382 E N -0.322 120.055 120.200 0.295 0.000 2.076 382 E HA -0.057 4.386 4.350 0.156 0.000 0.190 382 E C 2.019 178.702 176.600 0.138 0.000 0.979 382 E CA 0.474 57.004 56.400 0.215 0.000 0.807 382 E CB 0.087 29.892 29.700 0.175 0.000 0.761 382 E HN 0.181 nan 8.360 nan 0.000 0.454 383 M N -0.567 119.111 119.600 0.130 0.000 2.435 383 M HA 0.171 4.744 4.480 0.156 0.000 0.265 383 M C 0.649 176.786 176.300 -0.272 0.000 1.104 383 M CA 0.846 56.142 55.300 -0.006 0.000 1.140 383 M CB 0.867 33.517 32.600 0.083 0.000 1.372 383 M HN 0.220 nan 8.290 nan 0.000 0.456 384 G N 1.674 110.353 108.800 -0.202 0.000 2.858 384 G HA2 -0.129 3.924 3.960 0.156 0.000 0.272 384 G HA3 -0.129 3.924 3.960 0.156 0.000 0.272 384 G C -1.036 173.403 174.900 -0.768 0.000 1.003 384 G CA -0.874 43.923 45.100 -0.503 0.000 1.241 384 G HN 0.266 nan 8.290 nan 0.000 0.569 385 F N -0.351 119.515 119.950 -0.139 0.000 2.578 385 F HA 0.681 5.301 4.527 0.155 0.000 0.311 385 F C 0.379 176.202 175.800 0.037 0.000 1.094 385 F CA -1.225 56.692 58.000 -0.139 0.000 0.923 385 F CB 1.417 40.388 39.000 -0.047 0.000 1.230 385 F HN 0.333 nan 8.300 nan 0.000 0.450 386 W N 2.838 124.357 121.300 0.365 0.000 2.253 386 W HA 0.551 5.305 4.660 0.155 0.000 0.322 386 W C -0.783 175.942 176.519 0.343 0.000 1.342 386 W CA -0.620 56.951 57.345 0.377 0.000 1.218 386 W CB 0.604 30.282 29.460 0.364 0.000 1.205 386 W HN 0.067 nan 8.180 nan 0.000 0.551 387 V N 5.714 125.905 119.914 0.462 0.000 2.495 387 V HA 0.380 4.593 4.120 0.156 0.000 0.298 387 V C -0.040 176.101 176.094 0.079 0.000 1.031 387 V CA -1.118 61.313 62.300 0.220 0.000 0.871 387 V CB 1.655 33.533 31.823 0.091 0.000 0.988 387 V HN 0.330 nan 8.190 nan 0.000 0.432 388 I N 5.533 126.068 120.570 -0.058 0.000 2.307 388 I HA 0.290 4.553 4.170 0.156 0.000 0.289 388 I C -0.546 175.488 176.117 -0.139 0.000 1.021 388 I CA -0.391 60.778 61.300 -0.218 0.000 1.224 388 I CB 1.215 38.883 38.000 -0.553 0.000 1.376 388 I HN 0.290 nan 8.210 nan 0.000 0.470 389 L N 7.740 128.934 121.223 -0.049 0.000 2.257 389 L HA 0.429 4.862 4.340 0.156 0.000 0.290 389 L C -0.231 176.748 176.870 0.181 0.000 1.044 389 L CA 0.054 54.940 54.840 0.077 0.000 0.810 389 L CB 1.206 43.367 42.059 0.171 0.000 1.193 389 L HN 0.663 nan 8.230 nan 0.000 0.425 390 E N 3.996 124.262 120.200 0.109 0.000 2.166 390 E HA 0.186 4.630 4.350 0.156 0.000 0.275 390 E C -0.818 175.864 176.600 0.137 0.000 0.941 390 E CA -0.601 55.875 56.400 0.126 0.000 0.784 390 E CB 1.627 31.375 29.700 0.080 0.000 1.115 390 E HN 0.788 nan 8.360 nan 0.000 0.399 391 C N 3.815 123.188 119.300 0.122 0.000 2.679 391 C HA 0.052 4.606 4.460 0.156 0.000 0.417 391 C C 0.381 175.438 174.990 0.112 0.000 1.302 391 C CA -0.159 58.903 59.018 0.074 0.000 1.973 391 C CB -0.035 27.704 27.740 -0.001 0.000 2.715 391 C HN 0.757 nan 8.230 nan 0.000 0.628 392 D N 3.374 123.847 120.400 0.121 0.000 2.455 392 D HA 0.387 5.120 4.640 0.156 0.000 0.234 392 D C -0.758 175.609 176.300 0.113 0.000 1.224 392 D CA 0.343 54.450 54.000 0.178 0.000 0.999 392 D CB -0.347 40.545 40.800 0.154 0.000 1.072 392 D HN 0.493 nan 8.370 nan 0.000 0.514 393 L N 2.867 124.156 121.223 0.110 0.000 2.614 393 L HA 0.457 4.891 4.340 0.156 0.000 0.264 393 L C -1.742 175.167 176.870 0.066 0.000 0.940 393 L CA -0.310 54.564 54.840 0.057 0.000 0.903 393 L CB 2.029 44.072 42.059 -0.027 0.000 1.306 393 L HN 0.198 nan 8.230 nan 0.000 0.410 394 E N 2.003 122.259 120.200 0.093 0.000 2.349 394 E HA 0.431 4.875 4.350 0.156 0.000 0.290 394 E C -0.909 175.812 176.600 0.202 0.000 0.901 394 E CA 0.168 56.629 56.400 0.102 0.000 0.800 394 E CB 1.429 31.162 29.700 0.055 0.000 1.303 394 E HN 0.635 nan 8.360 nan 0.000 0.397 395 T N 0.547 115.265 114.554 0.273 0.000 3.266 395 T HA 0.140 4.583 4.350 0.156 0.000 0.278 395 T C 1.035 176.115 174.700 0.634 0.000 1.010 395 T CA -0.239 62.165 62.100 0.507 0.000 0.909 395 T CB -0.245 68.831 68.868 0.345 0.000 1.122 395 T HN 0.641 nan 8.240 nan 0.000 0.536 396 H N 1.242 120.459 119.070 0.246 0.000 2.394 396 H HA -0.092 4.557 4.556 0.155 0.000 0.297 396 H C 2.384 177.667 175.328 -0.075 0.000 1.113 396 H CA 1.122 57.251 56.048 0.134 0.000 1.277 396 H CB -0.332 29.413 29.762 -0.029 0.000 1.370 396 H HN 0.570 nan 8.280 nan 0.000 0.506 397 G N -0.665 108.023 108.800 -0.186 0.000 2.501 397 G HA2 -0.240 3.813 3.960 0.156 0.000 0.220 397 G HA3 -0.240 3.813 3.960 0.156 0.000 0.220 397 G C 1.076 175.897 174.900 -0.133 0.000 1.114 397 G CA 0.357 45.260 45.100 -0.328 0.000 0.757 397 G HN 0.369 nan 8.290 nan 0.000 0.559 398 F N 0.339 120.323 119.950 0.057 0.000 2.661 398 F HA 0.139 4.759 4.527 0.156 0.000 0.298 398 F C 2.341 177.763 175.800 -0.631 0.000 1.137 398 F CA 0.839 58.793 58.000 -0.077 0.000 1.454 398 F CB 0.170 39.301 39.000 0.218 0.000 1.103 398 F HN 0.248 nan 8.300 nan 0.000 0.577 399 E N 0.707 120.312 120.200 -0.991 0.000 2.051 399 E HA -0.232 4.211 4.350 0.156 0.000 0.192 399 E C 2.442 178.610 176.600 -0.720 0.000 0.991 399 E CA 1.129 56.625 56.400 -1.508 0.000 0.799 399 E CB -0.121 29.027 29.700 -0.921 0.000 0.748 399 E HN 0.312 nan 8.360 nan 0.000 0.449 400 A N 0.599 123.155 122.820 -0.440 0.000 1.940 400 A HA -0.109 4.305 4.320 0.156 0.000 0.219 400 A C 2.197 179.657 177.584 -0.206 0.000 1.176 400 A CA 1.614 53.485 52.037 -0.277 0.000 0.631 400 A CB -0.857 18.000 19.000 -0.239 0.000 0.814 400 A HN 0.395 nan 8.150 nan 0.000 0.446 401 G N -1.735 106.953 108.800 -0.187 0.000 3.279 401 G HA2 0.398 4.451 3.960 0.156 0.000 0.230 401 G HA3 0.398 4.451 3.960 0.156 0.000 0.230 401 G C 1.029 175.899 174.900 -0.051 0.000 1.230 401 G CA 0.442 45.488 45.100 -0.090 0.000 0.891 401 G HN 1.606 nan 8.290 nan 0.000 0.518 402 G N -1.107 107.617 108.800 -0.127 0.000 2.176 402 G HA2 -0.289 3.765 3.960 0.156 0.000 0.252 402 G HA3 -0.289 3.765 3.960 0.156 0.000 0.252 402 G C 0.562 175.558 174.900 0.160 0.000 1.024 402 G CA 0.130 45.224 45.100 -0.010 0.000 0.755 402 G HN 0.910 nan 8.290 nan 0.000 0.507 403 W N -3.723 117.664 121.300 0.144 0.000 3.520 403 W HA -0.240 4.513 4.660 0.156 0.000 0.305 403 W C 0.982 177.579 176.519 0.131 0.000 1.150 403 W CA 0.193 57.633 57.345 0.158 0.000 0.656 403 W CB -2.059 27.460 29.460 0.098 0.000 2.198 403 W HN 0.538 nan 8.180 nan 0.000 1.417 404 V N 2.455 122.543 119.914 0.291 0.000 2.585 404 V HA -0.008 4.206 4.120 0.156 0.000 0.296 404 V C 1.386 177.628 176.094 0.247 0.000 1.035 404 V CA 0.820 63.250 62.300 0.216 0.000 1.084 404 V CB 1.057 32.970 31.823 0.150 0.000 0.953 404 V HN 0.293 nan 8.190 nan 0.000 0.483 405 E N 1.914 122.197 120.200 0.138 0.000 3.286 405 E HA -0.217 4.227 4.350 0.156 0.000 0.292 405 E C 0.401 176.843 176.600 -0.264 0.000 0.928 405 E CA 0.804 57.242 56.400 0.062 0.000 0.982 405 E CB -1.723 28.081 29.700 0.173 0.000 1.500 405 E HN 0.896 nan 8.360 nan 0.000 0.441 406 N N 1.707 120.247 118.700 -0.266 0.000 2.365 406 N HA -0.007 4.827 4.740 0.156 0.000 0.265 406 N C -1.574 173.621 175.510 -0.524 0.000 1.288 406 N CA -0.993 51.722 53.050 -0.557 0.000 0.869 406 N CB 0.802 39.309 38.487 0.034 0.000 1.071 406 N HN -0.154 nan 8.380 nan 0.000 0.480 407 P HA -0.099 nan 4.420 nan 0.000 0.218 407 P C 0.801 177.869 177.300 -0.388 0.000 1.146 407 P CA 1.118 63.720 63.100 -0.831 0.000 0.813 407 P CB 0.204 31.020 31.700 -1.474 0.000 0.778 408 S N -1.053 114.449 115.700 -0.330 0.000 2.465 408 S HA -0.158 4.406 4.470 0.156 0.000 0.241 408 S C 1.289 175.778 174.600 -0.185 0.000 1.000 408 S CA 1.497 59.547 58.200 -0.249 0.000 0.964 408 S CB -0.564 62.473 63.200 -0.271 0.000 0.763 408 S HN 0.220 nan 8.310 nan 0.000 0.512 409 D N 0.224 120.539 120.400 -0.141 0.000 2.582 409 D HA 0.200 4.933 4.640 0.156 0.000 0.246 409 D C -0.976 175.306 176.300 -0.031 0.000 1.334 409 D CA -0.008 53.941 54.000 -0.085 0.000 0.805 409 D CB 0.663 41.418 40.800 -0.074 0.000 1.087 409 D HN -0.028 nan 8.370 nan 0.000 0.499 410 V N 2.098 122.019 119.914 0.012 0.000 2.347 410 V HA 0.288 4.501 4.120 0.156 0.000 0.280 410 V C -1.416 174.736 176.094 0.097 0.000 1.021 410 V CA -1.436 60.918 62.300 0.090 0.000 0.847 410 V CB 1.842 33.797 31.823 0.220 0.000 0.990 410 V HN -0.024 nan 8.190 nan 0.000 0.444 411 P HA -0.161 nan 4.420 nan 0.000 0.218 411 P C 1.463 178.747 177.300 -0.026 0.000 1.146 411 P CA 1.447 64.545 63.100 -0.004 0.000 0.813 411 P CB 0.287 31.973 31.700 -0.023 0.000 0.778 412 A N -1.932 120.844 122.820 -0.074 0.000 2.070 412 A HA -0.132 4.282 4.320 0.156 0.000 0.220 412 A C 1.542 178.978 177.584 -0.248 0.000 1.159 412 A CA 1.018 52.926 52.037 -0.216 0.000 0.656 412 A CB -1.587 17.195 19.000 -0.363 0.000 0.800 412 A HN 0.293 nan 8.150 nan 0.000 0.453 413 W N -1.053 120.189 121.300 -0.097 0.000 3.278 413 W HA 0.299 5.052 4.660 0.156 0.000 0.308 413 W C 2.071 178.530 176.519 -0.101 0.000 1.253 413 W CA -0.078 57.209 57.345 -0.096 0.000 1.759 413 W CB 0.167 29.564 29.460 -0.106 0.000 1.093 413 W HN 0.255 nan 8.180 nan 0.000 0.648 414 R N 0.999 121.551 120.500 0.087 0.000 2.070 414 R HA -0.163 4.270 4.340 0.156 0.000 0.233 414 R C 1.400 177.684 176.300 -0.026 0.000 1.137 414 R CA 2.236 58.341 56.100 0.009 0.000 0.945 414 R CB -0.328 29.958 30.300 -0.023 0.000 0.845 414 R HN 0.011 nan 8.270 nan 0.000 0.430 415 D N 0.265 120.644 120.400 -0.036 0.000 2.178 415 D HA -0.123 4.610 4.640 0.156 0.000 0.201 415 D C 1.686 177.946 176.300 -0.067 0.000 0.980 415 D CA 1.385 55.347 54.000 -0.064 0.000 0.842 415 D CB -0.233 40.528 40.800 -0.065 0.000 0.948 415 D HN 0.401 nan 8.370 nan 0.000 0.472 416 A N 0.358 123.171 122.820 -0.011 0.000 1.902 416 A HA -0.143 4.270 4.320 0.156 0.000 0.217 416 A C 2.129 179.702 177.584 -0.019 0.000 1.181 416 A CA 1.003 53.051 52.037 0.019 0.000 0.623 416 A CB -0.615 18.474 19.000 0.148 0.000 0.818 416 A HN 0.148 nan 8.150 nan 0.000 0.443 417 L N -0.597 120.614 121.223 -0.020 0.000 2.056 417 L HA -0.098 4.335 4.340 0.156 0.000 0.207 417 L C 2.550 179.321 176.870 -0.164 0.000 1.078 417 L CA 1.329 56.117 54.840 -0.085 0.000 0.749 417 L CB -0.606 41.397 42.059 -0.095 0.000 0.901 417 L HN 0.202 nan 8.230 nan 0.000 0.433 418 V N -0.536 119.266 119.914 -0.185 0.000 2.427 418 V HA -0.291 3.922 4.120 0.156 0.000 0.248 418 V C 2.197 178.037 176.094 -0.424 0.000 1.051 418 V CA 1.800 63.922 62.300 -0.295 0.000 1.048 418 V CB -0.588 31.084 31.823 -0.251 0.000 0.666 418 V HN 0.489 nan 8.190 nan 0.000 0.456 419 D N 0.032 120.247 120.400 -0.307 0.000 2.123 419 D HA -0.211 4.523 4.640 0.156 0.000 0.196 419 D C 2.352 178.472 176.300 -0.298 0.000 0.992 419 D CA 1.447 55.262 54.000 -0.308 0.000 0.833 419 D CB -0.057 40.628 40.800 -0.191 0.000 0.954 419 D HN 0.322 nan 8.370 nan 0.000 0.455 420 R N -0.767 119.604 120.500 -0.216 0.000 2.083 420 R HA -0.166 4.267 4.340 0.156 0.000 0.237 420 R C 2.273 178.422 176.300 -0.252 0.000 1.137 420 R CA 1.603 57.595 56.100 -0.179 0.000 0.951 420 R CB -0.386 29.853 30.300 -0.102 0.000 0.851 420 R HN 0.294 nan 8.270 nan 0.000 0.434 421 M N 1.097 120.505 119.600 -0.320 0.000 2.117 421 M HA -0.170 4.403 4.480 0.156 0.000 0.262 421 M C 2.029 177.987 176.300 -0.570 0.000 1.065 421 M CA 1.716 56.795 55.300 -0.369 0.000 1.114 421 M CB -0.177 32.236 32.600 -0.312 0.000 1.361 421 M HN 0.105 nan 8.290 nan 0.000 0.408 422 E N -0.460 119.209 120.200 -0.885 0.000 2.051 422 E HA -0.248 4.195 4.350 0.156 0.000 0.192 422 E C 2.063 178.352 176.600 -0.518 0.000 0.991 422 E CA 1.485 57.194 56.400 -1.151 0.000 0.799 422 E CB -0.064 28.911 29.700 -1.210 0.000 0.748 422 E HN 0.525 nan 8.360 nan 0.000 0.449 423 R N -0.224 120.050 120.500 -0.377 0.000 2.092 423 R HA -0.052 4.381 4.340 0.156 0.000 0.231 423 R C 2.478 178.657 176.300 -0.202 0.000 1.119 423 R CA 1.738 57.698 56.100 -0.235 0.000 0.970 423 R CB -0.292 29.899 30.300 -0.182 0.000 0.864 423 R HN 0.183 nan 8.270 nan 0.000 0.440 424 T N 0.394 114.810 114.554 -0.231 0.000 2.674 424 T HA -0.103 4.340 4.350 0.156 0.000 0.265 424 T C 1.949 176.457 174.700 -0.320 0.000 1.039 424 T CA 1.404 63.388 62.100 -0.193 0.000 1.150 424 T CB -0.155 68.612 68.868 -0.167 0.000 0.864 424 T HN -0.016 nan 8.240 nan 0.000 0.427 425 V N 1.645 121.226 119.914 -0.556 0.000 2.307 425 V HA -0.098 4.115 4.120 0.156 0.000 0.245 425 V C 2.672 178.542 176.094 -0.374 0.000 1.045 425 V CA 1.459 63.231 62.300 -0.880 0.000 1.024 425 V CB -0.472 30.906 31.823 -0.742 0.000 0.651 425 V HN 0.431 nan 8.190 nan 0.000 0.449 426 E N 0.012 120.080 120.200 -0.219 0.000 2.106 426 E HA -0.219 4.225 4.350 0.156 0.000 0.192 426 E C 2.301 178.840 176.600 -0.100 0.000 0.984 426 E CA 0.911 57.223 56.400 -0.148 0.000 0.806 426 E CB -0.301 29.347 29.700 -0.087 0.000 0.750 426 E HN 0.487 nan 8.360 nan 0.000 0.458 427 R N 0.708 121.170 120.500 -0.064 0.000 2.081 427 R HA -0.136 4.297 4.340 0.156 0.000 0.235 427 R C 0.665 177.023 176.300 0.097 0.000 1.131 427 R CA 1.548 57.657 56.100 0.015 0.000 0.960 427 R CB 0.201 30.497 30.300 -0.006 0.000 0.856 427 R HN -0.002 nan 8.270 nan 0.000 0.436 428 D N -0.659 119.835 120.400 0.158 0.000 2.431 428 D HA -0.014 4.720 4.640 0.156 0.000 0.213 428 D C 0.966 177.462 176.300 0.327 0.000 1.130 428 D CA 0.174 54.385 54.000 0.352 0.000 0.834 428 D CB 0.514 41.563 40.800 0.415 0.000 0.985 428 D HN 0.397 nan 8.370 nan 0.000 0.504 429 K N 0.343 120.818 120.400 0.125 0.000 2.360 429 K HA -0.038 4.375 4.320 0.156 0.000 0.201 429 K C 1.132 177.694 176.600 -0.063 0.000 1.046 429 K CA 0.789 57.063 56.287 -0.022 0.000 0.945 429 K CB 0.051 32.133 32.500 -0.696 0.000 0.750 429 K HN -0.101 nan 8.250 nan 0.000 0.464 430 N N 0.759 119.401 118.700 -0.096 0.000 2.467 430 N HA -0.038 4.795 4.740 0.156 0.000 0.184 430 N C -0.326 175.116 175.510 -0.115 0.000 1.106 430 N CA 0.365 53.397 53.050 -0.031 0.000 0.892 430 N CB 0.052 38.476 38.487 -0.104 0.000 0.969 430 N HN 0.325 nan 8.380 nan 0.000 0.454 431 H N 1.374 120.466 119.070 0.036 0.000 2.800 431 H HA 0.098 4.747 4.556 0.156 0.000 0.291 431 H C -1.213 174.007 175.328 -0.180 0.000 1.076 431 H CA -1.331 54.684 56.048 -0.055 0.000 1.452 431 H CB 1.385 31.129 29.762 -0.029 0.000 1.461 431 H HN 0.103 nan 8.280 nan 0.000 0.488 432 P HA -0.135 nan 4.420 nan 0.000 0.223 432 P C 1.377 178.259 177.300 -0.696 0.000 1.151 432 P CA 0.910 63.695 63.100 -0.525 0.000 0.787 432 P CB 0.298 31.433 31.700 -0.943 0.000 0.788 433 S N -0.184 115.132 115.700 -0.640 0.000 2.423 433 S HA -0.064 4.500 4.470 0.156 0.000 0.231 433 S C 1.194 175.817 174.600 0.038 0.000 1.014 433 S CA 0.340 58.356 58.200 -0.306 0.000 0.965 433 S CB -1.262 61.946 63.200 0.013 0.000 0.785 433 S HN 0.090 nan 8.310 nan 0.000 0.495 434 I N 3.162 123.699 120.570 -0.055 0.000 2.421 434 I HA 0.105 4.368 4.170 0.156 0.000 0.291 434 I C 0.973 177.032 176.117 -0.096 0.000 1.089 434 I CA -0.380 60.849 61.300 -0.118 0.000 1.354 434 I CB 1.311 39.117 38.000 -0.323 0.000 1.413 434 I HN 0.185 nan 8.210 nan 0.000 0.513 435 V N 3.603 123.540 119.914 0.037 0.000 3.556 435 V HA 0.401 4.615 4.120 0.156 0.000 0.287 435 V C 0.414 176.570 176.094 0.104 0.000 1.422 435 V CA 0.000 62.387 62.300 0.145 0.000 1.038 435 V CB -0.060 31.999 31.823 0.393 0.000 0.850 435 V HN 0.641 nan 8.190 nan 0.000 0.437 436 M N -0.376 119.176 119.600 -0.081 0.000 2.433 436 M HA 0.480 5.053 4.480 0.156 0.000 0.290 436 M C -1.962 174.223 176.300 -0.191 0.000 1.173 436 M CA -0.231 55.026 55.300 -0.071 0.000 0.905 436 M CB 2.764 35.346 32.600 -0.030 0.000 1.692 436 M HN 0.168 nan 8.290 nan 0.000 0.462 437 W N 0.712 122.077 121.300 0.108 0.000 2.417 437 W HA 0.603 5.356 4.660 0.156 0.000 0.317 437 W C 0.273 176.847 176.519 0.092 0.000 1.121 437 W CA -0.523 56.870 57.345 0.079 0.000 1.208 437 W CB 1.504 31.016 29.460 0.087 0.000 1.253 437 W HN 0.498 nan 8.180 nan 0.000 0.533 438 S N 2.842 118.753 115.700 0.351 0.000 2.482 438 S HA 0.378 4.942 4.470 0.156 0.000 0.303 438 S C 0.608 175.344 174.600 0.227 0.000 1.091 438 S CA -0.713 57.676 58.200 0.314 0.000 1.057 438 S CB 0.844 64.215 63.200 0.285 0.000 1.031 438 S HN 0.581 nan 8.310 nan 0.000 0.485 439 L N 3.794 125.122 121.223 0.175 0.000 2.291 439 L HA 0.291 4.724 4.340 0.156 0.000 0.214 439 L C 1.469 178.313 176.870 -0.044 0.000 1.120 439 L CA 0.686 55.517 54.840 -0.016 0.000 0.799 439 L CB -0.945 40.980 42.059 -0.225 0.000 0.925 439 L HN 0.916 nan 8.230 nan 0.000 0.446 440 G N -0.508 108.354 108.800 0.103 0.000 2.332 440 G HA2 -0.016 4.037 3.960 0.156 0.000 0.265 440 G HA3 -0.016 4.037 3.960 0.156 0.000 0.265 440 G C -1.940 173.084 174.900 0.207 0.000 1.329 440 G CA -0.610 44.548 45.100 0.097 0.000 0.949 440 G HN 0.073 nan 8.290 nan 0.000 0.476 441 N N 0.298 119.057 118.700 0.098 0.000 2.336 441 N HA 0.476 5.309 4.740 0.156 0.000 0.290 441 N C -0.347 175.107 175.510 -0.093 0.000 1.058 441 N CA -0.027 52.969 53.050 -0.091 0.000 0.865 441 N CB 1.602 39.715 38.487 -0.622 0.000 1.581 441 N HN 0.789 nan 8.380 nan 0.000 0.480 442 E N 0.968 121.063 120.200 -0.175 0.000 2.183 442 E HA -0.176 4.267 4.350 0.156 0.000 0.196 442 E C -0.786 175.830 176.600 0.028 0.000 1.364 442 E CA 0.692 56.943 56.400 -0.249 0.000 0.700 442 E CB -1.371 27.915 29.700 -0.691 0.000 1.106 442 E HN 0.438 nan 8.360 nan 0.000 0.347 443 S N -0.058 115.698 115.700 0.093 0.000 2.741 443 S HA 0.404 4.967 4.470 0.156 0.000 0.247 443 S C 0.724 175.109 174.600 -0.358 0.000 1.050 443 S CA -0.069 58.169 58.200 0.064 0.000 1.025 443 S CB 1.324 64.527 63.200 0.005 0.000 0.897 443 S HN 0.831 nan 8.310 nan 0.000 0.508 444 G N 1.727 110.004 108.800 -0.871 0.000 2.575 444 G HA2 -0.236 3.818 3.960 0.156 0.000 0.267 444 G HA3 -0.236 3.818 3.960 0.156 0.000 0.267 444 G C -0.066 174.479 174.900 -0.591 0.000 1.264 444 G CA 0.266 44.473 45.100 -1.488 0.000 0.935 444 G HN 0.570 nan 8.290 nan 0.000 0.568 445 T N -1.289 112.950 114.554 -0.524 0.000 2.887 445 T HA 0.881 5.324 4.350 0.156 0.000 0.292 445 T C 0.182 174.776 174.700 -0.178 0.000 1.087 445 T CA 0.990 62.990 62.100 -0.166 0.000 1.009 445 T CB 1.413 70.263 68.868 -0.031 0.000 1.203 445 T HN 2.619 nan 8.240 nan 0.000 0.518 446 G N 0.175 108.905 108.800 -0.117 0.000 2.325 446 G HA2 0.356 4.409 3.960 0.156 0.000 0.297 446 G HA3 0.356 4.409 3.960 0.156 0.000 0.297 446 G C 0.516 175.295 174.900 -0.201 0.000 1.448 446 G CA 0.490 45.502 45.100 -0.146 0.000 0.838 446 G HN 0.719 nan 8.290 nan 0.000 0.579 447 S N -0.565 115.045 115.700 -0.151 0.000 2.382 447 S HA -0.126 4.437 4.470 0.156 0.000 0.228 447 S C 2.129 176.601 174.600 -0.212 0.000 1.027 447 S CA 2.148 60.253 58.200 -0.159 0.000 0.991 447 S CB -0.344 62.801 63.200 -0.091 0.000 0.823 447 S HN 0.519 nan 8.310 nan 0.000 0.469 448 N N 1.584 120.168 118.700 -0.194 0.000 2.166 448 N HA -0.001 4.832 4.740 0.156 0.000 0.186 448 N C 1.732 177.068 175.510 -0.289 0.000 1.019 448 N CA 1.060 53.993 53.050 -0.194 0.000 0.856 448 N CB -0.649 37.753 38.487 -0.141 0.000 0.993 448 N HN 0.399 nan 8.380 nan 0.000 0.426 449 L N 0.715 121.697 121.223 -0.402 0.000 2.046 449 L HA -0.086 4.347 4.340 0.156 0.000 0.208 449 L C 2.388 178.792 176.870 -0.776 0.000 1.077 449 L CA 1.120 55.621 54.840 -0.565 0.000 0.747 449 L CB -0.476 41.209 42.059 -0.622 0.000 0.896 449 L HN 0.115 nan 8.230 nan 0.000 0.432 450 A N -0.144 122.078 122.820 -0.997 0.000 1.972 450 A HA -0.177 4.236 4.320 0.156 0.000 0.219 450 A C 2.475 179.850 177.584 -0.348 0.000 1.169 450 A CA 1.720 53.243 52.037 -0.858 0.000 0.635 450 A CB -0.630 18.036 19.000 -0.556 0.000 0.810 450 A HN 0.423 nan 8.150 nan 0.000 0.446 451 A N -0.595 122.068 122.820 -0.263 0.000 1.929 451 A HA -0.028 4.386 4.320 0.156 0.000 0.216 451 A C 2.196 179.728 177.584 -0.086 0.000 1.176 451 A CA 1.575 53.538 52.037 -0.124 0.000 0.628 451 A CB -0.504 18.437 19.000 -0.099 0.000 0.816 451 A HN 0.534 nan 8.150 nan 0.000 0.444 452 M N -0.316 119.188 119.600 -0.161 0.000 2.086 452 M HA -0.152 4.421 4.480 0.156 0.000 0.261 452 M C 2.514 178.776 176.300 -0.063 0.000 1.067 452 M CA 1.603 56.831 55.300 -0.119 0.000 1.116 452 M CB -0.441 32.043 32.600 -0.193 0.000 1.348 452 M HN 0.443 nan 8.290 nan 0.000 0.407 453 A N 0.356 123.095 122.820 -0.134 0.000 1.933 453 A HA -0.015 4.398 4.320 0.156 0.000 0.218 453 A C 2.389 179.854 177.584 -0.199 0.000 1.175 453 A CA 1.829 53.765 52.037 -0.168 0.000 0.628 453 A CB -0.922 18.039 19.000 -0.064 0.000 0.814 453 A HN 0.498 nan 8.150 nan 0.000 0.444 454 A N -1.644 121.154 122.820 -0.037 0.000 1.933 454 A HA -0.154 4.260 4.320 0.156 0.000 0.218 454 A C 1.986 179.613 177.584 0.072 0.000 1.175 454 A CA 1.466 53.541 52.037 0.063 0.000 0.628 454 A CB -0.838 18.197 19.000 0.059 0.000 0.814 454 A HN 0.837 nan 8.150 nan 0.000 0.444 455 W N 0.512 121.763 121.300 -0.081 0.000 2.379 455 W HA -0.082 4.671 4.660 0.155 0.000 0.307 455 W C 2.469 178.942 176.519 -0.076 0.000 1.200 455 W CA 2.193 59.492 57.345 -0.077 0.000 1.297 455 W CB -0.112 29.280 29.460 -0.113 0.000 1.140 455 W HN 0.341 nan 8.180 nan 0.000 0.507 456 A N -0.689 122.211 122.820 0.135 0.000 1.902 456 A HA -0.249 4.165 4.320 0.156 0.000 0.217 456 A C 1.798 179.371 177.584 -0.018 0.000 1.181 456 A CA 1.904 53.939 52.037 -0.004 0.000 0.623 456 A CB -1.317 17.676 19.000 -0.011 0.000 0.818 456 A HN 0.449 nan 8.150 nan 0.000 0.443 457 H N -0.186 118.894 119.070 0.015 0.000 2.387 457 H HA -0.038 4.611 4.556 0.156 0.000 0.299 457 H C 2.463 177.752 175.328 -0.065 0.000 1.099 457 H CA 1.328 57.386 56.048 0.017 0.000 1.315 457 H CB -0.588 29.197 29.762 0.037 0.000 1.380 457 H HN 0.512 nan 8.280 nan 0.000 0.513 458 A N 0.466 123.258 122.820 -0.047 0.000 1.929 458 A HA -0.098 4.315 4.320 0.156 0.000 0.216 458 A C 2.484 179.910 177.584 -0.263 0.000 1.176 458 A CA 1.460 53.400 52.037 -0.161 0.000 0.628 458 A CB -0.125 18.734 19.000 -0.234 0.000 0.816 458 A HN 0.233 nan 8.150 nan 0.000 0.444 459 R N 0.094 120.303 120.500 -0.486 0.000 2.062 459 R HA -0.003 4.430 4.340 0.156 0.000 0.226 459 R C -0.573 175.703 176.300 -0.040 0.000 1.125 459 R CA 1.582 57.393 56.100 -0.482 0.000 0.966 459 R CB -0.040 29.586 30.300 -1.124 0.000 0.861 459 R HN 0.343 nan 8.270 nan 0.000 0.433 460 D N -0.717 119.719 120.400 0.061 0.000 2.389 460 D HA 0.110 4.844 4.640 0.156 0.000 0.256 460 D C -0.316 176.175 176.300 0.319 0.000 1.239 460 D CA -0.064 54.153 54.000 0.361 0.000 0.925 460 D CB 1.359 42.429 40.800 0.450 0.000 1.145 460 D HN 0.179 nan 8.370 nan 0.000 0.542 461 S N 1.078 116.919 115.700 0.235 0.000 2.603 461 S HA -0.091 4.472 4.470 0.156 0.000 0.220 461 S C 1.647 176.347 174.600 0.166 0.000 0.967 461 S CA 0.558 58.857 58.200 0.165 0.000 0.920 461 S CB -0.183 63.061 63.200 0.073 0.000 0.773 461 S HN 0.320 nan 8.310 nan 0.000 0.529 462 S N 0.841 116.676 115.700 0.225 0.000 2.527 462 S HA 0.221 4.784 4.470 0.156 0.000 0.222 462 S C 0.587 175.274 174.600 0.145 0.000 0.985 462 S CA -0.512 57.791 58.200 0.172 0.000 0.921 462 S CB -0.144 63.180 63.200 0.207 0.000 0.772 462 S HN 0.511 nan 8.310 nan 0.000 0.529 463 R N 1.377 121.993 120.500 0.194 0.000 2.538 463 R HA 0.517 4.950 4.340 0.156 0.000 0.292 463 R C -3.226 173.208 176.300 0.224 0.000 1.008 463 R CA -2.078 54.092 56.100 0.117 0.000 0.896 463 R CB 1.718 31.949 30.300 -0.116 0.000 1.187 463 R HN 0.162 nan 8.270 nan 0.000 0.440 464 P HA 0.049 nan 4.420 nan 0.000 0.270 464 P C -0.680 176.811 177.300 0.318 0.000 1.223 464 P CA -0.386 62.876 63.100 0.269 0.000 0.785 464 P CB 0.672 32.526 31.700 0.256 0.000 0.923 465 V N 2.922 123.038 119.914 0.338 0.000 2.427 465 V HA 0.240 4.453 4.120 0.156 0.000 0.286 465 V C 0.210 176.459 176.094 0.259 0.000 1.034 465 V CA -0.348 62.122 62.300 0.284 0.000 0.893 465 V CB 0.814 32.714 31.823 0.128 0.000 0.982 465 V HN 0.627 nan 8.190 nan 0.000 0.452 466 H N 4.822 123.977 119.070 0.143 0.000 2.492 466 H HA 0.547 5.197 4.556 0.155 0.000 0.345 466 H C -2.123 173.297 175.328 0.154 0.000 1.136 466 H CA -0.616 55.475 56.048 0.073 0.000 1.202 466 H CB 1.820 31.561 29.762 -0.035 0.000 1.524 466 H HN 0.653 nan 8.280 nan 0.000 0.506 467 Y N 4.738 124.652 120.300 -0.644 0.000 2.262 467 Y HA 0.065 4.708 4.550 0.156 0.000 0.317 467 Y C 0.320 175.904 175.900 -0.527 0.000 1.230 467 Y CA -0.752 57.056 58.100 -0.488 0.000 1.166 467 Y CB 0.810 39.193 38.460 -0.129 0.000 1.254 467 Y HN 0.739 nan 8.280 nan 0.000 0.405 468 E N 3.229 122.785 120.200 -1.073 0.000 2.268 468 E HA -0.053 4.391 4.350 0.156 0.000 0.195 468 E C 1.556 177.583 176.600 -0.956 0.000 0.995 468 E CA 1.276 57.201 56.400 -0.791 0.000 0.836 468 E CB 0.097 29.513 29.700 -0.473 0.000 0.763 468 E HN 1.009 nan 8.360 nan 0.000 0.491 469 G N 0.770 108.526 108.800 -1.741 0.000 2.625 469 G HA2 -0.211 3.842 3.960 0.156 0.000 0.214 469 G HA3 -0.211 3.842 3.960 0.156 0.000 0.214 469 G C 0.684 175.017 174.900 -0.945 0.000 1.132 469 G CA 0.333 44.608 45.100 -1.375 0.000 0.782 469 G HN 0.153 nan 8.290 nan 0.000 0.538 470 D N -0.420 119.564 120.400 -0.694 0.000 2.713 470 D HA 0.146 4.879 4.640 0.156 0.000 0.229 470 D C 0.971 177.124 176.300 -0.244 0.000 1.136 470 D CA -0.746 53.002 54.000 -0.421 0.000 1.010 470 D CB -0.499 39.935 40.800 -0.611 0.000 1.084 470 D HN 0.434 nan 8.370 nan 0.000 0.495 471 Y N 0.131 120.356 120.300 -0.126 0.000 2.274 471 Y HA -0.196 4.448 4.550 0.156 0.000 0.290 471 Y C 2.577 178.444 175.900 -0.054 0.000 1.145 471 Y CA 1.179 59.263 58.100 -0.027 0.000 1.203 471 Y CB 0.150 38.603 38.460 -0.010 0.000 0.984 471 Y HN 0.333 nan 8.280 nan 0.000 0.533 472 T N -3.351 111.241 114.554 0.063 0.000 3.107 472 T HA 0.282 4.725 4.350 0.156 0.000 0.249 472 T C 1.451 176.094 174.700 -0.095 0.000 1.096 472 T CA 0.402 62.490 62.100 -0.019 0.000 1.012 472 T CB -0.026 68.845 68.868 0.004 0.000 0.977 472 T HN 0.471 nan 8.240 nan 0.000 0.527 473 G N 0.827 109.540 108.800 -0.146 0.000 2.225 473 G HA2 -0.120 3.934 3.960 0.156 0.000 0.264 473 G HA3 -0.120 3.934 3.960 0.156 0.000 0.264 473 G C 0.877 175.687 174.900 -0.150 0.000 1.060 473 G CA -0.013 44.989 45.100 -0.164 0.000 0.833 473 G HN 1.035 nan 8.290 nan 0.000 0.498 474 A N -0.689 122.003 122.820 -0.214 0.000 2.067 474 A HA 0.431 4.845 4.320 0.156 0.000 0.217 474 A C 1.436 179.066 177.584 0.076 0.000 1.156 474 A CA 2.087 54.096 52.037 -0.046 0.000 0.683 474 A CB -0.205 18.848 19.000 0.088 0.000 0.808 474 A HN 1.827 nan 8.150 nan 0.000 0.455 475 Y N -2.548 117.786 120.300 0.056 0.000 2.957 475 Y HA 0.322 4.966 4.550 0.156 0.000 0.274 475 Y C 0.180 176.152 175.900 0.119 0.000 1.065 475 Y CA -0.436 57.713 58.100 0.082 0.000 1.273 475 Y CB -0.834 37.651 38.460 0.042 0.000 1.358 475 Y HN 0.074 nan 8.280 nan 0.000 0.585 476 T N -2.611 111.937 114.554 -0.011 0.000 2.940 476 T HA 0.370 4.814 4.350 0.156 0.000 0.288 476 T C -0.025 174.749 174.700 0.123 0.000 1.033 476 T CA -0.469 61.677 62.100 0.078 0.000 1.033 476 T CB 2.372 71.215 68.868 -0.041 0.000 1.079 476 T HN 0.093 nan 8.240 nan 0.000 0.496 477 D N 0.210 120.719 120.400 0.180 0.000 2.355 477 D HA 0.126 4.859 4.640 0.156 0.000 0.206 477 D C 1.008 177.399 176.300 0.151 0.000 1.010 477 D CA 0.595 54.697 54.000 0.171 0.000 0.875 477 D CB 0.546 41.477 40.800 0.218 0.000 0.966 477 D HN 0.577 nan 8.370 nan 0.000 0.512 478 V N -1.365 118.639 119.914 0.150 0.000 2.769 478 V HA 0.443 4.656 4.120 0.156 0.000 0.312 478 V C -0.830 175.353 176.094 0.148 0.000 1.061 478 V CA -1.129 61.256 62.300 0.143 0.000 0.931 478 V CB 2.025 33.914 31.823 0.110 0.000 1.010 478 V HN -0.108 nan 8.190 nan 0.000 0.433 479 Y N 2.845 123.160 120.300 0.026 0.000 2.404 479 Y HA 0.688 5.332 4.550 0.156 0.000 0.344 479 Y C 0.324 176.180 175.900 -0.073 0.000 0.995 479 Y CA -0.357 57.765 58.100 0.037 0.000 1.201 479 Y CB 0.954 39.528 38.460 0.189 0.000 1.151 479 Y HN 0.975 nan 8.280 nan 0.000 0.517 480 S N 7.383 122.920 115.700 -0.271 0.000 2.500 480 S HA 0.788 5.351 4.470 0.156 0.000 0.301 480 S C -0.928 173.382 174.600 -0.482 0.000 1.092 480 S CA -0.747 57.164 58.200 -0.482 0.000 1.030 480 S CB 0.653 63.650 63.200 -0.340 0.000 1.031 480 S HN 0.733 nan 8.310 nan 0.000 0.483 481 R N 2.328 122.551 120.500 -0.462 0.000 2.867 481 R HA 0.569 5.003 4.340 0.156 0.000 0.268 481 R C -0.908 175.298 176.300 -0.157 0.000 1.014 481 R CA -0.818 55.167 56.100 -0.193 0.000 0.946 481 R CB 1.744 32.035 30.300 -0.014 0.000 1.208 481 R HN 0.861 nan 8.270 nan 0.000 0.477 482 M N -0.133 119.417 119.600 -0.083 0.000 2.259 482 M HA 0.426 5.000 4.480 0.156 0.000 0.304 482 M C -0.936 175.333 176.300 -0.051 0.000 1.019 482 M CA -0.553 54.596 55.300 -0.251 0.000 0.922 482 M CB 1.820 34.236 32.600 -0.306 0.000 1.600 482 M HN 0.604 nan 8.290 nan 0.000 0.433 483 Y N -0.361 120.050 120.300 0.185 0.000 3.825 483 Y HA -0.246 4.398 4.550 0.156 0.000 0.221 483 Y C 0.347 176.449 175.900 0.336 0.000 1.195 483 Y CA 0.605 58.836 58.100 0.218 0.000 1.699 483 Y CB -2.541 36.018 38.460 0.164 0.000 1.531 483 Y HN 0.923 nan 8.280 nan 0.000 0.640 484 S N 0.131 116.071 115.700 0.401 0.000 2.562 484 S HA 0.421 4.984 4.470 0.156 0.000 0.281 484 S C 0.716 175.588 174.600 0.452 0.000 1.333 484 S CA -0.437 58.003 58.200 0.400 0.000 1.052 484 S CB 1.669 65.041 63.200 0.287 0.000 0.884 484 S HN 0.644 nan 8.310 nan 0.000 0.506 485 S N 3.330 119.276 115.700 0.410 0.000 2.617 485 S HA 0.250 4.813 4.470 0.156 0.000 0.259 485 S C 1.351 175.980 174.600 0.050 0.000 1.301 485 S CA -0.907 57.480 58.200 0.310 0.000 0.984 485 S CB -0.028 63.426 63.200 0.424 0.000 0.954 485 S HN 0.603 nan 8.310 nan 0.000 0.572 486 I N 1.407 121.848 120.570 -0.216 0.000 2.179 486 I HA -0.024 4.239 4.170 0.156 0.000 0.242 486 I C -0.640 175.239 176.117 -0.395 0.000 1.088 486 I CA 0.735 61.743 61.300 -0.486 0.000 1.357 486 I CB -3.020 34.469 38.000 -0.852 0.000 1.051 486 I HN 0.519 nan 8.210 nan 0.000 0.409 487 P HA -0.182 nan 4.420 nan 0.000 0.215 487 P C 1.714 179.021 177.300 0.012 0.000 1.153 487 P CA 1.456 64.339 63.100 -0.361 0.000 0.853 487 P CB 0.025 31.534 31.700 -0.319 0.000 0.788 488 E N -1.145 119.071 120.200 0.026 0.000 2.106 488 E HA -0.120 4.323 4.350 0.156 0.000 0.192 488 E C 1.510 178.100 176.600 -0.017 0.000 0.984 488 E CA 1.379 57.809 56.400 0.050 0.000 0.806 488 E CB -0.293 29.461 29.700 0.091 0.000 0.750 488 E HN 0.131 nan 8.360 nan 0.000 0.458 489 T N 0.444 114.979 114.554 -0.033 0.000 2.821 489 T HA -0.168 4.276 4.350 0.156 0.000 0.267 489 T C 1.378 175.985 174.700 -0.155 0.000 1.046 489 T CA 1.451 63.467 62.100 -0.140 0.000 1.139 489 T CB -0.369 68.508 68.868 0.014 0.000 0.871 489 T HN 0.329 nan 8.240 nan 0.000 0.454 490 D N 1.414 121.797 120.400 -0.028 0.000 2.123 490 D HA -0.144 4.589 4.640 0.156 0.000 0.196 490 D C 2.274 178.490 176.300 -0.141 0.000 0.992 490 D CA 1.654 55.673 54.000 0.032 0.000 0.833 490 D CB -0.146 40.847 40.800 0.321 0.000 0.954 490 D HN 0.415 nan 8.370 nan 0.000 0.455 491 S N -0.515 115.159 115.700 -0.043 0.000 2.402 491 S HA -0.134 4.429 4.470 0.156 0.000 0.229 491 S C 2.157 176.661 174.600 -0.160 0.000 1.021 491 S CA 0.762 58.923 58.200 -0.066 0.000 0.974 491 S CB -0.665 62.546 63.200 0.018 0.000 0.800 491 S HN 0.411 nan 8.310 nan 0.000 0.484 492 I N 1.968 122.417 120.570 -0.203 0.000 2.202 492 I HA -0.016 4.247 4.170 0.156 0.000 0.242 492 I C 2.932 178.874 176.117 -0.291 0.000 1.091 492 I CA 1.247 62.410 61.300 -0.229 0.000 1.368 492 I CB -0.898 36.861 38.000 -0.401 0.000 1.058 492 I HN 0.498 nan 8.210 nan 0.000 0.410 493 G N 1.597 110.128 108.800 -0.448 0.000 2.408 493 G HA2 -0.142 3.911 3.960 0.156 0.000 0.217 493 G HA3 -0.142 3.911 3.960 0.156 0.000 0.217 493 G C 0.951 175.408 174.900 -0.737 0.000 1.150 493 G CA -0.066 44.699 45.100 -0.559 0.000 0.776 493 G HN 0.368 nan 8.290 nan 0.000 0.542 494 R N 0.076 120.070 120.500 -0.844 0.000 2.615 494 R HA 0.288 4.721 4.340 0.156 0.000 0.270 494 R C -0.169 176.007 176.300 -0.207 0.000 1.081 494 R CA -0.415 55.380 56.100 -0.508 0.000 1.154 494 R CB 0.461 30.569 30.300 -0.320 0.000 1.063 494 R HN -0.118 nan 8.270 nan 0.000 0.519 495 N N 0.585 119.238 118.700 -0.079 0.000 2.230 495 N HA -0.029 4.805 4.740 0.156 0.000 0.202 495 N C -0.754 174.727 175.510 -0.050 0.000 1.119 495 N CA 0.300 53.317 53.050 -0.055 0.000 0.851 495 N CB 0.392 38.880 38.487 0.001 0.000 0.990 495 N HN 0.658 nan 8.380 nan 0.000 0.497 496 D N -1.423 118.952 120.400 -0.041 0.000 2.696 496 D HA 0.119 4.852 4.640 0.156 0.000 0.269 496 D C -0.429 175.863 176.300 -0.014 0.000 1.319 496 D CA -0.318 53.677 54.000 -0.009 0.000 0.826 496 D CB -0.096 40.717 40.800 0.022 0.000 1.086 496 D HN -0.240 nan 8.370 nan 0.000 0.481 497 S N -0.616 115.032 115.700 -0.088 0.000 2.532 497 S HA 0.369 4.932 4.470 0.156 0.000 0.299 497 S C -0.637 173.859 174.600 -0.173 0.000 1.105 497 S CA -0.524 57.639 58.200 -0.062 0.000 1.018 497 S CB 0.933 64.101 63.200 -0.054 0.000 1.021 497 S HN 0.213 nan 8.310 nan 0.000 0.483 498 H N 2.197 121.265 119.070 -0.004 0.000 2.542 498 H HA 0.489 5.138 4.556 0.156 0.000 0.283 498 H C 0.954 176.281 175.328 -0.002 0.000 1.059 498 H CA 0.329 56.374 56.048 -0.006 0.000 1.162 498 H CB 0.572 30.331 29.762 -0.004 0.000 1.539 498 H HN 0.722 nan 8.280 nan 0.000 0.543 499 A N 1.256 124.119 122.820 0.072 0.000 2.587 499 A HA 0.017 4.430 4.320 0.156 0.000 0.235 499 A C 0.287 177.894 177.584 0.037 0.000 1.044 499 A CA -0.050 52.020 52.037 0.055 0.000 0.754 499 A CB -0.078 18.952 19.000 0.051 0.000 0.968 499 A HN 0.417 nan 8.150 nan 0.000 0.509 500 L N 2.278 123.523 121.223 0.036 0.000 2.456 500 L HA 0.188 4.622 4.340 0.156 0.000 0.272 500 L C 0.199 177.079 176.870 0.017 0.000 1.189 500 L CA 0.082 54.934 54.840 0.021 0.000 0.846 500 L CB 0.139 42.209 42.059 0.017 0.000 1.111 500 L HN 0.591 nan 8.230 nan 0.000 0.475 501 L N 2.764 123.993 121.223 0.009 0.000 2.332 501 L HA 0.358 4.791 4.340 0.156 0.000 0.269 501 L C -0.052 176.815 176.870 -0.006 0.000 1.016 501 L CA -1.202 53.655 54.840 0.029 0.000 0.809 501 L CB 1.652 43.747 42.059 0.060 0.000 1.280 501 L HN 0.358 nan 8.230 nan 0.000 0.447 502 L N 2.251 123.457 121.223 -0.028 0.000 2.640 502 L HA 0.107 4.540 4.340 0.156 0.000 0.280 502 L C 1.080 177.802 176.870 -0.246 0.000 1.229 502 L CA 1.616 56.352 54.840 -0.174 0.000 0.919 502 L CB -0.087 41.800 42.059 -0.285 0.000 1.168 502 L HN 0.825 nan 8.230 nan 0.000 0.496 503 G N 2.503 111.183 108.800 -0.201 0.000 2.168 503 G HA2 -0.282 3.771 3.960 0.156 0.000 0.263 503 G HA3 -0.282 3.771 3.960 0.156 0.000 0.263 503 G C 0.343 175.251 174.900 0.013 0.000 0.977 503 G CA 0.183 45.231 45.100 -0.087 0.000 0.659 503 G HN 0.847 nan 8.290 nan 0.000 0.533 504 C N 1.228 120.524 119.300 -0.008 0.000 2.493 504 C HA 0.729 5.282 4.460 0.156 0.000 0.326 504 C C 0.546 175.537 174.990 0.002 0.000 1.200 504 C CA -0.474 58.545 59.018 0.001 0.000 1.739 504 C CB 1.648 29.376 27.740 -0.020 0.000 2.300 504 C HN 0.654 nan 8.230 nan 0.000 0.500 505 D N 0.651 121.054 120.400 0.006 0.000 2.478 505 D HA 0.119 4.853 4.640 0.156 0.000 0.269 505 D C 1.130 177.436 176.300 0.010 0.000 1.232 505 D CA 0.042 54.047 54.000 0.009 0.000 1.059 505 D CB 0.408 41.215 40.800 0.012 0.000 1.104 505 D HN 0.528 nan 8.370 nan 0.000 0.566 506 S N -0.630 115.081 115.700 0.018 0.000 2.382 506 S HA -0.096 4.467 4.470 0.156 0.000 0.228 506 S C 2.037 176.659 174.600 0.037 0.000 1.027 506 S CA 1.069 59.291 58.200 0.036 0.000 0.991 506 S CB -0.801 62.422 63.200 0.038 0.000 0.823 506 S HN 0.664 nan 8.310 nan 0.000 0.469 507 A N 1.886 124.718 122.820 0.021 0.000 1.930 507 A HA 0.045 4.459 4.320 0.156 0.000 0.215 507 A C 2.115 179.696 177.584 -0.005 0.000 1.176 507 A CA 1.171 53.218 52.037 0.016 0.000 0.632 507 A CB -0.557 18.450 19.000 0.011 0.000 0.819 507 A HN 0.611 nan 8.150 nan 0.000 0.445 508 E N 0.116 120.307 120.200 -0.016 0.000 2.106 508 E HA -0.097 4.346 4.350 0.156 0.000 0.192 508 E C 2.242 178.789 176.600 -0.088 0.000 0.984 508 E CA 1.259 57.633 56.400 -0.045 0.000 0.806 508 E CB -0.122 29.560 29.700 -0.030 0.000 0.750 508 E HN 0.561 nan 8.360 nan 0.000 0.458 509 S N 0.958 116.618 115.700 -0.066 0.000 2.356 509 S HA -0.188 4.376 4.470 0.156 0.000 0.223 509 S C 2.185 176.721 174.600 -0.105 0.000 1.032 509 S CA 0.998 59.141 58.200 -0.094 0.000 1.005 509 S CB -0.278 62.900 63.200 -0.038 0.000 0.867 509 S HN 0.400 nan 8.310 nan 0.000 0.449 510 A N 1.811 124.603 122.820 -0.047 0.000 1.908 510 A HA -0.166 4.247 4.320 0.156 0.000 0.218 510 A C 2.094 179.637 177.584 -0.067 0.000 1.181 510 A CA 1.861 53.870 52.037 -0.045 0.000 0.627 510 A CB -0.599 18.425 19.000 0.041 0.000 0.818 510 A HN 0.425 nan 8.150 nan 0.000 0.445 511 R N -0.892 119.566 120.500 -0.070 0.000 2.083 511 R HA -0.164 4.269 4.340 0.156 0.000 0.237 511 R C 2.370 178.598 176.300 -0.119 0.000 1.137 511 R CA 1.777 57.833 56.100 -0.073 0.000 0.951 511 R CB -0.222 30.034 30.300 -0.074 0.000 0.851 511 R HN 0.528 nan 8.270 nan 0.000 0.434 512 Q N 0.046 119.709 119.800 -0.229 0.000 2.167 512 Q HA -0.121 4.313 4.340 0.156 0.000 0.202 512 Q C 1.849 177.716 176.000 -0.221 0.000 0.970 512 Q CA 1.229 56.788 55.803 -0.408 0.000 0.855 512 Q CB -0.038 28.118 28.738 -0.971 0.000 0.911 512 Q HN 0.383 nan 8.270 nan 0.000 0.438 513 R N 0.549 120.963 120.500 -0.144 0.000 2.339 513 R HA -0.033 4.400 4.340 0.156 0.000 0.199 513 R C 1.839 178.139 176.300 0.001 0.000 1.018 513 R CA 1.177 57.249 56.100 -0.046 0.000 1.036 513 R CB -0.085 30.162 30.300 -0.090 0.000 0.899 513 R HN 0.287 nan 8.270 nan 0.000 0.473 514 T N -2.578 111.976 114.554 -0.000 0.000 3.107 514 T HA 0.131 4.575 4.350 0.156 0.000 0.249 514 T C 0.555 175.297 174.700 0.070 0.000 1.096 514 T CA 0.012 62.130 62.100 0.030 0.000 1.012 514 T CB 0.262 69.139 68.868 0.015 0.000 0.977 514 T HN -0.013 nan 8.240 nan 0.000 0.527 515 K N 1.717 122.176 120.400 0.099 0.000 2.221 515 K HA 0.544 4.958 4.320 0.156 0.000 0.243 515 K C -3.033 173.691 176.600 0.206 0.000 0.968 515 K CA -2.770 53.599 56.287 0.137 0.000 0.846 515 K CB 1.213 33.797 32.500 0.139 0.000 1.141 515 K HN -0.048 nan 8.250 nan 0.000 0.434 516 P HA -0.020 nan 4.420 nan 0.000 0.269 516 P C -1.117 176.325 177.300 0.236 0.000 1.209 516 P CA 0.021 63.212 63.100 0.151 0.000 0.776 516 P CB 0.296 31.925 31.700 -0.119 0.000 0.876 517 F N 3.936 123.991 119.950 0.176 0.000 2.469 517 F HA 0.676 5.296 4.527 0.155 0.000 0.332 517 F C -0.912 174.934 175.800 0.077 0.000 1.103 517 F CA -0.989 57.088 58.000 0.128 0.000 0.979 517 F CB 0.877 39.967 39.000 0.150 0.000 1.137 517 F HN 0.149 nan 8.300 nan 0.000 0.463 518 I N 5.786 125.757 120.570 -0.998 0.000 2.769 518 I HA 0.462 4.725 4.170 0.156 0.000 0.298 518 I C -1.722 173.714 176.117 -1.135 0.000 1.128 518 I CA -0.692 60.123 61.300 -0.809 0.000 1.031 518 I CB 2.046 39.766 38.000 -0.468 0.000 1.235 518 I HN 0.569 nan 8.210 nan 0.000 0.423 519 L N 7.091 127.913 121.223 -0.669 0.000 2.283 519 L HA 0.222 4.656 4.340 0.156 0.000 0.287 519 L C 1.104 177.854 176.870 -0.201 0.000 1.073 519 L CA -0.456 54.124 54.840 -0.433 0.000 0.822 519 L CB 0.798 42.617 42.059 -0.400 0.000 1.186 519 L HN 0.945 nan 8.230 nan 0.000 0.436 520 C N 0.283 119.464 119.300 -0.199 0.000 2.468 520 C HA 0.140 4.693 4.460 0.156 0.000 0.277 520 C C 0.672 175.652 174.990 -0.018 0.000 1.400 520 C CA -0.294 58.627 59.018 -0.161 0.000 1.770 520 C CB -0.957 26.707 27.740 -0.127 0.000 1.905 520 C HN 0.760 nan 8.230 nan 0.000 0.519 521 E N -0.410 119.735 120.200 -0.092 0.000 2.278 521 E HA 0.613 5.057 4.350 0.156 0.000 0.272 521 E C -1.274 175.138 176.600 -0.313 0.000 0.890 521 E CA -0.366 55.972 56.400 -0.104 0.000 0.770 521 E CB 1.882 31.402 29.700 -0.299 0.000 1.212 521 E HN 0.710 nan 8.360 nan 0.000 0.415 522 Y N -1.431 118.723 120.300 -0.243 0.000 2.705 522 Y HA 0.445 5.089 4.550 0.156 0.000 0.332 522 Y C 0.118 176.077 175.900 0.098 0.000 1.221 522 Y CA -1.405 56.572 58.100 -0.206 0.000 1.059 522 Y CB 0.771 38.986 38.460 -0.408 0.000 1.298 522 Y HN 0.271 nan 8.280 nan 0.000 0.459 523 V N -0.117 119.665 119.914 -0.220 0.000 5.726 523 V HA -0.303 3.910 4.120 0.156 0.000 0.260 523 V C 0.036 176.132 176.094 0.005 0.000 0.657 523 V CA 1.399 63.575 62.300 -0.206 0.000 0.584 523 V CB -2.553 28.959 31.823 -0.519 0.000 0.241 523 V HN 1.244 nan 8.190 nan 0.000 0.652 524 H N 2.375 121.535 119.070 0.150 0.000 3.231 524 H HA 0.214 4.864 4.556 0.155 0.000 0.280 524 H C 1.187 176.527 175.328 0.021 0.000 0.901 524 H CA 0.941 57.095 56.048 0.177 0.000 1.414 524 H CB 1.280 31.057 29.762 0.026 0.000 1.433 524 H HN 1.001 nan 8.280 nan 0.000 0.549 525 A N 6.307 128.978 122.820 -0.248 0.000 2.275 525 A HA 0.031 4.445 4.320 0.156 0.000 0.212 525 A C 1.285 178.706 177.584 -0.271 0.000 1.201 525 A CA -0.364 51.532 52.037 -0.236 0.000 0.843 525 A CB -0.147 18.697 19.000 -0.261 0.000 0.873 525 A HN 0.809 nan 8.150 nan 0.000 0.492 526 M N 0.867 120.275 119.600 -0.321 0.000 2.260 526 M HA 0.345 4.918 4.480 0.156 0.000 0.348 526 M C 1.096 177.204 176.300 -0.319 0.000 1.342 526 M CA 1.470 56.594 55.300 -0.293 0.000 1.040 526 M CB -0.169 32.300 32.600 -0.218 0.000 1.810 526 M HN 0.755 nan 8.290 nan 0.000 0.453 527 G N 4.076 112.642 108.800 -0.391 0.000 2.564 527 G HA2 -0.337 3.717 3.960 0.156 0.000 0.273 527 G HA3 -0.337 3.717 3.960 0.156 0.000 0.273 527 G C -0.328 173.989 174.900 -0.972 0.000 1.242 527 G CA 0.128 44.820 45.100 -0.680 0.000 0.951 527 G HN 0.924 nan 8.290 nan 0.000 0.564 528 N N 2.357 120.414 118.700 -1.072 0.000 2.420 528 N HA 0.563 5.397 4.740 0.156 0.000 0.262 528 N C 0.539 175.788 175.510 -0.435 0.000 1.144 528 N CA 1.797 54.384 53.050 -0.771 0.000 0.952 528 N CB 0.251 38.354 38.487 -0.640 0.000 1.081 528 N HN 2.044 nan 8.380 nan 0.000 0.480 529 G N 3.273 111.908 108.800 -0.275 0.000 2.369 529 G HA2 0.046 4.100 3.960 0.156 0.000 0.295 529 G HA3 0.046 4.100 3.960 0.156 0.000 0.295 529 G C -3.327 171.502 174.900 -0.118 0.000 1.298 529 G CA -0.843 44.148 45.100 -0.183 0.000 0.940 529 G HN 0.474 nan 8.290 nan 0.000 0.536 530 P HA 0.575 nan 4.420 nan 0.000 0.285 530 P C 0.432 177.716 177.300 -0.027 0.000 1.280 530 P CA 0.096 63.160 63.100 -0.060 0.000 0.862 530 P CB 1.764 33.439 31.700 -0.042 0.000 1.153 531 G N -0.969 107.823 108.800 -0.014 0.000 2.547 531 G HA2 0.439 4.493 3.960 0.156 0.000 0.291 531 G HA3 0.439 4.493 3.960 0.156 0.000 0.291 531 G C 0.365 175.311 174.900 0.077 0.000 1.211 531 G CA -0.145 44.961 45.100 0.009 0.000 0.950 531 G HN 0.698 nan 8.290 nan 0.000 0.504 532 A N -1.110 121.754 122.820 0.074 0.000 3.384 532 A HA -0.223 4.191 4.320 0.156 0.000 0.260 532 A C 1.868 179.592 177.584 0.233 0.000 1.168 532 A CA 1.822 53.925 52.037 0.109 0.000 1.253 532 A CB -2.092 16.983 19.000 0.126 0.000 1.122 532 A HN 0.616 nan 8.150 nan 0.000 0.934 533 M N 0.139 119.867 119.600 0.214 0.000 2.149 533 M HA -0.202 4.371 4.480 0.156 0.000 0.261 533 M C 1.941 178.362 176.300 0.202 0.000 1.064 533 M CA 2.302 57.760 55.300 0.264 0.000 1.102 533 M CB -0.630 32.066 32.600 0.160 0.000 1.369 533 M HN 0.781 nan 8.290 nan 0.000 0.408 534 D N -0.230 120.208 120.400 0.063 0.000 2.183 534 D HA -0.176 4.557 4.640 0.156 0.000 0.203 534 D C 1.685 177.990 176.300 0.008 0.000 0.969 534 D CA 1.184 55.154 54.000 -0.051 0.000 0.842 534 D CB -0.695 40.001 40.800 -0.174 0.000 0.957 534 D HN 0.467 nan 8.370 nan 0.000 0.484 535 Q N -0.633 119.164 119.800 -0.005 0.000 2.079 535 Q HA -0.138 4.296 4.340 0.156 0.000 0.200 535 Q C 2.079 178.021 176.000 -0.096 0.000 0.974 535 Q CA 1.126 56.852 55.803 -0.128 0.000 0.840 535 Q CB -0.297 28.231 28.738 -0.350 0.000 0.898 535 Q HN 0.427 nan 8.270 nan 0.000 0.430 536 Y N 0.585 120.926 120.300 0.067 0.000 2.200 536 Y HA -0.215 4.428 4.550 0.155 0.000 0.290 536 Y C 2.416 178.380 175.900 0.107 0.000 1.137 536 Y CA 1.211 59.390 58.100 0.132 0.000 1.163 536 Y CB 0.096 38.744 38.460 0.314 0.000 0.988 536 Y HN 0.103 nan 8.280 nan 0.000 0.518 537 E N 0.311 120.659 120.200 0.248 0.000 2.106 537 E HA -0.164 4.279 4.350 0.156 0.000 0.192 537 E C 2.241 178.886 176.600 0.075 0.000 0.984 537 E CA 1.147 57.630 56.400 0.139 0.000 0.806 537 E CB -0.352 29.379 29.700 0.051 0.000 0.750 537 E HN 0.350 nan 8.360 nan 0.000 0.458 538 A N 0.256 123.099 122.820 0.039 0.000 1.978 538 A HA -0.154 4.259 4.320 0.156 0.000 0.220 538 A C 2.195 179.782 177.584 0.005 0.000 1.170 538 A CA 1.331 53.372 52.037 0.006 0.000 0.636 538 A CB -0.647 18.350 19.000 -0.005 0.000 0.810 538 A HN 0.326 nan 8.150 nan 0.000 0.448 539 L N -0.743 120.516 121.223 0.060 0.000 2.056 539 L HA -0.130 4.303 4.340 0.156 0.000 0.207 539 L C 2.462 179.415 176.870 0.138 0.000 1.078 539 L CA 0.900 55.816 54.840 0.127 0.000 0.749 539 L CB -0.595 41.587 42.059 0.205 0.000 0.901 539 L HN 0.228 nan 8.230 nan 0.000 0.433 540 V N -0.197 119.796 119.914 0.132 0.000 2.407 540 V HA -0.281 3.932 4.120 0.156 0.000 0.248 540 V C 2.081 178.198 176.094 0.038 0.000 1.055 540 V CA 1.798 64.161 62.300 0.106 0.000 1.049 540 V CB -0.569 31.321 31.823 0.110 0.000 0.662 540 V HN 0.427 nan 8.190 nan 0.000 0.455 541 D N -0.121 120.285 120.400 0.011 0.000 2.144 541 D HA -0.177 4.557 4.640 0.156 0.000 0.199 541 D C 2.178 178.428 176.300 -0.083 0.000 0.984 541 D CA 1.418 55.401 54.000 -0.028 0.000 0.834 541 D CB -0.096 40.686 40.800 -0.030 0.000 0.955 541 D HN 0.435 nan 8.370 nan 0.000 0.465 542 K N -1.018 119.280 120.400 -0.171 0.000 2.211 542 K HA -0.017 4.396 4.320 0.156 0.000 0.201 542 K C -0.174 176.179 176.600 -0.413 0.000 1.052 542 K CA 0.350 56.402 56.287 -0.391 0.000 0.973 542 K CB 0.366 32.455 32.500 -0.684 0.000 0.766 542 K HN 0.106 nan 8.250 nan 0.000 0.466 543 Y N 0.240 120.549 120.300 0.016 0.000 2.363 543 Y HA 0.248 4.891 4.550 0.155 0.000 0.325 543 Y C -2.028 173.877 175.900 0.008 0.000 0.984 543 Y CA -2.510 55.601 58.100 0.017 0.000 1.248 543 Y CB 1.927 40.400 38.460 0.022 0.000 1.116 543 Y HN 0.037 nan 8.280 nan 0.000 0.470 544 P HA -0.230 nan 4.420 nan 0.000 0.217 544 P C 1.542 178.870 177.300 0.046 0.000 1.148 544 P CA 1.434 64.564 63.100 0.049 0.000 0.828 544 P CB 0.236 31.977 31.700 0.070 0.000 0.783 545 R N -0.296 120.307 120.500 0.171 0.000 2.189 545 R HA -0.016 4.417 4.340 0.156 0.000 0.223 545 R C 0.378 176.931 176.300 0.422 0.000 1.092 545 R CA 0.513 56.786 56.100 0.288 0.000 0.989 545 R CB -0.582 29.845 30.300 0.212 0.000 0.876 545 R HN 0.163 nan 8.270 nan 0.000 0.457 546 L N 1.569 122.961 121.223 0.282 0.000 2.265 546 L HA 0.197 4.630 4.340 0.156 0.000 0.288 546 L C 0.327 177.332 176.870 0.225 0.000 1.058 546 L CA -0.355 54.723 54.840 0.397 0.000 0.809 546 L CB 1.392 43.640 42.059 0.314 0.000 1.179 546 L HN 0.271 nan 8.230 nan 0.000 0.429 547 H N 2.853 122.065 119.070 0.237 0.000 2.486 547 H HA 0.256 4.905 4.556 0.156 0.000 0.284 547 H C 0.998 176.398 175.328 0.121 0.000 1.103 547 H CA 0.377 56.519 56.048 0.157 0.000 1.089 547 H CB 1.041 30.923 29.762 0.200 0.000 1.603 547 H HN 0.980 nan 8.280 nan 0.000 0.557 548 G N 0.395 109.285 108.800 0.150 0.000 2.484 548 G HA2 -0.007 4.047 3.960 0.156 0.000 0.225 548 G HA3 -0.007 4.047 3.960 0.156 0.000 0.225 548 G C -0.079 174.742 174.900 -0.131 0.000 1.250 548 G CA -0.438 44.678 45.100 0.026 0.000 0.926 548 G HN 0.741 nan 8.290 nan 0.000 0.581 549 G N -2.273 106.404 108.800 -0.206 0.000 2.451 549 G HA2 0.649 4.702 3.960 0.156 0.000 0.292 549 G HA3 0.649 4.702 3.960 0.156 0.000 0.292 549 G C -1.787 173.044 174.900 -0.115 0.000 1.427 549 G CA -0.266 44.661 45.100 -0.288 0.000 0.792 549 G HN 1.116 nan 8.290 nan 0.000 0.498 550 F N 0.780 120.779 119.950 0.081 0.000 2.403 550 F HA 0.491 5.111 4.527 0.155 0.000 0.355 550 F C 0.749 176.720 175.800 0.285 0.000 1.119 550 F CA -0.799 57.299 58.000 0.164 0.000 1.007 550 F CB 1.993 41.000 39.000 0.012 0.000 1.194 550 F HN 0.243 nan 8.300 nan 0.000 0.443 551 V N 3.625 123.719 119.914 0.299 0.000 2.694 551 V HA -0.174 4.040 4.120 0.156 0.000 0.306 551 V C -0.076 176.088 176.094 0.117 0.000 1.054 551 V CA -0.228 62.091 62.300 0.033 0.000 1.161 551 V CB 0.461 32.120 31.823 -0.274 0.000 0.916 551 V HN 0.746 nan 8.190 nan 0.000 0.490 552 W N 6.710 128.023 121.300 0.021 0.000 2.308 552 W HA 0.467 5.220 4.660 0.155 0.000 0.311 552 W C 0.064 176.518 176.519 -0.108 0.000 1.088 552 W CA -0.550 56.831 57.345 0.060 0.000 1.309 552 W CB 1.092 30.729 29.460 0.294 0.000 1.229 552 W HN 0.915 nan 8.180 nan 0.000 0.427 553 E N 3.799 123.657 120.200 -0.570 0.000 2.433 553 E HA 0.171 4.615 4.350 0.156 0.000 0.264 553 E C 0.498 176.843 176.600 -0.425 0.000 0.960 553 E CA -0.784 55.171 56.400 -0.742 0.000 0.866 553 E CB 0.729 29.517 29.700 -1.519 0.000 1.615 553 E HN 0.457 nan 8.360 nan 0.000 0.442 554 W N 1.096 122.064 121.300 -0.554 0.000 2.408 554 W HA 0.086 4.840 4.660 0.156 0.000 0.311 554 W C 0.407 176.650 176.519 -0.460 0.000 1.190 554 W CA 0.892 57.968 57.345 -0.449 0.000 1.321 554 W CB 0.435 29.671 29.460 -0.373 0.000 1.143 554 W HN 0.417 nan 8.180 nan 0.000 0.501 555 R N 1.629 121.753 120.500 -0.627 0.000 2.686 555 R HA 0.138 4.571 4.340 0.156 0.000 0.283 555 R C -1.196 174.577 176.300 -0.880 0.000 0.978 555 R CA -0.760 54.860 56.100 -0.800 0.000 0.897 555 R CB 1.419 31.325 30.300 -0.657 0.000 1.192 555 R HN -0.232 nan 8.270 nan 0.000 0.457 556 D N 1.855 121.839 120.400 -0.694 0.000 2.423 556 D HA 0.025 4.759 4.640 0.156 0.000 0.238 556 D C -0.136 175.775 176.300 -0.649 0.000 1.142 556 D CA 0.632 54.290 54.000 -0.570 0.000 0.884 556 D CB 0.554 41.126 40.800 -0.380 0.000 1.199 556 D HN 0.433 nan 8.370 nan 0.000 0.438 557 H N 0.993 120.007 119.070 -0.094 0.000 2.421 557 H HA 0.311 4.961 4.556 0.156 0.000 0.241 557 H C 0.823 176.300 175.328 0.249 0.000 1.428 557 H CA -0.461 55.627 56.048 0.067 0.000 1.136 557 H CB -0.063 29.816 29.762 0.196 0.000 1.612 557 H HN 0.268 nan 8.280 nan 0.000 0.537 558 G N 1.031 109.891 108.800 0.101 0.000 2.544 558 G HA2 0.269 4.322 3.960 0.156 0.000 0.242 558 G HA3 0.269 4.322 3.960 0.156 0.000 0.242 558 G C 0.071 175.101 174.900 0.216 0.000 1.247 558 G CA -0.365 44.865 45.100 0.217 0.000 0.840 558 G HN 0.282 nan 8.290 nan 0.000 0.578 559 I N 1.288 121.999 120.570 0.235 0.000 2.362 559 I HA 0.308 4.571 4.170 0.156 0.000 0.289 559 I C 0.665 176.830 176.117 0.080 0.000 0.994 559 I CA -0.888 60.445 61.300 0.055 0.000 1.158 559 I CB 1.431 39.364 38.000 -0.111 0.000 1.315 559 I HN 0.511 nan 8.210 nan 0.000 0.451 560 R N 3.745 124.289 120.500 0.072 0.000 2.449 560 R HA 0.356 4.789 4.340 0.156 0.000 0.296 560 R C -0.120 176.048 176.300 -0.221 0.000 1.047 560 R CA 0.524 56.545 56.100 -0.130 0.000 1.018 560 R CB 0.648 30.896 30.300 -0.087 0.000 0.962 560 R HN 0.839 nan 8.270 nan 0.000 0.428 561 T N 2.672 116.955 114.554 -0.451 0.000 2.645 561 T HA 0.501 4.944 4.350 0.156 0.000 0.300 561 T C -1.395 173.034 174.700 -0.452 0.000 1.210 561 T CA -0.721 61.144 62.100 -0.391 0.000 1.034 561 T CB 1.095 69.779 68.868 -0.306 0.000 1.537 561 T HN 0.626 nan 8.240 nan 0.000 0.492 562 R N 0.970 121.327 120.500 -0.238 0.000 2.725 562 R HA 0.567 5.000 4.340 0.156 0.000 0.277 562 R C -0.221 176.127 176.300 0.080 0.000 0.987 562 R CA -0.757 55.301 56.100 -0.069 0.000 0.901 562 R CB 1.965 32.230 30.300 -0.058 0.000 1.207 562 R HN 0.899 nan 8.270 nan 0.000 0.463 563 T N -1.030 113.580 114.554 0.094 0.000 2.701 563 T HA 0.126 4.570 4.350 0.156 0.000 0.303 563 T C 1.439 176.145 174.700 0.010 0.000 1.030 563 T CA -0.033 62.081 62.100 0.024 0.000 1.010 563 T CB 0.815 69.613 68.868 -0.117 0.000 1.007 563 T HN 0.663 nan 8.240 nan 0.000 0.532 564 A N 0.066 122.889 122.820 0.005 0.000 2.070 564 A HA -0.010 4.403 4.320 0.156 0.000 0.220 564 A C 1.896 179.479 177.584 -0.002 0.000 1.159 564 A CA 1.263 53.304 52.037 0.007 0.000 0.656 564 A CB -0.814 18.192 19.000 0.009 0.000 0.800 564 A HN 0.873 nan 8.150 nan 0.000 0.453 565 E N -1.515 118.679 120.200 -0.010 0.000 2.479 565 E HA 0.356 4.800 4.350 0.156 0.000 0.193 565 E C 1.060 177.650 176.600 -0.016 0.000 1.049 565 E CA 0.619 57.013 56.400 -0.011 0.000 0.870 565 E CB 0.104 29.798 29.700 -0.010 0.000 0.944 565 E HN 0.676 nan 8.360 nan 0.000 0.492 566 G N 1.100 109.888 108.800 -0.020 0.000 2.141 566 G HA2 -0.315 3.738 3.960 0.156 0.000 0.231 566 G HA3 -0.315 3.738 3.960 0.156 0.000 0.231 566 G C 0.117 174.994 174.900 -0.038 0.000 0.984 566 G CA 0.161 45.245 45.100 -0.026 0.000 0.660 566 G HN 0.207 nan 8.290 nan 0.000 0.525 567 M N 1.957 121.526 119.600 -0.051 0.000 2.184 567 M HA 0.551 5.124 4.480 0.156 0.000 0.351 567 M C 0.409 176.669 176.300 -0.067 0.000 1.395 567 M CA -0.506 54.751 55.300 -0.073 0.000 1.117 567 M CB 0.432 32.964 32.600 -0.112 0.000 1.708 567 M HN 0.253 nan 8.290 nan 0.000 0.468 568 E N 4.949 125.103 120.200 -0.077 0.000 2.338 568 E HA 0.463 4.906 4.350 0.156 0.000 0.272 568 E C -1.354 175.188 176.600 -0.096 0.000 1.029 568 E CA -0.106 56.217 56.400 -0.129 0.000 0.872 568 E CB 0.529 30.124 29.700 -0.176 0.000 1.015 568 E HN 0.620 nan 8.360 nan 0.000 0.417 569 F N 1.303 121.016 119.950 -0.395 0.000 2.711 569 F HA 0.497 5.118 4.527 0.156 0.000 0.313 569 F C -1.702 173.861 175.800 -0.395 0.000 1.141 569 F CA -1.349 56.424 58.000 -0.378 0.000 0.941 569 F CB 0.825 39.650 39.000 -0.292 0.000 1.349 569 F HN 0.183 nan 8.300 nan 0.000 0.464 570 F N 2.270 122.265 119.950 0.075 0.000 2.390 570 F HA 0.644 5.264 4.527 0.155 0.000 0.361 570 F C 0.755 176.610 175.800 0.092 0.000 1.124 570 F CA -0.626 57.372 58.000 -0.003 0.000 1.149 570 F CB 1.059 40.117 39.000 0.096 0.000 1.160 570 F HN 0.806 nan 8.300 nan 0.000 0.501 571 A N 4.498 127.294 122.820 -0.039 0.000 2.371 571 A HA 0.497 4.911 4.320 0.156 0.000 0.257 571 A C -0.834 176.968 177.584 0.362 0.000 1.089 571 A CA -0.245 51.782 52.037 -0.016 0.000 0.794 571 A CB 0.097 18.790 19.000 -0.511 0.000 1.029 571 A HN 0.759 nan 8.150 nan 0.000 0.488 572 Y N -0.117 120.449 120.300 0.443 0.000 2.805 572 Y HA 0.751 5.394 4.550 0.155 0.000 0.321 572 Y C 0.723 176.850 175.900 0.378 0.000 1.203 572 Y CA -1.604 56.749 58.100 0.422 0.000 1.165 572 Y CB -0.182 38.397 38.460 0.199 0.000 1.371 572 Y HN 0.831 nan 8.280 nan 0.000 0.564 573 G N -0.278 108.813 108.800 0.485 0.000 2.321 573 G HA2 0.367 4.421 3.960 0.156 0.000 0.237 573 G HA3 0.367 4.421 3.960 0.156 0.000 0.237 573 G C 0.945 175.943 174.900 0.163 0.000 1.282 573 G CA 0.373 45.728 45.100 0.425 0.000 0.886 573 G HN 1.948 nan 8.290 nan 0.000 0.528 574 G N 2.083 110.751 108.800 -0.221 0.000 2.241 574 G HA2 -0.283 3.771 3.960 0.156 0.000 0.244 574 G HA3 -0.283 3.771 3.960 0.156 0.000 0.244 574 G C 0.934 175.734 174.900 -0.168 0.000 0.998 574 G CA 0.708 45.381 45.100 -0.711 0.000 0.621 574 G HN 0.634 nan 8.290 nan 0.000 0.519 575 D N -0.150 120.193 120.400 -0.095 0.000 2.348 575 D HA 0.122 4.855 4.640 0.156 0.000 0.216 575 D C 1.342 177.451 176.300 -0.318 0.000 0.970 575 D CA 0.483 54.349 54.000 -0.222 0.000 0.889 575 D CB -0.194 40.404 40.800 -0.337 0.000 0.912 575 D HN 0.525 nan 8.370 nan 0.000 0.524 576 F N -0.475 119.572 119.950 0.162 0.000 2.750 576 F HA 0.289 4.910 4.527 0.156 0.000 0.297 576 F C 1.602 177.484 175.800 0.136 0.000 1.138 576 F CA -0.477 57.610 58.000 0.145 0.000 1.346 576 F CB 0.680 39.784 39.000 0.173 0.000 0.965 576 F HN -0.100 nan 8.300 nan 0.000 0.514 577 G N 0.558 109.489 108.800 0.218 0.000 2.168 577 G HA2 -0.331 3.722 3.960 0.156 0.000 0.257 577 G HA3 -0.331 3.722 3.960 0.156 0.000 0.257 577 G C -0.009 175.017 174.900 0.209 0.000 0.997 577 G CA -0.155 45.055 45.100 0.183 0.000 0.708 577 G HN 0.392 nan 8.290 nan 0.000 0.520 578 E N -0.631 119.717 120.200 0.247 0.000 2.442 578 E HA 0.339 4.782 4.350 0.156 0.000 0.262 578 E C 1.633 178.404 176.600 0.285 0.000 1.004 578 E CA 0.231 56.804 56.400 0.288 0.000 0.928 578 E CB 1.001 30.918 29.700 0.361 0.000 0.937 578 E HN 0.104 nan 8.360 nan 0.000 0.446 579 V N 2.442 122.484 119.914 0.213 0.000 2.283 579 V HA -0.098 4.116 4.120 0.156 0.000 0.243 579 V C 0.793 176.964 176.094 0.128 0.000 1.039 579 V CA 1.402 63.793 62.300 0.152 0.000 1.016 579 V CB -0.341 31.538 31.823 0.092 0.000 0.650 579 V HN 0.602 nan 8.190 nan 0.000 0.449 580 V N -0.001 119.968 119.914 0.092 0.000 2.628 580 V HA 0.871 5.084 4.120 0.156 0.000 0.306 580 V C -0.721 175.425 176.094 0.087 0.000 1.045 580 V CA -0.490 61.810 62.300 -0.001 0.000 0.905 580 V CB 1.376 33.143 31.823 -0.094 0.000 0.997 580 V HN 0.807 nan 8.190 nan 0.000 0.436 581 H N 0.264 119.338 119.070 0.007 0.000 2.967 581 H HA 0.593 5.242 4.556 0.155 0.000 0.318 581 H C -1.310 174.008 175.328 -0.018 0.000 1.375 581 H CA -0.598 55.462 56.048 0.019 0.000 1.132 581 H CB 1.557 31.421 29.762 0.170 0.000 1.848 581 H HN 0.457 nan 8.280 nan 0.000 0.524 582 D N 0.821 121.273 120.400 0.087 0.000 2.670 582 D HA 0.175 4.908 4.640 0.156 0.000 0.255 582 D C 0.172 176.817 176.300 0.574 0.000 1.286 582 D CA 0.622 54.705 54.000 0.138 0.000 0.830 582 D CB 0.717 41.428 40.800 -0.148 0.000 1.065 582 D HN 0.656 nan 8.370 nan 0.000 0.486 583 S N 1.947 118.097 115.700 0.750 0.000 3.762 583 S HA -0.346 4.218 4.470 0.156 0.000 0.627 583 S C 0.896 175.644 174.600 0.246 0.000 2.389 583 S CA 1.886 60.422 58.200 0.560 0.000 3.978 583 S CB -1.236 62.197 63.200 0.388 0.000 0.234 583 S HN 0.658 nan 8.310 nan 0.000 0.960 584 N N 0.575 119.115 118.700 -0.267 0.000 2.434 584 N HA 0.237 5.071 4.740 0.156 0.000 0.196 584 N C 1.131 176.413 175.510 -0.381 0.000 1.183 584 N CA 0.649 53.261 53.050 -0.731 0.000 0.849 584 N CB -0.362 37.328 38.487 -1.330 0.000 0.992 584 N HN 0.422 nan 8.380 nan 0.000 0.460 585 F N -0.111 119.802 119.950 -0.062 0.000 2.494 585 F HA -0.034 4.587 4.527 0.156 0.000 0.298 585 F C 2.002 177.786 175.800 -0.027 0.000 1.106 585 F CA 0.391 58.427 58.000 0.059 0.000 1.452 585 F CB 0.085 39.212 39.000 0.213 0.000 1.085 585 F HN 0.117 nan 8.300 nan 0.000 0.569 586 V N 0.478 120.193 119.914 -0.331 0.000 3.380 586 V HA -0.049 4.165 4.120 0.156 0.000 0.268 586 V C 0.954 176.964 176.094 -0.140 0.000 1.168 586 V CA 0.744 62.736 62.300 -0.513 0.000 1.156 586 V CB -0.317 30.672 31.823 -1.389 0.000 0.785 586 V HN 0.036 nan 8.190 nan 0.000 0.487 587 M N 1.857 121.358 119.600 -0.166 0.000 3.145 587 M HA 0.364 4.937 4.480 0.156 0.000 0.254 587 M C -0.276 175.899 176.300 -0.209 0.000 1.264 587 M CA -0.190 55.008 55.300 -0.170 0.000 1.293 587 M CB -0.073 32.434 32.600 -0.156 0.000 1.170 587 M HN 0.384 nan 8.290 nan 0.000 0.572 588 D N -0.729 119.553 120.400 -0.197 0.000 2.720 588 D HA 0.326 5.060 4.640 0.156 0.000 0.285 588 D C 0.601 176.690 176.300 -0.351 0.000 1.359 588 D CA -0.216 53.638 54.000 -0.243 0.000 0.818 588 D CB 0.158 40.904 40.800 -0.089 0.000 1.108 588 D HN 0.368 nan 8.370 nan 0.000 0.474 589 G N -0.167 108.401 108.800 -0.387 0.000 2.462 589 G HA2 0.376 4.430 3.960 0.156 0.000 0.319 589 G HA3 0.376 4.430 3.960 0.156 0.000 0.319 589 G C 0.827 175.466 174.900 -0.435 0.000 1.171 589 G CA -0.665 44.150 45.100 -0.475 0.000 0.920 589 G HN -0.037 nan 8.290 nan 0.000 0.499 590 M N -0.209 119.088 119.600 -0.506 0.000 2.394 590 M HA 0.072 4.646 4.480 0.156 0.000 0.264 590 M C 0.348 176.267 176.300 -0.637 0.000 1.073 590 M CA 0.786 55.782 55.300 -0.507 0.000 1.111 590 M CB -0.188 32.106 32.600 -0.510 0.000 1.401 590 M HN 0.094 nan 8.290 nan 0.000 0.448 591 V N 1.133 120.567 119.914 -0.800 0.000 2.604 591 V HA 0.396 4.609 4.120 0.156 0.000 0.305 591 V C 0.223 175.966 176.094 -0.585 0.000 1.043 591 V CA -0.937 60.892 62.300 -0.786 0.000 0.888 591 V CB 2.578 33.695 31.823 -1.176 0.000 0.995 591 V HN 0.130 nan 8.190 nan 0.000 0.429 592 L N 2.363 123.325 121.223 -0.435 0.000 2.475 592 L HA 0.251 4.684 4.340 0.156 0.000 0.253 592 L C 1.697 178.294 176.870 -0.455 0.000 1.198 592 L CA -0.090 54.526 54.840 -0.373 0.000 0.814 592 L CB 0.687 42.589 42.059 -0.262 0.000 1.134 592 L HN 0.734 nan 8.230 nan 0.000 0.478 593 S N -0.006 115.351 115.700 -0.572 0.000 2.442 593 S HA -0.142 4.421 4.470 0.156 0.000 0.236 593 S C 0.983 175.187 174.600 -0.661 0.000 1.007 593 S CA 1.272 59.005 58.200 -0.779 0.000 0.965 593 S CB -0.389 62.027 63.200 -1.307 0.000 0.773 593 S HN 0.833 nan 8.310 nan 0.000 0.504 594 D N 0.249 120.380 120.400 -0.448 0.000 2.325 594 D HA 0.172 4.906 4.640 0.156 0.000 0.225 594 D C 0.229 176.449 176.300 -0.132 0.000 1.096 594 D CA 0.202 54.112 54.000 -0.151 0.000 0.844 594 D CB -0.349 40.487 40.800 0.060 0.000 0.925 594 D HN 0.088 nan 8.370 nan 0.000 0.513 595 S N -1.679 113.890 115.700 -0.218 0.000 3.171 595 S HA -0.150 4.414 4.470 0.156 0.000 0.279 595 S C 0.227 174.723 174.600 -0.174 0.000 1.294 595 S CA 0.777 58.861 58.200 -0.194 0.000 1.077 595 S CB -2.359 60.789 63.200 -0.086 0.000 1.298 595 S HN 0.540 nan 8.310 nan 0.000 0.666 596 T N 3.821 118.270 114.554 -0.174 0.000 2.779 596 T HA 0.400 4.844 4.350 0.156 0.000 0.296 596 T C -2.278 172.284 174.700 -0.229 0.000 0.938 596 T CA -0.799 61.219 62.100 -0.136 0.000 1.119 596 T CB 0.676 69.486 68.868 -0.098 0.000 0.891 596 T HN 0.020 nan 8.240 nan 0.000 0.526 597 P HA 0.167 nan 4.420 nan 0.000 0.271 597 P C 0.379 177.581 177.300 -0.163 0.000 1.220 597 P CA -0.374 62.500 63.100 -0.376 0.000 0.768 597 P CB 0.247 31.620 31.700 -0.544 0.000 0.848 598 T N 1.078 115.505 114.554 -0.211 0.000 2.849 598 T HA 0.282 4.725 4.350 0.156 0.000 0.284 598 T C -1.818 172.941 174.700 0.098 0.000 1.004 598 T CA -1.897 60.164 62.100 -0.065 0.000 1.021 598 T CB 0.169 69.005 68.868 -0.053 0.000 1.013 598 T HN 0.125 nan 8.240 nan 0.000 0.527 599 P HA 0.037 nan 4.420 nan 0.000 0.219 599 P C 1.737 179.152 177.300 0.191 0.000 1.146 599 P CA 1.022 64.242 63.100 0.201 0.000 0.808 599 P CB -0.399 31.380 31.700 0.132 0.000 0.779 600 G N -0.230 108.634 108.800 0.106 0.000 2.422 600 G HA2 -0.221 3.832 3.960 0.156 0.000 0.218 600 G HA3 -0.221 3.832 3.960 0.156 0.000 0.218 600 G C 1.388 176.334 174.900 0.077 0.000 1.140 600 G CA 0.300 45.440 45.100 0.067 0.000 0.775 600 G HN 0.224 nan 8.290 nan 0.000 0.545 601 L N -0.605 120.612 121.223 -0.010 0.000 2.109 601 L HA 0.178 4.612 4.340 0.156 0.000 0.207 601 L C 2.505 179.450 176.870 0.125 0.000 1.086 601 L CA 1.222 56.005 54.840 -0.095 0.000 0.760 601 L CB -0.621 41.120 42.059 -0.530 0.000 0.910 601 L HN 0.308 nan 8.230 nan 0.000 0.437 602 Y N -0.205 120.222 120.300 0.212 0.000 2.224 602 Y HA -0.249 4.395 4.550 0.156 0.000 0.289 602 Y C 2.656 178.689 175.900 0.223 0.000 1.146 602 Y CA 1.625 59.917 58.100 0.319 0.000 1.182 602 Y CB -0.206 38.393 38.460 0.232 0.000 0.983 602 Y HN 0.303 nan 8.280 nan 0.000 0.524 603 E N 0.050 120.443 120.200 0.321 0.000 2.047 603 E HA -0.228 4.215 4.350 0.156 0.000 0.191 603 E C 1.958 178.673 176.600 0.192 0.000 0.987 603 E CA 1.303 57.837 56.400 0.224 0.000 0.799 603 E CB -0.626 29.183 29.700 0.181 0.000 0.752 603 E HN 0.375 nan 8.360 nan 0.000 0.449 604 F N 1.760 121.752 119.950 0.069 0.000 2.065 604 F HA -0.255 4.365 4.527 0.155 0.000 0.298 604 F C 2.213 178.039 175.800 0.044 0.000 1.112 604 F CA 2.435 60.456 58.000 0.036 0.000 1.212 604 F CB -0.408 38.607 39.000 0.025 0.000 0.975 604 F HN -0.007 nan 8.300 nan 0.000 0.476 605 K N -0.069 120.460 120.400 0.215 0.000 2.044 605 K HA -0.338 4.076 4.320 0.156 0.000 0.210 605 K C 2.238 178.796 176.600 -0.070 0.000 1.049 605 K CA 2.010 58.352 56.287 0.093 0.000 0.927 605 K CB -0.451 32.223 32.500 0.290 0.000 0.713 605 K HN 0.434 nan 8.250 nan 0.000 0.443 606 Q N 1.100 120.905 119.800 0.008 0.000 2.046 606 Q HA -0.093 4.340 4.340 0.156 0.000 0.200 606 Q C 1.910 177.840 176.000 -0.117 0.000 0.975 606 Q CA 1.806 57.600 55.803 -0.016 0.000 0.836 606 Q CB -0.209 28.572 28.738 0.072 0.000 0.896 606 Q HN 0.505 nan 8.270 nan 0.000 0.428 607 I N 0.159 120.621 120.570 -0.181 0.000 2.315 607 I HA -0.167 4.096 4.170 0.156 0.000 0.248 607 I C 1.727 177.632 176.117 -0.353 0.000 1.117 607 I CA 1.160 62.300 61.300 -0.266 0.000 1.404 607 I CB -0.073 37.778 38.000 -0.248 0.000 1.071 607 I HN 0.271 nan 8.210 nan 0.000 0.419 608 V N -2.661 116.922 119.914 -0.553 0.000 3.514 608 V HA 0.192 4.405 4.120 0.156 0.000 0.301 608 V C 0.947 176.748 176.094 -0.489 0.000 1.346 608 V CA -0.462 61.355 62.300 -0.805 0.000 1.156 608 V CB -0.530 30.410 31.823 -1.471 0.000 1.029 608 V HN 0.247 nan 8.190 nan 0.000 0.428 609 S N 2.986 118.524 115.700 -0.269 0.000 2.563 609 S HA 0.166 4.729 4.470 0.156 0.000 0.294 609 S C -0.303 174.255 174.600 -0.070 0.000 1.279 609 S CA -0.060 58.061 58.200 -0.132 0.000 1.069 609 S CB 0.915 64.067 63.200 -0.079 0.000 0.828 609 S HN 0.595 nan 8.310 nan 0.000 0.497 610 P HA 0.062 nan 4.420 nan 0.000 0.226 610 P C -0.048 177.262 177.300 0.017 0.000 1.153 610 P CA 0.676 63.791 63.100 0.024 0.000 0.777 610 P CB -0.003 31.717 31.700 0.034 0.000 0.794 611 I N 0.923 121.496 120.570 0.005 0.000 2.359 611 I HA 0.300 4.563 4.170 0.156 0.000 0.284 611 I C 0.502 176.620 176.117 0.002 0.000 1.018 611 I CA -1.228 60.076 61.300 0.008 0.000 1.173 611 I CB 1.063 39.070 38.000 0.012 0.000 1.326 611 I HN -0.159 nan 8.210 nan 0.000 0.462 612 R N 6.768 127.270 120.500 0.003 0.000 2.265 612 R HA 0.607 5.041 4.340 0.156 0.000 0.314 612 R C -1.293 175.013 176.300 0.010 0.000 1.053 612 R CA -0.031 56.069 56.100 0.001 0.000 0.931 612 R CB 0.592 30.892 30.300 -0.000 0.000 1.024 612 R HN 0.575 nan 8.270 nan 0.000 0.457 613 L N 3.449 124.682 121.223 0.016 0.000 2.346 613 L HA 0.739 5.172 4.340 0.156 0.000 0.276 613 L C 0.383 177.272 176.870 0.031 0.000 1.006 613 L CA -0.935 53.920 54.840 0.025 0.000 0.817 613 L CB 2.365 44.444 42.059 0.034 0.000 1.272 613 L HN 0.825 nan 8.230 nan 0.000 0.421 614 G N 2.804 111.621 108.800 0.027 0.000 2.620 614 G HA2 0.770 4.823 3.960 0.156 0.000 0.301 614 G HA3 0.770 4.823 3.960 0.156 0.000 0.301 614 G C -1.519 173.395 174.900 0.023 0.000 1.347 614 G CA -0.466 44.652 45.100 0.030 0.000 0.971 614 G HN 0.364 nan 8.290 nan 0.000 0.488 615 L N 1.212 122.451 121.223 0.026 0.000 2.381 615 L HA 0.784 5.217 4.340 0.156 0.000 0.268 615 L C 0.100 176.971 176.870 0.002 0.000 0.997 615 L CA -0.805 54.042 54.840 0.012 0.000 0.818 615 L CB 2.541 44.614 42.059 0.024 0.000 1.310 615 L HN 0.786 nan 8.230 nan 0.000 0.416 616 S N 2.232 117.922 115.700 -0.015 0.000 2.607 616 S HA 0.710 5.273 4.470 0.156 0.000 0.273 616 S C -1.496 173.082 174.600 -0.037 0.000 1.148 616 S CA -0.793 57.394 58.200 -0.022 0.000 0.833 616 S CB 2.205 65.396 63.200 -0.015 0.000 1.130 616 S HN 0.417 nan 8.310 nan 0.000 0.470 617 L N 2.621 123.820 121.223 -0.040 0.000 2.324 617 L HA 0.605 5.038 4.340 0.156 0.000 0.274 617 L C -2.432 174.415 176.870 -0.039 0.000 1.012 617 L CA -1.687 53.124 54.840 -0.048 0.000 0.859 617 L CB 0.848 42.873 42.059 -0.057 0.000 1.224 617 L HN 0.645 nan 8.230 nan 0.000 0.429 618 P HA 0.175 nan 4.420 nan 0.000 0.268 618 P C -0.549 176.733 177.300 -0.029 0.000 1.204 618 P CA -0.363 62.719 63.100 -0.030 0.000 0.768 618 P CB 0.868 32.551 31.700 -0.029 0.000 0.842 619 A N 2.720 125.525 122.820 -0.024 0.000 2.540 619 A HA 0.358 4.772 4.320 0.156 0.000 0.264 619 A C 1.584 179.154 177.584 -0.023 0.000 1.080 619 A CA 0.736 52.760 52.037 -0.023 0.000 0.776 619 A CB -1.524 17.465 19.000 -0.018 0.000 1.011 619 A HN 0.987 nan 8.150 nan 0.000 0.514 620 G N 1.758 110.543 108.800 -0.025 0.000 2.205 620 G HA2 -0.058 3.995 3.960 0.156 0.000 0.261 620 G HA3 -0.058 3.995 3.960 0.156 0.000 0.261 620 G C 0.962 175.846 174.900 -0.028 0.000 0.980 620 G CA 0.633 45.719 45.100 -0.024 0.000 0.632 620 G HN 1.861 nan 8.290 nan 0.000 0.533 621 G N -0.295 108.486 108.800 -0.033 0.000 2.531 621 G HA2 0.655 4.709 3.960 0.156 0.000 0.281 621 G HA3 0.655 4.709 3.960 0.156 0.000 0.281 621 G C 0.167 175.038 174.900 -0.050 0.000 1.382 621 G CA -0.087 44.989 45.100 -0.039 0.000 1.045 621 G HN 0.676 nan 8.290 nan 0.000 0.533 622 K N -0.377 119.987 120.400 -0.060 0.000 2.211 622 K HA 0.472 4.886 4.320 0.156 0.000 0.237 622 K C -2.866 173.678 176.600 -0.093 0.000 1.002 622 K CA -1.800 54.438 56.287 -0.082 0.000 0.885 622 K CB 1.505 33.948 32.500 -0.096 0.000 1.136 622 K HN 0.078 nan 8.250 nan 0.000 0.448 623 P HA 0.030 nan 4.420 nan 0.000 0.267 623 P C -0.970 176.261 177.300 -0.115 0.000 1.205 623 P CA 0.145 63.176 63.100 -0.116 0.000 0.765 623 P CB 0.391 32.004 31.700 -0.146 0.000 0.828 624 T N 4.312 118.819 114.554 -0.079 0.000 2.779 624 T HA 0.414 4.858 4.350 0.156 0.000 0.280 624 T C -0.361 174.310 174.700 -0.048 0.000 0.987 624 T CA -0.370 61.692 62.100 -0.064 0.000 0.966 624 T CB 0.476 69.317 68.868 -0.045 0.000 0.933 624 T HN 0.144 nan 8.240 nan 0.000 0.442 625 L N 4.030 125.225 121.223 -0.046 0.000 2.265 625 L HA 0.753 5.187 4.340 0.156 0.000 0.289 625 L C -0.095 176.768 176.870 -0.011 0.000 1.033 625 L CA -0.513 54.313 54.840 -0.023 0.000 0.814 625 L CB 0.361 42.408 42.059 -0.021 0.000 1.203 625 L HN 0.724 nan 8.230 nan 0.000 0.423 626 A N 5.464 128.283 122.820 -0.002 0.000 2.289 626 A HA 0.713 5.126 4.320 0.156 0.000 0.298 626 A C -0.895 176.694 177.584 0.008 0.000 1.208 626 A CA -0.464 51.574 52.037 0.001 0.000 0.845 626 A CB 0.667 19.668 19.000 0.003 0.000 1.125 626 A HN 0.551 nan 8.150 nan 0.000 0.517 627 V N 1.608 121.526 119.914 0.007 0.000 2.540 627 V HA 0.735 4.948 4.120 0.156 0.000 0.302 627 V C 0.219 176.318 176.094 0.008 0.000 1.035 627 V CA -0.313 61.993 62.300 0.011 0.000 0.873 627 V CB 1.511 33.342 31.823 0.013 0.000 0.992 627 V HN 1.204 nan 8.190 nan 0.000 0.428 628 A N 3.290 126.115 122.820 0.009 0.000 2.335 628 A HA 0.672 5.086 4.320 0.156 0.000 0.304 628 A C -0.430 177.160 177.584 0.010 0.000 1.118 628 A CA -0.606 51.436 52.037 0.008 0.000 0.757 628 A CB 0.986 19.990 19.000 0.006 0.000 1.188 628 A HN 0.709 nan 8.150 nan 0.000 0.460 629 N N 3.035 121.741 118.700 0.010 0.000 2.415 629 N HA 0.225 5.058 4.740 0.156 0.000 0.246 629 N C 0.075 175.594 175.510 0.015 0.000 1.078 629 N CA -0.305 52.752 53.050 0.012 0.000 0.942 629 N CB 0.340 38.832 38.487 0.009 0.000 1.140 629 N HN 0.613 nan 8.380 nan 0.000 0.501 630 L N 2.345 123.582 121.223 0.023 0.000 2.629 630 L HA 0.245 4.679 4.340 0.156 0.000 0.230 630 L C 1.125 178.023 176.870 0.046 0.000 1.151 630 L CA -0.135 54.725 54.840 0.033 0.000 0.924 630 L CB -0.144 41.941 42.059 0.043 0.000 1.137 630 L HN 0.287 nan 8.230 nan 0.000 0.457 631 R N -0.541 119.984 120.500 0.042 0.000 2.774 631 R HA -0.007 4.426 4.340 0.156 0.000 0.269 631 R C 1.474 177.823 176.300 0.082 0.000 1.068 631 R CA -0.142 55.994 56.100 0.060 0.000 1.180 631 R CB 0.491 30.814 30.300 0.037 0.000 1.077 631 R HN 0.124 nan 8.270 nan 0.000 0.513 632 H N -0.269 118.812 119.070 0.018 0.000 2.384 632 H HA -0.065 4.584 4.556 0.156 0.000 0.300 632 H C 1.233 176.581 175.328 0.033 0.000 1.057 632 H CA 2.123 58.192 56.048 0.036 0.000 1.370 632 H CB 0.691 30.513 29.762 0.099 0.000 1.417 632 H HN 0.647 nan 8.280 nan 0.000 0.527 633 T N -1.222 113.305 114.554 -0.044 0.000 3.177 633 T HA 0.392 4.835 4.350 0.156 0.000 0.262 633 T C 0.466 175.131 174.700 -0.058 0.000 0.959 633 T CA 0.357 62.383 62.100 -0.124 0.000 0.996 633 T CB -0.557 68.241 68.868 -0.116 0.000 1.185 633 T HN 0.362 nan 8.240 nan 0.000 0.486 634 A N 3.155 125.956 122.820 -0.031 0.000 2.440 634 A HA 0.527 4.941 4.320 0.156 0.000 0.251 634 A C 0.251 177.824 177.584 -0.019 0.000 1.089 634 A CA -0.194 51.823 52.037 -0.033 0.000 0.779 634 A CB -0.094 18.883 19.000 -0.039 0.000 1.022 634 A HN 0.765 nan 8.150 nan 0.000 0.492 635 D N 1.274 121.663 120.400 -0.017 0.000 2.414 635 D HA 0.382 5.115 4.640 0.156 0.000 0.251 635 D C 0.565 176.862 176.300 -0.004 0.000 1.252 635 D CA 0.073 54.068 54.000 -0.008 0.000 0.999 635 D CB 0.791 41.588 40.800 -0.006 0.000 1.093 635 D HN 0.415 nan 8.370 nan 0.000 0.515 636 A N -0.446 122.374 122.820 0.000 0.000 2.411 636 A HA 0.181 4.594 4.320 0.156 0.000 0.251 636 A C 1.597 179.182 177.584 0.002 0.000 1.317 636 A CA 0.315 52.355 52.037 0.004 0.000 0.904 636 A CB -1.015 17.990 19.000 0.008 0.000 0.993 636 A HN 0.512 nan 8.150 nan 0.000 0.504 637 S N 0.778 116.476 115.700 -0.003 0.000 2.447 637 S HA -0.150 4.413 4.470 0.156 0.000 0.233 637 S C 1.215 175.810 174.600 -0.009 0.000 1.006 637 S CA 1.043 59.240 58.200 -0.005 0.000 0.957 637 S CB -0.317 62.879 63.200 -0.007 0.000 0.773 637 S HN 0.693 nan 8.310 nan 0.000 0.507 638 D N 1.051 121.444 120.400 -0.011 0.000 2.349 638 D HA 0.075 4.808 4.640 0.156 0.000 0.224 638 D C 0.259 176.552 176.300 -0.011 0.000 1.029 638 D CA -0.008 53.981 54.000 -0.018 0.000 0.879 638 D CB -0.176 40.611 40.800 -0.022 0.000 0.906 638 D HN 0.338 nan 8.370 nan 0.000 0.528 639 V N 0.828 120.742 119.914 -0.002 0.000 2.513 639 V HA 0.405 4.618 4.120 0.156 0.000 0.299 639 V C -0.248 175.849 176.094 0.006 0.000 1.035 639 V CA -1.057 61.245 62.300 0.005 0.000 0.889 639 V CB 2.292 34.122 31.823 0.012 0.000 0.988 639 V HN 0.034 nan 8.190 nan 0.000 0.440 640 V N 6.345 126.263 119.914 0.007 0.000 2.769 640 V HA 0.612 4.826 4.120 0.156 0.000 0.312 640 V C -0.799 175.310 176.094 0.026 0.000 1.061 640 V CA -0.623 61.686 62.300 0.015 0.000 0.931 640 V CB 2.046 33.872 31.823 0.005 0.000 1.010 640 V HN 0.738 nan 8.190 nan 0.000 0.433 641 L N 7.162 128.415 121.223 0.049 0.000 2.262 641 L HA 0.617 5.050 4.340 0.156 0.000 0.288 641 L C 0.195 177.129 176.870 0.106 0.000 1.035 641 L CA -0.412 54.474 54.840 0.075 0.000 0.820 641 L CB 0.998 43.111 42.059 0.090 0.000 1.204 641 L HN 0.538 nan 8.230 nan 0.000 0.424 642 R N 4.272 124.816 120.500 0.073 0.000 2.294 642 R HA 0.416 4.850 4.340 0.156 0.000 0.319 642 R C -0.989 175.377 176.300 0.111 0.000 0.984 642 R CA -0.514 55.605 56.100 0.033 0.000 0.861 642 R CB 1.757 32.036 30.300 -0.035 0.000 1.104 642 R HN 0.620 nan 8.270 nan 0.000 0.451 643 W N 3.409 124.716 121.300 0.012 0.000 2.689 643 W HA 0.609 5.362 4.660 0.155 0.000 0.340 643 W C -0.845 175.688 176.519 0.024 0.000 1.060 643 W CA -1.179 56.178 57.345 0.020 0.000 1.218 643 W CB 0.929 30.402 29.460 0.022 0.000 1.410 643 W HN 0.591 nan 8.180 nan 0.000 0.528 644 R N 0.980 121.632 120.500 0.253 0.000 2.698 644 R HA 0.726 5.160 4.340 0.156 0.000 0.275 644 R C -2.087 174.408 176.300 0.325 0.000 1.001 644 R CA -0.911 55.267 56.100 0.131 0.000 0.896 644 R CB 1.874 32.173 30.300 -0.002 0.000 1.218 644 R HN 0.290 nan 8.270 nan 0.000 0.462 645 V N 1.294 121.397 119.914 0.316 0.000 2.495 645 V HA 0.440 4.654 4.120 0.156 0.000 0.298 645 V C -0.409 175.815 176.094 0.216 0.000 1.031 645 V CA -0.819 61.654 62.300 0.287 0.000 0.871 645 V CB 1.524 33.525 31.823 0.296 0.000 0.988 645 V HN 0.799 nan 8.190 nan 0.000 0.432 646 E N 2.583 122.923 120.200 0.233 0.000 2.222 646 E HA 0.392 4.835 4.350 0.156 0.000 0.267 646 E C -1.010 175.750 176.600 0.266 0.000 0.884 646 E CA -0.698 55.832 56.400 0.217 0.000 0.764 646 E CB 2.157 31.969 29.700 0.187 0.000 1.169 646 E HN 0.793 nan 8.360 nan 0.000 0.413 647 H N 4.269 123.415 119.070 0.126 0.000 2.597 647 H HA 0.077 4.727 4.556 0.156 0.000 0.303 647 H C -0.703 174.659 175.328 0.055 0.000 1.057 647 H CA -0.291 55.815 56.048 0.097 0.000 1.261 647 H CB 0.419 30.213 29.762 0.054 0.000 1.397 647 H HN 0.562 nan 8.280 nan 0.000 0.461 648 D N 4.601 124.785 120.400 -0.361 0.000 2.701 648 D HA -0.193 4.540 4.640 0.156 0.000 0.235 648 D C 1.259 177.434 176.300 -0.209 0.000 1.155 648 D CA 1.631 55.318 54.000 -0.521 0.000 0.649 648 D CB -1.381 39.026 40.800 -0.656 0.000 1.050 648 D HN 1.091 nan 8.370 nan 0.000 0.425 649 G N -1.573 107.308 108.800 0.135 0.000 2.217 649 G HA2 -0.148 3.905 3.960 0.156 0.000 0.246 649 G HA3 -0.148 3.905 3.960 0.156 0.000 0.246 649 G C 0.428 175.373 174.900 0.074 0.000 0.990 649 G CA 0.500 45.709 45.100 0.182 0.000 0.627 649 G HN 1.216 nan 8.290 nan 0.000 0.522 650 A N 0.591 123.456 122.820 0.075 0.000 2.289 650 A HA 0.714 5.127 4.320 0.156 0.000 0.298 650 A C 0.558 178.198 177.584 0.093 0.000 1.208 650 A CA 0.017 52.099 52.037 0.075 0.000 0.845 650 A CB 1.205 20.260 19.000 0.092 0.000 1.125 650 A HN 1.151 nan 8.150 nan 0.000 0.517 651 V N 3.081 123.029 119.914 0.056 0.000 2.450 651 V HA 0.164 4.377 4.120 0.156 0.000 0.281 651 V C 1.439 177.568 176.094 0.057 0.000 1.019 651 V CA 0.965 63.296 62.300 0.052 0.000 1.062 651 V CB 0.194 32.020 31.823 0.006 0.000 0.979 651 V HN 1.074 nan 8.190 nan 0.000 0.477 652 A N 4.363 127.236 122.820 0.088 0.000 1.984 652 A HA 0.685 5.099 4.320 0.156 0.000 0.214 652 A C 1.034 178.657 177.584 0.065 0.000 1.173 652 A CA 0.950 53.034 52.037 0.079 0.000 0.673 652 A CB 0.161 19.225 19.000 0.107 0.000 0.830 652 A HN 1.287 nan 8.150 nan 0.000 0.453 653 A N -1.050 121.813 122.820 0.071 0.000 2.594 653 A HA 0.634 5.048 4.320 0.156 0.000 0.296 653 A C -0.467 177.010 177.584 -0.178 0.000 1.061 653 A CA 0.205 52.267 52.037 0.042 0.000 0.689 653 A CB 0.555 19.703 19.000 0.246 0.000 1.280 653 A HN 1.323 nan 8.150 nan 0.000 0.406 654 S N -0.150 115.230 115.700 -0.532 0.000 2.625 654 S HA 1.001 5.565 4.470 0.156 0.000 0.271 654 S C -0.119 173.667 174.600 -1.357 0.000 1.161 654 S CA -0.094 57.467 58.200 -1.066 0.000 0.820 654 S CB 1.309 64.193 63.200 -0.527 0.000 1.137 654 S HN 2.649 nan 8.310 nan 0.000 0.470 655 G N -0.226 107.607 108.800 -1.611 0.000 2.341 655 G HA2 0.578 4.631 3.960 0.156 0.000 0.299 655 G HA3 0.578 4.631 3.960 0.156 0.000 0.299 655 G C -2.337 172.207 174.900 -0.592 0.000 1.274 655 G CA -0.747 43.808 45.100 -0.909 0.000 0.853 655 G HN 0.780 nan 8.290 nan 0.000 0.493 656 E N -1.247 118.912 120.200 -0.068 0.000 2.343 656 E HA 0.584 5.027 4.350 0.156 0.000 0.278 656 E C -1.460 175.249 176.600 0.182 0.000 0.910 656 E CA -0.702 55.736 56.400 0.065 0.000 0.757 656 E CB 3.165 32.864 29.700 -0.001 0.000 1.218 656 E HN 0.347 nan 8.360 nan 0.000 0.435 657 V N 1.095 121.115 119.914 0.176 0.000 2.876 657 V HA 0.634 4.847 4.120 0.156 0.000 0.312 657 V C -0.351 175.789 176.094 0.077 0.000 1.085 657 V CA -0.830 61.547 62.300 0.129 0.000 0.945 657 V CB 1.916 33.820 31.823 0.134 0.000 1.017 657 V HN 0.835 nan 8.190 nan 0.000 0.428 658 A N 2.197 125.048 122.820 0.053 0.000 2.322 658 A HA 0.767 5.181 4.320 0.156 0.000 0.269 658 A C 0.447 178.050 177.584 0.031 0.000 1.094 658 A CA 0.124 52.182 52.037 0.035 0.000 0.807 658 A CB 0.662 19.676 19.000 0.024 0.000 1.047 658 A HN 1.506 nan 8.150 nan 0.000 0.487 659 A N 2.552 125.387 122.820 0.024 0.000 2.650 659 A HA 0.533 4.946 4.320 0.156 0.000 0.320 659 A C 0.155 177.748 177.584 0.014 0.000 1.466 659 A CA -0.366 51.683 52.037 0.020 0.000 1.099 659 A CB -0.602 18.409 19.000 0.019 0.000 1.136 659 A HN 0.814 nan 8.150 nan 0.000 0.532 660 E N 1.812 122.020 120.200 0.013 0.000 2.312 660 E HA 0.715 5.158 4.350 0.156 0.000 0.267 660 E C 0.281 176.886 176.600 0.008 0.000 0.894 660 E CA -0.822 55.584 56.400 0.010 0.000 0.773 660 E CB 1.609 31.315 29.700 0.010 0.000 1.241 660 E HN 0.314 nan 8.360 nan 0.000 0.432 661 G N 0.532 109.336 108.800 0.006 0.000 3.134 661 G HA2 0.179 4.233 3.960 0.156 0.000 0.158 661 G HA3 0.179 4.233 3.960 0.156 0.000 0.158 661 G C 0.761 175.664 174.900 0.004 0.000 1.334 661 G CA 0.106 45.209 45.100 0.005 0.000 1.001 661 G HN 0.545 nan 8.290 nan 0.000 0.600 662 S N -1.396 114.307 115.700 0.004 0.000 2.446 662 S HA 0.060 4.623 4.470 0.156 0.000 0.225 662 S C 0.543 175.146 174.600 0.005 0.000 1.016 662 S CA 1.240 59.442 58.200 0.004 0.000 0.943 662 S CB 0.244 63.446 63.200 0.004 0.000 0.786 662 S HN 0.315 nan 8.310 nan 0.000 0.508 663 D N 1.061 121.464 120.400 0.005 0.000 2.607 663 D HA 0.510 5.244 4.640 0.156 0.000 0.318 663 D C 0.677 176.980 176.300 0.006 0.000 1.212 663 D CA 0.671 54.674 54.000 0.006 0.000 0.861 663 D CB 0.385 41.190 40.800 0.007 0.000 1.064 663 D HN 0.464 nan 8.370 nan 0.000 0.500 664 G N 2.305 111.109 108.800 0.006 0.000 2.542 664 G HA2 -0.233 3.820 3.960 0.156 0.000 0.235 664 G HA3 -0.233 3.820 3.960 0.156 0.000 0.235 664 G C -2.320 172.583 174.900 0.006 0.000 1.286 664 G CA -0.929 44.175 45.100 0.006 0.000 0.904 664 G HN 0.345 nan 8.290 nan 0.000 0.577 665 P HA 0.201 nan 4.420 nan 0.000 0.263 665 P C 0.719 178.022 177.300 0.005 0.000 1.175 665 P CA -0.142 62.961 63.100 0.005 0.000 0.761 665 P CB 0.285 31.986 31.700 0.002 0.000 0.794 666 L N 4.273 125.499 121.223 0.006 0.000 2.584 666 L HA -0.039 4.395 4.340 0.156 0.000 0.272 666 L C 1.188 178.059 176.870 0.003 0.000 1.195 666 L CA 0.571 55.414 54.840 0.005 0.000 0.920 666 L CB -0.015 42.048 42.059 0.007 0.000 1.173 666 L HN 0.409 nan 8.230 nan 0.000 0.489 667 R N 3.070 123.571 120.500 0.002 0.000 2.560 667 R HA 0.383 4.816 4.340 0.156 0.000 0.270 667 R C 0.145 176.443 176.300 -0.003 0.000 1.074 667 R CA -0.608 55.492 56.100 -0.001 0.000 1.140 667 R CB 0.611 30.912 30.300 0.001 0.000 1.073 667 R HN 0.749 nan 8.270 nan 0.000 0.527 668 A N 1.101 123.915 122.820 -0.010 0.000 2.545 668 A HA 0.340 4.753 4.320 0.156 0.000 0.253 668 A C 1.235 178.813 177.584 -0.011 0.000 1.074 668 A CA 0.873 52.903 52.037 -0.012 0.000 0.760 668 A CB -0.682 18.299 19.000 -0.032 0.000 1.005 668 A HN 0.928 nan 8.150 nan 0.000 0.506 669 G N 1.364 110.163 108.800 -0.002 0.000 2.175 669 G HA2 -0.215 3.839 3.960 0.156 0.000 0.244 669 G HA3 -0.215 3.839 3.960 0.156 0.000 0.244 669 G C 0.142 175.043 174.900 0.002 0.000 0.982 669 G CA 0.475 45.575 45.100 0.000 0.000 0.641 669 G HN 1.026 nan 8.290 nan 0.000 0.527 670 E N 0.550 120.751 120.200 0.002 0.000 2.242 670 E HA 0.673 5.116 4.350 0.156 0.000 0.275 670 E C -0.313 176.289 176.600 0.004 0.000 1.002 670 E CA -0.322 56.080 56.400 0.003 0.000 0.841 670 E CB 1.010 30.712 29.700 0.003 0.000 1.109 670 E HN 0.163 nan 8.360 nan 0.000 0.394 671 S N 0.841 116.543 115.700 0.003 0.000 2.566 671 S HA 0.844 5.408 4.470 0.156 0.000 0.298 671 S C -1.123 173.479 174.600 0.003 0.000 1.083 671 S CA -0.665 57.537 58.200 0.003 0.000 0.978 671 S CB 1.825 65.027 63.200 0.002 0.000 1.073 671 S HN 0.654 nan 8.310 nan 0.000 0.491 672 A N 1.269 124.091 122.820 0.003 0.000 2.569 672 A HA 0.917 5.331 4.320 0.156 0.000 0.290 672 A C -0.572 177.011 177.584 -0.001 0.000 1.136 672 A CA -0.838 51.200 52.037 0.001 0.000 0.710 672 A CB 1.408 20.409 19.000 0.002 0.000 1.303 672 A HN 0.849 nan 8.150 nan 0.000 0.413 673 T N -1.162 113.389 114.554 -0.005 0.000 2.876 673 T HA 0.717 5.160 4.350 0.156 0.000 0.289 673 T C -0.536 174.156 174.700 -0.014 0.000 1.014 673 T CA -0.283 61.811 62.100 -0.010 0.000 0.986 673 T CB 0.935 69.795 68.868 -0.012 0.000 1.021 673 T HN 1.729 nan 8.240 nan 0.000 0.458 674 I N -0.075 120.482 120.570 -0.021 0.000 2.619 674 I HA 0.853 5.117 4.170 0.156 0.000 0.292 674 I C -0.305 175.781 176.117 -0.053 0.000 1.100 674 I CA -1.544 59.738 61.300 -0.029 0.000 1.043 674 I CB 1.753 39.741 38.000 -0.020 0.000 1.239 674 I HN 0.903 nan 8.210 nan 0.000 0.420 675 A N 7.320 130.105 122.820 -0.058 0.000 2.409 675 A HA 0.618 5.031 4.320 0.156 0.000 0.267 675 A C -0.216 177.293 177.584 -0.126 0.000 1.127 675 A CA -0.310 51.677 52.037 -0.084 0.000 0.795 675 A CB 0.149 19.109 19.000 -0.066 0.000 1.061 675 A HN 0.785 nan 8.150 nan 0.000 0.502 676 L N 3.382 124.487 121.223 -0.197 0.000 2.416 676 L HA 0.376 4.809 4.340 0.156 0.000 0.262 676 L C -1.867 174.812 176.870 -0.317 0.000 1.093 676 L CA -2.120 52.513 54.840 -0.344 0.000 0.801 676 L CB 0.873 42.622 42.059 -0.516 0.000 1.191 676 L HN 0.443 nan 8.230 nan 0.000 0.459 677 P HA 0.027 nan 4.420 nan 0.000 0.270 677 P C -0.921 176.251 177.300 -0.213 0.000 1.227 677 P CA -0.361 62.603 63.100 -0.227 0.000 0.788 677 P CB 0.373 31.977 31.700 -0.158 0.000 0.926 678 A N 1.987 124.739 122.820 -0.112 0.000 2.540 678 A HA 0.264 4.677 4.320 0.156 0.000 0.239 678 A C 0.135 177.674 177.584 -0.075 0.000 1.061 678 A CA 0.502 52.488 52.037 -0.084 0.000 0.758 678 A CB -0.752 18.221 19.000 -0.045 0.000 0.991 678 A HN 0.492 nan 8.150 nan 0.000 0.502 679 M N 4.547 124.106 119.600 -0.068 0.000 1.949 679 M HA 0.227 4.801 4.480 0.156 0.000 0.234 679 M C -2.469 173.823 176.300 -0.013 0.000 0.855 679 M CA -1.260 54.022 55.300 -0.029 0.000 0.800 679 M CB 1.487 34.060 32.600 -0.045 0.000 1.697 679 M HN 0.517 nan 8.290 nan 0.000 0.357 680 P HA 0.231 nan 4.420 nan 0.000 0.268 680 P C -0.271 177.031 177.300 0.005 0.000 1.204 680 P CA -0.091 63.005 63.100 -0.006 0.000 0.768 680 P CB 0.718 32.415 31.700 -0.005 0.000 0.842 681 A N 3.342 126.161 122.820 -0.002 0.000 2.520 681 A HA 0.405 4.818 4.320 0.156 0.000 0.245 681 A C 0.860 178.460 177.584 0.026 0.000 1.072 681 A CA -0.020 52.024 52.037 0.011 0.000 0.761 681 A CB -0.427 18.569 19.000 -0.007 0.000 1.004 681 A HN 0.727 nan 8.150 nan 0.000 0.499 682 A N 4.314 127.173 122.820 0.065 0.000 2.540 682 A HA 0.426 4.839 4.320 0.156 0.000 0.239 682 A C -1.118 176.502 177.584 0.060 0.000 1.061 682 A CA -0.585 51.487 52.037 0.058 0.000 0.758 682 A CB -0.325 18.797 19.000 0.205 0.000 0.991 682 A HN 0.658 nan 8.150 nan 0.000 0.502 683 P HA 0.013 nan 4.420 nan 0.000 0.222 683 P C -0.252 177.077 177.300 0.048 0.000 1.147 683 P CA 1.026 64.141 63.100 0.026 0.000 0.790 683 P CB 0.044 31.748 31.700 0.006 0.000 0.780 684 L N -2.268 119.007 121.223 0.087 0.000 2.341 684 L HA 0.648 5.082 4.340 0.156 0.000 0.267 684 L C 0.994 177.958 176.870 0.157 0.000 1.009 684 L CA -0.648 54.254 54.840 0.104 0.000 0.819 684 L CB 1.406 43.518 42.059 0.089 0.000 1.323 684 L HN 0.053 nan 8.230 nan 0.000 0.425 685 G N 1.535 110.374 108.800 0.066 0.000 2.645 685 G HA2 -0.187 3.866 3.960 0.156 0.000 0.239 685 G HA3 -0.187 3.866 3.960 0.156 0.000 0.239 685 G C -0.600 174.311 174.900 0.017 0.000 1.331 685 G CA -0.437 44.653 45.100 -0.017 0.000 0.890 685 G HN 0.648 nan 8.290 nan 0.000 0.572 686 E N -0.283 119.905 120.200 -0.020 0.000 2.214 686 E HA 0.597 5.040 4.350 0.156 0.000 0.274 686 E C -0.632 176.072 176.600 0.174 0.000 0.977 686 E CA -0.423 56.062 56.400 0.142 0.000 0.827 686 E CB 1.634 31.588 29.700 0.424 0.000 1.130 686 E HN 0.435 nan 8.360 nan 0.000 0.394 687 T N 2.045 116.660 114.554 0.102 0.000 2.809 687 T HA 0.363 4.806 4.350 0.156 0.000 0.284 687 T C -1.252 173.429 174.700 -0.032 0.000 0.992 687 T CA -0.682 61.486 62.100 0.114 0.000 0.957 687 T CB 0.351 69.255 68.868 0.060 0.000 0.942 687 T HN 0.312 nan 8.240 nan 0.000 0.439 688 W N 2.896 124.266 121.300 0.116 0.000 2.739 688 W HA 0.654 5.408 4.660 0.155 0.000 0.331 688 W C -0.837 175.742 176.519 0.101 0.000 1.049 688 W CA -0.958 56.447 57.345 0.100 0.000 1.234 688 W CB 1.363 30.883 29.460 0.100 0.000 1.404 688 W HN 0.412 nan 8.180 nan 0.000 0.477 689 L N 3.542 124.929 121.223 0.272 0.000 2.295 689 L HA 0.743 5.176 4.340 0.156 0.000 0.285 689 L C -0.270 176.751 176.870 0.252 0.000 1.035 689 L CA 0.213 55.191 54.840 0.230 0.000 0.806 689 L CB 1.196 43.328 42.059 0.120 0.000 1.214 689 L HN 0.316 nan 8.230 nan 0.000 0.426 690 T N 4.679 119.374 114.554 0.235 0.000 2.812 690 T HA 0.653 5.097 4.350 0.156 0.000 0.282 690 T C -0.862 173.951 174.700 0.189 0.000 0.990 690 T CA -0.408 61.802 62.100 0.184 0.000 0.960 690 T CB 1.526 70.475 68.868 0.134 0.000 0.948 690 T HN 0.376 nan 8.240 nan 0.000 0.438 691 V N 3.549 123.556 119.914 0.155 0.000 2.495 691 V HA 0.504 4.717 4.120 0.156 0.000 0.298 691 V C -0.246 175.906 176.094 0.096 0.000 1.031 691 V CA -0.866 61.527 62.300 0.154 0.000 0.871 691 V CB 1.876 33.783 31.823 0.141 0.000 0.988 691 V HN 0.852 nan 8.190 nan 0.000 0.432 692 E N 2.557 122.803 120.200 0.077 0.000 2.210 692 E HA 0.703 5.146 4.350 0.156 0.000 0.266 692 E C -0.650 175.967 176.600 0.028 0.000 0.883 692 E CA -0.807 55.616 56.400 0.037 0.000 0.761 692 E CB 2.437 32.144 29.700 0.012 0.000 1.156 692 E HN 0.795 nan 8.360 nan 0.000 0.412 693 A N 2.546 125.374 122.820 0.013 0.000 2.309 693 A HA 0.500 4.913 4.320 0.156 0.000 0.290 693 A C 0.028 177.603 177.584 -0.016 0.000 1.206 693 A CA -0.484 51.557 52.037 0.008 0.000 0.850 693 A CB 0.155 19.160 19.000 0.009 0.000 1.118 693 A HN 0.406 nan 8.150 nan 0.000 0.523 694 V N 1.448 121.355 119.914 -0.012 0.000 3.001 694 V HA 0.695 4.909 4.120 0.156 0.000 0.314 694 V C -0.366 175.724 176.094 -0.007 0.000 1.099 694 V CA -1.167 61.118 62.300 -0.025 0.000 0.989 694 V CB 1.563 33.366 31.823 -0.033 0.000 1.040 694 V HN 0.694 nan 8.190 nan 0.000 0.434 695 L N 2.944 124.168 121.223 0.003 0.000 2.360 695 L HA 0.464 4.897 4.340 0.156 0.000 0.276 695 L C 1.770 178.621 176.870 -0.031 0.000 1.121 695 L CA -0.265 54.569 54.840 -0.011 0.000 0.845 695 L CB 0.879 42.922 42.059 -0.027 0.000 1.143 695 L HN 0.792 nan 8.230 nan 0.000 0.452 696 R N 0.966 121.445 120.500 -0.036 0.000 2.073 696 R HA -0.064 4.370 4.340 0.156 0.000 0.234 696 R C -0.181 176.085 176.300 -0.056 0.000 1.134 696 R CA 1.007 57.084 56.100 -0.039 0.000 0.952 696 R CB 0.026 30.306 30.300 -0.033 0.000 0.850 696 R HN 0.662 nan 8.270 nan 0.000 0.433 697 D N -1.110 119.243 120.400 -0.079 0.000 2.419 697 D HA 0.349 5.083 4.640 0.156 0.000 0.234 697 D C -0.819 175.389 176.300 -0.154 0.000 1.014 697 D CA -0.517 53.424 54.000 -0.099 0.000 0.919 697 D CB 1.546 42.290 40.800 -0.092 0.000 1.366 697 D HN 0.089 nan 8.370 nan 0.000 0.490 698 A N 0.579 123.304 122.820 -0.158 0.000 2.466 698 A HA 0.469 4.882 4.320 0.156 0.000 0.238 698 A C 0.672 178.071 177.584 -0.307 0.000 1.074 698 A CA 0.199 52.101 52.037 -0.224 0.000 0.774 698 A CB -0.047 18.853 19.000 -0.166 0.000 1.015 698 A HN 0.583 nan 8.150 nan 0.000 0.498 699 T N -1.635 112.622 114.554 -0.495 0.000 2.807 699 T HA 0.588 5.031 4.350 0.156 0.000 0.277 699 T C 1.232 175.656 174.700 -0.460 0.000 1.006 699 T CA 0.017 61.760 62.100 -0.594 0.000 1.006 699 T CB 1.170 69.300 68.868 -1.230 0.000 1.274 699 T HN 1.051 nan 8.240 nan 0.000 0.569 700 G N -0.605 108.004 108.800 -0.318 0.000 2.509 700 G HA2 -0.028 4.025 3.960 0.156 0.000 0.218 700 G HA3 -0.028 4.025 3.960 0.156 0.000 0.218 700 G C 1.033 175.914 174.900 -0.031 0.000 1.124 700 G CA 0.516 45.555 45.100 -0.101 0.000 0.776 700 G HN 0.881 nan 8.290 nan 0.000 0.547 701 W N -1.550 119.706 121.300 -0.073 0.000 2.871 701 W HA 0.726 5.479 4.660 0.155 0.000 0.340 701 W C 0.046 176.478 176.519 -0.145 0.000 1.058 701 W CA -0.023 57.273 57.345 -0.082 0.000 1.633 701 W CB -0.121 29.293 29.460 -0.078 0.000 1.067 701 W HN 0.280 nan 8.180 nan 0.000 0.554 702 A N 2.257 124.809 122.820 -0.447 0.000 2.594 702 A HA 0.699 5.112 4.320 0.156 0.000 0.295 702 A C -2.802 174.578 177.584 -0.340 0.000 1.071 702 A CA -1.259 50.521 52.037 -0.429 0.000 0.685 702 A CB 1.351 19.885 19.000 -0.776 0.000 1.285 702 A HN -0.190 nan 8.150 nan 0.000 0.405 703 P HA 0.444 nan 4.420 nan 0.000 0.276 703 P C 0.147 177.387 177.300 -0.100 0.000 1.252 703 P CA 0.083 63.117 63.100 -0.111 0.000 0.802 703 P CB 0.860 32.537 31.700 -0.039 0.000 1.035 704 A N 0.697 123.464 122.820 -0.087 0.000 2.561 704 A HA 0.378 4.791 4.320 0.156 0.000 0.234 704 A C 1.486 179.052 177.584 -0.030 0.000 1.055 704 A CA 0.844 52.840 52.037 -0.068 0.000 0.756 704 A CB -1.615 17.349 19.000 -0.060 0.000 0.986 704 A HN 0.921 nan 8.150 nan 0.000 0.505 705 G N 0.424 109.211 108.800 -0.022 0.000 2.162 705 G HA2 -0.272 3.781 3.960 0.156 0.000 0.260 705 G HA3 -0.272 3.781 3.960 0.156 0.000 0.260 705 G C 0.238 175.147 174.900 0.014 0.000 0.976 705 G CA 0.830 45.924 45.100 -0.010 0.000 0.655 705 G HN 1.831 nan 8.290 nan 0.000 0.533 706 H N 2.519 121.549 119.070 -0.066 0.000 3.187 706 H HA 0.380 5.030 4.556 0.156 0.000 0.286 706 H C -1.723 173.590 175.328 -0.026 0.000 0.944 706 H CA -0.168 55.851 56.048 -0.049 0.000 1.429 706 H CB 0.785 30.504 29.762 -0.072 0.000 1.483 706 H HN 0.255 nan 8.280 nan 0.000 0.555 707 P HA -0.003 nan 4.420 nan 0.000 0.275 707 P C 0.195 177.231 177.300 -0.440 0.000 1.227 707 P CA -0.035 62.862 63.100 -0.338 0.000 0.781 707 P CB 1.418 32.990 31.700 -0.215 0.000 0.906 708 L N 0.866 121.976 121.223 -0.188 0.000 2.425 708 L HA 0.424 4.857 4.340 0.156 0.000 0.215 708 L C 1.295 178.122 176.870 -0.073 0.000 1.065 708 L CA 0.625 55.404 54.840 -0.102 0.000 0.842 708 L CB -0.122 41.928 42.059 -0.015 0.000 1.033 708 L HN 0.582 nan 8.230 nan 0.000 0.474 709 G N -0.697 108.071 108.800 -0.053 0.000 2.368 709 G HA2 0.628 4.681 3.960 0.156 0.000 0.293 709 G HA3 0.628 4.681 3.960 0.156 0.000 0.293 709 G C -2.157 172.742 174.900 -0.001 0.000 1.467 709 G CA 0.122 45.209 45.100 -0.021 0.000 0.804 709 G HN 0.105 nan 8.290 nan 0.000 0.535 710 A N -1.325 121.508 122.820 0.021 0.000 2.593 710 A HA 1.014 5.428 4.320 0.156 0.000 0.290 710 A C -1.362 176.256 177.584 0.057 0.000 1.126 710 A CA -0.308 51.752 52.037 0.038 0.000 0.695 710 A CB 1.825 20.847 19.000 0.036 0.000 1.290 710 A HN 2.219 nan 8.150 nan 0.000 0.414 711 V N -0.372 119.585 119.914 0.072 0.000 3.147 711 V HA 0.667 4.881 4.120 0.156 0.000 0.306 711 V C -1.412 174.752 176.094 0.116 0.000 1.209 711 V CA -0.355 61.999 62.300 0.090 0.000 1.023 711 V CB 2.197 34.067 31.823 0.078 0.000 1.059 711 V HN 1.023 nan 8.190 nan 0.000 0.435 712 Q N 2.386 122.275 119.800 0.149 0.000 2.433 712 Q HA 0.697 5.131 4.340 0.156 0.000 0.279 712 Q C -1.955 174.178 176.000 0.222 0.000 1.105 712 Q CA -0.859 55.080 55.803 0.227 0.000 0.815 712 Q CB 2.830 31.753 28.738 0.309 0.000 1.403 712 Q HN 0.636 nan 8.270 nan 0.000 0.435 713 L N 1.393 122.742 121.223 0.211 0.000 2.438 713 L HA 0.385 4.818 4.340 0.156 0.000 0.270 713 L C -1.517 175.249 176.870 -0.175 0.000 0.972 713 L CA -0.451 54.416 54.840 0.046 0.000 0.831 713 L CB 1.902 43.963 42.059 0.002 0.000 1.273 713 L HN 0.470 nan 8.230 nan 0.000 0.405 714 D N 4.385 124.473 120.400 -0.520 0.000 2.325 714 D HA 0.248 4.981 4.640 0.156 0.000 0.251 714 D C 0.247 176.205 176.300 -0.570 0.000 1.196 714 D CA 0.254 53.564 54.000 -1.149 0.000 0.866 714 D CB 0.839 40.883 40.800 -1.261 0.000 1.101 714 D HN 0.654 nan 8.370 nan 0.000 0.476 715 L N 2.317 123.250 121.223 -0.483 0.000 2.769 715 L HA 0.187 4.620 4.340 0.156 0.000 0.240 715 L C 0.643 177.399 176.870 -0.190 0.000 1.163 715 L CA -0.304 54.392 54.840 -0.240 0.000 0.962 715 L CB 0.191 42.170 42.059 -0.134 0.000 1.258 715 L HN 0.169 nan 8.230 nan 0.000 0.513 716 S N 1.344 116.891 115.700 -0.255 0.000 2.560 716 S HA 0.363 4.927 4.470 0.156 0.000 0.284 716 S C 0.752 175.310 174.600 -0.070 0.000 1.327 716 S CA -0.493 57.629 58.200 -0.130 0.000 1.055 716 S CB 1.114 64.244 63.200 -0.116 0.000 0.868 716 S HN 0.335 nan 8.310 nan 0.000 0.506 717 A N 4.132 126.938 122.820 -0.023 0.000 2.466 717 A HA 0.400 4.813 4.320 0.156 0.000 0.238 717 A C -2.080 175.501 177.584 -0.006 0.000 1.074 717 A CA -1.089 50.942 52.037 -0.010 0.000 0.774 717 A CB -0.869 18.136 19.000 0.009 0.000 1.015 717 A HN 0.574 nan 8.150 nan 0.000 0.498 718 P HA 0.211 nan 4.420 nan 0.000 0.264 718 P C -0.146 177.164 177.300 0.016 0.000 1.179 718 P CA 0.665 63.767 63.100 0.003 0.000 0.763 718 P CB 0.347 32.049 31.700 0.003 0.000 0.806 719 A N 3.341 126.175 122.820 0.023 0.000 2.520 719 A HA 0.138 4.551 4.320 0.156 0.000 0.245 719 A C 0.161 177.763 177.584 0.030 0.000 1.072 719 A CA -0.175 51.883 52.037 0.035 0.000 0.761 719 A CB -0.205 18.822 19.000 0.046 0.000 1.004 719 A HN 0.407 nan 8.150 nan 0.000 0.499 720 V N 6.657 126.590 119.914 0.032 0.000 2.387 720 V HA 0.201 4.414 4.120 0.156 0.000 0.260 720 V C -1.616 174.497 176.094 0.031 0.000 1.054 720 V CA -0.939 61.377 62.300 0.028 0.000 0.967 720 V CB 0.453 32.291 31.823 0.025 0.000 1.036 720 V HN 0.873 nan 8.190 nan 0.000 0.481 721 P HA 0.149 nan 4.420 nan 0.000 0.270 721 P C 0.118 177.434 177.300 0.028 0.000 1.242 721 P CA -0.149 62.969 63.100 0.031 0.000 0.768 721 P CB 0.283 31.999 31.700 0.027 0.000 0.820 722 T N 4.402 118.974 114.554 0.031 0.000 2.908 722 T HA 0.042 4.486 4.350 0.156 0.000 0.301 722 T C 0.796 175.509 174.700 0.023 0.000 1.019 722 T CA 0.032 62.147 62.100 0.026 0.000 1.152 722 T CB 0.167 69.053 68.868 0.029 0.000 0.966 722 T HN 0.287 nan 8.240 nan 0.000 0.540 723 R N 2.145 122.656 120.500 0.019 0.000 2.438 723 R HA 0.411 4.845 4.340 0.156 0.000 0.287 723 R C 0.136 176.447 176.300 0.018 0.000 1.077 723 R CA -0.181 55.929 56.100 0.017 0.000 1.034 723 R CB 0.654 30.963 30.300 0.015 0.000 0.993 723 R HN 0.476 nan 8.270 nan 0.000 0.459 724 S N 2.853 118.564 115.700 0.018 0.000 2.578 724 S HA 0.462 5.025 4.470 0.156 0.000 0.301 724 S C -2.240 172.372 174.600 0.019 0.000 1.091 724 S CA -1.383 56.828 58.200 0.019 0.000 1.032 724 S CB 1.592 64.803 63.200 0.019 0.000 1.064 724 S HN 0.464 nan 8.310 nan 0.000 0.508 725 P HA 0.103 nan 4.420 nan 0.000 0.268 725 P C -0.396 176.917 177.300 0.022 0.000 1.205 725 P CA -0.325 62.789 63.100 0.023 0.000 0.771 725 P CB 0.359 32.077 31.700 0.029 0.000 0.858 726 R N 3.722 124.234 120.500 0.020 0.000 2.585 726 R HA 0.093 4.526 4.340 0.156 0.000 0.275 726 R C -1.927 174.386 176.300 0.022 0.000 1.018 726 R CA -1.025 55.087 56.100 0.019 0.000 1.072 726 R CB -0.542 29.769 30.300 0.018 0.000 0.953 726 R HN 0.344 nan 8.270 nan 0.000 0.419 727 P HA 0.003 nan 4.420 nan 0.000 0.264 727 P C -1.410 175.904 177.300 0.022 0.000 1.193 727 P CA 0.291 63.405 63.100 0.023 0.000 0.763 727 P CB 1.093 32.806 31.700 0.022 0.000 0.810 728 A N 2.960 125.795 122.820 0.025 0.000 2.324 728 A HA 0.573 4.987 4.320 0.156 0.000 0.330 728 A C 0.026 177.622 177.584 0.021 0.000 1.165 728 A CA -0.404 51.646 52.037 0.023 0.000 0.813 728 A CB 0.494 19.509 19.000 0.025 0.000 1.197 728 A HN 0.444 nan 8.150 nan 0.000 0.484 729 T N 4.638 119.202 114.554 0.017 0.000 2.851 729 T HA 0.429 4.872 4.350 0.156 0.000 0.298 729 T C -2.246 172.462 174.700 0.014 0.000 0.977 729 T CA -0.442 61.668 62.100 0.015 0.000 1.126 729 T CB 0.407 69.283 68.868 0.013 0.000 0.916 729 T HN 0.559 nan 8.240 nan 0.000 0.529 730 P HA 0.197 nan 4.420 nan 0.000 0.268 730 P C -0.646 176.657 177.300 0.005 0.000 1.205 730 P CA -0.268 62.837 63.100 0.009 0.000 0.771 730 P CB 0.615 32.321 31.700 0.010 0.000 0.858 731 L N 2.274 123.497 121.223 0.000 0.000 2.343 731 L HA 0.330 4.763 4.340 0.156 0.000 0.275 731 L C 0.598 177.466 176.870 -0.005 0.000 1.056 731 L CA -0.933 53.906 54.840 -0.002 0.000 0.804 731 L CB 0.580 42.636 42.059 -0.004 0.000 1.203 731 L HN 0.224 nan 8.230 nan 0.000 0.440 732 D N 1.722 122.120 120.400 -0.003 0.000 2.414 732 D HA 0.511 5.244 4.640 0.156 0.000 0.242 732 D C 0.475 176.770 176.300 -0.007 0.000 1.129 732 D CA 0.708 54.705 54.000 -0.005 0.000 0.885 732 D CB 1.419 42.217 40.800 -0.002 0.000 1.198 732 D HN 0.780 nan 8.370 nan 0.000 0.437 733 G N -0.275 108.519 108.800 -0.010 0.000 2.353 733 G HA2 0.426 4.479 3.960 0.156 0.000 0.424 733 G HA3 0.426 4.479 3.960 0.156 0.000 0.424 733 G C -0.973 173.917 174.900 -0.017 0.000 1.320 733 G CA -0.408 44.685 45.100 -0.012 0.000 0.995 733 G HN 0.589 nan 8.290 nan 0.000 0.580 734 A N -0.429 122.381 122.820 -0.017 0.000 2.462 734 A HA 0.606 5.019 4.320 0.156 0.000 0.243 734 A C 0.835 178.398 177.584 -0.035 0.000 1.076 734 A CA 0.086 52.111 52.037 -0.021 0.000 0.773 734 A CB -0.100 18.891 19.000 -0.015 0.000 1.010 734 A HN 1.207 nan 8.150 nan 0.000 0.493 735 L N 3.854 125.049 121.223 -0.047 0.000 2.397 735 L HA 0.276 4.710 4.340 0.156 0.000 0.271 735 L C -1.529 175.293 176.870 -0.079 0.000 1.148 735 L CA -1.556 53.234 54.840 -0.083 0.000 0.825 735 L CB 0.152 42.151 42.059 -0.100 0.000 1.117 735 L HN 0.570 nan 8.230 nan 0.000 0.456 736 P HA -0.011 nan 4.420 nan 0.000 0.266 736 P C 0.580 177.857 177.300 -0.039 0.000 1.195 736 P CA -0.219 62.837 63.100 -0.074 0.000 0.768 736 P CB 1.379 33.020 31.700 -0.099 0.000 0.838 737 V N 1.195 121.124 119.914 0.025 0.000 2.725 737 V HA -0.033 4.180 4.120 0.156 0.000 0.247 737 V C 1.270 177.456 176.094 0.152 0.000 1.058 737 V CA 1.937 64.283 62.300 0.078 0.000 1.080 737 V CB -0.238 31.611 31.823 0.044 0.000 0.713 737 V HN 0.853 nan 8.190 nan 0.000 0.465 738 S N -0.533 115.241 115.700 0.124 0.000 2.564 738 S HA 0.773 5.336 4.470 0.156 0.000 0.274 738 S C -1.260 173.421 174.600 0.134 0.000 1.124 738 S CA -0.666 57.621 58.200 0.145 0.000 0.869 738 S CB 2.293 65.533 63.200 0.067 0.000 1.105 738 S HN 0.057 nan 8.310 nan 0.000 0.472 739 L N 2.546 123.873 121.223 0.173 0.000 2.504 739 L HA 0.635 5.069 4.340 0.156 0.000 0.265 739 L C 1.021 177.972 176.870 0.134 0.000 0.975 739 L CA -0.103 54.828 54.840 0.153 0.000 0.864 739 L CB 1.048 43.231 42.059 0.207 0.000 1.212 739 L HN 1.277 nan 8.230 nan 0.000 0.416 740 G N 4.140 112.991 108.800 0.085 0.000 2.651 740 G HA2 -0.298 3.756 3.960 0.156 0.000 0.315 740 G HA3 -0.298 3.756 3.960 0.156 0.000 0.315 740 G C -1.302 173.622 174.900 0.039 0.000 1.258 740 G CA 0.447 45.582 45.100 0.057 0.000 1.002 740 G HN 0.542 nan 8.290 nan 0.000 0.551 741 P HA 0.388 nan 4.420 nan 0.000 0.241 741 P C 0.521 177.808 177.300 -0.021 0.000 1.191 741 P CA 1.534 64.631 63.100 -0.005 0.000 0.771 741 P CB -0.070 31.605 31.700 -0.041 0.000 0.929 742 A N -0.069 122.740 122.820 -0.018 0.000 2.301 742 A HA 0.567 4.980 4.320 0.156 0.000 0.312 742 A C -0.038 177.414 177.584 -0.219 0.000 1.182 742 A CA -0.054 51.879 52.037 -0.174 0.000 0.826 742 A CB 0.379 19.240 19.000 -0.232 0.000 1.134 742 A HN -0.004 nan 8.150 nan 0.000 0.501 743 T N 2.225 116.563 114.554 -0.360 0.000 2.829 743 T HA 0.640 5.083 4.350 0.156 0.000 0.280 743 T C -0.988 173.418 174.700 -0.489 0.000 0.999 743 T CA 0.109 62.058 62.100 -0.252 0.000 0.983 743 T CB 0.423 69.226 68.868 -0.109 0.000 0.968 743 T HN 0.363 nan 8.240 nan 0.000 0.446 744 F N 1.463 121.341 119.950 -0.120 0.000 2.546 744 F HA 0.476 5.057 4.527 0.089 0.000 0.320 744 F C 0.361 176.115 175.800 -0.076 0.000 1.076 744 F CA -1.130 56.793 58.000 -0.128 0.000 0.928 744 F CB 1.502 40.391 39.000 -0.186 0.000 1.189 744 F HN 0.382 nan 8.300 nan 0.000 0.465 745 D N 2.061 122.532 120.400 0.119 0.000 2.454 745 D HA 0.415 5.149 4.640 0.156 0.000 0.247 745 D C 0.097 176.435 176.300 0.064 0.000 1.129 745 D CA 0.036 54.075 54.000 0.065 0.000 0.877 745 D CB 1.330 42.149 40.800 0.031 0.000 1.082 745 D HN 0.823 nan 8.370 nan 0.000 0.537 746 A N 2.911 125.759 122.820 0.047 0.000 2.822 746 A HA -0.039 4.374 4.320 0.156 0.000 0.287 746 A C 1.432 179.029 177.584 0.022 0.000 1.479 746 A CA 1.694 53.745 52.037 0.023 0.000 0.779 746 A CB -1.997 17.013 19.000 0.017 0.000 1.022 746 A HN 1.622 nan 8.150 nan 0.000 0.532 747 G N -3.425 105.393 108.800 0.029 0.000 2.195 747 G HA2 -0.024 4.030 3.960 0.156 0.000 0.246 747 G HA3 -0.024 4.030 3.960 0.156 0.000 0.246 747 G C 0.338 175.323 174.900 0.141 0.000 0.984 747 G CA 0.701 45.796 45.100 -0.008 0.000 0.633 747 G HN 1.836 nan 8.290 nan 0.000 0.525 748 T N 1.651 116.310 114.554 0.175 0.000 2.767 748 T HA 0.548 4.991 4.350 0.156 0.000 0.288 748 T C 0.203 174.977 174.700 0.123 0.000 0.963 748 T CA -0.359 61.834 62.100 0.155 0.000 1.019 748 T CB 1.960 70.873 68.868 0.075 0.000 0.923 748 T HN 0.609 nan 8.240 nan 0.000 0.468 749 L N 5.836 127.070 121.223 0.019 0.000 2.513 749 L HA 0.206 4.639 4.340 0.156 0.000 0.272 749 L C 1.021 177.792 176.870 -0.166 0.000 1.187 749 L CA 0.585 55.215 54.840 -0.349 0.000 0.895 749 L CB 0.496 42.410 42.059 -0.242 0.000 1.147 749 L HN 0.588 nan 8.230 nan 0.000 0.483 750 V N 0.687 120.469 119.914 -0.220 0.000 3.539 750 V HA 0.471 4.684 4.120 0.156 0.000 0.262 750 V C 0.373 176.424 176.094 -0.073 0.000 1.381 750 V CA 0.684 62.927 62.300 -0.094 0.000 1.060 750 V CB -0.168 31.620 31.823 -0.058 0.000 0.842 750 V HN 0.862 nan 8.190 nan 0.000 0.445 751 S N -0.021 115.604 115.700 -0.124 0.000 2.537 751 S HA 0.802 5.365 4.470 0.156 0.000 0.270 751 S C -1.420 173.153 174.600 -0.045 0.000 1.142 751 S CA -0.632 57.542 58.200 -0.043 0.000 0.870 751 S CB 2.186 65.371 63.200 -0.026 0.000 1.112 751 S HN 0.308 nan 8.310 nan 0.000 0.466 752 L N 2.156 123.432 121.223 0.087 0.000 2.410 752 L HA 0.762 5.195 4.340 0.156 0.000 0.270 752 L C 0.576 177.566 176.870 0.200 0.000 0.983 752 L CA -0.533 54.353 54.840 0.076 0.000 0.822 752 L CB 1.808 43.881 42.059 0.023 0.000 1.285 752 L HN 1.375 nan 8.230 nan 0.000 0.409 753 A N 2.803 125.671 122.820 0.080 0.000 2.511 753 A HA -0.038 4.375 4.320 0.156 0.000 0.297 753 A C 1.347 179.114 177.584 0.305 0.000 1.476 753 A CA 1.184 53.297 52.037 0.126 0.000 0.757 753 A CB -1.789 17.170 19.000 -0.068 0.000 1.072 753 A HN 1.773 nan 8.150 nan 0.000 0.413 754 G N -2.472 106.432 108.800 0.174 0.000 2.179 754 G HA2 -0.197 3.857 3.960 0.156 0.000 0.260 754 G HA3 -0.197 3.857 3.960 0.156 0.000 0.260 754 G C -0.079 174.863 174.900 0.071 0.000 0.977 754 G CA 0.915 46.082 45.100 0.113 0.000 0.641 754 G HN 1.397 nan 8.290 nan 0.000 0.533 755 Q N 0.205 120.077 119.800 0.120 0.000 2.365 755 Q HA 0.485 4.918 4.340 0.156 0.000 0.269 755 Q C -2.656 173.353 176.000 0.016 0.000 1.061 755 Q CA -2.019 53.761 55.803 -0.038 0.000 0.816 755 Q CB 2.676 31.207 28.738 -0.346 0.000 1.325 755 Q HN 0.242 nan 8.270 nan 0.000 0.446 756 P HA 0.172 nan 4.420 nan 0.000 0.271 756 P C -0.663 176.656 177.300 0.033 0.000 1.220 756 P CA -0.023 63.078 63.100 0.002 0.000 0.768 756 P CB 0.769 32.465 31.700 -0.006 0.000 0.848 757 V N 2.854 122.805 119.914 0.062 0.000 2.851 757 V HA 0.345 4.558 4.120 0.156 0.000 0.307 757 V C -0.154 175.995 176.094 0.093 0.000 1.129 757 V CA -0.438 61.929 62.300 0.113 0.000 0.932 757 V CB 2.437 34.385 31.823 0.209 0.000 1.024 757 V HN 0.488 nan 8.190 nan 0.000 0.426 758 S N 1.760 117.513 115.700 0.089 0.000 2.532 758 S HA 1.003 5.566 4.470 0.156 0.000 0.301 758 S C 0.207 174.891 174.600 0.140 0.000 1.083 758 S CA 0.041 58.288 58.200 0.077 0.000 1.025 758 S CB 1.844 65.044 63.200 0.000 0.000 1.056 758 S HN 1.702 nan 8.310 nan 0.000 0.494 759 G N 1.970 110.822 108.800 0.088 0.000 2.334 759 G HA2 0.139 4.192 3.960 0.156 0.000 0.315 759 G HA3 0.139 4.192 3.960 0.156 0.000 0.315 759 G C -3.575 171.274 174.900 -0.085 0.000 1.284 759 G CA -1.026 44.017 45.100 -0.095 0.000 0.985 759 G HN 0.534 nan 8.290 nan 0.000 0.504 760 P HA 0.463 nan 4.420 nan 0.000 0.278 760 P C -0.706 176.356 177.300 -0.396 0.000 1.238 760 P CA -0.276 62.228 63.100 -0.994 0.000 0.794 760 P CB 1.368 32.336 31.700 -1.221 0.000 0.955 761 R N 2.624 122.904 120.500 -0.367 0.000 2.437 761 R HA 0.403 4.836 4.340 0.156 0.000 0.310 761 R C -0.499 175.637 176.300 -0.273 0.000 0.955 761 R CA -1.092 54.929 56.100 -0.131 0.000 0.851 761 R CB 0.810 31.073 30.300 -0.062 0.000 1.161 761 R HN 0.369 nan 8.270 nan 0.000 0.446 762 L N 3.143 124.064 121.223 -0.504 0.000 2.525 762 L HA 0.132 4.565 4.340 0.156 0.000 0.278 762 L C -0.630 175.938 176.870 -0.503 0.000 1.218 762 L CA 0.941 55.337 54.840 -0.740 0.000 0.878 762 L CB 0.633 41.821 42.059 -1.450 0.000 1.127 762 L HN 0.661 nan 8.230 nan 0.000 0.492 763 E N 3.510 123.517 120.200 -0.322 0.000 2.256 763 E HA 0.390 4.833 4.350 0.156 0.000 0.268 763 E C -0.407 176.028 176.600 -0.274 0.000 0.877 763 E CA -0.309 55.979 56.400 -0.187 0.000 0.757 763 E CB 1.292 31.032 29.700 0.067 0.000 1.183 763 E HN 0.653 nan 8.360 nan 0.000 0.418 764 L N 2.480 123.502 121.223 -0.335 0.000 2.672 764 L HA 0.344 4.777 4.340 0.156 0.000 0.236 764 L C 0.589 177.231 176.870 -0.381 0.000 1.092 764 L CA -0.340 54.191 54.840 -0.514 0.000 0.887 764 L CB 0.295 41.826 42.059 -0.880 0.000 1.168 764 L HN 0.427 nan 8.230 nan 0.000 0.502 765 W N 3.861 124.921 121.300 -0.400 0.000 2.261 765 W HA 0.336 5.086 4.660 0.149 0.000 0.323 765 W C -0.151 176.160 176.519 -0.346 0.000 1.243 765 W CA -0.249 56.875 57.345 -0.369 0.000 1.210 765 W CB 0.936 30.270 29.460 -0.211 0.000 1.149 765 W HN 0.061 nan 8.180 nan 0.000 0.562 766 R N 4.022 123.893 120.500 -1.048 0.000 2.807 766 R HA 0.712 5.145 4.340 0.156 0.000 0.276 766 R C -1.129 174.447 176.300 -1.207 0.000 0.979 766 R CA -0.879 54.680 56.100 -0.902 0.000 0.928 766 R CB 1.354 31.300 30.300 -0.590 0.000 1.191 766 R HN 0.418 nan 8.270 nan 0.000 0.471 767 A N 3.487 125.934 122.820 -0.621 0.000 2.476 767 A HA 0.289 4.702 4.320 0.156 0.000 0.275 767 A C -2.114 175.282 177.584 -0.314 0.000 1.133 767 A CA -1.329 50.497 52.037 -0.351 0.000 0.797 767 A CB -0.428 18.508 19.000 -0.108 0.000 1.081 767 A HN 0.533 nan 8.150 nan 0.000 0.510 768 P HA 0.093 nan 4.420 nan 0.000 0.264 768 P C 0.741 177.970 177.300 -0.119 0.000 1.193 768 P CA 0.325 63.366 63.100 -0.099 0.000 0.763 768 P CB 0.577 32.267 31.700 -0.016 0.000 0.810 769 T N -0.620 113.853 114.554 -0.135 0.000 2.748 769 T HA 0.045 4.489 4.350 0.156 0.000 0.304 769 T C 0.982 175.558 174.700 -0.206 0.000 1.041 769 T CA -0.289 61.682 62.100 -0.215 0.000 1.033 769 T CB 0.354 69.067 68.868 -0.259 0.000 0.995 769 T HN 0.290 nan 8.240 nan 0.000 0.536 770 D N 0.825 121.066 120.400 -0.265 0.000 2.149 770 D HA -0.122 4.611 4.640 0.156 0.000 0.198 770 D C 1.908 178.088 176.300 -0.200 0.000 0.990 770 D CA 1.073 54.914 54.000 -0.264 0.000 0.839 770 D CB -0.215 40.372 40.800 -0.355 0.000 0.948 770 D HN 0.507 nan 8.370 nan 0.000 0.460 771 N N 1.200 119.788 118.700 -0.186 0.000 2.142 771 N HA -0.120 4.713 4.740 0.156 0.000 0.186 771 N C 1.257 176.688 175.510 -0.133 0.000 1.023 771 N CA 0.772 53.738 53.050 -0.140 0.000 0.852 771 N CB -0.312 38.093 38.487 -0.136 0.000 0.998 771 N HN 0.184 nan 8.380 nan 0.000 0.424 772 D N 0.752 121.068 120.400 -0.139 0.000 2.221 772 D HA -0.103 4.630 4.640 0.156 0.000 0.204 772 D C 1.352 177.502 176.300 -0.250 0.000 0.982 772 D CA 0.787 54.670 54.000 -0.196 0.000 0.857 772 D CB -0.032 40.700 40.800 -0.113 0.000 0.934 772 D HN 0.367 nan 8.370 nan 0.000 0.475 773 R N 0.097 120.499 120.500 -0.163 0.000 2.334 773 R HA 0.249 4.682 4.340 0.156 0.000 0.216 773 R C 1.138 177.390 176.300 -0.080 0.000 0.905 773 R CA -0.088 55.940 56.100 -0.120 0.000 1.064 773 R CB 0.618 30.870 30.300 -0.079 0.000 1.046 773 R HN -0.060 nan 8.270 nan 0.000 0.508 774 G N 0.008 108.757 108.800 -0.085 0.000 2.448 774 G HA2 0.428 4.481 3.960 0.156 0.000 0.285 774 G HA3 0.428 4.481 3.960 0.156 0.000 0.285 774 G C 0.128 174.990 174.900 -0.063 0.000 1.176 774 G CA -0.199 44.876 45.100 -0.042 0.000 0.852 774 G HN 0.201 nan 8.290 nan 0.000 0.530 775 A N 0.594 123.386 122.820 -0.047 0.000 2.674 775 A HA 0.535 4.949 4.320 0.156 0.000 0.274 775 A C 1.636 179.193 177.584 -0.045 0.000 1.065 775 A CA 0.954 52.957 52.037 -0.056 0.000 0.978 775 A CB 0.082 19.043 19.000 -0.064 0.000 1.242 775 A HN 0.992 nan 8.150 nan 0.000 0.583 776 G N 0.161 108.944 108.800 -0.028 0.000 2.454 776 G HA2 0.157 4.211 3.960 0.156 0.000 0.214 776 G HA3 0.157 4.211 3.960 0.156 0.000 0.214 776 G C 0.561 175.465 174.900 0.008 0.000 1.217 776 G CA 0.341 45.426 45.100 -0.024 0.000 0.799 776 G HN 0.332 nan 8.290 nan 0.000 0.538 777 F N 1.508 121.379 119.950 -0.132 0.000 2.545 777 F HA 0.403 5.023 4.527 0.156 0.000 0.348 777 F C 1.587 177.293 175.800 -0.157 0.000 1.163 777 F CA -0.017 57.900 58.000 -0.138 0.000 1.331 777 F CB 0.709 39.612 39.000 -0.162 0.000 1.138 777 F HN 0.249 nan 8.300 nan 0.000 0.602 778 G N 0.814 109.588 108.800 -0.043 0.000 2.651 778 G HA2 0.458 4.511 3.960 0.156 0.000 0.260 778 G HA3 0.458 4.511 3.960 0.156 0.000 0.260 778 G C -0.966 173.859 174.900 -0.126 0.000 1.216 778 G CA -0.366 44.688 45.100 -0.077 0.000 0.913 778 G HN 0.875 nan 8.290 nan 0.000 0.535 779 A N -1.105 121.653 122.820 -0.103 0.000 2.316 779 A HA 0.538 4.951 4.320 0.156 0.000 0.284 779 A C 0.247 177.793 177.584 -0.063 0.000 1.115 779 A CA -0.539 51.440 52.037 -0.098 0.000 0.812 779 A CB 0.523 19.499 19.000 -0.040 0.000 1.064 779 A HN 0.765 nan 8.150 nan 0.000 0.489 780 Y N 1.372 121.682 120.300 0.016 0.000 2.523 780 Y HA 0.026 4.669 4.550 0.155 0.000 0.279 780 Y C 2.315 178.176 175.900 -0.065 0.000 1.139 780 Y CA 0.302 58.380 58.100 -0.037 0.000 1.296 780 Y CB 0.259 38.666 38.460 -0.088 0.000 1.045 780 Y HN 0.880 nan 8.280 nan 0.000 0.538 781 G N 1.748 110.611 108.800 0.104 0.000 2.480 781 G HA2 -0.233 3.820 3.960 0.156 0.000 0.216 781 G HA3 -0.233 3.820 3.960 0.156 0.000 0.216 781 G C -0.554 174.357 174.900 0.019 0.000 1.200 781 G CA 0.673 45.796 45.100 0.038 0.000 0.782 781 G HN 0.288 nan 8.290 nan 0.000 0.554 782 P HA 0.226 nan 4.420 nan 0.000 0.236 782 P C 0.502 177.813 177.300 0.018 0.000 1.172 782 P CA 1.224 64.333 63.100 0.014 0.000 0.759 782 P CB 0.178 31.886 31.700 0.013 0.000 0.843 783 G N -1.288 107.528 108.800 0.027 0.000 2.608 783 G HA2 0.226 4.279 3.960 0.156 0.000 0.291 783 G HA3 0.226 4.279 3.960 0.156 0.000 0.291 783 G C -1.871 173.038 174.900 0.015 0.000 1.425 783 G CA -0.475 44.641 45.100 0.026 0.000 0.787 783 G HN -0.201 nan 8.290 nan 0.000 0.484 784 D N 0.883 121.298 120.400 0.024 0.000 2.412 784 D HA 0.134 4.867 4.640 0.156 0.000 0.257 784 D C -0.747 175.573 176.300 0.033 0.000 1.217 784 D CA -1.497 52.521 54.000 0.030 0.000 0.897 784 D CB 1.690 42.536 40.800 0.077 0.000 1.132 784 D HN 0.039 nan 8.370 nan 0.000 0.493 785 P HA -0.086 nan 4.420 nan 0.000 0.226 785 P C 1.035 178.250 177.300 -0.142 0.000 1.153 785 P CA 0.685 63.594 63.100 -0.317 0.000 0.777 785 P CB -0.017 30.974 31.700 -1.182 0.000 0.794 786 W N -0.644 120.655 121.300 -0.001 0.000 2.800 786 W HA 0.065 4.818 4.660 0.155 0.000 0.249 786 W C 0.818 177.390 176.519 0.089 0.000 1.294 786 W CA -0.275 57.127 57.345 0.096 0.000 1.402 786 W CB -0.472 29.040 29.460 0.087 0.000 1.126 786 W HN -0.140 nan 8.180 nan 0.000 0.652 787 L N 0.896 122.263 121.223 0.240 0.000 2.468 787 L HA 0.091 4.524 4.340 0.156 0.000 0.254 787 L C 1.237 178.191 176.870 0.140 0.000 1.171 787 L CA -0.526 54.415 54.840 0.168 0.000 0.809 787 L CB -0.249 41.882 42.059 0.120 0.000 1.155 787 L HN 0.060 nan 8.230 nan 0.000 0.473 788 N N 0.299 119.060 118.700 0.101 0.000 2.721 788 N HA -0.266 4.567 4.740 0.156 0.000 0.249 788 N C 0.101 175.656 175.510 0.074 0.000 1.072 788 N CA 0.989 54.081 53.050 0.070 0.000 0.710 788 N CB -0.887 37.633 38.487 0.054 0.000 0.993 788 N HN 0.662 nan 8.380 nan 0.000 0.547 789 S N -2.440 113.319 115.700 0.097 0.000 3.521 789 S HA -0.145 4.418 4.470 0.156 0.000 0.328 789 S C 1.287 175.969 174.600 0.136 0.000 1.165 789 S CA 1.584 59.843 58.200 0.099 0.000 0.941 789 S CB -1.982 61.251 63.200 0.055 0.000 0.951 789 S HN 1.946 nan 8.310 nan 0.000 0.539 790 G N 0.485 109.391 108.800 0.176 0.000 2.203 790 G HA2 -0.379 3.674 3.960 0.156 0.000 0.263 790 G HA3 -0.379 3.674 3.960 0.156 0.000 0.263 790 G C 0.464 175.626 174.900 0.438 0.000 1.012 790 G CA 0.757 46.041 45.100 0.307 0.000 0.749 790 G HN 0.686 nan 8.290 nan 0.000 0.512 791 R N 0.049 120.665 120.500 0.193 0.000 2.310 791 R HA 0.417 4.850 4.340 0.156 0.000 0.202 791 R C 1.878 178.161 176.300 -0.028 0.000 0.933 791 R CA 0.653 56.728 56.100 -0.042 0.000 1.054 791 R CB 0.016 30.160 30.300 -0.260 0.000 0.985 791 R HN 1.365 nan 8.270 nan 0.000 0.489 792 G N 0.492 109.361 108.800 0.115 0.000 2.645 792 G HA2 -0.288 3.765 3.960 0.156 0.000 0.246 792 G HA3 -0.288 3.765 3.960 0.156 0.000 0.246 792 G C -0.612 174.295 174.900 0.012 0.000 1.322 792 G CA -0.502 44.629 45.100 0.052 0.000 0.898 792 G HN 0.067 nan 8.290 nan 0.000 0.573 793 V N 2.346 122.256 119.914 -0.006 0.000 2.409 793 V HA 0.509 4.722 4.120 0.156 0.000 0.291 793 V C -1.839 174.233 176.094 -0.037 0.000 1.020 793 V CA -1.057 61.236 62.300 -0.013 0.000 0.848 793 V CB 1.904 33.731 31.823 0.006 0.000 0.990 793 V HN 0.674 nan 8.190 nan 0.000 0.430 794 P HA 0.280 nan 4.420 nan 0.000 0.261 794 P C -0.496 176.777 177.300 -0.044 0.000 1.173 794 P CA 0.592 63.660 63.100 -0.053 0.000 0.760 794 P CB 0.472 32.141 31.700 -0.052 0.000 0.783 795 A N 4.066 126.856 122.820 -0.050 0.000 2.605 795 A HA 0.659 5.072 4.320 0.156 0.000 0.294 795 A C -2.826 174.723 177.584 -0.059 0.000 1.062 795 A CA -1.130 50.879 52.037 -0.048 0.000 0.682 795 A CB 0.343 19.314 19.000 -0.048 0.000 1.278 795 A HN 0.308 nan 8.150 nan 0.000 0.410 796 P HA 0.338 nan 4.420 nan 0.000 0.274 796 P C 0.463 177.700 177.300 -0.106 0.000 1.260 796 P CA 0.012 63.070 63.100 -0.070 0.000 0.793 796 P CB 0.326 31.992 31.700 -0.056 0.000 1.048 797 S N -0.673 114.954 115.700 -0.121 0.000 2.576 797 S HA 0.044 4.608 4.470 0.156 0.000 0.272 797 S C 1.357 175.773 174.600 -0.307 0.000 1.352 797 S CA -0.003 58.087 58.200 -0.184 0.000 1.021 797 S CB -0.062 63.042 63.200 -0.159 0.000 0.887 797 S HN 0.365 nan 8.310 nan 0.000 0.542 798 S N 0.779 116.188 115.700 -0.485 0.000 2.359 798 S HA -0.177 4.386 4.470 0.156 0.000 0.224 798 S C 1.803 175.682 174.600 -1.202 0.000 1.035 798 S CA 1.472 59.076 58.200 -0.993 0.000 1.018 798 S CB -0.701 61.722 63.200 -1.294 0.000 0.876 798 S HN 0.900 nan 8.310 nan 0.000 0.448 799 E N 1.172 120.927 120.200 -0.742 0.000 2.097 799 E HA -0.217 4.226 4.350 0.156 0.000 0.196 799 E C 2.148 178.734 176.600 -0.024 0.000 1.000 799 E CA 1.171 57.427 56.400 -0.241 0.000 0.804 799 E CB -0.268 29.399 29.700 -0.055 0.000 0.740 799 E HN 0.483 nan 8.360 nan 0.000 0.454 800 A N 0.936 123.701 122.820 -0.092 0.000 1.883 800 A HA -0.181 4.233 4.320 0.156 0.000 0.217 800 A C 2.469 180.072 177.584 0.031 0.000 1.186 800 A CA 2.120 54.152 52.037 -0.009 0.000 0.624 800 A CB -1.029 17.948 19.000 -0.038 0.000 0.822 800 A HN 0.352 nan 8.150 nan 0.000 0.444 801 V N -4.189 115.700 119.914 -0.042 0.000 2.427 801 V HA -0.172 4.041 4.120 0.156 0.000 0.248 801 V C 2.192 178.448 176.094 0.269 0.000 1.051 801 V CA 1.425 63.762 62.300 0.062 0.000 1.048 801 V CB -1.213 30.618 31.823 0.013 0.000 0.666 801 V HN 0.643 nan 8.190 nan 0.000 0.456 802 W N 0.770 122.180 121.300 0.182 0.000 2.381 802 W HA 0.075 4.833 4.660 0.164 0.000 0.301 802 W C 2.626 179.312 176.519 0.277 0.000 1.205 802 W CA 1.158 58.665 57.345 0.270 0.000 1.285 802 W CB -0.979 28.674 29.460 0.321 0.000 1.133 802 W HN 0.235 nan 8.180 nan 0.000 0.521 803 K N 0.502 121.187 120.400 0.474 0.000 2.057 803 K HA -0.202 4.211 4.320 0.156 0.000 0.207 803 K C 1.916 178.615 176.600 0.166 0.000 1.049 803 K CA 1.412 57.848 56.287 0.249 0.000 0.931 803 K CB -0.827 31.789 32.500 0.194 0.000 0.714 803 K HN 0.324 nan 8.250 nan 0.000 0.440 804 Q N 0.263 120.165 119.800 0.169 0.000 2.135 804 Q HA -0.119 4.315 4.340 0.156 0.000 0.204 804 Q C 1.647 177.739 176.000 0.154 0.000 0.981 804 Q CA 1.635 57.516 55.803 0.130 0.000 0.856 804 Q CB -0.040 28.764 28.738 0.110 0.000 0.902 804 Q HN 0.271 nan 8.270 nan 0.000 0.425 805 A N -0.342 122.617 122.820 0.232 0.000 2.206 805 A HA 0.210 4.623 4.320 0.156 0.000 0.211 805 A C 1.480 179.213 177.584 0.248 0.000 1.158 805 A CA 0.934 53.139 52.037 0.280 0.000 0.761 805 A CB -0.463 18.799 19.000 0.437 0.000 0.801 805 A HN 0.666 nan 8.150 nan 0.000 0.473 806 G N -0.914 107.991 108.800 0.175 0.000 2.147 806 G HA2 -0.258 3.795 3.960 0.156 0.000 0.244 806 G HA3 -0.258 3.795 3.960 0.156 0.000 0.244 806 G C 0.704 175.646 174.900 0.071 0.000 1.005 806 G CA 0.432 45.586 45.100 0.090 0.000 0.713 806 G HN 0.435 nan 8.290 nan 0.000 0.515 807 L N 0.616 121.920 121.223 0.136 0.000 2.275 807 L HA -0.004 4.430 4.340 0.156 0.000 0.215 807 L C 2.602 179.449 176.870 -0.037 0.000 1.119 807 L CA 1.648 56.542 54.840 0.089 0.000 0.790 807 L CB -0.310 41.837 42.059 0.147 0.000 0.919 807 L HN 0.544 nan 8.230 nan 0.000 0.443 808 D N 0.980 121.158 120.400 -0.370 0.000 2.363 808 D HA -0.167 4.566 4.640 0.156 0.000 0.220 808 D C 1.132 177.130 176.300 -0.503 0.000 0.994 808 D CA 0.358 53.758 54.000 -1.001 0.000 0.890 808 D CB 0.039 39.753 40.800 -1.809 0.000 0.906 808 D HN 0.487 nan 8.370 nan 0.000 0.530 809 R N 0.395 120.746 120.500 -0.249 0.000 2.688 809 R HA 0.347 4.780 4.340 0.156 0.000 0.396 809 R C -0.236 176.040 176.300 -0.040 0.000 1.081 809 R CA -0.583 55.434 56.100 -0.137 0.000 1.093 809 R CB -0.519 29.707 30.300 -0.123 0.000 1.338 809 R HN -0.057 nan 8.270 nan 0.000 0.613 810 L N 2.043 123.261 121.223 -0.008 0.000 2.490 810 L HA 0.157 4.590 4.340 0.156 0.000 0.274 810 L C 0.700 177.624 176.870 0.091 0.000 1.201 810 L CA 0.259 55.146 54.840 0.079 0.000 0.869 810 L CB 0.778 42.905 42.059 0.114 0.000 1.123 810 L HN 0.351 nan 8.230 nan 0.000 0.484 811 T N 0.767 115.366 114.554 0.074 0.000 2.895 811 T HA 0.442 4.886 4.350 0.156 0.000 0.283 811 T C -0.283 174.345 174.700 -0.121 0.000 1.014 811 T CA -1.008 61.091 62.100 -0.001 0.000 1.037 811 T CB 1.893 70.748 68.868 -0.023 0.000 1.006 811 T HN 0.604 nan 8.240 nan 0.000 0.468 812 R N 1.620 121.960 120.500 -0.266 0.000 2.294 812 R HA 0.500 4.934 4.340 0.156 0.000 0.319 812 R C -0.420 175.665 176.300 -0.359 0.000 0.984 812 R CA -0.813 54.896 56.100 -0.653 0.000 0.861 812 R CB 0.838 30.809 30.300 -0.548 0.000 1.104 812 R HN 0.802 nan 8.270 nan 0.000 0.451 813 R N 4.030 124.323 120.500 -0.344 0.000 2.480 813 R HA 0.296 4.730 4.340 0.156 0.000 0.306 813 R C -1.305 174.906 176.300 -0.149 0.000 0.958 813 R CA -0.638 55.355 56.100 -0.177 0.000 0.861 813 R CB 1.737 31.971 30.300 -0.111 0.000 1.171 813 R HN 0.384 nan 8.270 nan 0.000 0.445 814 V N 5.209 125.067 119.914 -0.093 0.000 2.455 814 V HA 0.066 4.280 4.120 0.156 0.000 0.273 814 V C 0.840 176.917 176.094 -0.029 0.000 1.045 814 V CA 0.131 62.400 62.300 -0.051 0.000 0.976 814 V CB 1.315 33.121 31.823 -0.028 0.000 0.993 814 V HN 0.947 nan 8.190 nan 0.000 0.475 815 E N 2.770 122.962 120.200 -0.013 0.000 2.086 815 E HA 0.049 4.493 4.350 0.156 0.000 0.190 815 E C -0.224 176.379 176.600 0.005 0.000 0.975 815 E CA 1.077 57.477 56.400 -0.001 0.000 0.813 815 E CB 0.341 30.048 29.700 0.012 0.000 0.768 815 E HN 1.026 nan 8.360 nan 0.000 0.457 816 D N -1.870 118.537 120.400 0.011 0.000 2.683 816 D HA 0.339 5.072 4.640 0.156 0.000 0.246 816 D C -1.300 175.010 176.300 0.017 0.000 1.238 816 D CA -0.733 53.274 54.000 0.012 0.000 0.759 816 D CB 1.443 42.251 40.800 0.013 0.000 1.349 816 D HN -0.175 nan 8.370 nan 0.000 0.426 817 V N -0.437 119.482 119.914 0.009 0.000 2.686 817 V HA 0.939 5.153 4.120 0.156 0.000 0.306 817 V C -0.713 175.376 176.094 -0.009 0.000 1.065 817 V CA -0.431 61.871 62.300 0.003 0.000 0.894 817 V CB 1.242 33.062 31.823 -0.006 0.000 1.004 817 V HN 1.128 nan 8.190 nan 0.000 0.424 818 A N 3.080 125.892 122.820 -0.013 0.000 2.549 818 A HA 0.956 5.370 4.320 0.156 0.000 0.297 818 A C -0.233 177.330 177.584 -0.035 0.000 1.061 818 A CA -0.174 51.852 52.037 -0.019 0.000 0.690 818 A CB 1.668 20.666 19.000 -0.003 0.000 1.287 818 A HN 1.631 nan 8.150 nan 0.000 0.402 819 A N 1.152 123.947 122.820 -0.041 0.000 2.445 819 A HA 0.599 5.013 4.320 0.156 0.000 0.242 819 A C -0.128 177.443 177.584 -0.023 0.000 1.075 819 A CA 0.264 52.273 52.037 -0.047 0.000 0.777 819 A CB -0.197 18.778 19.000 -0.041 0.000 1.013 819 A HN 0.890 nan 8.150 nan 0.000 0.493 820 L N 1.742 122.953 121.223 -0.019 0.000 2.303 820 L HA 0.432 4.865 4.340 0.156 0.000 0.266 820 L C -2.344 174.526 176.870 0.000 0.000 1.011 820 L CA -2.415 52.426 54.840 0.001 0.000 0.818 820 L CB 1.843 43.914 42.059 0.020 0.000 1.326 820 L HN 0.379 nan 8.230 nan 0.000 0.435 821 P HA -0.004 nan 4.420 nan 0.000 0.257 821 P C -0.952 176.357 177.300 0.015 0.000 1.189 821 P CA 0.284 63.390 63.100 0.009 0.000 0.780 821 P CB 0.044 31.751 31.700 0.012 0.000 0.772 822 D N 1.956 122.363 120.400 0.011 0.000 2.686 822 D HA -0.161 4.572 4.640 0.156 0.000 0.235 822 D C 0.704 177.022 176.300 0.030 0.000 1.160 822 D CA 1.849 55.861 54.000 0.020 0.000 0.645 822 D CB -1.191 39.627 40.800 0.029 0.000 1.039 822 D HN 0.611 nan 8.370 nan 0.000 0.423 823 G N -1.116 107.689 108.800 0.008 0.000 2.489 823 G HA2 0.634 4.688 3.960 0.156 0.000 0.305 823 G HA3 0.634 4.688 3.960 0.156 0.000 0.305 823 G C -1.531 173.337 174.900 -0.054 0.000 1.311 823 G CA -0.581 44.530 45.100 0.019 0.000 0.813 823 G HN 0.267 nan 8.290 nan 0.000 0.480 824 I N -0.329 120.222 120.570 -0.032 0.000 2.692 824 I HA 0.686 4.949 4.170 0.156 0.000 0.293 824 I C -0.803 175.359 176.117 0.075 0.000 1.200 824 I CA -0.996 60.246 61.300 -0.097 0.000 1.036 824 I CB 2.175 39.927 38.000 -0.414 0.000 1.258 824 I HN 0.587 nan 8.210 nan 0.000 0.421 825 R N 6.543 127.075 120.500 0.052 0.000 2.445 825 R HA 0.768 5.201 4.340 0.156 0.000 0.308 825 R C -2.052 174.301 176.300 0.088 0.000 0.961 825 R CA -0.516 55.644 56.100 0.099 0.000 0.862 825 R CB 1.869 32.206 30.300 0.063 0.000 1.144 825 R HN 0.477 nan 8.270 nan 0.000 0.447 826 V N 5.338 125.335 119.914 0.138 0.000 2.487 826 V HA 0.498 4.712 4.120 0.156 0.000 0.298 826 V C -0.290 175.864 176.094 0.100 0.000 1.028 826 V CA -0.798 61.572 62.300 0.116 0.000 0.860 826 V CB 1.754 33.681 31.823 0.172 0.000 0.991 826 V HN 0.753 nan 8.190 nan 0.000 0.427 827 R N 2.783 123.324 120.500 0.069 0.000 2.387 827 R HA 0.737 5.171 4.340 0.156 0.000 0.314 827 R C -0.330 175.999 176.300 0.048 0.000 0.958 827 R CA -0.433 55.704 56.100 0.063 0.000 0.846 827 R CB 2.214 32.544 30.300 0.051 0.000 1.147 827 R HN 0.882 nan 8.270 nan 0.000 0.447 828 T N -0.359 114.231 114.554 0.060 0.000 2.887 828 T HA 0.651 5.095 4.350 0.156 0.000 0.292 828 T C -0.697 174.026 174.700 0.037 0.000 1.087 828 T CA -1.113 60.990 62.100 0.005 0.000 1.009 828 T CB 2.303 71.147 68.868 -0.040 0.000 1.203 828 T HN 0.461 nan 8.240 nan 0.000 0.518 829 R N 0.134 120.601 120.500 -0.055 0.000 2.575 829 R HA 0.593 5.026 4.340 0.156 0.000 0.293 829 R C -2.207 174.047 176.300 -0.076 0.000 0.983 829 R CA -0.729 55.391 56.100 0.033 0.000 0.887 829 R CB 0.936 31.256 30.300 0.033 0.000 1.184 829 R HN 0.799 nan 8.270 nan 0.000 0.445 830 Y N 2.355 122.685 120.300 0.051 0.000 2.377 830 Y HA 0.819 5.435 4.550 0.111 0.000 0.339 830 Y C 0.085 176.047 175.900 0.103 0.000 1.011 830 Y CA -0.361 57.764 58.100 0.043 0.000 1.093 830 Y CB 2.528 40.984 38.460 -0.006 0.000 1.201 830 Y HN 0.803 nan 8.280 nan 0.000 0.455 831 A N 1.433 124.383 122.820 0.217 0.000 2.605 831 A HA 0.808 5.221 4.320 0.156 0.000 0.294 831 A C -1.551 176.119 177.584 0.143 0.000 1.062 831 A CA -0.541 51.622 52.037 0.210 0.000 0.682 831 A CB 0.488 19.573 19.000 0.142 0.000 1.278 831 A HN 0.867 nan 8.150 nan 0.000 0.410 832 A N 0.759 123.669 122.820 0.151 0.000 2.302 832 A HA 0.764 5.177 4.320 0.156 0.000 0.285 832 A C 0.804 178.416 177.584 0.047 0.000 1.105 832 A CA 0.195 52.287 52.037 0.090 0.000 0.816 832 A CB 0.215 19.281 19.000 0.111 0.000 1.067 832 A HN 2.543 nan 8.150 nan 0.000 0.489 833 A N 1.049 123.882 122.820 0.021 0.000 2.561 833 A HA 0.375 4.788 4.320 0.156 0.000 0.234 833 A C 0.792 178.377 177.584 0.001 0.000 1.055 833 A CA 1.135 53.175 52.037 0.004 0.000 0.756 833 A CB -0.429 18.568 19.000 -0.004 0.000 0.986 833 A HN 1.549 nan 8.150 nan 0.000 0.505 834 D N -0.683 119.709 120.400 -0.012 0.000 3.076 834 D HA -0.154 4.579 4.640 0.156 0.000 0.218 834 D C 0.126 176.402 176.300 -0.040 0.000 1.156 834 D CA 1.736 55.722 54.000 -0.023 0.000 0.921 834 D CB -1.151 39.640 40.800 -0.015 0.000 1.113 834 D HN 0.775 nan 8.370 nan 0.000 0.418 835 S N -1.804 113.869 115.700 -0.045 0.000 2.549 835 S HA 0.594 5.157 4.470 0.156 0.000 0.297 835 S C 1.330 175.823 174.600 -0.178 0.000 1.115 835 S CA 0.260 58.401 58.200 -0.100 0.000 1.059 835 S CB 1.553 64.738 63.200 -0.025 0.000 1.046 835 S HN 0.280 nan 8.310 nan 0.000 0.506 836 T N 0.615 114.945 114.554 -0.374 0.000 3.081 836 T HA 0.241 4.685 4.350 0.156 0.000 0.250 836 T C 0.467 174.898 174.700 -0.450 0.000 1.100 836 T CA 0.182 62.048 62.100 -0.390 0.000 1.038 836 T CB -0.341 68.269 68.868 -0.430 0.000 0.962 836 T HN 0.664 nan 8.240 nan 0.000 0.516 837 H N 2.126 121.036 119.070 -0.267 0.000 2.488 837 H HA 0.732 5.380 4.556 0.154 0.000 0.347 837 H C 0.277 175.587 175.328 -0.030 0.000 1.174 837 H CA -0.350 55.453 56.048 -0.408 0.000 1.307 837 H CB 1.608 30.577 29.762 -1.322 0.000 1.517 837 H HN 0.456 nan 8.280 nan 0.000 0.554 838 S N -0.191 115.751 115.700 0.403 0.000 2.615 838 S HA 0.548 5.111 4.470 0.156 0.000 0.269 838 S C -1.291 173.692 174.600 0.639 0.000 1.161 838 S CA -0.903 57.595 58.200 0.496 0.000 0.817 838 S CB 1.509 64.866 63.200 0.261 0.000 1.131 838 S HN 0.281 nan 8.310 nan 0.000 0.467 839 V N 1.184 121.351 119.914 0.421 0.000 2.482 839 V HA 0.783 4.996 4.120 0.156 0.000 0.295 839 V C 0.350 176.592 176.094 0.246 0.000 1.026 839 V CA -0.351 62.122 62.300 0.288 0.000 0.856 839 V CB 1.080 32.950 31.823 0.078 0.000 1.001 839 V HN 1.303 nan 8.190 nan 0.000 0.424 840 A N 4.778 127.718 122.820 0.201 0.000 2.354 840 A HA 0.805 5.218 4.320 0.156 0.000 0.269 840 A C -0.459 177.214 177.584 0.148 0.000 1.109 840 A CA -0.283 51.854 52.037 0.167 0.000 0.800 840 A CB 0.920 19.997 19.000 0.128 0.000 1.045 840 A HN 0.760 nan 8.150 nan 0.000 0.489 841 V N 1.976 121.987 119.914 0.162 0.000 2.638 841 V HA 0.495 4.709 4.120 0.156 0.000 0.306 841 V C -0.315 175.842 176.094 0.105 0.000 1.052 841 V CA -0.527 61.849 62.300 0.126 0.000 0.885 841 V CB 1.759 33.690 31.823 0.180 0.000 0.999 841 V HN 1.028 nan 8.190 nan 0.000 0.424 842 E N 2.894 123.136 120.200 0.070 0.000 2.234 842 E HA 0.561 5.005 4.350 0.156 0.000 0.266 842 E C -1.169 175.457 176.600 0.043 0.000 0.877 842 E CA -0.580 55.858 56.400 0.064 0.000 0.758 842 E CB 1.898 31.630 29.700 0.053 0.000 1.170 842 E HN 0.766 nan 8.360 nan 0.000 0.415 843 E N 3.185 123.425 120.200 0.066 0.000 2.158 843 E HA 0.337 4.781 4.350 0.156 0.000 0.271 843 E C -0.940 175.698 176.600 0.065 0.000 0.911 843 E CA -0.700 55.713 56.400 0.021 0.000 0.767 843 E CB 1.429 31.196 29.700 0.111 0.000 1.120 843 E HN 0.325 nan 8.360 nan 0.000 0.405 844 N N 3.534 122.226 118.700 -0.014 0.000 2.518 844 N HA 0.173 5.007 4.740 0.156 0.000 0.254 844 N C -1.368 174.162 175.510 0.034 0.000 0.979 844 N CA -0.463 52.621 53.050 0.057 0.000 0.930 844 N CB 0.797 39.306 38.487 0.036 0.000 1.152 844 N HN 0.300 nan 8.380 nan 0.000 0.505 845 W N 1.867 123.194 121.300 0.044 0.000 2.331 845 W HA 0.385 4.951 4.660 -0.157 0.000 0.306 845 W C 0.386 176.922 176.519 0.029 0.000 1.162 845 W CA -0.486 56.899 57.345 0.067 0.000 1.232 845 W CB 0.858 30.375 29.460 0.094 0.000 1.235 845 W HN 0.155 nan 8.180 nan 0.000 0.479 846 Q N 2.665 122.606 119.800 0.235 0.000 2.315 846 Q HA 0.442 4.875 4.340 0.156 0.000 0.273 846 Q C -0.950 175.126 176.000 0.127 0.000 1.053 846 Q CA -1.058 54.830 55.803 0.142 0.000 0.817 846 Q CB 2.514 31.304 28.738 0.087 0.000 1.326 846 Q HN 0.371 nan 8.270 nan 0.000 0.423 847 L N 2.135 123.419 121.223 0.101 0.000 2.313 847 L HA 0.416 4.849 4.340 0.156 0.000 0.282 847 L C -0.591 176.311 176.870 0.054 0.000 1.092 847 L CA 0.095 54.983 54.840 0.079 0.000 0.831 847 L CB 0.612 42.712 42.059 0.068 0.000 1.159 847 L HN 0.603 nan 8.230 nan 0.000 0.442 848 D N 1.821 122.247 120.400 0.044 0.000 2.990 848 D HA 0.457 5.190 4.640 0.156 0.000 0.227 848 D C 0.421 176.735 176.300 0.022 0.000 1.249 848 D CA 0.285 54.304 54.000 0.031 0.000 0.891 848 D CB 1.711 42.529 40.800 0.030 0.000 1.647 848 D HN 0.640 nan 8.370 nan 0.000 0.530 849 G N 2.338 111.148 108.800 0.017 0.000 2.249 849 G HA2 0.010 4.064 3.960 0.156 0.000 0.273 849 G HA3 0.010 4.064 3.960 0.156 0.000 0.273 849 G C 1.115 176.020 174.900 0.007 0.000 1.036 849 G CA 0.820 45.926 45.100 0.010 0.000 0.824 849 G HN 1.688 nan 8.290 nan 0.000 0.504 850 G N -1.731 107.076 108.800 0.011 0.000 2.162 850 G HA2 -0.232 3.821 3.960 0.156 0.000 0.260 850 G HA3 -0.232 3.821 3.960 0.156 0.000 0.260 850 G C 0.084 174.989 174.900 0.009 0.000 0.976 850 G CA 1.154 46.259 45.100 0.009 0.000 0.655 850 G HN 1.075 nan 8.290 nan 0.000 0.533 851 E N -0.909 119.300 120.200 0.015 0.000 2.244 851 E HA 0.602 5.045 4.350 0.156 0.000 0.266 851 E C -0.670 175.956 176.600 0.043 0.000 0.914 851 E CA -1.210 55.199 56.400 0.016 0.000 0.794 851 E CB 2.100 31.802 29.700 0.003 0.000 1.210 851 E HN 0.123 nan 8.360 nan 0.000 0.414 852 L N 2.642 123.899 121.223 0.057 0.000 2.283 852 L HA 0.225 4.659 4.340 0.156 0.000 0.287 852 L C -1.178 175.747 176.870 0.091 0.000 1.073 852 L CA -0.216 54.694 54.840 0.117 0.000 0.822 852 L CB -0.049 42.114 42.059 0.172 0.000 1.186 852 L HN 0.586 nan 8.230 nan 0.000 0.436 853 C N 5.500 124.854 119.300 0.090 0.000 2.341 853 C HA 0.654 5.207 4.460 0.156 0.000 0.338 853 C C -0.197 174.795 174.990 0.003 0.000 1.257 853 C CA -0.871 58.169 59.018 0.036 0.000 1.883 853 C CB 0.838 28.597 27.740 0.031 0.000 2.334 853 C HN 0.738 nan 8.230 nan 0.000 0.524 854 L N 4.292 125.453 121.223 -0.103 0.000 2.406 854 L HA 0.556 4.989 4.340 0.156 0.000 0.270 854 L C -0.206 176.556 176.870 -0.181 0.000 0.982 854 L CA -0.255 54.412 54.840 -0.287 0.000 0.843 854 L CB 0.578 42.299 42.059 -0.563 0.000 1.225 854 L HN 0.753 nan 8.230 nan 0.000 0.412 855 R N 5.665 126.078 120.500 -0.144 0.000 2.294 855 R HA 0.694 5.127 4.340 0.156 0.000 0.319 855 R C -1.386 174.858 176.300 -0.093 0.000 0.984 855 R CA -0.491 55.560 56.100 -0.081 0.000 0.861 855 R CB 0.827 31.107 30.300 -0.033 0.000 1.104 855 R HN 0.764 nan 8.270 nan 0.000 0.451 856 I N 4.320 124.850 120.570 -0.066 0.000 2.382 856 I HA 0.236 4.500 4.170 0.156 0.000 0.286 856 I C -0.750 175.355 176.117 -0.020 0.000 1.002 856 I CA -0.729 60.539 61.300 -0.054 0.000 1.135 856 I CB 1.858 39.819 38.000 -0.066 0.000 1.288 856 I HN 0.466 nan 8.210 nan 0.000 0.448 857 D N 8.028 128.427 120.400 -0.002 0.000 2.303 857 D HA 0.502 5.235 4.640 0.156 0.000 0.236 857 D C -0.323 175.991 176.300 0.022 0.000 1.068 857 D CA -0.094 53.915 54.000 0.015 0.000 0.830 857 D CB 2.539 43.354 40.800 0.025 0.000 1.109 857 D HN 0.309 nan 8.370 nan 0.000 0.496 858 I N 1.736 122.318 120.570 0.021 0.000 2.382 858 I HA 0.187 4.450 4.170 0.156 0.000 0.286 858 I C 0.009 176.160 176.117 0.058 0.000 1.002 858 I CA -0.480 60.833 61.300 0.023 0.000 1.135 858 I CB 1.663 39.654 38.000 -0.015 0.000 1.288 858 I HN 0.217 nan 8.210 nan 0.000 0.448 859 T N 3.205 117.809 114.554 0.084 0.000 3.068 859 T HA 0.457 4.900 4.350 0.156 0.000 0.364 859 T C -2.678 172.115 174.700 0.156 0.000 1.161 859 T CA -2.069 60.093 62.100 0.105 0.000 1.155 859 T CB 0.906 69.828 68.868 0.089 0.000 1.060 859 T HN 0.110 nan 8.240 nan 0.000 0.513 860 P HA 0.230 nan 4.420 nan 0.000 0.271 860 P C 0.604 178.108 177.300 0.340 0.000 1.218 860 P CA -0.222 63.066 63.100 0.314 0.000 0.780 860 P CB 0.604 32.489 31.700 0.308 0.000 0.901 861 S N 1.420 117.397 115.700 0.460 0.000 2.587 861 S HA 0.212 4.775 4.470 0.156 0.000 0.260 861 S C 1.398 176.192 174.600 0.324 0.000 1.353 861 S CA 0.153 58.554 58.200 0.336 0.000 0.995 861 S CB 0.079 63.452 63.200 0.288 0.000 0.912 861 S HN 0.476 nan 8.310 nan 0.000 0.568 862 A N 0.914 123.844 122.820 0.183 0.000 2.014 862 A HA 0.240 4.654 4.320 0.156 0.000 0.218 862 A C 2.038 179.668 177.584 0.077 0.000 1.163 862 A CA 1.091 53.202 52.037 0.123 0.000 0.652 862 A CB -1.461 17.586 19.000 0.079 0.000 0.808 862 A HN 1.159 nan 8.150 nan 0.000 0.449 863 G N -1.838 106.979 108.800 0.029 0.000 2.848 863 G HA2 0.094 4.148 3.960 0.156 0.000 0.208 863 G HA3 0.094 4.148 3.960 0.156 0.000 0.208 863 G C 0.063 174.735 174.900 -0.380 0.000 1.152 863 G CA -0.511 44.528 45.100 -0.103 0.000 0.789 863 G HN 0.508 nan 8.290 nan 0.000 0.531 864 W N 0.493 121.642 121.300 -0.252 0.000 2.356 864 W HA 0.417 5.172 4.660 0.158 0.000 0.311 864 W C 0.455 176.834 176.519 -0.233 0.000 1.328 864 W CA -0.723 56.451 57.345 -0.285 0.000 1.251 864 W CB 0.666 30.040 29.460 -0.143 0.000 1.280 864 W HN 0.007 nan 8.180 nan 0.000 0.524 865 N N 5.543 124.272 118.700 0.048 0.000 2.703 865 N HA 0.291 5.124 4.740 0.156 0.000 0.283 865 N C -1.693 173.850 175.510 0.055 0.000 1.851 865 N CA -0.329 52.727 53.050 0.011 0.000 0.826 865 N CB -0.198 38.281 38.487 -0.013 0.000 1.239 865 N HN 0.436 nan 8.380 nan 0.000 0.495 866 L N -2.392 118.872 121.223 0.068 0.000 2.710 866 L HA 0.685 5.118 4.340 0.156 0.000 0.260 866 L C -1.162 175.744 176.870 0.059 0.000 0.993 866 L CA -1.120 53.792 54.840 0.120 0.000 0.877 866 L CB 1.063 43.289 42.059 0.278 0.000 1.461 866 L HN -0.297 nan 8.230 nan 0.000 0.413 867 V N 1.383 121.362 119.914 0.109 0.000 2.763 867 V HA 0.050 4.263 4.120 0.156 0.000 0.306 867 V C -0.570 175.730 176.094 0.342 0.000 1.059 867 V CA 0.707 63.058 62.300 0.086 0.000 1.138 867 V CB 0.492 32.303 31.823 -0.019 0.000 0.940 867 V HN 0.539 nan 8.190 nan 0.000 0.489 868 W N 6.109 127.356 121.300 -0.088 0.000 2.496 868 W HA 0.443 5.201 4.660 0.163 0.000 0.327 868 W C -1.621 174.628 176.519 -0.449 0.000 1.086 868 W CA -2.429 54.736 57.345 -0.300 0.000 1.222 868 W CB 0.817 30.096 29.460 -0.302 0.000 1.304 868 W HN 0.421 nan 8.180 nan 0.000 0.547 869 P HA -0.085 nan 4.420 nan 0.000 0.217 869 P C -0.444 176.673 177.300 -0.305 0.000 1.151 869 P CA 1.719 64.376 63.100 -0.739 0.000 0.828 869 P CB 0.454 31.354 31.700 -1.334 0.000 0.788 870 R N -2.287 118.041 120.500 -0.287 0.000 2.728 870 R HA 0.629 5.062 4.340 0.156 0.000 0.274 870 R C -1.613 174.586 176.300 -0.169 0.000 1.032 870 R CA -0.783 55.207 56.100 -0.184 0.000 0.866 870 R CB 0.299 30.461 30.300 -0.231 0.000 1.263 870 R HN -0.250 nan 8.270 nan 0.000 0.475 871 I N 1.058 121.573 120.570 -0.092 0.000 2.439 871 I HA 0.743 5.006 4.170 0.156 0.000 0.283 871 I C -0.241 175.830 176.117 -0.077 0.000 1.023 871 I CA -0.402 60.833 61.300 -0.108 0.000 1.100 871 I CB 1.986 39.992 38.000 0.009 0.000 1.238 871 I HN 0.940 nan 8.210 nan 0.000 0.445 872 G N 4.590 113.327 108.800 -0.105 0.000 2.682 872 G HA2 0.724 4.777 3.960 0.156 0.000 0.303 872 G HA3 0.724 4.777 3.960 0.156 0.000 0.303 872 G C -1.459 173.391 174.900 -0.083 0.000 1.341 872 G CA -0.556 44.526 45.100 -0.030 0.000 0.784 872 G HN 0.453 nan 8.290 nan 0.000 0.497 873 V N -2.280 117.603 119.914 -0.051 0.000 2.735 873 V HA 0.887 5.101 4.120 0.156 0.000 0.310 873 V C -0.427 175.527 176.094 -0.234 0.000 1.061 873 V CA -1.168 61.007 62.300 -0.209 0.000 0.913 873 V CB 1.813 33.441 31.823 -0.325 0.000 1.005 873 V HN 0.952 nan 8.190 nan 0.000 0.428 874 R N 2.603 122.867 120.500 -0.394 0.000 2.532 874 R HA 0.645 5.078 4.340 0.156 0.000 0.295 874 R C -1.986 174.058 176.300 -0.427 0.000 0.968 874 R CA -0.545 55.278 56.100 -0.462 0.000 0.916 874 R CB 1.609 31.562 30.300 -0.578 0.000 1.124 874 R HN 0.845 nan 8.270 nan 0.000 0.463 875 W N 2.401 123.637 121.300 -0.107 0.000 2.702 875 W HA 0.324 5.234 4.660 0.417 0.000 0.331 875 W C -0.949 175.548 176.519 -0.035 0.000 1.049 875 W CA -0.692 56.640 57.345 -0.023 0.000 1.230 875 W CB 1.601 31.074 29.460 0.022 0.000 1.408 875 W HN 0.399 nan 8.180 nan 0.000 0.492 876 D N 3.364 123.833 120.400 0.115 0.000 2.274 876 D HA 0.549 5.282 4.640 0.156 0.000 0.239 876 D C -0.266 175.940 176.300 -0.156 0.000 1.104 876 D CA -0.190 53.690 54.000 -0.199 0.000 0.840 876 D CB 1.044 41.597 40.800 -0.413 0.000 1.100 876 D HN 0.149 nan 8.370 nan 0.000 0.477 877 L N 2.179 123.297 121.223 -0.175 0.000 2.279 877 L HA 0.578 5.011 4.340 0.156 0.000 0.262 877 L C -2.380 174.473 176.870 -0.027 0.000 1.019 877 L CA -2.518 52.295 54.840 -0.044 0.000 0.823 877 L CB 1.581 43.643 42.059 0.005 0.000 1.358 877 L HN 0.025 nan 8.230 nan 0.000 0.432 878 P HA 0.017 nan 4.420 nan 0.000 0.269 878 P C 0.580 177.789 177.300 -0.152 0.000 1.215 878 P CA -0.159 62.854 63.100 -0.145 0.000 0.780 878 P CB 0.505 32.055 31.700 -0.250 0.000 0.898 879 T N -1.971 112.494 114.554 -0.149 0.000 2.929 879 T HA -0.188 4.255 4.350 0.156 0.000 0.271 879 T C 0.973 175.611 174.700 -0.103 0.000 1.085 879 T CA 1.414 63.440 62.100 -0.124 0.000 1.125 879 T CB -0.891 67.905 68.868 -0.119 0.000 0.874 879 T HN 0.445 nan 8.240 nan 0.000 0.494 880 D N 1.178 121.501 120.400 -0.129 0.000 2.363 880 D HA 0.006 4.740 4.640 0.156 0.000 0.226 880 D C 0.352 176.585 176.300 -0.111 0.000 1.020 880 D CA -0.195 53.738 54.000 -0.112 0.000 0.892 880 D CB -0.728 39.999 40.800 -0.121 0.000 0.900 880 D HN 0.337 nan 8.370 nan 0.000 0.531 881 V N 2.374 122.209 119.914 -0.132 0.000 2.397 881 V HA 0.158 4.371 4.120 0.156 0.000 0.262 881 V C 0.197 176.299 176.094 0.013 0.000 1.047 881 V CA 0.205 62.466 62.300 -0.065 0.000 1.003 881 V CB 0.590 32.374 31.823 -0.065 0.000 1.037 881 V HN 0.264 nan 8.190 nan 0.000 0.480 882 D N 2.470 122.896 120.400 0.043 0.000 2.594 882 D HA 0.368 5.102 4.640 0.156 0.000 0.256 882 D C 0.241 176.595 176.300 0.089 0.000 1.393 882 D CA 0.182 54.216 54.000 0.057 0.000 0.797 882 D CB 0.841 41.660 40.800 0.031 0.000 1.110 882 D HN 0.585 nan 8.370 nan 0.000 0.495 883 G N -0.932 107.938 108.800 0.117 0.000 2.576 883 G HA2 0.694 4.747 3.960 0.156 0.000 0.290 883 G HA3 0.694 4.747 3.960 0.156 0.000 0.290 883 G C -1.890 173.117 174.900 0.178 0.000 1.442 883 G CA -0.402 44.787 45.100 0.149 0.000 0.792 883 G HN 0.487 nan 8.290 nan 0.000 0.491 884 A N -1.079 121.884 122.820 0.238 0.000 2.572 884 A HA 1.028 5.442 4.320 0.156 0.000 0.295 884 A C -0.404 177.421 177.584 0.403 0.000 1.072 884 A CA 0.065 52.261 52.037 0.265 0.000 0.691 884 A CB 1.617 20.765 19.000 0.246 0.000 1.291 884 A HN 2.386 nan 8.150 nan 0.000 0.404 885 A N 0.382 123.430 122.820 0.379 0.000 2.374 885 A HA 0.937 5.350 4.320 0.156 0.000 0.317 885 A C -0.948 176.883 177.584 0.411 0.000 1.094 885 A CA -0.291 51.975 52.037 0.383 0.000 0.765 885 A CB 0.683 19.880 19.000 0.329 0.000 1.268 885 A HN 2.067 nan 8.150 nan 0.000 0.438 886 W N 0.136 121.321 121.300 -0.192 0.000 3.137 886 W HA 0.695 5.451 4.660 0.159 0.000 0.324 886 W C -2.109 173.913 176.519 -0.830 0.000 1.253 886 W CA -1.170 55.811 57.345 -0.606 0.000 1.183 886 W CB 0.824 30.195 29.460 -0.149 0.000 1.424 886 W HN 0.618 nan 8.180 nan 0.000 0.566 887 F N 2.788 121.956 119.950 -1.304 0.000 2.402 887 F HA 0.798 5.417 4.527 0.153 0.000 0.355 887 F C 0.288 175.862 175.800 -0.376 0.000 1.123 887 F CA 0.530 57.986 58.000 -0.907 0.000 1.021 887 F CB 1.183 39.631 39.000 -0.921 0.000 1.160 887 F HN 0.964 nan 8.300 nan 0.000 0.451 888 G N 2.926 111.305 108.800 -0.703 0.000 2.367 888 G HA2 0.444 4.498 3.960 0.156 0.000 0.272 888 G HA3 0.444 4.498 3.960 0.156 0.000 0.272 888 G C -1.669 173.100 174.900 -0.218 0.000 1.271 888 G CA -0.348 44.546 45.100 -0.343 0.000 0.893 888 G HN 0.876 nan 8.290 nan 0.000 0.485 889 A N -0.579 122.181 122.820 -0.099 0.000 2.450 889 A HA 0.792 5.206 4.320 0.156 0.000 0.255 889 A C 0.895 178.429 177.584 -0.083 0.000 1.096 889 A CA 1.524 53.485 52.037 -0.127 0.000 0.778 889 A CB 0.167 19.070 19.000 -0.162 0.000 1.031 889 A HN 2.472 nan 8.150 nan 0.000 0.494 890 G N 1.131 109.718 108.800 -0.355 0.000 2.427 890 G HA2 0.543 4.597 3.960 0.156 0.000 0.306 890 G HA3 0.543 4.596 3.960 0.156 0.000 0.306 890 G C -2.713 171.817 174.900 -0.617 0.000 1.280 890 G CA 0.137 44.808 45.100 -0.716 0.000 0.837 890 G HN 0.310 nan 8.290 nan 0.000 0.482 891 P HA 0.123 nan 4.420 nan 0.000 0.235 891 P C 0.665 177.881 177.300 -0.140 0.000 1.177 891 P CA 0.386 63.204 63.100 -0.470 0.000 0.785 891 P CB 0.547 32.132 31.700 -0.192 0.000 0.885 892 R N 0.765 121.158 120.500 -0.179 0.000 2.608 892 R HA 0.260 4.693 4.340 0.156 0.000 0.255 892 R C 0.765 176.979 176.300 -0.144 0.000 1.086 892 R CA -0.783 55.238 56.100 -0.131 0.000 1.125 892 R CB 0.543 30.753 30.300 -0.149 0.000 1.193 892 R HN 0.115 nan 8.270 nan 0.000 0.553 893 E N 0.609 120.737 120.200 -0.119 0.000 2.437 893 E HA 0.081 4.524 4.350 0.156 0.000 0.263 893 E C -0.987 175.551 176.600 -0.103 0.000 1.030 893 E CA -0.133 56.177 56.400 -0.151 0.000 0.934 893 E CB 0.675 30.394 29.700 0.032 0.000 0.943 893 E HN 0.550 nan 8.360 nan 0.000 0.444 894 S N 1.645 117.177 115.700 -0.281 0.000 2.541 894 S HA 0.572 5.135 4.470 0.156 0.000 0.271 894 S C -1.459 172.909 174.600 -0.387 0.000 1.133 894 S CA -0.931 57.169 58.200 -0.167 0.000 0.876 894 S CB 0.798 63.904 63.200 -0.157 0.000 1.105 894 S HN 0.542 nan 8.310 nan 0.000 0.470 895 Y N 0.079 120.374 120.300 -0.008 0.000 2.609 895 Y HA 0.524 5.167 4.550 0.155 0.000 0.342 895 Y C -2.140 173.720 175.900 -0.066 0.000 1.058 895 Y CA -2.276 55.813 58.100 -0.019 0.000 1.055 895 Y CB 1.352 39.772 38.460 -0.067 0.000 1.292 895 Y HN 0.380 nan 8.280 nan 0.000 0.476 896 P HA -0.164 nan 4.420 nan 0.000 0.216 896 P C 0.411 177.541 177.300 -0.284 0.000 1.150 896 P CA 2.035 65.165 63.100 0.049 0.000 0.843 896 P CB 0.205 32.041 31.700 0.226 0.000 0.787 897 D N -2.265 117.917 120.400 -0.364 0.000 2.342 897 D HA 0.074 4.807 4.640 0.156 0.000 0.221 897 D C 0.065 176.184 176.300 -0.302 0.000 1.101 897 D CA 0.045 53.617 54.000 -0.713 0.000 0.837 897 D CB -0.345 40.188 40.800 -0.445 0.000 0.938 897 D HN -0.036 nan 8.370 nan 0.000 0.508 898 S N 0.158 115.770 115.700 -0.147 0.000 2.440 898 S HA 0.289 4.853 4.470 0.156 0.000 0.142 898 S C 0.154 174.740 174.600 -0.024 0.000 1.578 898 S CA -0.565 57.623 58.200 -0.019 0.000 1.260 898 S CB -0.141 63.092 63.200 0.056 0.000 1.407 898 S HN 0.020 nan 8.310 nan 0.000 0.392 899 M N 1.718 121.247 119.600 -0.117 0.000 2.306 899 M HA 0.292 4.865 4.480 0.156 0.000 0.292 899 M C 1.224 177.429 176.300 -0.160 0.000 1.018 899 M CA 0.172 55.379 55.300 -0.154 0.000 1.007 899 M CB -0.814 31.659 32.600 -0.212 0.000 1.510 899 M HN 0.569 nan 8.290 nan 0.000 0.537 900 H N 0.303 119.368 119.070 -0.008 0.000 2.423 900 H HA 0.125 4.775 4.556 0.156 0.000 0.297 900 H C 1.213 176.550 175.328 0.016 0.000 1.075 900 H CA 1.501 57.553 56.048 0.007 0.000 1.342 900 H CB 0.309 30.076 29.762 0.009 0.000 1.395 900 H HN 0.309 nan 8.280 nan 0.000 0.530 901 A N 1.590 124.485 122.820 0.124 0.000 2.476 901 A HA 0.132 4.546 4.320 0.156 0.000 0.263 901 A C 0.849 178.440 177.584 0.013 0.000 1.342 901 A CA -0.035 52.060 52.037 0.097 0.000 0.926 901 A CB -0.598 18.499 19.000 0.162 0.000 1.019 901 A HN 0.347 nan 8.150 nan 0.000 0.515 902 T N -2.799 111.739 114.554 -0.026 0.000 2.940 902 T HA 0.781 5.224 4.350 0.156 0.000 0.288 902 T C -0.389 174.260 174.700 -0.086 0.000 1.033 902 T CA -0.682 61.365 62.100 -0.088 0.000 1.033 902 T CB 1.405 70.198 68.868 -0.124 0.000 1.079 902 T HN 0.148 nan 8.240 nan 0.000 0.496 903 M N 1.800 121.332 119.600 -0.113 0.000 2.457 903 M HA 0.433 5.007 4.480 0.156 0.000 0.300 903 M C -1.051 175.093 176.300 -0.260 0.000 1.141 903 M CA -1.155 54.055 55.300 -0.150 0.000 0.901 903 M CB 2.878 35.428 32.600 -0.084 0.000 1.687 903 M HN 0.407 nan 8.290 nan 0.000 0.449 904 V N 2.694 122.266 119.914 -0.571 0.000 2.405 904 V HA 0.710 4.923 4.120 0.156 0.000 0.264 904 V C 0.163 175.667 176.094 -0.984 0.000 1.048 904 V CA 0.137 61.870 62.300 -0.943 0.000 0.966 904 V CB -0.078 30.767 31.823 -1.629 0.000 1.015 904 V HN 0.967 nan 8.190 nan 0.000 0.477 905 A N 5.475 127.686 122.820 -1.016 0.000 2.493 905 A HA 0.726 5.139 4.320 0.156 0.000 0.300 905 A C -0.625 176.300 177.584 -1.099 0.000 1.152 905 A CA -0.911 50.594 52.037 -0.888 0.000 0.643 905 A CB 1.180 19.787 19.000 -0.655 0.000 1.316 905 A HN 0.591 nan 8.150 nan 0.000 0.469 906 R N 0.893 121.020 120.500 -0.623 0.000 2.265 906 R HA 0.511 4.945 4.340 0.156 0.000 0.314 906 R C -1.031 174.706 176.300 -0.939 0.000 1.053 906 R CA -0.195 55.566 56.100 -0.564 0.000 0.931 906 R CB 0.187 30.434 30.300 -0.089 0.000 1.024 906 R HN 0.837 nan 8.270 nan 0.000 0.457 907 H N 1.185 119.728 119.070 -0.879 0.000 2.834 907 H HA 0.692 5.340 4.556 0.155 0.000 0.369 907 H C -0.993 173.858 175.328 -0.794 0.000 1.174 907 H CA -0.836 54.604 56.048 -1.013 0.000 1.165 907 H CB 2.295 30.973 29.762 -1.807 0.000 1.820 907 H HN 0.709 nan 8.280 nan 0.000 0.558 908 A N 0.530 123.184 122.820 -0.276 0.000 2.517 908 A HA 0.729 5.143 4.320 0.156 0.000 0.297 908 A C -1.461 176.233 177.584 0.183 0.000 1.050 908 A CA -0.089 51.974 52.037 0.044 0.000 0.694 908 A CB 1.673 20.704 19.000 0.052 0.000 1.277 908 A HN 0.852 nan 8.150 nan 0.000 0.400 909 A N 1.073 124.096 122.820 0.339 0.000 2.547 909 A HA 0.815 5.229 4.320 0.156 0.000 0.297 909 A C 0.079 177.793 177.584 0.217 0.000 1.056 909 A CA 0.191 52.387 52.037 0.266 0.000 0.688 909 A CB 0.919 20.111 19.000 0.321 0.000 1.282 909 A HN 2.289 nan 8.150 nan 0.000 0.400 910 S N 1.244 117.031 115.700 0.145 0.000 2.617 910 S HA 0.429 4.992 4.470 0.156 0.000 0.259 910 S C 1.188 175.855 174.600 0.112 0.000 1.301 910 S CA -0.225 58.046 58.200 0.119 0.000 0.984 910 S CB 0.160 63.412 63.200 0.087 0.000 0.954 910 S HN 0.721 nan 8.310 nan 0.000 0.572 911 L N 0.448 121.730 121.223 0.098 0.000 2.042 911 L HA -0.145 4.289 4.340 0.156 0.000 0.210 911 L C 2.982 179.894 176.870 0.070 0.000 1.076 911 L CA 1.819 56.712 54.840 0.089 0.000 0.749 911 L CB -0.579 41.529 42.059 0.082 0.000 0.893 911 L HN 0.826 nan 8.230 nan 0.000 0.432 912 E N -0.324 119.913 120.200 0.062 0.000 2.150 912 E HA -0.225 4.219 4.350 0.156 0.000 0.193 912 E C 1.939 178.560 176.600 0.035 0.000 0.985 912 E CA 1.109 57.537 56.400 0.047 0.000 0.814 912 E CB 0.110 29.837 29.700 0.045 0.000 0.752 912 E HN 0.558 nan 8.360 nan 0.000 0.466 913 E N 0.056 120.285 120.200 0.049 0.000 2.299 913 E HA -0.059 4.384 4.350 0.156 0.000 0.193 913 E C 1.979 178.600 176.600 0.035 0.000 0.998 913 E CA 0.212 56.638 56.400 0.044 0.000 0.851 913 E CB 0.202 29.943 29.700 0.069 0.000 0.795 913 E HN 0.225 nan 8.360 nan 0.000 0.492 914 L N 0.744 121.991 121.223 0.041 0.000 2.131 914 L HA -0.023 4.410 4.340 0.156 0.000 0.206 914 L C 0.421 177.268 176.870 -0.038 0.000 1.087 914 L CA 0.541 55.379 54.840 -0.003 0.000 0.767 914 L CB 0.043 42.109 42.059 0.013 0.000 0.917 914 L HN 0.063 nan 8.230 nan 0.000 0.441 915 N N -0.595 118.096 118.700 -0.014 0.000 2.321 915 N HA 0.290 5.124 4.740 0.156 0.000 0.299 915 N C -0.838 174.626 175.510 -0.076 0.000 1.048 915 N CA -0.353 52.684 53.050 -0.022 0.000 0.836 915 N CB 2.504 41.006 38.487 0.024 0.000 1.269 915 N HN -0.298 nan 8.380 nan 0.000 0.486 916 V N 3.242 123.056 119.914 -0.167 0.000 2.461 916 V HA 0.254 4.467 4.120 0.156 0.000 0.275 916 V C -1.697 174.151 176.094 -0.410 0.000 1.047 916 V CA -1.202 60.863 62.300 -0.393 0.000 0.955 916 V CB 1.105 32.455 31.823 -0.789 0.000 0.988 916 V HN 0.552 nan 8.190 nan 0.000 0.471 917 P HA 0.176 nan 4.420 nan 0.000 0.237 917 P C -0.555 176.664 177.300 -0.135 0.000 1.788 917 P CA -0.267 62.755 63.100 -0.129 0.000 1.061 917 P CB -0.415 31.268 31.700 -0.028 0.000 1.967 918 Y N 0.876 121.171 120.300 -0.007 0.000 2.597 918 Y HA 0.069 4.711 4.550 0.154 0.000 0.336 918 Y C 2.210 178.113 175.900 0.005 0.000 1.216 918 Y CA -0.380 57.697 58.100 -0.039 0.000 1.463 918 Y CB 0.406 38.819 38.460 -0.078 0.000 1.303 918 Y HN 0.292 nan 8.280 nan 0.000 0.576 919 A N 3.649 126.574 122.820 0.176 0.000 1.927 919 A HA -0.202 4.211 4.320 0.156 0.000 0.220 919 A C 1.318 179.015 177.584 0.188 0.000 1.185 919 A CA 1.402 53.561 52.037 0.203 0.000 0.639 919 A CB -0.293 18.808 19.000 0.168 0.000 0.820 919 A HN 0.743 nan 8.150 nan 0.000 0.451 920 R N 0.259 120.788 120.500 0.049 0.000 2.265 920 R HA 0.358 4.792 4.340 0.156 0.000 0.328 920 R C -3.010 173.300 176.300 0.016 0.000 0.969 920 R CA -2.454 53.636 56.100 -0.017 0.000 0.832 920 R CB 0.961 31.158 30.300 -0.171 0.000 1.139 920 R HN 0.067 nan 8.270 nan 0.000 0.457 921 P HA -0.084 nan 4.420 nan 0.000 0.264 921 P C -1.151 176.159 177.300 0.017 0.000 1.183 921 P CA 0.467 63.594 63.100 0.046 0.000 0.763 921 P CB 0.697 32.408 31.700 0.019 0.000 0.807 922 Q N 0.533 120.355 119.800 0.035 0.000 2.737 922 Q HA 0.390 4.823 4.340 0.156 0.000 0.307 922 Q C -0.987 175.001 176.000 -0.019 0.000 0.905 922 Q CA -1.151 54.631 55.803 -0.035 0.000 0.753 922 Q CB 0.539 29.203 28.738 -0.123 0.000 1.463 922 Q HN 0.107 nan 8.270 nan 0.000 0.455 923 E N 0.989 121.128 120.200 -0.102 0.000 2.820 923 E HA 0.124 4.567 4.350 0.156 0.000 0.251 923 E C -1.234 175.378 176.600 0.020 0.000 0.944 923 E CA 1.348 57.692 56.400 -0.092 0.000 0.955 923 E CB 0.304 29.901 29.700 -0.172 0.000 0.904 923 E HN 0.642 nan 8.360 nan 0.000 0.513 924 T N 2.286 116.903 114.554 0.105 0.000 2.840 924 T HA 0.554 4.997 4.350 0.156 0.000 0.317 924 T C 0.339 175.120 174.700 0.135 0.000 1.401 924 T CA 0.302 62.526 62.100 0.206 0.000 1.028 924 T CB 0.760 69.762 68.868 0.223 0.000 1.317 924 T HN 1.006 nan 8.240 nan 0.000 0.495 925 G N 1.885 110.746 108.800 0.101 0.000 2.175 925 G HA2 -0.194 3.859 3.960 0.156 0.000 0.244 925 G HA3 -0.194 3.859 3.960 0.156 0.000 0.244 925 G C -0.036 174.713 174.900 -0.252 0.000 0.982 925 G CA 0.680 45.734 45.100 -0.075 0.000 0.641 925 G HN 1.307 nan 8.290 nan 0.000 0.527 926 H N 1.691 120.566 119.070 -0.325 0.000 3.046 926 H HA 0.564 5.212 4.556 0.152 0.000 0.303 926 H C 0.522 175.415 175.328 -0.725 0.000 1.002 926 H CA 0.093 55.793 56.048 -0.581 0.000 1.460 926 H CB 0.478 29.808 29.762 -0.719 0.000 1.493 926 H HN 0.114 nan 8.280 nan 0.000 0.559 927 R N 4.129 123.815 120.500 -1.356 0.000 2.229 927 R HA 0.272 4.705 4.340 0.156 0.000 0.332 927 R C -0.385 175.232 176.300 -1.139 0.000 0.989 927 R CA -0.585 54.767 56.100 -1.247 0.000 0.842 927 R CB 1.189 30.413 30.300 -1.793 0.000 1.119 927 R HN 0.621 nan 8.270 nan 0.000 0.456 928 S N 1.103 116.358 115.700 -0.741 0.000 2.632 928 S HA 0.110 4.673 4.470 0.156 0.000 0.271 928 S C 0.078 174.550 174.600 -0.213 0.000 1.260 928 S CA -0.466 57.474 58.200 -0.432 0.000 1.010 928 S CB 0.690 63.754 63.200 -0.227 0.000 0.965 928 S HN 0.659 nan 8.310 nan 0.000 0.534 929 D N 0.304 120.644 120.400 -0.100 0.000 2.716 929 D HA -0.144 4.590 4.640 0.156 0.000 0.239 929 D C -0.867 175.422 176.300 -0.017 0.000 1.125 929 D CA 0.294 54.271 54.000 -0.037 0.000 0.681 929 D CB -1.260 39.504 40.800 -0.060 0.000 1.070 929 D HN 0.204 nan 8.370 nan 0.000 0.432 930 V N 1.245 121.168 119.914 0.015 0.000 2.461 930 V HA 0.303 4.516 4.120 0.156 0.000 0.275 930 V C 1.603 177.754 176.094 0.094 0.000 1.047 930 V CA -0.231 62.111 62.300 0.069 0.000 0.955 930 V CB 1.669 33.559 31.823 0.112 0.000 0.988 930 V HN 0.135 nan 8.190 nan 0.000 0.471 931 R N 3.882 124.445 120.500 0.104 0.000 2.080 931 R HA 0.158 4.591 4.340 0.156 0.000 0.222 931 R C 0.238 176.687 176.300 0.248 0.000 1.107 931 R CA 0.967 57.181 56.100 0.189 0.000 0.980 931 R CB 0.285 30.777 30.300 0.319 0.000 0.879 931 R HN 0.847 nan 8.270 nan 0.000 0.439 932 W N -1.313 120.088 121.300 0.168 0.000 3.248 932 W HA 0.514 5.264 4.660 0.150 0.000 0.311 932 W C -2.043 174.530 176.519 0.090 0.000 1.258 932 W CA -1.526 55.865 57.345 0.076 0.000 1.191 932 W CB 0.313 29.793 29.460 0.033 0.000 1.389 932 W HN -0.154 nan 8.180 nan 0.000 0.561 933 L N 1.649 123.072 121.223 0.334 0.000 2.370 933 L HA 0.647 5.081 4.340 0.156 0.000 0.266 933 L C -0.918 176.094 176.870 0.236 0.000 1.002 933 L CA -0.472 54.440 54.840 0.120 0.000 0.818 933 L CB 2.280 44.082 42.059 -0.428 0.000 1.325 933 L HN 0.499 nan 8.230 nan 0.000 0.418 934 E N 4.798 125.150 120.200 0.255 0.000 2.199 934 E HA 0.465 4.908 4.350 0.156 0.000 0.265 934 E C -1.396 175.237 176.600 0.055 0.000 0.882 934 E CA -0.645 55.821 56.400 0.110 0.000 0.759 934 E CB 2.201 32.001 29.700 0.166 0.000 1.148 934 E HN 0.559 nan 8.360 nan 0.000 0.412 935 L N 3.130 124.353 121.223 0.000 0.000 2.289 935 L HA 0.372 4.805 4.340 0.156 0.000 0.285 935 L C -0.255 176.750 176.870 0.225 0.000 1.049 935 L CA -0.688 54.222 54.840 0.117 0.000 0.804 935 L CB 0.823 42.991 42.059 0.181 0.000 1.195 935 L HN 0.397 nan 8.230 nan 0.000 0.428 936 D N 2.567 123.091 120.400 0.207 0.000 2.198 936 D HA 0.406 5.139 4.640 0.156 0.000 0.247 936 D C -0.344 176.045 176.300 0.148 0.000 1.010 936 D CA -0.507 53.603 54.000 0.183 0.000 0.880 936 D CB 1.762 42.642 40.800 0.135 0.000 1.209 936 D HN 0.313 nan 8.370 nan 0.000 0.451 937 R N 0.798 121.361 120.500 0.105 0.000 2.272 937 R HA 0.555 4.988 4.340 0.156 0.000 0.323 937 R C -0.266 176.043 176.300 0.015 0.000 1.002 937 R CA -0.633 55.474 56.100 0.011 0.000 0.900 937 R CB 1.316 31.570 30.300 -0.076 0.000 1.151 937 R HN 0.555 nan 8.270 nan 0.000 0.507 938 A N 2.286 125.116 122.820 0.018 0.000 2.610 938 A HA -0.185 4.229 4.320 0.156 0.000 0.299 938 A C 1.318 178.923 177.584 0.034 0.000 1.487 938 A CA 0.975 53.024 52.037 0.021 0.000 0.743 938 A CB -1.998 17.004 19.000 0.004 0.000 1.070 938 A HN 1.267 nan 8.150 nan 0.000 0.439 939 G N -2.061 106.770 108.800 0.052 0.000 2.284 939 G HA2 0.118 4.171 3.960 0.156 0.000 0.261 939 G HA3 0.118 4.171 3.960 0.156 0.000 0.261 939 G C 0.911 175.847 174.900 0.059 0.000 0.997 939 G CA 1.265 46.399 45.100 0.057 0.000 0.621 939 G HN 2.592 nan 8.290 nan 0.000 0.534 940 A N 1.563 124.417 122.820 0.057 0.000 2.302 940 A HA 0.682 5.095 4.320 0.156 0.000 0.295 940 A C -1.797 175.847 177.584 0.099 0.000 1.235 940 A CA -1.029 51.045 52.037 0.062 0.000 0.876 940 A CB 0.440 19.469 19.000 0.048 0.000 1.133 940 A HN 0.178 nan 8.150 nan 0.000 0.533 941 P HA 0.010 nan 4.420 nan 0.000 0.264 941 P C -0.069 177.325 177.300 0.157 0.000 1.193 941 P CA 0.256 63.416 63.100 0.099 0.000 0.763 941 P CB 0.432 32.153 31.700 0.036 0.000 0.810 942 W N 6.054 127.337 121.300 -0.028 0.000 3.875 942 W HA 0.364 5.112 4.660 0.146 0.000 0.221 942 W C -1.159 175.327 176.519 -0.055 0.000 0.947 942 W CA 0.430 57.752 57.345 -0.039 0.000 2.039 942 W CB -0.085 29.353 29.460 -0.037 0.000 0.954 942 W HN 0.155 nan 8.180 nan 0.000 0.792 943 L N 2.191 123.004 121.223 -0.683 0.000 2.386 943 L HA 0.552 4.985 4.340 0.156 0.000 0.271 943 L C -0.600 175.995 176.870 -0.459 0.000 0.993 943 L CA -0.923 53.359 54.840 -0.931 0.000 0.819 943 L CB 1.704 42.832 42.059 -1.552 0.000 1.294 943 L HN -0.001 nan 8.230 nan 0.000 0.414 944 R N 4.747 125.024 120.500 -0.372 0.000 2.437 944 R HA 0.735 5.169 4.340 0.156 0.000 0.310 944 R C -1.701 174.467 176.300 -0.220 0.000 0.955 944 R CA -0.278 55.681 56.100 -0.235 0.000 0.851 944 R CB 0.933 31.098 30.300 -0.224 0.000 1.161 944 R HN 0.678 nan 8.270 nan 0.000 0.446 945 I N 3.948 124.430 120.570 -0.147 0.000 2.389 945 I HA 0.293 4.556 4.170 0.156 0.000 0.288 945 I C -0.541 175.589 176.117 0.021 0.000 0.999 945 I CA -0.762 60.467 61.300 -0.119 0.000 1.129 945 I CB 1.923 39.810 38.000 -0.187 0.000 1.288 945 I HN 0.533 nan 8.210 nan 0.000 0.444 946 D N 5.978 126.394 120.400 0.026 0.000 2.177 946 D HA 0.538 5.271 4.640 0.156 0.000 0.247 946 D C -0.447 175.898 176.300 0.075 0.000 1.063 946 D CA -0.174 53.887 54.000 0.102 0.000 0.867 946 D CB 2.566 43.403 40.800 0.062 0.000 1.168 946 D HN 0.550 nan 8.370 nan 0.000 0.445 947 A N 2.593 125.479 122.820 0.111 0.000 2.318 947 A HA 0.393 4.806 4.320 0.156 0.000 0.317 947 A C -0.225 177.414 177.584 0.092 0.000 1.159 947 A CA -0.739 51.351 52.037 0.088 0.000 0.799 947 A CB 1.384 20.441 19.000 0.094 0.000 1.194 947 A HN 0.324 nan 8.150 nan 0.000 0.479 948 E N 2.299 122.541 120.200 0.070 0.000 2.231 948 E HA 0.444 4.888 4.350 0.156 0.000 0.277 948 E C -2.520 174.121 176.600 0.067 0.000 0.999 948 E CA -2.027 54.414 56.400 0.068 0.000 0.827 948 E CB 0.880 30.610 29.700 0.051 0.000 1.101 948 E HN 0.376 nan 8.360 nan 0.000 0.393 949 P HA -0.031 nan 4.420 nan 0.000 0.267 949 P C -0.280 177.053 177.300 0.054 0.000 1.200 949 P CA -0.096 63.045 63.100 0.068 0.000 0.772 949 P CB 0.471 32.215 31.700 0.073 0.000 0.855 950 D N 1.162 121.593 120.400 0.051 0.000 2.398 950 D HA 0.159 4.892 4.640 0.156 0.000 0.264 950 D C 1.197 177.521 176.300 0.040 0.000 1.263 950 D CA -0.375 53.651 54.000 0.042 0.000 1.037 950 D CB -0.349 40.475 40.800 0.041 0.000 1.101 950 D HN 0.239 nan 8.370 nan 0.000 0.551 951 A N -0.645 122.196 122.820 0.034 0.000 2.019 951 A HA 0.085 4.499 4.320 0.156 0.000 0.219 951 A C 2.056 179.660 177.584 0.032 0.000 1.164 951 A CA 2.058 54.114 52.037 0.031 0.000 0.644 951 A CB -1.144 17.872 19.000 0.027 0.000 0.805 951 A HN 0.676 nan 8.150 nan 0.000 0.449 952 A N -2.090 120.751 122.820 0.034 0.000 2.275 952 A HA 0.439 4.852 4.320 0.156 0.000 0.212 952 A C 1.668 179.278 177.584 0.043 0.000 1.201 952 A CA 1.091 53.149 52.037 0.035 0.000 0.843 952 A CB -0.741 18.279 19.000 0.033 0.000 0.873 952 A HN 1.833 nan 8.150 nan 0.000 0.492 953 G N -0.594 108.234 108.800 0.048 0.000 2.157 953 G HA2 -0.235 3.819 3.960 0.156 0.000 0.239 953 G HA3 -0.235 3.819 3.960 0.156 0.000 0.239 953 G C 0.213 175.153 174.900 0.066 0.000 0.982 953 G CA 0.082 45.216 45.100 0.058 0.000 0.650 953 G HN 0.601 nan 8.290 nan 0.000 0.527 954 R N 0.340 120.877 120.500 0.061 0.000 2.390 954 R HA 0.586 5.019 4.340 0.156 0.000 0.291 954 R C 0.586 176.927 176.300 0.069 0.000 1.070 954 R CA -0.274 55.865 56.100 0.066 0.000 1.014 954 R CB 0.705 31.041 30.300 0.060 0.000 1.007 954 R HN 0.286 nan 8.270 nan 0.000 0.466 955 R N 3.013 123.556 120.500 0.073 0.000 2.604 955 R HA 0.382 4.816 4.340 0.156 0.000 0.287 955 R C -2.069 174.273 176.300 0.070 0.000 0.970 955 R CA -1.856 54.288 56.100 0.074 0.000 0.946 955 R CB 1.089 31.434 30.300 0.077 0.000 1.127 955 R HN 0.445 nan 8.270 nan 0.000 0.473 956 P HA 0.228 nan 4.420 nan 0.000 0.277 956 P C -0.462 176.878 177.300 0.066 0.000 1.271 956 P CA -0.348 62.805 63.100 0.088 0.000 0.795 956 P CB 0.894 32.654 31.700 0.100 0.000 1.101 957 G N -1.017 107.834 108.800 0.085 0.000 3.013 957 G HA2 0.748 4.801 3.960 0.156 0.000 0.278 957 G HA3 0.748 4.801 3.960 0.156 0.000 0.278 957 G C -1.608 173.312 174.900 0.033 0.000 1.353 957 G CA -0.867 44.163 45.100 -0.115 0.000 1.043 957 G HN 0.582 nan 8.290 nan 0.000 0.523 958 F N -1.457 118.316 119.950 -0.296 0.000 2.645 958 F HA 0.856 5.474 4.527 0.153 0.000 0.310 958 F C -0.657 175.052 175.800 -0.152 0.000 1.102 958 F CA -1.219 56.706 58.000 -0.125 0.000 0.952 958 F CB 1.842 40.764 39.000 -0.129 0.000 1.326 958 F HN 0.450 nan 8.300 nan 0.000 0.456 959 S N 2.093 117.842 115.700 0.083 0.000 2.548 959 S HA 0.747 5.310 4.470 0.156 0.000 0.286 959 S C -1.896 172.908 174.600 0.340 0.000 1.098 959 S CA -0.596 57.614 58.200 0.016 0.000 0.930 959 S CB 1.925 65.162 63.200 0.062 0.000 1.070 959 S HN 0.825 nan 8.310 nan 0.000 0.480 960 L N 2.729 124.111 121.223 0.266 0.000 2.349 960 L HA 0.900 5.333 4.340 0.156 0.000 0.278 960 L C -0.528 176.491 176.870 0.248 0.000 0.996 960 L CA -0.047 54.975 54.840 0.303 0.000 0.825 960 L CB 0.981 43.212 42.059 0.287 0.000 1.243 960 L HN 0.843 nan 8.230 nan 0.000 0.412 961 A N 4.510 127.517 122.820 0.313 0.000 2.527 961 A HA 0.681 5.095 4.320 0.156 0.000 0.293 961 A C 0.276 178.031 177.584 0.285 0.000 1.117 961 A CA -0.671 51.540 52.037 0.290 0.000 0.723 961 A CB 1.438 20.638 19.000 0.334 0.000 1.313 961 A HN 0.761 nan 8.150 nan 0.000 0.411 962 R N -0.545 120.065 120.500 0.183 0.000 2.297 962 R HA 0.165 4.598 4.340 0.156 0.000 0.197 962 R C -0.579 175.592 176.300 -0.214 0.000 0.943 962 R CA 0.676 56.754 56.100 -0.037 0.000 1.038 962 R CB -0.015 30.179 30.300 -0.178 0.000 0.957 962 R HN 0.806 nan 8.270 nan 0.000 0.484 963 H N -2.000 117.296 119.070 0.375 0.000 3.008 963 H HA 0.154 4.803 4.556 0.156 0.000 0.354 963 H C -0.343 175.017 175.328 0.053 0.000 1.252 963 H CA -0.810 55.394 56.048 0.260 0.000 1.117 963 H CB 1.411 31.265 29.762 0.153 0.000 1.857 963 H HN -0.072 nan 8.280 nan 0.000 0.547 964 T N -1.327 113.181 114.554 -0.077 0.000 2.868 964 T HA 0.366 4.809 4.350 0.156 0.000 0.292 964 T C 1.489 176.250 174.700 0.102 0.000 1.028 964 T CA -0.209 61.805 62.100 -0.144 0.000 1.059 964 T CB 1.215 69.957 68.868 -0.209 0.000 0.991 964 T HN 0.734 nan 8.240 nan 0.000 0.531 965 A N 0.943 123.857 122.820 0.155 0.000 1.978 965 A HA -0.140 4.274 4.320 0.156 0.000 0.220 965 A C 2.380 180.173 177.584 0.349 0.000 1.170 965 A CA 1.783 53.903 52.037 0.137 0.000 0.636 965 A CB -1.046 17.968 19.000 0.025 0.000 0.810 965 A HN 0.870 nan 8.150 nan 0.000 0.448 966 Q N -0.216 119.765 119.800 0.302 0.000 2.084 966 Q HA -0.148 4.286 4.340 0.156 0.000 0.202 966 Q C 1.959 178.037 176.000 0.130 0.000 0.978 966 Q CA 1.955 57.862 55.803 0.174 0.000 0.844 966 Q CB -0.239 28.476 28.738 -0.040 0.000 0.898 966 Q HN 0.810 nan 8.270 nan 0.000 0.426 967 E N -0.020 120.238 120.200 0.096 0.000 2.047 967 E HA -0.127 4.316 4.350 0.156 0.000 0.191 967 E C 1.962 178.585 176.600 0.039 0.000 0.987 967 E CA 0.873 57.310 56.400 0.062 0.000 0.799 967 E CB -0.117 29.638 29.700 0.091 0.000 0.752 967 E HN 0.320 nan 8.360 nan 0.000 0.449 968 I N 1.365 121.976 120.570 0.068 0.000 2.163 968 I HA -0.313 3.951 4.170 0.156 0.000 0.243 968 I C 2.569 178.724 176.117 0.063 0.000 1.085 968 I CA 1.109 62.434 61.300 0.042 0.000 1.347 968 I CB -0.362 37.677 38.000 0.065 0.000 1.044 968 I HN 0.097 nan 8.210 nan 0.000 0.408 969 A N 0.619 123.529 122.820 0.149 0.000 1.940 969 A HA -0.176 4.237 4.320 0.156 0.000 0.219 969 A C 2.454 180.117 177.584 0.132 0.000 1.176 969 A CA 1.913 54.067 52.037 0.196 0.000 0.631 969 A CB -0.750 18.533 19.000 0.471 0.000 0.814 969 A HN 0.469 nan 8.150 nan 0.000 0.446 970 A N -0.795 122.081 122.820 0.093 0.000 2.119 970 A HA 0.508 4.921 4.320 0.156 0.000 0.217 970 A C 1.354 178.947 177.584 0.015 0.000 1.153 970 A CA 0.907 52.973 52.037 0.050 0.000 0.692 970 A CB -0.635 18.382 19.000 0.028 0.000 0.799 970 A HN 1.010 nan 8.150 nan 0.000 0.458 971 A N -0.604 122.212 122.820 -0.007 0.000 2.301 971 A HA 0.536 4.949 4.320 0.156 0.000 0.298 971 A C 1.301 178.863 177.584 -0.038 0.000 1.185 971 A CA 0.072 52.082 52.037 -0.045 0.000 0.830 971 A CB 0.572 19.518 19.000 -0.090 0.000 1.112 971 A HN 0.528 nan 8.150 nan 0.000 0.508 972 G N 0.632 109.406 108.800 -0.044 0.000 2.494 972 G HA2 0.296 4.349 3.960 0.156 0.000 0.216 972 G HA3 0.296 4.349 3.960 0.156 0.000 0.216 972 G C 0.359 175.086 174.900 -0.289 0.000 1.140 972 G CA 0.611 45.662 45.100 -0.083 0.000 0.801 972 G HN 0.812 nan 8.290 nan 0.000 0.536 973 H N -1.870 117.121 119.070 -0.132 0.000 2.895 973 H HA 0.364 5.013 4.556 0.155 0.000 0.373 973 H C -1.905 173.296 175.328 -0.212 0.000 1.174 973 H CA -1.650 54.302 56.048 -0.160 0.000 1.144 973 H CB 2.104 31.613 29.762 -0.421 0.000 1.793 973 H HN -0.226 nan 8.280 nan 0.000 0.551 974 P HA -0.252 nan 4.420 nan 0.000 0.216 974 P C 1.287 178.573 177.300 -0.023 0.000 1.154 974 P CA 1.731 64.853 63.100 0.036 0.000 0.865 974 P CB 0.057 31.832 31.700 0.124 0.000 0.789 975 H N -0.640 118.423 119.070 -0.012 0.000 2.545 975 H HA 0.072 4.722 4.556 0.156 0.000 0.282 975 H C 0.861 176.136 175.328 -0.088 0.000 1.020 975 H CA 0.800 56.808 56.048 -0.067 0.000 1.243 975 H CB -0.557 29.123 29.762 -0.137 0.000 1.377 975 H HN 0.255 nan 8.280 nan 0.000 0.581 976 E N 0.940 120.867 120.200 -0.454 0.000 2.479 976 E HA 0.199 4.642 4.350 0.156 0.000 0.193 976 E C 0.145 176.647 176.600 -0.163 0.000 1.049 976 E CA -0.303 55.918 56.400 -0.299 0.000 0.870 976 E CB 0.533 30.032 29.700 -0.335 0.000 0.944 976 E HN 0.377 nan 8.360 nan 0.000 0.492 977 L N 3.150 124.276 121.223 -0.163 0.000 2.397 977 L HA 0.207 4.640 4.340 0.156 0.000 0.271 977 L C -1.705 175.116 176.870 -0.081 0.000 1.148 977 L CA -1.840 52.869 54.840 -0.219 0.000 0.825 977 L CB 0.135 41.932 42.059 -0.438 0.000 1.117 977 L HN -0.055 nan 8.230 nan 0.000 0.456 978 P HA 0.100 nan 4.420 nan 0.000 0.274 978 P C -0.693 176.734 177.300 0.212 0.000 1.256 978 P CA -0.535 62.621 63.100 0.094 0.000 0.795 978 P CB 0.318 32.081 31.700 0.105 0.000 1.038 979 T N 2.527 117.166 114.554 0.141 0.000 2.867 979 T HA 0.156 4.599 4.350 0.156 0.000 0.297 979 T C -1.993 172.781 174.700 0.124 0.000 0.989 979 T CA -0.349 61.826 62.100 0.125 0.000 1.159 979 T CB -1.024 67.880 68.868 0.060 0.000 0.928 979 T HN 0.356 nan 8.240 nan 0.000 0.538 980 P HA 0.112 nan 4.420 nan 0.000 0.266 980 P C 0.457 177.724 177.300 -0.054 0.000 1.195 980 P CA -0.179 62.889 63.100 -0.054 0.000 0.768 980 P CB 0.559 32.166 31.700 -0.156 0.000 0.838 981 S N 0.403 116.066 115.700 -0.061 0.000 2.520 981 S HA 0.131 4.694 4.470 0.156 0.000 0.219 981 S C 0.530 174.827 174.600 -0.506 0.000 1.028 981 S CA 0.093 58.166 58.200 -0.211 0.000 0.921 981 S CB -0.116 63.005 63.200 -0.130 0.000 0.844 981 S HN 0.459 nan 8.310 nan 0.000 0.495 982 H N 0.200 119.180 119.070 -0.150 0.000 2.977 982 H HA 0.617 5.274 4.556 0.169 0.000 0.350 982 H C -1.118 173.969 175.328 -0.402 0.000 1.238 982 H CA -0.664 55.163 56.048 -0.370 0.000 1.124 982 H CB 1.704 31.022 29.762 -0.741 0.000 1.866 982 H HN 0.098 nan 8.280 nan 0.000 0.550 983 S N 0.372 115.920 115.700 -0.253 0.000 2.549 983 S HA 0.512 5.075 4.470 0.156 0.000 0.297 983 S C -1.124 173.263 174.600 -0.356 0.000 1.115 983 S CA -0.559 57.534 58.200 -0.179 0.000 1.059 983 S CB 0.669 63.838 63.200 -0.051 0.000 1.046 983 S HN 0.301 nan 8.310 nan 0.000 0.506 984 Y N 1.352 121.726 120.300 0.124 0.000 2.376 984 Y HA 0.557 5.194 4.550 0.144 0.000 0.340 984 Y C -0.420 175.561 175.900 0.135 0.000 0.965 984 Y CA -0.939 57.212 58.100 0.084 0.000 1.078 984 Y CB 1.266 39.762 38.460 0.059 0.000 1.193 984 Y HN 0.453 nan 8.280 nan 0.000 0.452 985 L N 4.467 125.841 121.223 0.251 0.000 2.287 985 L HA 0.531 4.964 4.340 0.156 0.000 0.287 985 L C -1.787 175.229 176.870 0.243 0.000 1.022 985 L CA -0.733 54.286 54.840 0.298 0.000 0.814 985 L CB 0.123 42.331 42.059 0.248 0.000 1.217 985 L HN 0.467 nan 8.230 nan 0.000 0.420 986 Y N 4.266 124.751 120.300 0.308 0.000 2.328 986 Y HA 0.531 5.185 4.550 0.173 0.000 0.337 986 Y C -0.072 175.985 175.900 0.262 0.000 1.008 986 Y CA -0.591 57.651 58.100 0.236 0.000 1.129 986 Y CB 1.721 40.264 38.460 0.138 0.000 1.185 986 Y HN 0.291 nan 8.280 nan 0.000 0.476 987 V N 4.599 124.740 119.914 0.380 0.000 2.328 987 V HA 0.250 4.463 4.120 0.156 0.000 0.278 987 V C -0.664 175.562 176.094 0.220 0.000 1.021 987 V CA -0.801 61.687 62.300 0.312 0.000 0.838 987 V CB 0.933 32.956 31.823 0.333 0.000 0.999 987 V HN 0.654 nan 8.190 nan 0.000 0.447 988 D N 3.700 124.223 120.400 0.205 0.000 2.303 988 D HA 0.487 5.221 4.640 0.156 0.000 0.236 988 D C 0.866 177.234 176.300 0.114 0.000 1.068 988 D CA -0.189 53.890 54.000 0.132 0.000 0.830 988 D CB 2.329 43.189 40.800 0.099 0.000 1.109 988 D HN 0.514 nan 8.370 nan 0.000 0.496 989 A N 2.153 125.014 122.820 0.068 0.000 1.969 989 A HA 0.289 4.702 4.320 0.156 0.000 0.218 989 A C 0.867 178.486 177.584 0.059 0.000 1.169 989 A CA 1.337 53.412 52.037 0.063 0.000 0.635 989 A CB 0.170 19.196 19.000 0.044 0.000 0.810 989 A HN 0.584 nan 8.150 nan 0.000 0.445 990 A N -1.252 121.587 122.820 0.031 0.000 2.547 990 A HA 0.639 5.053 4.320 0.156 0.000 0.297 990 A C -1.131 176.416 177.584 -0.062 0.000 1.056 990 A CA -0.585 51.461 52.037 0.015 0.000 0.688 990 A CB 1.099 20.129 19.000 0.050 0.000 1.282 990 A HN 0.158 nan 8.150 nan 0.000 0.400 991 Q N 0.799 120.539 119.800 -0.100 0.000 2.365 991 Q HA 0.303 4.736 4.340 0.156 0.000 0.269 991 Q C -1.187 174.858 176.000 0.075 0.000 1.061 991 Q CA -0.721 55.012 55.803 -0.116 0.000 0.816 991 Q CB 2.242 30.764 28.738 -0.359 0.000 1.325 991 Q HN 0.908 nan 8.270 nan 0.000 0.446 992 H N 0.375 119.448 119.070 0.004 0.000 2.790 992 H HA 0.254 4.903 4.556 0.155 0.000 0.358 992 H C 0.467 175.859 175.328 0.107 0.000 1.103 992 H CA 0.928 57.025 56.048 0.081 0.000 1.426 992 H CB 0.717 30.548 29.762 0.115 0.000 1.424 992 H HN 0.773 nan 8.280 nan 0.000 0.599 993 G N 2.902 111.535 108.800 -0.277 0.000 2.712 993 G HA2 0.113 4.167 3.960 0.156 0.000 0.258 993 G HA3 0.113 4.167 3.960 0.156 0.000 0.258 993 G C 0.709 175.389 174.900 -0.368 0.000 1.241 993 G CA -0.066 44.898 45.100 -0.227 0.000 0.923 993 G HN 0.674 nan 8.290 nan 0.000 0.548 994 L N 0.108 121.195 121.223 -0.226 0.000 2.362 994 L HA 0.290 4.723 4.340 0.156 0.000 0.204 994 L C 2.114 178.896 176.870 -0.146 0.000 1.060 994 L CA 0.667 55.366 54.840 -0.235 0.000 0.827 994 L CB -1.025 40.886 42.059 -0.247 0.000 1.027 994 L HN 0.956 nan 8.230 nan 0.000 0.474 995 G N 1.222 109.982 108.800 -0.067 0.000 2.581 995 G HA2 -0.356 3.697 3.960 0.156 0.000 0.291 995 G HA3 -0.356 3.697 3.960 0.156 0.000 0.291 995 G C 0.308 175.190 174.900 -0.029 0.000 1.277 995 G CA 0.386 45.489 45.100 0.005 0.000 0.959 995 G HN 0.589 nan 8.290 nan 0.000 0.554 996 S N -2.114 113.561 115.700 -0.042 0.000 2.865 996 S HA 0.371 4.934 4.470 0.156 0.000 0.240 996 S C 0.860 175.383 174.600 -0.129 0.000 0.795 996 S CA 0.846 59.011 58.200 -0.059 0.000 1.073 996 S CB 0.626 63.825 63.200 -0.002 0.000 1.393 996 S HN 0.884 nan 8.310 nan 0.000 0.491 997 R N 1.158 121.582 120.500 -0.127 0.000 2.285 997 R HA 0.134 4.567 4.340 0.156 0.000 0.213 997 R C 2.091 178.319 176.300 -0.120 0.000 1.068 997 R CA 1.084 57.099 56.100 -0.141 0.000 1.004 997 R CB -0.459 29.780 30.300 -0.101 0.000 0.873 997 R HN 0.617 nan 8.270 nan 0.000 0.467 998 A N -0.193 122.565 122.820 -0.104 0.000 1.978 998 A HA -0.165 4.249 4.320 0.156 0.000 0.220 998 A C 1.088 178.565 177.584 -0.178 0.000 1.170 998 A CA 1.404 53.411 52.037 -0.049 0.000 0.636 998 A CB -0.195 18.787 19.000 -0.030 0.000 0.810 998 A HN 0.450 nan 8.150 nan 0.000 0.448 999 C N -1.646 117.398 119.300 -0.427 0.000 3.277 999 C HA 0.586 5.139 4.460 0.156 0.000 0.352 999 C C 0.101 174.676 174.990 -0.692 0.000 0.998 999 C CA 0.319 58.920 59.018 -0.696 0.000 1.303 999 C CB -0.463 26.470 27.740 -1.345 0.000 1.698 999 C HN 1.652 nan 8.230 nan 0.000 0.574 1000 G N 5.183 113.670 108.800 -0.522 0.000 2.357 1000 G HA2 0.255 4.309 3.960 0.156 0.000 0.289 1000 G HA3 0.255 4.309 3.960 0.156 0.000 0.289 1000 G C -3.440 170.726 174.900 -1.224 0.000 1.302 1000 G CA -0.710 43.902 45.100 -0.814 0.000 0.936 1000 G HN 0.330 nan 8.290 nan 0.000 0.513 1001 P HA 0.215 nan 4.420 nan 0.000 0.265 1001 P C -0.160 176.994 177.300 -0.243 0.000 1.187 1001 P CA 0.157 62.914 63.100 -0.572 0.000 0.766 1001 P CB 0.488 32.173 31.700 -0.025 0.000 0.820 1002 D N 1.521 121.770 120.400 -0.253 0.000 2.354 1002 D HA -0.020 4.714 4.640 0.156 0.000 0.238 1002 D C -0.218 176.201 176.300 0.199 0.000 1.250 1002 D CA -0.062 53.889 54.000 -0.082 0.000 0.911 1002 D CB 0.455 41.131 40.800 -0.206 0.000 1.163 1002 D HN -0.031 nan 8.370 nan 0.000 0.456 1003 V N 3.138 123.168 119.914 0.193 0.000 2.644 1003 V HA -0.147 4.067 4.120 0.156 0.000 0.305 1003 V C 0.664 177.030 176.094 0.453 0.000 1.053 1003 V CA -0.046 62.406 62.300 0.253 0.000 1.186 1003 V CB 0.002 31.875 31.823 0.083 0.000 0.895 1003 V HN 0.450 nan 8.190 nan 0.000 0.490 1004 W N 7.435 128.899 121.300 0.274 0.000 2.223 1004 W HA 0.100 4.853 4.660 0.155 0.000 0.334 1004 W C -1.694 174.877 176.519 0.087 0.000 1.334 1004 W CA -1.727 55.717 57.345 0.164 0.000 1.246 1004 W CB 1.095 30.667 29.460 0.187 0.000 1.184 1004 W HN 0.564 nan 8.180 nan 0.000 0.563 1005 P HA -0.230 nan 4.420 nan 0.000 0.216 1005 P C 0.767 177.879 177.300 -0.313 0.000 1.150 1005 P CA 2.147 65.008 63.100 -0.398 0.000 0.843 1005 P CB 0.192 31.553 31.700 -0.566 0.000 0.787 1006 D N -1.881 118.238 120.400 -0.469 0.000 2.315 1006 D HA -0.145 4.588 4.640 0.156 0.000 0.211 1006 D C 0.814 176.735 176.300 -0.632 0.000 0.977 1006 D CA 1.125 54.769 54.000 -0.593 0.000 0.894 1006 D CB -0.640 39.666 40.800 -0.822 0.000 0.910 1006 D HN 0.353 nan 8.370 nan 0.000 0.490 1007 F N -0.588 119.430 119.950 0.114 0.000 2.724 1007 F HA 0.436 5.056 4.527 0.154 0.000 0.310 1007 F C 0.687 176.544 175.800 0.096 0.000 1.107 1007 F CA -0.677 57.386 58.000 0.105 0.000 1.218 1007 F CB 0.504 39.575 39.000 0.119 0.000 1.042 1007 F HN -0.195 nan 8.300 nan 0.000 0.540 1008 A N 1.457 124.407 122.820 0.217 0.000 2.301 1008 A HA 0.562 4.975 4.320 0.156 0.000 0.298 1008 A C -0.777 176.976 177.584 0.282 0.000 1.185 1008 A CA -0.449 51.792 52.037 0.340 0.000 0.830 1008 A CB 0.578 19.754 19.000 0.293 0.000 1.112 1008 A HN 0.235 nan 8.150 nan 0.000 0.508 1009 L N 3.648 125.122 121.223 0.418 0.000 2.278 1009 L HA 0.415 4.849 4.340 0.156 0.000 0.287 1009 L C 0.084 176.958 176.870 0.007 0.000 1.072 1009 L CA 0.291 55.234 54.840 0.171 0.000 0.819 1009 L CB 0.128 42.304 42.059 0.194 0.000 1.176 1009 L HN 0.664 nan 8.230 nan 0.000 0.435 1010 R N 4.892 125.344 120.500 -0.080 0.000 2.787 1010 R HA 0.552 4.986 4.340 0.156 0.000 0.271 1010 R C -2.465 173.572 176.300 -0.439 0.000 0.993 1010 R CA -2.301 53.657 56.100 -0.237 0.000 0.993 1010 R CB 0.933 31.134 30.300 -0.165 0.000 1.155 1010 R HN 0.403 nan 8.270 nan 0.000 0.486 1011 P HA -0.045 nan 4.420 nan 0.000 0.263 1011 P C -0.677 176.281 177.300 -0.569 0.000 1.175 1011 P CA 0.623 62.930 63.100 -1.322 0.000 0.761 1011 P CB 0.382 31.293 31.700 -1.316 0.000 0.794 1012 E N 1.212 121.192 120.200 -0.366 0.000 2.423 1012 E HA 0.711 5.154 4.350 0.156 0.000 0.280 1012 E C -1.496 175.102 176.600 -0.003 0.000 1.030 1012 E CA -1.462 54.865 56.400 -0.122 0.000 0.812 1012 E CB 1.207 30.866 29.700 -0.069 0.000 1.313 1012 E HN 0.248 nan 8.360 nan 0.000 0.456 1013 A N 1.624 124.456 122.820 0.019 0.000 2.354 1013 A HA 0.632 5.045 4.320 0.156 0.000 0.269 1013 A C -0.407 177.204 177.584 0.044 0.000 1.109 1013 A CA -0.524 51.544 52.037 0.051 0.000 0.800 1013 A CB 0.372 19.399 19.000 0.047 0.000 1.045 1013 A HN 0.445 nan 8.150 nan 0.000 0.489 1014 R N 0.500 121.029 120.500 0.048 0.000 2.808 1014 R HA 0.707 5.140 4.340 0.156 0.000 0.272 1014 R C -1.229 175.088 176.300 0.028 0.000 0.995 1014 R CA -0.510 55.613 56.100 0.038 0.000 0.917 1014 R CB 1.795 32.120 30.300 0.041 0.000 1.217 1014 R HN 0.694 nan 8.270 nan 0.000 0.471 1015 T N 1.835 116.405 114.554 0.027 0.000 2.848 1015 T HA 0.560 5.003 4.350 0.156 0.000 0.285 1015 T C -0.285 174.428 174.700 0.023 0.000 0.995 1015 T CA -0.572 61.540 62.100 0.020 0.000 0.970 1015 T CB 1.428 70.308 68.868 0.021 0.000 0.976 1015 T HN 0.188 nan 8.240 nan 0.000 0.441 1016 L N 3.167 124.398 121.223 0.014 0.000 2.307 1016 L HA 0.565 4.998 4.340 0.156 0.000 0.284 1016 L C -0.008 176.868 176.870 0.011 0.000 1.023 1016 L CA -0.754 54.101 54.840 0.024 0.000 0.810 1016 L CB 1.454 43.533 42.059 0.034 0.000 1.231 1016 L HN 0.407 nan 8.230 nan 0.000 0.423 1017 K N 5.120 125.532 120.400 0.020 0.000 2.521 1017 K HA 0.613 5.026 4.320 0.156 0.000 0.248 1017 K C -1.289 175.318 176.600 0.012 0.000 0.978 1017 K CA -0.181 56.111 56.287 0.009 0.000 0.947 1017 K CB 1.252 33.764 32.500 0.020 0.000 1.165 1017 K HN 0.407 nan 8.250 nan 0.000 0.445 1018 L N 2.375 123.591 121.223 -0.011 0.000 2.333 1018 L HA 0.622 5.056 4.340 0.156 0.000 0.269 1018 L C -0.176 176.675 176.870 -0.031 0.000 1.010 1018 L CA -1.145 53.686 54.840 -0.015 0.000 0.818 1018 L CB 1.935 43.980 42.059 -0.023 0.000 1.306 1018 L HN 0.365 nan 8.230 nan 0.000 0.430 1019 R N 2.629 123.112 120.500 -0.028 0.000 2.513 1019 R HA 0.663 5.097 4.340 0.156 0.000 0.301 1019 R C -1.333 174.930 176.300 -0.062 0.000 0.968 1019 R CA -0.612 55.470 56.100 -0.030 0.000 0.872 1019 R CB 2.416 32.707 30.300 -0.015 0.000 1.177 1019 R HN 0.504 nan 8.270 nan 0.000 0.444 1020 I N 2.140 122.673 120.570 -0.061 0.000 2.406 1020 I HA 0.333 4.596 4.170 0.156 0.000 0.290 1020 I C -0.077 175.976 176.117 -0.107 0.000 0.999 1020 I CA -0.358 60.871 61.300 -0.117 0.000 1.124 1020 I CB 1.995 39.928 38.000 -0.113 0.000 1.289 1020 I HN 0.672 nan 8.210 nan 0.000 0.441 1021 S N 5.613 121.212 115.700 -0.168 0.000 2.618 1021 S HA 0.702 5.265 4.470 0.156 0.000 0.277 1021 S C -3.073 171.392 174.600 -0.225 0.000 1.138 1021 S CA -1.740 56.368 58.200 -0.154 0.000 0.844 1021 S CB 2.034 65.159 63.200 -0.126 0.000 1.127 1021 S HN 0.170 nan 8.310 nan 0.000 0.474 1022 P HA 0.419 nan 4.420 nan 0.000 0.271 1022 P C -0.218 176.972 177.300 -0.182 0.000 1.216 1022 P CA -0.081 62.898 63.100 -0.203 0.000 0.771 1022 P CB 0.338 31.975 31.700 -0.105 0.000 0.864 1023 A N 0.000 122.703 122.820 -0.195 0.000 2.254 1023 A HA 0.000 4.413 4.320 0.156 0.000 0.244 1023 A CA 0.000 51.943 52.037 -0.157 0.000 0.836 1023 A CB 0.000 18.923 19.000 -0.128 0.000 0.831 1023 A HN 0.000 nan 8.150 nan 0.000 0.486