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 3eq9_1_A DATA FIRST_RESID 3 DATA SEQUENCE SFQYPDVYRD ETAIQDYHGH KVCDPYAWLE DPDSEQTKAF VEAQNKITVP DATA SEQUENCE FLEQCPIRGL YKERMTELYD YPKYSCHFKK GKRYFYFYNT GLQNQRVLYV DATA SEQUENCE QDSLEGEARV FLDPNILSDD GTVALRGYAF SEDGEYFAYG LSASGSDWVT DATA SEQUENCE IKFMKVDGAK ELPDVLERVK FSCMAWTHDG KGMFYNAYPQ QDGKSDGTET DATA SEQUENCE STNLHQKLYY HVLGTDQSED ILCAEFPDEP KWMGGAELSD DGRYVLLSIR DATA SEQUENCE EGCDPVNRLW YCDLQQESNG ITGILKWVKL IDNFEGEYDY VTNEGTVFTF DATA SEQUENCE KTNRHSPNYR LINIDFTDPE ESKWKVLVPE HEKDVLEWVA CVRSNFLVLC DATA SEQUENCE YLHDVKNTLQ LHDLATGALL KIFPLEVGSV VGYSGQKKDT EIFYQFTSFL DATA SEQUENCE SPGIIYHCDL TKEELEPRVF REVTVKGIDA SDYQTVQIFY PSKDGTKIPM DATA SEQUENCE FIVHKKGIKL DGSHPAFLYG YGGFNISITP NYSVSRLIFV RHMGGVLAVA DATA SEQUENCE NIRGGGEYGE TWHKGGILAN KQNCFDDFQC AAEYLIKEGY TSPKRLTING DATA SEQUENCE GSNGGLLVAT CANQRPDLFG CVIAQVGVMD MLKFHKYTIG HAWTTDYGCS DATA SEQUENCE DSKQHFEWLI KYSPLHNVKL PEADDIQYPS MLLLTADHDD RVVPLHSLKF DATA SEQUENCE IATLQYIVGR SRKQNNPLLI HVDTKAGHGA GKPTAKVIEE VSDMFAFIAR DATA SEQUENCE CLNIDWIP 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.717 174.600 0.195 0.000 1.055 3 S CA 0.000 58.285 58.200 0.142 0.000 1.107 3 S CB 0.000 63.313 63.200 0.189 0.000 0.593 4 F N 2.182 122.097 119.950 -0.059 0.000 2.588 4 F HA 0.887 5.418 4.527 0.007 0.000 0.310 4 F C -1.084 174.565 175.800 -0.252 0.000 1.082 4 F CA -0.940 56.992 58.000 -0.113 0.000 0.929 4 F CB 1.263 40.210 39.000 -0.089 0.000 1.254 4 F HN 0.260 nan 8.300 nan 0.000 0.455 5 Q N 2.025 121.630 119.800 -0.325 0.000 2.377 5 Q HA 0.526 4.870 4.340 0.007 0.000 0.271 5 Q C -1.930 173.902 176.000 -0.279 0.000 1.077 5 Q CA -0.977 54.553 55.803 -0.456 0.000 0.820 5 Q CB 2.441 31.057 28.738 -0.202 0.000 1.347 5 Q HN 0.827 nan 8.270 nan 0.000 0.444 6 Y N 0.837 121.099 120.300 -0.062 0.000 2.304 6 Y HA 0.353 4.907 4.550 0.007 0.000 0.327 6 Y C -1.782 174.135 175.900 0.029 0.000 1.209 6 Y CA -2.004 56.103 58.100 0.012 0.000 1.299 6 Y CB 0.380 38.837 38.460 -0.004 0.000 1.249 6 Y HN 0.539 nan 8.280 nan 0.000 0.519 7 P HA -0.005 nan 4.420 nan 0.000 0.269 7 P C -0.986 176.433 177.300 0.198 0.000 1.215 7 P CA -0.198 62.994 63.100 0.154 0.000 0.780 7 P CB 0.599 32.358 31.700 0.098 0.000 0.898 8 D N 0.954 121.468 120.400 0.190 0.000 2.312 8 D HA 0.185 4.829 4.640 0.007 0.000 0.252 8 D C -0.558 175.914 176.300 0.287 0.000 1.150 8 D CA 0.231 54.362 54.000 0.218 0.000 0.870 8 D CB 0.963 41.868 40.800 0.174 0.000 1.153 8 D HN -0.030 nan 8.370 nan 0.000 0.457 9 V N 4.464 124.582 119.914 0.340 0.000 2.407 9 V HA 0.033 4.157 4.120 0.007 0.000 0.291 9 V C -0.252 176.140 176.094 0.496 0.000 1.018 9 V CA -0.965 61.617 62.300 0.470 0.000 0.842 9 V CB 1.175 33.252 31.823 0.424 0.000 0.996 9 V HN 0.431 nan 8.190 nan 0.000 0.426 10 Y N 5.881 126.387 120.300 0.343 0.000 2.810 10 Y HA 0.094 4.648 4.550 0.007 0.000 0.332 10 Y C 0.722 176.816 175.900 0.325 0.000 1.243 10 Y CA 0.359 58.571 58.100 0.187 0.000 1.537 10 Y CB 0.306 38.705 38.460 -0.102 0.000 1.265 10 Y HN 0.542 nan 8.280 nan 0.000 0.572 11 R N 4.653 124.779 120.500 -0.623 0.000 2.265 11 R HA 0.119 4.463 4.340 0.007 0.000 0.328 11 R C -1.104 174.658 176.300 -0.897 0.000 0.969 11 R CA -0.777 54.925 56.100 -0.663 0.000 0.832 11 R CB 0.604 30.538 30.300 -0.611 0.000 1.139 11 R HN 0.599 nan 8.270 nan 0.000 0.457 12 D N 3.284 123.379 120.400 -0.509 0.000 2.483 12 D HA -0.004 4.640 4.640 0.007 0.000 0.220 12 D C 0.386 176.556 176.300 -0.217 0.000 1.173 12 D CA 0.016 53.852 54.000 -0.274 0.000 0.964 12 D CB 0.707 41.542 40.800 0.058 0.000 1.046 12 D HN 0.439 nan 8.370 nan 0.000 0.517 13 E N 1.304 121.364 120.200 -0.234 0.000 2.515 13 E HA -0.091 4.263 4.350 0.007 0.000 0.201 13 E C 1.259 177.812 176.600 -0.079 0.000 1.071 13 E CA 0.519 56.825 56.400 -0.157 0.000 0.880 13 E CB -0.106 29.512 29.700 -0.137 0.000 0.828 13 E HN 0.515 nan 8.360 nan 0.000 0.540 14 T N -2.858 111.664 114.554 -0.052 0.000 3.054 14 T HA 0.342 4.696 4.350 0.007 0.000 0.255 14 T C 1.025 175.718 174.700 -0.011 0.000 1.035 14 T CA -0.008 62.080 62.100 -0.020 0.000 0.941 14 T CB 0.351 69.219 68.868 0.001 0.000 1.026 14 T HN 0.057 nan 8.240 nan 0.000 0.533 15 A N 1.728 124.538 122.820 -0.017 0.000 3.091 15 A HA 0.618 4.942 4.320 0.007 0.000 0.264 15 A C -0.085 177.505 177.584 0.009 0.000 1.673 15 A CA -0.563 51.475 52.037 0.003 0.000 1.362 15 A CB -1.107 17.898 19.000 0.009 0.000 1.137 15 A HN 0.610 nan 8.150 nan 0.000 0.617 16 I N 0.638 121.213 120.570 0.007 0.000 2.377 16 I HA 0.391 4.565 4.170 0.007 0.000 0.293 16 I C 0.131 176.251 176.117 0.005 0.000 0.987 16 I CA -0.155 61.157 61.300 0.020 0.000 1.185 16 I CB 1.845 39.850 38.000 0.008 0.000 1.341 16 I HN 0.651 nan 8.210 nan 0.000 0.455 17 Q N 5.221 125.038 119.800 0.028 0.000 2.377 17 Q HA 0.348 4.692 4.340 0.007 0.000 0.271 17 Q C -1.440 174.493 176.000 -0.113 0.000 1.077 17 Q CA -0.746 55.005 55.803 -0.085 0.000 0.820 17 Q CB 2.081 30.739 28.738 -0.132 0.000 1.347 17 Q HN 0.583 nan 8.270 nan 0.000 0.444 18 D N 2.619 122.860 120.400 -0.266 0.000 2.280 18 D HA 0.177 4.821 4.640 0.007 0.000 0.236 18 D C -1.372 174.628 176.300 -0.500 0.000 1.082 18 D CA -0.210 53.648 54.000 -0.238 0.000 0.834 18 D CB 0.582 41.271 40.800 -0.185 0.000 1.100 18 D HN 0.601 nan 8.370 nan 0.000 0.486 19 Y N 3.657 123.721 120.300 -0.392 0.000 2.842 19 Y HA 0.174 4.728 4.550 0.006 0.000 0.334 19 Y C 0.135 175.501 175.900 -0.889 0.000 1.019 19 Y CA -0.653 56.939 58.100 -0.847 0.000 1.258 19 Y CB 0.198 37.974 38.460 -1.140 0.000 1.106 19 Y HN 0.488 nan 8.280 nan 0.000 0.545 20 H N 1.392 120.280 119.070 -0.304 0.000 2.826 20 H HA -0.197 4.363 4.556 0.007 0.000 0.306 20 H C 1.411 176.744 175.328 0.008 0.000 1.235 20 H CA 0.930 56.864 56.048 -0.190 0.000 1.150 20 H CB -1.464 28.129 29.762 -0.281 0.000 1.409 20 H HN 1.034 nan 8.280 nan 0.000 0.420 21 G N -0.858 107.972 108.800 0.051 0.000 2.241 21 G HA2 -0.293 3.671 3.960 0.007 0.000 0.244 21 G HA3 -0.293 3.671 3.960 0.007 0.000 0.244 21 G C -0.046 174.903 174.900 0.081 0.000 0.998 21 G CA 0.502 45.648 45.100 0.077 0.000 0.621 21 G HN 0.718 nan 8.290 nan 0.000 0.519 22 H N 0.493 119.544 119.070 -0.032 0.000 2.487 22 H HA 0.713 5.272 4.556 0.006 0.000 0.333 22 H C 0.143 175.506 175.328 0.058 0.000 1.114 22 H CA -0.125 55.954 56.048 0.052 0.000 1.310 22 H CB 1.305 31.172 29.762 0.175 0.000 1.462 22 H HN 0.176 nan 8.280 nan 0.000 0.516 23 K N 1.793 122.297 120.400 0.174 0.000 2.307 23 K HA 0.433 4.757 4.320 0.007 0.000 0.263 23 K C -1.103 175.606 176.600 0.182 0.000 0.973 23 K CA -0.730 55.640 56.287 0.138 0.000 0.846 23 K CB 1.292 33.830 32.500 0.063 0.000 1.100 23 K HN 0.433 nan 8.250 nan 0.000 0.438 24 V N 1.680 121.733 119.914 0.233 0.000 2.604 24 V HA 0.543 4.667 4.120 0.007 0.000 0.305 24 V C -0.936 175.266 176.094 0.180 0.000 1.043 24 V CA -0.849 61.581 62.300 0.217 0.000 0.888 24 V CB 1.566 33.521 31.823 0.220 0.000 0.995 24 V HN 0.899 nan 8.190 nan 0.000 0.429 25 C N 4.868 124.247 119.300 0.130 0.000 2.307 25 C HA 0.654 5.118 4.460 0.007 0.000 0.340 25 C C -0.183 174.839 174.990 0.053 0.000 1.275 25 C CA -0.077 58.980 59.018 0.064 0.000 1.811 25 C CB 0.182 27.926 27.740 0.006 0.000 2.372 25 C HN 1.037 nan 8.230 nan 0.000 0.531 26 D N 6.418 126.833 120.400 0.026 0.000 2.456 26 D HA 0.319 4.963 4.640 0.007 0.000 0.287 26 D C -1.366 174.858 176.300 -0.127 0.000 1.186 26 D CA -1.681 52.312 54.000 -0.010 0.000 0.916 26 D CB 0.991 41.835 40.800 0.073 0.000 1.029 26 D HN 0.409 nan 8.370 nan 0.000 0.498 27 P HA -0.093 nan 4.420 nan 0.000 0.228 27 P C 0.246 177.188 177.300 -0.597 0.000 1.151 27 P CA 0.756 63.548 63.100 -0.514 0.000 0.770 27 P CB -0.073 31.165 31.700 -0.771 0.000 0.786 28 Y N -1.759 118.399 120.300 -0.235 0.000 2.696 28 Y HA 0.505 5.059 4.550 0.007 0.000 0.260 28 Y C 2.157 177.682 175.900 -0.625 0.000 1.165 28 Y CA -0.376 57.358 58.100 -0.611 0.000 1.189 28 Y CB -0.272 37.809 38.460 -0.632 0.000 1.180 28 Y HN -0.122 nan 8.280 nan 0.000 0.538 29 A N 1.365 124.080 122.820 -0.175 0.000 2.076 29 A HA -0.181 4.143 4.320 0.007 0.000 0.220 29 A C 1.791 179.343 177.584 -0.052 0.000 1.160 29 A CA 1.492 53.480 52.037 -0.082 0.000 0.653 29 A CB -0.927 18.086 19.000 0.022 0.000 0.801 29 A HN 0.856 nan 8.150 nan 0.000 0.455 30 W N -0.860 120.435 121.300 -0.008 0.000 2.525 30 W HA 0.022 4.686 4.660 0.007 0.000 0.259 30 W C 0.769 177.262 176.519 -0.044 0.000 1.253 30 W CA 0.358 57.699 57.345 -0.007 0.000 1.262 30 W CB -0.935 28.541 29.460 0.028 0.000 1.122 30 W HN 0.224 nan 8.180 nan 0.000 0.607 31 L N 1.198 122.111 121.223 -0.517 0.000 2.610 31 L HA -0.013 4.331 4.340 0.007 0.000 0.232 31 L C 1.877 178.588 176.870 -0.265 0.000 1.149 31 L CA 0.833 55.347 54.840 -0.543 0.000 0.872 31 L CB -0.415 41.102 42.059 -0.904 0.000 0.992 31 L HN -0.015 nan 8.230 nan 0.000 0.447 32 E N -0.740 119.359 120.200 -0.168 0.000 2.489 32 E HA -0.071 4.283 4.350 0.007 0.000 0.193 32 E C 0.047 176.590 176.600 -0.095 0.000 1.057 32 E CA 0.016 56.314 56.400 -0.169 0.000 0.866 32 E CB 0.247 29.874 29.700 -0.122 0.000 0.916 32 E HN 0.197 nan 8.360 nan 0.000 0.500 33 D N 0.662 121.053 120.400 -0.016 0.000 2.454 33 D HA 0.069 4.713 4.640 0.007 0.000 0.225 33 D C -1.658 174.653 176.300 0.019 0.000 1.081 33 D CA -2.619 51.394 54.000 0.020 0.000 0.864 33 D CB 1.283 42.125 40.800 0.070 0.000 1.040 33 D HN -0.155 nan 8.370 nan 0.000 0.517 34 P HA -0.079 nan 4.420 nan 0.000 0.218 34 P C 0.407 177.720 177.300 0.021 0.000 1.149 34 P CA 0.825 63.923 63.100 -0.004 0.000 0.817 34 P CB 0.564 32.246 31.700 -0.029 0.000 0.785 35 D N -0.140 120.275 120.400 0.024 0.000 2.323 35 D HA -0.023 4.621 4.640 0.007 0.000 0.209 35 D C 1.059 177.386 176.300 0.044 0.000 0.973 35 D CA 0.476 54.493 54.000 0.029 0.000 0.874 35 D CB -0.163 40.650 40.800 0.021 0.000 0.930 35 D HN 0.272 nan 8.370 nan 0.000 0.521 36 S N 0.861 116.598 115.700 0.063 0.000 2.576 36 S HA 0.021 4.495 4.470 0.007 0.000 0.272 36 S C 1.204 175.851 174.600 0.078 0.000 1.352 36 S CA -0.369 57.874 58.200 0.071 0.000 1.021 36 S CB 1.747 65.008 63.200 0.102 0.000 0.887 36 S HN -0.125 nan 8.310 nan 0.000 0.542 37 E N 1.483 121.715 120.200 0.054 0.000 2.208 37 E HA -0.102 4.252 4.350 0.007 0.000 0.193 37 E C 2.045 178.694 176.600 0.083 0.000 0.988 37 E CA 1.121 57.552 56.400 0.052 0.000 0.828 37 E CB -0.389 29.323 29.700 0.019 0.000 0.763 37 E HN 0.789 nan 8.360 nan 0.000 0.478 38 Q N -0.274 119.576 119.800 0.084 0.000 2.079 38 Q HA -0.049 4.295 4.340 0.007 0.000 0.200 38 Q C 2.211 178.439 176.000 0.381 0.000 0.974 38 Q CA 1.748 57.623 55.803 0.122 0.000 0.840 38 Q CB -0.469 28.205 28.738 -0.106 0.000 0.898 38 Q HN 0.136 nan 8.270 nan 0.000 0.430 39 T N 1.098 115.875 114.554 0.370 0.000 2.746 39 T HA -0.107 4.248 4.350 0.007 0.000 0.267 39 T C 1.508 176.374 174.700 0.277 0.000 1.039 39 T CA 1.114 63.409 62.100 0.325 0.000 1.142 39 T CB -0.068 68.906 68.868 0.176 0.000 0.866 39 T HN 0.193 nan 8.240 nan 0.000 0.444 40 K N 1.578 122.091 120.400 0.188 0.000 2.057 40 K HA 0.024 4.348 4.320 0.007 0.000 0.207 40 K C 2.610 179.301 176.600 0.151 0.000 1.049 40 K CA 1.333 57.703 56.287 0.138 0.000 0.931 40 K CB -0.485 32.070 32.500 0.091 0.000 0.714 40 K HN 0.349 nan 8.250 nan 0.000 0.440 41 A N 1.066 123.990 122.820 0.174 0.000 1.969 41 A HA -0.131 4.193 4.320 0.007 0.000 0.218 41 A C 1.994 179.699 177.584 0.202 0.000 1.169 41 A CA 0.908 53.038 52.037 0.156 0.000 0.635 41 A CB -0.566 18.517 19.000 0.137 0.000 0.810 41 A HN 0.332 nan 8.150 nan 0.000 0.445 42 F N 0.397 120.432 119.950 0.141 0.000 2.128 42 F HA -0.093 4.438 4.527 0.007 0.000 0.295 42 F C 2.155 177.995 175.800 0.068 0.000 1.100 42 F CA 1.815 59.897 58.000 0.136 0.000 1.260 42 F CB -0.224 38.888 39.000 0.186 0.000 1.009 42 F HN 0.014 nan 8.300 nan 0.000 0.476 43 V N 0.750 120.761 119.914 0.161 0.000 2.295 43 V HA -0.298 3.826 4.120 0.007 0.000 0.246 43 V C 2.442 178.503 176.094 -0.057 0.000 1.049 43 V CA 2.320 64.626 62.300 0.010 0.000 1.024 43 V CB -0.757 31.118 31.823 0.087 0.000 0.648 43 V HN 0.436 nan 8.190 nan 0.000 0.447 44 E N 0.043 120.245 120.200 0.004 0.000 2.118 44 E HA -0.247 4.107 4.350 0.007 0.000 0.195 44 E C 2.231 178.816 176.600 -0.025 0.000 0.992 44 E CA 1.452 57.853 56.400 0.002 0.000 0.804 44 E CB -0.142 29.576 29.700 0.030 0.000 0.741 44 E HN 0.575 nan 8.360 nan 0.000 0.458 45 A N 0.976 123.765 122.820 -0.052 0.000 1.873 45 A HA -0.197 4.127 4.320 0.007 0.000 0.215 45 A C 2.130 179.650 177.584 -0.105 0.000 1.186 45 A CA 1.234 53.235 52.037 -0.060 0.000 0.616 45 A CB -0.421 18.549 19.000 -0.049 0.000 0.823 45 A HN 0.230 nan 8.150 nan 0.000 0.442 46 Q N 0.080 119.733 119.800 -0.244 0.000 2.096 46 Q HA -0.161 4.183 4.340 0.007 0.000 0.204 46 Q C 1.656 177.606 176.000 -0.084 0.000 0.982 46 Q CA 1.484 57.152 55.803 -0.224 0.000 0.850 46 Q CB -0.576 27.914 28.738 -0.412 0.000 0.901 46 Q HN 0.619 nan 8.270 nan 0.000 0.422 47 N N 0.892 119.561 118.700 -0.053 0.000 2.381 47 N HA -0.105 4.639 4.740 0.007 0.000 0.182 47 N C 1.467 176.999 175.510 0.037 0.000 1.025 47 N CA 0.674 53.747 53.050 0.038 0.000 0.888 47 N CB -0.089 38.429 38.487 0.052 0.000 0.965 47 N HN 0.248 nan 8.380 nan 0.000 0.438 48 K N 0.838 121.246 120.400 0.013 0.000 2.362 48 K HA -0.013 4.311 4.320 0.007 0.000 0.200 48 K C 1.750 178.368 176.600 0.030 0.000 1.046 48 K CA 0.640 56.941 56.287 0.024 0.000 0.952 48 K CB 0.136 32.649 32.500 0.021 0.000 0.753 48 K HN 0.333 nan 8.250 nan 0.000 0.466 49 I N -4.398 116.186 120.570 0.024 0.000 3.790 49 I HA 0.049 4.223 4.170 0.007 0.000 0.305 49 I C 1.537 177.632 176.117 -0.036 0.000 1.253 49 I CA 0.122 61.434 61.300 0.020 0.000 1.355 49 I CB -0.048 37.998 38.000 0.077 0.000 1.137 49 I HN -0.189 nan 8.210 nan 0.000 0.435 50 T N 2.135 116.673 114.554 -0.026 0.000 2.698 50 T HA -0.038 4.316 4.350 0.007 0.000 0.260 50 T C 2.135 176.839 174.700 0.005 0.000 1.044 50 T CA 1.869 63.947 62.100 -0.037 0.000 1.149 50 T CB -0.243 68.616 68.868 -0.015 0.000 0.864 50 T HN 0.165 nan 8.240 nan 0.000 0.419 51 V N 2.845 122.754 119.914 -0.008 0.000 2.222 51 V HA -0.209 3.915 4.120 0.007 0.000 0.252 51 V C -0.367 175.726 176.094 -0.001 0.000 1.060 51 V CA 2.180 64.457 62.300 -0.039 0.000 1.027 51 V CB -2.014 29.808 31.823 -0.002 0.000 0.644 51 V HN 0.364 nan 8.190 nan 0.000 0.448 52 P HA -0.238 nan 4.420 nan 0.000 0.215 52 P C 1.784 179.100 177.300 0.026 0.000 1.163 52 P CA 1.832 64.944 63.100 0.020 0.000 0.894 52 P CB -0.241 31.479 31.700 0.033 0.000 0.791 53 F N -0.306 119.582 119.950 -0.103 0.000 2.154 53 F HA -0.191 4.340 4.527 0.007 0.000 0.301 53 F C 1.992 177.750 175.800 -0.069 0.000 1.087 53 F CA 1.447 59.375 58.000 -0.121 0.000 1.274 53 F CB -0.625 38.244 39.000 -0.218 0.000 1.009 53 F HN -0.218 nan 8.300 nan 0.000 0.485 54 L N -0.262 121.031 121.223 0.117 0.000 2.131 54 L HA -0.116 4.228 4.340 0.007 0.000 0.206 54 L C 2.144 178.982 176.870 -0.053 0.000 1.087 54 L CA 1.221 56.088 54.840 0.045 0.000 0.767 54 L CB -0.560 41.514 42.059 0.024 0.000 0.917 54 L HN 0.153 nan 8.230 nan 0.000 0.441 55 E N -0.401 119.763 120.200 -0.059 0.000 2.371 55 E HA -0.169 4.185 4.350 0.007 0.000 0.194 55 E C 1.828 178.375 176.600 -0.088 0.000 1.012 55 E CA 0.301 56.662 56.400 -0.065 0.000 0.860 55 E CB -0.009 29.662 29.700 -0.048 0.000 0.811 55 E HN 0.533 nan 8.360 nan 0.000 0.502 56 Q N 0.223 119.948 119.800 -0.124 0.000 2.437 56 Q HA -0.040 4.304 4.340 0.007 0.000 0.210 56 Q C 0.496 176.397 176.000 -0.166 0.000 0.972 56 Q CA 0.215 55.930 55.803 -0.147 0.000 0.903 56 Q CB 0.119 28.739 28.738 -0.196 0.000 0.967 56 Q HN 0.142 nan 8.270 nan 0.000 0.486 57 C N 2.130 121.328 119.300 -0.169 0.000 2.373 57 C HA 0.226 4.690 4.460 0.007 0.000 0.354 57 C C -1.097 173.834 174.990 -0.098 0.000 1.249 57 C CA -2.109 56.826 59.018 -0.139 0.000 1.784 57 C CB 0.464 28.129 27.740 -0.124 0.000 2.408 57 C HN 0.353 nan 8.230 nan 0.000 0.542 58 P HA -0.088 nan 4.420 nan 0.000 0.228 58 P C 1.248 178.465 177.300 -0.138 0.000 1.151 58 P CA 1.335 64.374 63.100 -0.102 0.000 0.770 58 P CB 0.136 31.785 31.700 -0.085 0.000 0.786 59 I N -0.713 119.800 120.570 -0.096 0.000 2.761 59 I HA -0.056 4.118 4.170 0.007 0.000 0.261 59 I C 2.842 178.903 176.117 -0.094 0.000 1.198 59 I CA 0.452 61.687 61.300 -0.109 0.000 1.482 59 I CB -0.234 37.819 38.000 0.089 0.000 1.100 59 I HN -0.195 nan 8.210 nan 0.000 0.445 60 R N 0.515 120.982 120.500 -0.055 0.000 2.091 60 R HA -0.177 4.167 4.340 0.007 0.000 0.238 60 R C 2.153 178.434 176.300 -0.033 0.000 1.136 60 R CA 1.804 57.888 56.100 -0.027 0.000 0.959 60 R CB -0.551 29.725 30.300 -0.041 0.000 0.856 60 R HN 0.454 nan 8.270 nan 0.000 0.437 61 G N 0.252 108.994 108.800 -0.097 0.000 2.430 61 G HA2 -0.140 3.824 3.960 0.007 0.000 0.216 61 G HA3 -0.140 3.824 3.960 0.007 0.000 0.216 61 G C 1.516 176.305 174.900 -0.185 0.000 1.146 61 G CA -0.083 44.953 45.100 -0.106 0.000 0.793 61 G HN 0.173 nan 8.290 nan 0.000 0.537 62 L N -0.920 120.089 121.223 -0.357 0.000 1.994 62 L HA -0.095 4.249 4.340 0.007 0.000 0.208 62 L C 2.518 179.055 176.870 -0.556 0.000 1.071 62 L CA 1.437 55.874 54.840 -0.672 0.000 0.745 62 L CB -0.404 40.838 42.059 -1.362 0.000 0.892 62 L HN 0.306 nan 8.230 nan 0.000 0.431 63 Y N 0.901 120.896 120.300 -0.509 0.000 2.070 63 Y HA -0.404 4.150 4.550 0.007 0.000 0.280 63 Y C 2.800 178.677 175.900 -0.039 0.000 1.148 63 Y CA 2.328 60.369 58.100 -0.097 0.000 1.125 63 Y CB -0.104 38.384 38.460 0.047 0.000 0.975 63 Y HN 0.039 nan 8.280 nan 0.000 0.492 64 K N 0.237 120.758 120.400 0.202 0.000 2.160 64 K HA -0.275 4.049 4.320 0.007 0.000 0.206 64 K C 1.985 178.603 176.600 0.030 0.000 1.047 64 K CA 2.004 58.366 56.287 0.124 0.000 0.930 64 K CB -0.212 32.329 32.500 0.068 0.000 0.720 64 K HN 0.504 nan 8.250 nan 0.000 0.450 65 E N -0.244 119.939 120.200 -0.029 0.000 2.016 65 E HA -0.178 4.177 4.350 0.007 0.000 0.190 65 E C 2.111 178.696 176.600 -0.024 0.000 0.985 65 E CA 0.730 57.107 56.400 -0.037 0.000 0.802 65 E CB -0.021 29.631 29.700 -0.080 0.000 0.762 65 E HN 0.083 nan 8.360 nan 0.000 0.448 66 R N 0.579 121.048 120.500 -0.052 0.000 2.094 66 R HA -0.196 4.148 4.340 0.007 0.000 0.239 66 R C 2.184 178.462 176.300 -0.037 0.000 1.137 66 R CA 1.904 57.982 56.100 -0.037 0.000 0.943 66 R CB -0.793 29.487 30.300 -0.033 0.000 0.850 66 R HN 0.218 nan 8.270 nan 0.000 0.433 67 M N -0.240 119.301 119.600 -0.098 0.000 2.082 67 M HA -0.156 4.328 4.480 0.007 0.000 0.258 67 M C 1.815 178.159 176.300 0.073 0.000 1.069 67 M CA 2.273 57.544 55.300 -0.049 0.000 1.102 67 M CB -0.872 31.716 32.600 -0.020 0.000 1.336 67 M HN 0.208 nan 8.290 nan 0.000 0.404 68 T N 0.561 115.155 114.554 0.066 0.000 2.759 68 T HA -0.161 4.193 4.350 0.007 0.000 0.269 68 T C 1.527 176.293 174.700 0.109 0.000 1.042 68 T CA 1.886 64.043 62.100 0.096 0.000 1.140 68 T CB -0.366 68.536 68.868 0.058 0.000 0.864 68 T HN 0.598 nan 8.240 nan 0.000 0.455 69 E N 0.979 121.231 120.200 0.087 0.000 2.033 69 E HA 0.068 4.422 4.350 0.007 0.000 0.189 69 E C 2.313 178.994 176.600 0.136 0.000 0.979 69 E CA 0.648 57.102 56.400 0.091 0.000 0.802 69 E CB -0.299 29.442 29.700 0.069 0.000 0.763 69 E HN 0.337 nan 8.360 nan 0.000 0.449 70 L N 0.213 121.524 121.223 0.148 0.000 2.083 70 L HA -0.173 4.171 4.340 0.007 0.000 0.209 70 L C 2.451 179.533 176.870 0.353 0.000 1.083 70 L CA 1.094 56.053 54.840 0.199 0.000 0.752 70 L CB -0.383 41.762 42.059 0.144 0.000 0.899 70 L HN 0.206 nan 8.230 nan 0.000 0.433 71 Y N 0.525 120.929 120.300 0.173 0.000 2.583 71 Y HA -0.092 4.462 4.550 0.007 0.000 0.293 71 Y C 1.072 177.000 175.900 0.047 0.000 1.157 71 Y CA 0.161 58.366 58.100 0.174 0.000 1.315 71 Y CB -0.226 38.269 38.460 0.057 0.000 1.021 71 Y HN 0.086 nan 8.280 nan 0.000 0.536 72 D N 1.116 121.583 120.400 0.111 0.000 2.608 72 D HA 0.060 4.704 4.640 0.007 0.000 0.224 72 D C -1.123 175.206 176.300 0.048 0.000 1.123 72 D CA 0.128 54.119 54.000 -0.015 0.000 1.030 72 D CB -1.130 39.695 40.800 0.041 0.000 1.093 72 D HN 0.361 nan 8.370 nan 0.000 0.497 73 Y N -0.787 119.434 120.300 -0.132 0.000 2.609 73 Y HA 0.735 5.289 4.550 0.007 0.000 0.342 73 Y C -2.870 172.948 175.900 -0.137 0.000 1.058 73 Y CA -3.268 54.779 58.100 -0.087 0.000 1.055 73 Y CB 0.457 38.890 38.460 -0.044 0.000 1.292 73 Y HN -0.109 nan 8.280 nan 0.000 0.476 74 P HA 0.197 nan 4.420 nan 0.000 0.271 74 P C -1.432 175.844 177.300 -0.040 0.000 1.233 74 P CA -0.256 62.805 63.100 -0.064 0.000 0.764 74 P CB 0.584 32.384 31.700 0.168 0.000 0.825 75 K N 3.921 124.142 120.400 -0.298 0.000 2.404 75 K HA 0.353 4.677 4.320 0.007 0.000 0.257 75 K C -0.641 175.948 176.600 -0.018 0.000 1.026 75 K CA -0.458 55.767 56.287 -0.105 0.000 0.951 75 K CB 0.665 33.024 32.500 -0.236 0.000 1.203 75 K HN 0.383 nan 8.250 nan 0.000 0.446 76 Y N 0.232 120.658 120.300 0.209 0.000 2.453 76 Y HA 0.305 4.859 4.550 0.007 0.000 0.326 76 Y C 0.972 176.991 175.900 0.198 0.000 1.186 76 Y CA -0.625 57.624 58.100 0.249 0.000 1.200 76 Y CB 1.792 40.333 38.460 0.134 0.000 1.247 76 Y HN 0.521 nan 8.280 nan 0.000 0.482 77 S N 0.024 115.974 115.700 0.418 0.000 2.739 77 S HA 0.526 5.000 4.470 0.007 0.000 0.306 77 S C -0.554 174.165 174.600 0.197 0.000 1.115 77 S CA -0.807 57.595 58.200 0.336 0.000 0.985 77 S CB 0.969 64.458 63.200 0.483 0.000 1.133 77 S HN 0.754 nan 8.310 nan 0.000 0.541 78 C N 1.790 121.198 119.300 0.181 0.000 2.676 78 C HA 0.345 4.809 4.460 0.007 0.000 0.416 78 C C 0.746 175.697 174.990 -0.065 0.000 1.299 78 C CA 0.100 59.135 59.018 0.029 0.000 2.048 78 C CB -1.270 26.552 27.740 0.137 0.000 2.713 78 C HN 0.954 nan 8.230 nan 0.000 0.624 79 H N 1.099 119.802 119.070 -0.613 0.000 2.551 79 H HA 0.529 5.090 4.556 0.007 0.000 0.358 79 H C -0.318 174.859 175.328 -0.252 0.000 1.151 79 H CA 0.665 56.344 56.048 -0.615 0.000 1.374 79 H CB 0.550 29.542 29.762 -1.284 0.000 1.473 79 H HN 0.568 nan 8.280 nan 0.000 0.574 80 F N -0.224 119.767 119.950 0.069 0.000 2.604 80 F HA 0.376 4.907 4.527 0.007 0.000 0.316 80 F C -1.205 174.651 175.800 0.093 0.000 1.136 80 F CA -1.329 56.723 58.000 0.087 0.000 0.989 80 F CB 1.005 40.042 39.000 0.062 0.000 1.258 80 F HN 0.288 nan 8.300 nan 0.000 0.451 81 K N 3.516 124.008 120.400 0.152 0.000 2.234 81 K HA 0.450 4.774 4.320 0.007 0.000 0.277 81 K C -1.148 175.421 176.600 -0.051 0.000 1.038 81 K CA -0.624 55.563 56.287 -0.167 0.000 0.888 81 K CB 0.861 33.099 32.500 -0.436 0.000 1.091 81 K HN 0.593 nan 8.250 nan 0.000 0.467 82 K N 3.209 123.552 120.400 -0.096 0.000 2.450 82 K HA 0.316 4.640 4.320 0.007 0.000 0.257 82 K C 0.244 176.774 176.600 -0.117 0.000 0.953 82 K CA 0.143 56.329 56.287 -0.168 0.000 0.844 82 K CB 1.265 33.370 32.500 -0.659 0.000 1.103 82 K HN 0.978 nan 8.250 nan 0.000 0.429 83 G N 4.025 112.771 108.800 -0.090 0.000 2.561 83 G HA2 -0.378 3.586 3.960 0.007 0.000 0.289 83 G HA3 -0.378 3.586 3.960 0.007 0.000 0.289 83 G C 0.218 175.044 174.900 -0.123 0.000 1.169 83 G CA 0.645 45.700 45.100 -0.074 0.000 0.980 83 G HN 0.634 nan 8.290 nan 0.000 0.550 84 K N 0.661 120.984 120.400 -0.129 0.000 2.455 84 K HA 0.470 4.794 4.320 0.007 0.000 0.206 84 K C 0.780 177.238 176.600 -0.237 0.000 1.027 84 K CA -0.203 55.987 56.287 -0.161 0.000 1.113 84 K CB 0.679 33.121 32.500 -0.096 0.000 0.850 84 K HN 0.525 nan 8.250 nan 0.000 0.503 85 R N 0.160 120.469 120.500 -0.318 0.000 2.892 85 R HA 0.422 4.766 4.340 0.007 0.000 0.265 85 R C -1.354 174.556 176.300 -0.652 0.000 1.025 85 R CA -0.801 55.019 56.100 -0.466 0.000 0.982 85 R CB 1.246 31.186 30.300 -0.599 0.000 1.185 85 R HN 0.006 nan 8.270 nan 0.000 0.484 86 Y N 0.320 120.239 120.300 -0.635 0.000 2.429 86 Y HA 0.492 5.046 4.550 0.007 0.000 0.342 86 Y C -0.611 174.763 175.900 -0.877 0.000 1.004 86 Y CA -0.464 57.337 58.100 -0.498 0.000 1.075 86 Y CB 1.433 39.751 38.460 -0.236 0.000 1.214 86 Y HN 0.342 nan 8.280 nan 0.000 0.455 87 F N 1.839 121.457 119.950 -0.553 0.000 2.603 87 F HA 0.642 5.173 4.527 0.007 0.000 0.317 87 F C -1.036 174.214 175.800 -0.916 0.000 1.066 87 F CA -1.515 55.953 58.000 -0.887 0.000 0.941 87 F CB 1.932 40.140 39.000 -1.320 0.000 1.291 87 F HN 0.392 nan 8.300 nan 0.000 0.472 88 Y N -0.942 119.002 120.300 -0.594 0.000 2.521 88 Y HA 0.631 5.185 4.550 0.007 0.000 0.326 88 Y C -2.206 173.566 175.900 -0.213 0.000 1.176 88 Y CA -2.282 55.544 58.100 -0.456 0.000 1.079 88 Y CB 0.341 38.368 38.460 -0.721 0.000 1.341 88 Y HN 0.440 nan 8.280 nan 0.000 0.456 89 F N 3.484 123.568 119.950 0.223 0.000 2.384 89 F HA 0.541 5.072 4.527 0.007 0.000 0.338 89 F C -0.512 175.502 175.800 0.356 0.000 1.103 89 F CA -0.307 57.819 58.000 0.209 0.000 1.157 89 F CB 1.117 40.227 39.000 0.183 0.000 1.167 89 F HN 0.617 nan 8.300 nan 0.000 0.529 90 Y N 3.418 123.913 120.300 0.325 0.000 2.401 90 Y HA 0.341 4.895 4.550 0.007 0.000 0.330 90 Y C -1.503 174.429 175.900 0.054 0.000 1.071 90 Y CA -1.454 56.710 58.100 0.106 0.000 1.049 90 Y CB 1.248 39.694 38.460 -0.023 0.000 1.239 90 Y HN 0.563 nan 8.280 nan 0.000 0.437 91 N N 3.641 121.941 118.700 -0.667 0.000 2.479 91 N HA 0.128 4.872 4.740 0.007 0.000 0.261 91 N C 0.691 175.609 175.510 -0.987 0.000 0.979 91 N CA 0.444 53.133 53.050 -0.603 0.000 0.930 91 N CB 1.749 40.024 38.487 -0.354 0.000 1.172 91 N HN 0.904 nan 8.380 nan 0.000 0.499 92 T N 0.462 114.478 114.554 -0.897 0.000 2.802 92 T HA -0.016 4.338 4.350 0.007 0.000 0.269 92 T C 1.169 175.632 174.700 -0.394 0.000 1.062 92 T CA 1.693 63.403 62.100 -0.649 0.000 1.133 92 T CB 0.088 68.809 68.868 -0.244 0.000 0.852 92 T HN 0.611 nan 8.240 nan 0.000 0.485 93 G N 0.804 109.378 108.800 -0.377 0.000 4.314 93 G HA2 0.128 4.092 3.960 0.007 0.000 0.131 93 G HA3 0.128 4.092 3.960 0.007 0.000 0.131 93 G C 0.420 175.132 174.900 -0.313 0.000 1.870 93 G CA -0.132 44.770 45.100 -0.331 0.000 0.933 93 G HN 0.414 nan 8.290 nan 0.000 0.294 94 L N 2.035 123.156 121.223 -0.170 0.000 2.965 94 L HA 0.397 4.742 4.340 0.007 0.000 0.254 94 L C 0.642 177.479 176.870 -0.055 0.000 1.220 94 L CA -0.118 54.676 54.840 -0.076 0.000 1.023 94 L CB 0.742 42.795 42.059 -0.010 0.000 1.355 94 L HN 0.242 nan 8.230 nan 0.000 0.545 95 Q N 0.326 120.065 119.800 -0.102 0.000 2.364 95 Q HA 0.025 4.369 4.340 0.007 0.000 0.267 95 Q C 0.602 176.578 176.000 -0.040 0.000 0.999 95 Q CA -0.289 55.471 55.803 -0.071 0.000 0.886 95 Q CB 0.949 29.627 28.738 -0.100 0.000 1.243 95 Q HN 0.179 nan 8.270 nan 0.000 0.415 96 N N 0.864 119.553 118.700 -0.018 0.000 2.069 96 N HA -0.137 4.607 4.740 0.007 0.000 0.191 96 N C -0.140 175.365 175.510 -0.007 0.000 1.031 96 N CA 1.418 54.467 53.050 -0.002 0.000 0.852 96 N CB 0.335 38.821 38.487 -0.001 0.000 1.018 96 N HN 0.483 nan 8.380 nan 0.000 0.423 97 Q N 0.083 119.871 119.800 -0.019 0.000 2.397 97 Q HA 0.276 4.620 4.340 0.007 0.000 0.275 97 Q C -0.446 175.536 176.000 -0.029 0.000 1.090 97 Q CA -0.603 55.186 55.803 -0.023 0.000 0.809 97 Q CB 2.646 31.376 28.738 -0.014 0.000 1.362 97 Q HN 0.330 nan 8.270 nan 0.000 0.431 98 R N -0.537 119.944 120.500 -0.033 0.000 2.679 98 R HA 0.568 4.912 4.340 0.007 0.000 0.269 98 R C -0.235 176.132 176.300 0.111 0.000 1.076 98 R CA -0.520 55.587 56.100 0.013 0.000 1.160 98 R CB 0.109 30.419 30.300 0.017 0.000 1.054 98 R HN 0.188 nan 8.270 nan 0.000 0.507 99 V N 2.032 122.068 119.914 0.203 0.000 2.628 99 V HA 0.223 4.347 4.120 0.007 0.000 0.306 99 V C -0.446 175.778 176.094 0.216 0.000 1.045 99 V CA -1.130 61.263 62.300 0.155 0.000 0.905 99 V CB 1.617 33.453 31.823 0.022 0.000 0.997 99 V HN 0.557 nan 8.190 nan 0.000 0.436 100 L N 5.121 126.348 121.223 0.007 0.000 2.260 100 L HA 0.504 4.848 4.340 0.007 0.000 0.289 100 L C -0.921 175.743 176.870 -0.344 0.000 1.057 100 L CA 0.372 55.056 54.840 -0.261 0.000 0.811 100 L CB 0.085 41.987 42.059 -0.261 0.000 1.184 100 L HN 0.529 nan 8.230 nan 0.000 0.429 101 Y N 3.521 123.535 120.300 -0.477 0.000 2.453 101 Y HA 0.693 5.247 4.550 0.007 0.000 0.326 101 Y C -0.115 175.472 175.900 -0.523 0.000 1.186 101 Y CA -0.364 57.433 58.100 -0.504 0.000 1.200 101 Y CB 2.006 39.947 38.460 -0.864 0.000 1.247 101 Y HN 0.399 nan 8.280 nan 0.000 0.482 102 V N 3.058 122.794 119.914 -0.297 0.000 2.808 102 V HA 0.552 4.676 4.120 0.007 0.000 0.308 102 V C -1.813 174.071 176.094 -0.349 0.000 1.099 102 V CA -0.401 61.556 62.300 -0.572 0.000 0.920 102 V CB 1.896 33.253 31.823 -0.777 0.000 1.014 102 V HN 0.881 nan 8.190 nan 0.000 0.425 103 Q N 3.379 122.964 119.800 -0.358 0.000 2.315 103 Q HA 0.496 4.840 4.340 0.007 0.000 0.273 103 Q C -1.105 174.789 176.000 -0.177 0.000 1.053 103 Q CA -0.837 54.862 55.803 -0.174 0.000 0.817 103 Q CB 2.206 30.919 28.738 -0.042 0.000 1.326 103 Q HN 0.607 nan 8.270 nan 0.000 0.423 104 D N 0.977 121.297 120.400 -0.133 0.000 2.371 104 D HA 0.021 4.665 4.640 0.007 0.000 0.221 104 D C -0.137 176.165 176.300 0.004 0.000 0.986 104 D CA 0.888 54.830 54.000 -0.097 0.000 0.899 104 D CB 0.618 41.366 40.800 -0.086 0.000 0.902 104 D HN 0.412 nan 8.370 nan 0.000 0.530 105 S N -0.648 115.059 115.700 0.011 0.000 2.537 105 S HA 0.182 4.656 4.470 0.007 0.000 0.271 105 S C 0.239 174.743 174.600 -0.159 0.000 1.148 105 S CA -0.676 57.528 58.200 0.007 0.000 0.868 105 S CB 1.200 64.386 63.200 -0.024 0.000 1.115 105 S HN -0.159 nan 8.310 nan 0.000 0.461 106 L N 3.433 124.441 121.223 -0.359 0.000 2.263 106 L HA 0.001 4.345 4.340 0.007 0.000 0.216 106 L C 1.967 178.671 176.870 -0.276 0.000 1.111 106 L CA 2.010 56.536 54.840 -0.524 0.000 0.773 106 L CB -0.579 41.167 42.059 -0.522 0.000 0.906 106 L HN 0.793 nan 8.230 nan 0.000 0.439 107 E N -1.531 118.564 120.200 -0.176 0.000 2.216 107 E HA 0.121 4.475 4.350 0.007 0.000 0.192 107 E C 1.318 177.856 176.600 -0.102 0.000 0.973 107 E CA 0.408 56.730 56.400 -0.130 0.000 0.851 107 E CB -0.206 29.438 29.700 -0.095 0.000 0.804 107 E HN 0.449 nan 8.360 nan 0.000 0.477 108 G N 1.509 110.258 108.800 -0.087 0.000 2.750 108 G HA2 0.171 4.135 3.960 0.007 0.000 0.250 108 G HA3 0.171 4.135 3.960 0.007 0.000 0.250 108 G C -0.045 174.822 174.900 -0.056 0.000 1.230 108 G CA 0.186 45.248 45.100 -0.064 0.000 0.883 108 G HN 0.273 nan 8.290 nan 0.000 0.573 109 E N -0.888 119.288 120.200 -0.041 0.000 2.289 109 E HA 0.592 4.946 4.350 0.007 0.000 0.278 109 E C 0.418 177.013 176.600 -0.008 0.000 1.032 109 E CA -0.245 56.140 56.400 -0.024 0.000 0.854 109 E CB 1.031 30.721 29.700 -0.018 0.000 1.046 109 E HN 1.260 nan 8.360 nan 0.000 0.409 110 A N 2.880 125.716 122.820 0.026 0.000 2.316 110 A HA 0.707 5.031 4.320 0.007 0.000 0.284 110 A C 0.493 178.146 177.584 0.114 0.000 1.115 110 A CA -0.379 51.699 52.037 0.069 0.000 0.812 110 A CB 0.391 19.474 19.000 0.139 0.000 1.064 110 A HN 0.852 nan 8.150 nan 0.000 0.489 111 R N 0.971 121.528 120.500 0.095 0.000 2.795 111 R HA 0.662 5.007 4.340 0.007 0.000 0.275 111 R C -1.492 174.787 176.300 -0.036 0.000 0.981 111 R CA -0.779 55.363 56.100 0.071 0.000 0.917 111 R CB 1.001 31.304 30.300 0.005 0.000 1.202 111 R HN 0.302 nan 8.270 nan 0.000 0.469 112 V N 2.720 122.528 119.914 -0.177 0.000 2.655 112 V HA -0.020 4.104 4.120 0.007 0.000 0.300 112 V C 0.382 176.359 176.094 -0.195 0.000 1.044 112 V CA 0.416 62.428 62.300 -0.482 0.000 1.095 112 V CB 0.374 31.956 31.823 -0.402 0.000 0.952 112 V HN 0.732 nan 8.190 nan 0.000 0.485 113 F N 4.641 124.347 119.950 -0.407 0.000 2.480 113 F HA 0.447 4.978 4.527 0.007 0.000 0.280 113 F C 0.456 176.111 175.800 -0.242 0.000 1.002 113 F CA 0.466 58.309 58.000 -0.262 0.000 1.325 113 F CB 0.480 39.343 39.000 -0.230 0.000 1.134 113 F HN 0.258 nan 8.300 nan 0.000 0.646 114 L N 1.469 122.492 121.223 -0.333 0.000 2.482 114 L HA 0.301 4.645 4.340 0.007 0.000 0.269 114 L C -1.879 174.863 176.870 -0.214 0.000 0.967 114 L CA -0.551 54.065 54.840 -0.373 0.000 0.851 114 L CB 1.345 43.129 42.059 -0.458 0.000 1.242 114 L HN -0.085 nan 8.230 nan 0.000 0.404 115 D N 6.296 126.588 120.400 -0.180 0.000 2.460 115 D HA 0.370 5.015 4.640 0.007 0.000 0.232 115 D C -1.897 174.361 176.300 -0.071 0.000 1.079 115 D CA -1.886 52.046 54.000 -0.113 0.000 0.864 115 D CB 1.975 42.707 40.800 -0.112 0.000 1.048 115 D HN 0.207 nan 8.370 nan 0.000 0.523 116 P HA 0.016 nan 4.420 nan 0.000 0.234 116 P C 0.916 178.209 177.300 -0.011 0.000 1.167 116 P CA 0.348 63.440 63.100 -0.013 0.000 0.763 116 P CB 0.366 32.070 31.700 0.008 0.000 0.835 117 N N 0.206 118.895 118.700 -0.020 0.000 2.396 117 N HA -0.047 4.697 4.740 0.007 0.000 0.180 117 N C 1.497 176.998 175.510 -0.015 0.000 1.028 117 N CA 0.848 53.889 53.050 -0.016 0.000 0.893 117 N CB -0.187 38.289 38.487 -0.019 0.000 0.967 117 N HN 0.336 nan 8.380 nan 0.000 0.440 118 I N -2.028 118.530 120.570 -0.021 0.000 3.812 118 I HA 0.113 4.287 4.170 0.007 0.000 0.320 118 I C 0.993 177.104 176.117 -0.010 0.000 1.276 118 I CA 0.247 61.536 61.300 -0.017 0.000 1.164 118 I CB -0.139 37.846 38.000 -0.025 0.000 1.009 118 I HN -0.066 nan 8.210 nan 0.000 0.431 119 L N 0.899 122.118 121.223 -0.006 0.000 2.408 119 L HA 0.219 4.563 4.340 0.007 0.000 0.215 119 L C 0.745 177.615 176.870 -0.000 0.000 1.081 119 L CA 0.425 55.266 54.840 0.002 0.000 0.840 119 L CB 0.165 42.231 42.059 0.013 0.000 1.002 119 L HN 0.514 nan 8.230 nan 0.000 0.468 120 S N -2.367 113.331 115.700 -0.003 0.000 2.603 120 S HA 0.203 4.677 4.470 0.007 0.000 0.274 120 S C -0.064 174.534 174.600 -0.004 0.000 1.168 120 S CA -0.787 57.410 58.200 -0.004 0.000 0.963 120 S CB 1.586 64.782 63.200 -0.007 0.000 1.078 120 S HN -0.038 nan 8.310 nan 0.000 0.477 121 D N 2.330 122.728 120.400 -0.003 0.000 2.190 121 D HA -0.114 4.530 4.640 0.007 0.000 0.200 121 D C 1.203 177.503 176.300 0.000 0.000 0.992 121 D CA 2.172 56.171 54.000 -0.001 0.000 0.854 121 D CB -0.039 40.761 40.800 0.000 0.000 0.936 121 D HN 0.894 nan 8.370 nan 0.000 0.462 122 D N -1.909 118.491 120.400 -0.000 0.000 2.349 122 D HA 0.167 4.811 4.640 0.007 0.000 0.214 122 D C 1.421 177.722 176.300 0.002 0.000 1.063 122 D CA 0.723 54.724 54.000 0.002 0.000 0.847 122 D CB -0.070 40.732 40.800 0.003 0.000 0.933 122 D HN 0.153 nan 8.370 nan 0.000 0.513 123 G N 0.500 109.299 108.800 -0.001 0.000 2.136 123 G HA2 -0.296 3.668 3.960 0.007 0.000 0.242 123 G HA3 -0.296 3.668 3.960 0.007 0.000 0.242 123 G C 0.845 175.744 174.900 -0.002 0.000 0.989 123 G CA 0.676 45.775 45.100 -0.001 0.000 0.682 123 G HN 0.685 nan 8.290 nan 0.000 0.522 124 T N -2.168 112.381 114.554 -0.008 0.000 3.312 124 T HA 0.554 4.908 4.350 0.007 0.000 0.251 124 T C 0.279 174.967 174.700 -0.020 0.000 1.012 124 T CA 0.225 62.315 62.100 -0.017 0.000 0.925 124 T CB 0.763 69.611 68.868 -0.034 0.000 1.049 124 T HN 0.698 nan 8.240 nan 0.000 0.583 125 V N 1.539 121.450 119.914 -0.006 0.000 2.407 125 V HA 0.798 4.923 4.120 0.007 0.000 0.291 125 V C 0.038 176.141 176.094 0.016 0.000 1.018 125 V CA -0.932 61.370 62.300 0.003 0.000 0.842 125 V CB 0.951 32.779 31.823 0.007 0.000 0.996 125 V HN 0.708 nan 8.190 nan 0.000 0.426 126 A N 4.488 127.323 122.820 0.025 0.000 2.384 126 A HA 0.917 5.241 4.320 0.007 0.000 0.312 126 A C -0.951 176.668 177.584 0.058 0.000 1.113 126 A CA -0.746 51.309 52.037 0.030 0.000 0.779 126 A CB 1.584 20.596 19.000 0.021 0.000 1.307 126 A HN 0.903 nan 8.150 nan 0.000 0.436 127 L N 1.034 122.296 121.223 0.065 0.000 2.319 127 L HA 0.561 4.905 4.340 0.007 0.000 0.280 127 L C 0.424 177.358 176.870 0.106 0.000 1.099 127 L CA 0.144 55.057 54.840 0.123 0.000 0.828 127 L CB 0.436 42.574 42.059 0.132 0.000 1.150 127 L HN 0.682 nan 8.230 nan 0.000 0.442 128 R N 4.680 125.252 120.500 0.121 0.000 2.547 128 R HA 0.543 4.887 4.340 0.007 0.000 0.280 128 R C -0.846 175.516 176.300 0.103 0.000 1.630 128 R CA 0.109 56.265 56.100 0.093 0.000 1.470 128 R CB 0.625 30.957 30.300 0.053 0.000 1.178 128 R HN 0.991 nan 8.270 nan 0.000 0.591 129 G N 3.028 111.926 108.800 0.163 0.000 3.067 129 G HA2 -0.173 3.791 3.960 0.007 0.000 0.686 129 G HA3 -0.173 3.791 3.960 0.007 0.000 0.686 129 G C -1.468 173.548 174.900 0.194 0.000 1.119 129 G CA -0.404 44.763 45.100 0.111 0.000 0.790 129 G HN 0.579 nan 8.290 nan 0.000 0.605 130 Y N -1.279 119.069 120.300 0.079 0.000 2.638 130 Y HA 0.933 5.487 4.550 0.007 0.000 0.335 130 Y C -0.182 175.759 175.900 0.069 0.000 1.155 130 Y CA -1.138 56.957 58.100 -0.008 0.000 1.046 130 Y CB 1.299 39.884 38.460 0.209 0.000 1.303 130 Y HN 2.120 nan 8.280 nan 0.000 0.460 131 A N 1.922 124.801 122.820 0.098 0.000 2.532 131 A HA 0.689 5.013 4.320 0.007 0.000 0.296 131 A C -2.183 175.594 177.584 0.322 0.000 1.058 131 A CA -0.648 51.550 52.037 0.268 0.000 0.729 131 A CB 0.629 19.820 19.000 0.318 0.000 1.285 131 A HN 0.632 nan 8.150 nan 0.000 0.396 132 F N 1.520 121.685 119.950 0.358 0.000 2.403 132 F HA 0.573 5.104 4.527 0.007 0.000 0.326 132 F C 1.475 177.108 175.800 -0.279 0.000 1.081 132 F CA 0.443 58.543 58.000 0.166 0.000 1.041 132 F CB 1.869 40.949 39.000 0.133 0.000 1.234 132 F HN 0.690 nan 8.300 nan 0.000 0.503 133 S N 0.268 115.681 115.700 -0.478 0.000 2.624 133 S HA 0.122 4.596 4.470 0.007 0.000 0.263 133 S C 1.022 175.523 174.600 -0.163 0.000 1.287 133 S CA -0.559 57.189 58.200 -0.753 0.000 0.990 133 S CB 1.219 63.916 63.200 -0.837 0.000 0.950 133 S HN 0.680 nan 8.310 nan 0.000 0.561 134 E N 1.389 121.527 120.200 -0.103 0.000 2.070 134 E HA -0.218 4.136 4.350 0.007 0.000 0.197 134 E C 1.146 177.708 176.600 -0.063 0.000 1.004 134 E CA 2.147 58.474 56.400 -0.122 0.000 0.805 134 E CB -0.574 28.953 29.700 -0.289 0.000 0.744 134 E HN 0.881 nan 8.360 nan 0.000 0.451 135 D N -1.435 118.948 120.400 -0.028 0.000 2.336 135 D HA 0.079 4.723 4.640 0.007 0.000 0.229 135 D C 1.224 177.537 176.300 0.022 0.000 1.061 135 D CA 0.774 54.777 54.000 0.005 0.000 0.875 135 D CB -0.475 40.347 40.800 0.037 0.000 0.904 135 D HN 0.303 nan 8.370 nan 0.000 0.525 136 G N 0.383 109.206 108.800 0.040 0.000 2.187 136 G HA2 -0.354 3.610 3.960 0.007 0.000 0.261 136 G HA3 -0.354 3.610 3.960 0.007 0.000 0.261 136 G C 0.947 175.940 174.900 0.155 0.000 1.000 136 G CA 0.502 45.661 45.100 0.098 0.000 0.718 136 G HN 0.370 nan 8.290 nan 0.000 0.519 137 E N -1.414 118.856 120.200 0.116 0.000 2.400 137 E HA 0.197 4.551 4.350 0.007 0.000 0.195 137 E C 0.144 176.700 176.600 -0.073 0.000 1.012 137 E CA 0.457 56.889 56.400 0.052 0.000 0.875 137 E CB 0.250 29.999 29.700 0.082 0.000 0.859 137 E HN 0.643 nan 8.360 nan 0.000 0.498 138 Y N -1.007 119.319 120.300 0.044 0.000 2.512 138 Y HA 0.413 4.967 4.550 0.007 0.000 0.348 138 Y C -0.796 175.163 175.900 0.097 0.000 0.990 138 Y CA -1.178 56.957 58.100 0.059 0.000 1.033 138 Y CB 1.702 40.089 38.460 -0.122 0.000 1.259 138 Y HN -0.225 nan 8.280 nan 0.000 0.461 139 F N 1.869 121.958 119.950 0.231 0.000 2.565 139 F HA 0.868 5.399 4.527 0.007 0.000 0.313 139 F C -1.264 174.726 175.800 0.317 0.000 1.091 139 F CA -0.987 57.022 58.000 0.016 0.000 0.915 139 F CB 1.398 40.292 39.000 -0.177 0.000 1.208 139 F HN 0.505 nan 8.300 nan 0.000 0.453 140 A N 5.109 127.654 122.820 -0.459 0.000 2.386 140 A HA 0.799 5.123 4.320 0.007 0.000 0.311 140 A C -2.133 174.972 177.584 -0.798 0.000 1.068 140 A CA -0.536 51.136 52.037 -0.608 0.000 0.743 140 A CB 0.948 19.677 19.000 -0.452 0.000 1.258 140 A HN 1.002 nan 8.150 nan 0.000 0.429 141 Y N -0.656 119.179 120.300 -0.775 0.000 2.544 141 Y HA 0.753 5.308 4.550 0.007 0.000 0.342 141 Y C 0.137 175.867 175.900 -0.282 0.000 1.062 141 Y CA -0.931 56.896 58.100 -0.455 0.000 1.023 141 Y CB 1.091 39.356 38.460 -0.324 0.000 1.308 141 Y HN 0.855 nan 8.280 nan 0.000 0.457 142 G N 3.051 111.806 108.800 -0.075 0.000 2.348 142 G HA2 0.600 4.564 3.960 0.007 0.000 0.312 142 G HA3 0.600 4.564 3.960 0.007 0.000 0.312 142 G C -1.520 173.389 174.900 0.015 0.000 1.126 142 G CA -0.936 44.104 45.100 -0.099 0.000 0.865 142 G HN 0.725 nan 8.290 nan 0.000 0.474 143 L N 1.513 122.719 121.223 -0.027 0.000 2.333 143 L HA 0.459 4.803 4.340 0.007 0.000 0.280 143 L C -0.004 176.882 176.870 0.028 0.000 1.004 143 L CA -0.604 54.258 54.840 0.037 0.000 0.820 143 L CB 2.218 44.296 42.059 0.031 0.000 1.247 143 L HN 0.427 nan 8.230 nan 0.000 0.416 144 S N 2.001 117.726 115.700 0.041 0.000 2.478 144 S HA 0.737 5.211 4.470 0.007 0.000 0.312 144 S C -0.294 174.321 174.600 0.024 0.000 1.094 144 S CA -0.520 57.705 58.200 0.042 0.000 1.081 144 S CB 1.763 64.988 63.200 0.042 0.000 1.007 144 S HN 0.639 nan 8.310 nan 0.000 0.475 145 A N 2.207 125.036 122.820 0.015 0.000 2.292 145 A HA 0.711 5.035 4.320 0.007 0.000 0.319 145 A C 0.761 178.289 177.584 -0.095 0.000 1.206 145 A CA -0.466 51.553 52.037 -0.031 0.000 0.835 145 A CB 0.223 19.201 19.000 -0.036 0.000 1.164 145 A HN 1.161 nan 8.150 nan 0.000 0.505 146 S N 0.786 116.403 115.700 -0.139 0.000 3.380 146 S HA -0.179 4.295 4.470 0.007 0.000 0.300 146 S C 1.356 175.895 174.600 -0.101 0.000 1.255 146 S CA 1.859 59.913 58.200 -0.243 0.000 0.963 146 S CB -1.573 61.180 63.200 -0.746 0.000 1.106 146 S HN 2.825 nan 8.310 nan 0.000 0.629 147 G N 0.167 108.960 108.800 -0.013 0.000 2.143 147 G HA2 -0.290 3.674 3.960 0.007 0.000 0.249 147 G HA3 -0.290 3.674 3.960 0.007 0.000 0.249 147 G C 0.109 175.067 174.900 0.096 0.000 0.981 147 G CA 0.958 46.089 45.100 0.053 0.000 0.665 147 G HN 1.619 nan 8.290 nan 0.000 0.528 148 S N -0.762 115.005 115.700 0.111 0.000 2.614 148 S HA 0.444 4.918 4.470 0.007 0.000 0.265 148 S C 1.251 175.882 174.600 0.051 0.000 1.303 148 S CA 0.479 58.768 58.200 0.148 0.000 1.000 148 S CB 0.896 64.263 63.200 0.278 0.000 0.935 148 S HN 0.134 nan 8.310 nan 0.000 0.551 149 D N 1.270 121.622 120.400 -0.079 0.000 2.234 149 D HA 0.049 4.693 4.640 0.007 0.000 0.205 149 D C -0.040 176.107 176.300 -0.254 0.000 0.962 149 D CA 0.245 54.087 54.000 -0.265 0.000 0.855 149 D CB -0.115 40.350 40.800 -0.558 0.000 0.951 149 D HN 0.614 nan 8.370 nan 0.000 0.500 150 W N 0.952 122.186 121.300 -0.110 0.000 2.293 150 W HA 0.087 4.752 4.660 0.007 0.000 0.342 150 W C 0.317 176.801 176.519 -0.059 0.000 1.274 150 W CA -0.172 57.130 57.345 -0.071 0.000 1.290 150 W CB 0.547 29.993 29.460 -0.024 0.000 1.176 150 W HN -0.348 nan 8.180 nan 0.000 0.570 151 V N 2.774 122.846 119.914 0.263 0.000 2.914 151 V HA 0.475 4.599 4.120 0.007 0.000 0.314 151 V C -0.231 175.906 176.094 0.072 0.000 1.084 151 V CA -0.942 61.425 62.300 0.112 0.000 0.963 151 V CB 2.397 34.248 31.823 0.048 0.000 1.025 151 V HN 0.382 nan 8.190 nan 0.000 0.432 152 T N 4.687 119.231 114.554 -0.017 0.000 2.833 152 T HA 0.580 4.934 4.350 0.007 0.000 0.297 152 T C -0.378 174.197 174.700 -0.209 0.000 1.015 152 T CA -0.101 61.945 62.100 -0.091 0.000 0.963 152 T CB 0.436 69.252 68.868 -0.087 0.000 0.955 152 T HN 0.380 nan 8.240 nan 0.000 0.449 153 I N 4.228 124.631 120.570 -0.279 0.000 2.325 153 I HA 0.387 4.561 4.170 0.007 0.000 0.291 153 I C 0.562 176.329 176.117 -0.582 0.000 1.019 153 I CA -0.530 60.478 61.300 -0.487 0.000 1.302 153 I CB 0.739 38.425 38.000 -0.523 0.000 1.401 153 I HN 0.280 nan 8.210 nan 0.000 0.485 154 K N 5.458 125.338 120.400 -0.866 0.000 2.306 154 K HA 0.692 5.016 4.320 0.007 0.000 0.236 154 K C -1.265 174.824 176.600 -0.852 0.000 1.013 154 K CA -0.770 55.103 56.287 -0.690 0.000 0.857 154 K CB 2.341 34.410 32.500 -0.719 0.000 1.214 154 K HN 0.209 nan 8.250 nan 0.000 0.449 155 F N 0.411 120.248 119.950 -0.188 0.000 2.593 155 F HA 0.572 5.103 4.527 0.007 0.000 0.320 155 F C 0.062 176.012 175.800 0.250 0.000 1.060 155 F CA -0.829 57.216 58.000 0.074 0.000 0.940 155 F CB 1.781 40.862 39.000 0.136 0.000 1.268 155 F HN 0.154 nan 8.300 nan 0.000 0.475 156 M N 1.221 121.152 119.600 0.551 0.000 2.531 156 M HA 0.328 4.812 4.480 0.007 0.000 0.286 156 M C -1.152 175.381 176.300 0.388 0.000 1.232 156 M CA -0.895 54.659 55.300 0.425 0.000 0.877 156 M CB 3.026 35.854 32.600 0.379 0.000 1.726 156 M HN 0.428 nan 8.290 nan 0.000 0.463 157 K N 1.751 122.275 120.400 0.206 0.000 2.253 157 K HA 0.343 4.667 4.320 0.007 0.000 0.277 157 K C 0.255 176.906 176.600 0.085 0.000 1.053 157 K CA -0.208 56.046 56.287 -0.054 0.000 0.892 157 K CB 1.484 33.935 32.500 -0.081 0.000 1.102 157 K HN 0.587 nan 8.250 nan 0.000 0.469 158 V N 2.415 122.385 119.914 0.093 0.000 2.214 158 V HA -0.261 3.863 4.120 0.007 0.000 0.247 158 V C 0.805 176.996 176.094 0.160 0.000 1.051 158 V CA 1.752 64.207 62.300 0.258 0.000 1.003 158 V CB -0.420 31.517 31.823 0.189 0.000 0.635 158 V HN 0.847 nan 8.190 nan 0.000 0.447 159 D N -0.150 120.267 120.400 0.028 0.000 2.402 159 D HA 0.331 4.975 4.640 0.007 0.000 0.268 159 D C 0.939 177.259 176.300 0.035 0.000 1.294 159 D CA 1.244 55.251 54.000 0.011 0.000 0.945 159 D CB 0.029 40.816 40.800 -0.022 0.000 1.112 159 D HN 0.583 nan 8.370 nan 0.000 0.517 160 G N 3.070 111.906 108.800 0.059 0.000 2.194 160 G HA2 -0.112 3.852 3.960 0.007 0.000 0.236 160 G HA3 -0.112 3.852 3.960 0.007 0.000 0.236 160 G C 0.788 175.741 174.900 0.087 0.000 0.987 160 G CA 0.354 45.488 45.100 0.056 0.000 0.635 160 G HN 1.680 nan 8.290 nan 0.000 0.520 161 A N -0.800 122.120 122.820 0.168 0.000 2.640 161 A HA -0.095 4.229 4.320 0.007 0.000 0.300 161 A C 0.771 178.388 177.584 0.055 0.000 1.499 161 A CA 2.133 54.266 52.037 0.159 0.000 0.759 161 A CB -1.373 17.688 19.000 0.101 0.000 1.048 161 A HN 1.066 nan 8.150 nan 0.000 0.450 162 K N 0.760 121.206 120.400 0.076 0.000 2.276 162 K HA 0.275 4.599 4.320 0.007 0.000 0.283 162 K C 0.291 176.951 176.600 0.100 0.000 1.044 162 K CA -0.254 56.075 56.287 0.069 0.000 0.944 162 K CB 0.921 33.462 32.500 0.067 0.000 1.012 162 K HN 0.717 nan 8.250 nan 0.000 0.472 163 E N 3.875 124.129 120.200 0.090 0.000 2.259 163 E HA 0.150 4.504 4.350 0.007 0.000 0.281 163 E C -0.521 176.161 176.600 0.136 0.000 1.037 163 E CA -0.366 56.108 56.400 0.125 0.000 0.854 163 E CB 0.596 30.353 29.700 0.094 0.000 1.051 163 E HN 0.359 nan 8.360 nan 0.000 0.409 164 L N 5.685 127.020 121.223 0.186 0.000 2.416 164 L HA 0.333 4.677 4.340 0.007 0.000 0.262 164 L C -1.341 175.599 176.870 0.117 0.000 1.093 164 L CA -1.730 53.210 54.840 0.167 0.000 0.801 164 L CB 0.776 42.974 42.059 0.231 0.000 1.191 164 L HN 0.607 nan 8.230 nan 0.000 0.459 165 P HA 0.042 nan 4.420 nan 0.000 0.240 165 P C -0.488 176.823 177.300 0.018 0.000 1.190 165 P CA 0.071 63.194 63.100 0.038 0.000 0.781 165 P CB 0.030 31.743 31.700 0.021 0.000 0.931 166 D N 0.356 120.763 120.400 0.012 0.000 2.458 166 D HA 0.226 4.870 4.640 0.007 0.000 0.243 166 D C -0.088 176.231 176.300 0.031 0.000 1.146 166 D CA 0.524 54.493 54.000 -0.051 0.000 0.877 166 D CB 0.608 41.231 40.800 -0.295 0.000 1.176 166 D HN -0.115 nan 8.370 nan 0.000 0.461 167 V N 2.891 122.755 119.914 -0.083 0.000 2.777 167 V HA 0.359 4.483 4.120 0.007 0.000 0.306 167 V C -0.548 175.422 176.094 -0.206 0.000 1.112 167 V CA -0.867 61.369 62.300 -0.106 0.000 0.917 167 V CB 1.676 33.446 31.823 -0.089 0.000 1.018 167 V HN 0.363 nan 8.190 nan 0.000 0.426 168 L N 3.921 124.995 121.223 -0.249 0.000 2.356 168 L HA 0.708 5.052 4.340 0.007 0.000 0.277 168 L C -0.135 176.639 176.870 -0.161 0.000 0.996 168 L CA -0.498 54.163 54.840 -0.298 0.000 0.822 168 L CB 1.966 43.689 42.059 -0.560 0.000 1.256 168 L HN 0.569 nan 8.230 nan 0.000 0.413 169 E N 2.153 122.300 120.200 -0.089 0.000 2.303 169 E HA 0.476 4.830 4.350 0.007 0.000 0.254 169 E C -0.248 176.386 176.600 0.057 0.000 0.979 169 E CA -0.905 55.474 56.400 -0.035 0.000 0.843 169 E CB 1.477 31.134 29.700 -0.073 0.000 1.245 169 E HN 0.397 nan 8.360 nan 0.000 0.413 170 R N -1.126 119.411 120.500 0.062 0.000 3.641 170 R HA -0.140 4.204 4.340 0.007 0.000 0.286 170 R C -0.432 176.176 176.300 0.513 0.000 1.153 170 R CA 0.162 56.395 56.100 0.220 0.000 0.775 170 R CB -2.219 28.179 30.300 0.163 0.000 1.215 170 R HN 0.151 nan 8.270 nan 0.000 0.474 171 V N 0.664 120.839 119.914 0.434 0.000 2.509 171 V HA 0.491 4.615 4.120 0.007 0.000 0.284 171 V C 0.450 176.749 176.094 0.340 0.000 1.047 171 V CA -0.196 62.326 62.300 0.370 0.000 0.952 171 V CB 1.895 33.857 31.823 0.232 0.000 0.988 171 V HN 0.186 nan 8.190 nan 0.000 0.469 172 K N 2.945 123.476 120.400 0.218 0.000 2.557 172 K HA 0.440 4.764 4.320 0.007 0.000 0.261 172 K C -0.802 175.824 176.600 0.044 0.000 0.932 172 K CA -0.879 55.359 56.287 -0.081 0.000 0.829 172 K CB 1.270 33.581 32.500 -0.314 0.000 1.358 172 K HN 0.434 nan 8.250 nan 0.000 0.430 173 F N 0.373 120.370 119.950 0.078 0.000 2.907 173 F HA -0.281 4.250 4.527 0.007 0.000 0.244 173 F C 0.405 176.250 175.800 0.075 0.000 1.007 173 F CA 0.772 58.814 58.000 0.069 0.000 0.872 173 F CB -1.190 37.858 39.000 0.079 0.000 0.767 173 F HN 0.351 nan 8.300 nan 0.000 0.837 174 S N -0.045 115.769 115.700 0.190 0.000 2.638 174 S HA 0.760 5.234 4.470 0.007 0.000 0.298 174 S C 0.419 175.106 174.600 0.145 0.000 1.111 174 S CA -0.357 57.943 58.200 0.166 0.000 1.027 174 S CB 1.482 64.793 63.200 0.185 0.000 1.064 174 S HN 0.541 nan 8.310 nan 0.000 0.525 175 C N 1.995 121.385 119.300 0.151 0.000 2.478 175 C HA 0.799 5.264 4.460 0.007 0.000 0.379 175 C C 0.030 175.123 174.990 0.172 0.000 1.470 175 C CA -0.898 58.207 59.018 0.146 0.000 2.066 175 C CB -0.361 27.466 27.740 0.144 0.000 2.001 175 C HN 0.848 nan 8.230 nan 0.000 0.550 176 M N 1.396 121.103 119.600 0.178 0.000 2.412 176 M HA 0.389 4.874 4.480 0.007 0.000 0.185 176 M C -0.772 175.682 176.300 0.257 0.000 0.985 176 M CA 0.103 55.506 55.300 0.172 0.000 0.950 176 M CB 1.241 33.895 32.600 0.090 0.000 2.903 176 M HN 0.987 nan 8.290 nan 0.000 0.392 177 A N 1.923 124.948 122.820 0.342 0.000 2.291 177 A HA 0.755 5.079 4.320 0.007 0.000 0.311 177 A C -1.640 176.275 177.584 0.553 0.000 1.224 177 A CA -0.313 52.005 52.037 0.469 0.000 0.821 177 A CB 0.626 19.901 19.000 0.459 0.000 1.172 177 A HN 0.782 nan 8.150 nan 0.000 0.494 178 W N 1.907 123.438 121.300 0.385 0.000 2.261 178 W HA 0.450 5.114 4.660 0.007 0.000 0.323 178 W C 0.977 177.759 176.519 0.437 0.000 1.243 178 W CA 0.317 57.872 57.345 0.351 0.000 1.210 178 W CB 1.334 30.966 29.460 0.286 0.000 1.149 178 W HN 0.727 nan 8.180 nan 0.000 0.562 179 T N -1.306 113.640 114.554 0.652 0.000 2.897 179 T HA 0.135 4.489 4.350 0.007 0.000 0.294 179 T C 0.790 175.823 174.700 0.555 0.000 1.004 179 T CA -0.419 62.016 62.100 0.558 0.000 1.106 179 T CB 0.681 69.800 68.868 0.417 0.000 0.949 179 T HN 0.582 nan 8.240 nan 0.000 0.520 180 H N 0.970 120.212 119.070 0.288 0.000 2.557 180 H HA -0.095 4.465 4.556 0.007 0.000 0.287 180 H C 1.251 176.685 175.328 0.176 0.000 1.043 180 H CA 0.994 57.173 56.048 0.219 0.000 1.226 180 H CB 0.205 30.074 29.762 0.179 0.000 1.361 180 H HN 0.780 nan 8.280 nan 0.000 0.592 181 D N -0.814 119.763 120.400 0.294 0.000 2.349 181 D HA 0.022 4.666 4.640 0.007 0.000 0.215 181 D C 1.763 178.171 176.300 0.180 0.000 1.016 181 D CA 0.695 54.812 54.000 0.196 0.000 0.870 181 D CB -0.156 40.736 40.800 0.154 0.000 0.917 181 D HN 0.323 nan 8.370 nan 0.000 0.524 182 G N 1.120 110.067 108.800 0.245 0.000 2.155 182 G HA2 -0.452 3.512 3.960 0.007 0.000 0.257 182 G HA3 -0.452 3.512 3.960 0.007 0.000 0.257 182 G C 0.955 175.980 174.900 0.208 0.000 0.983 182 G CA 0.801 46.041 45.100 0.232 0.000 0.676 182 G HN 0.583 nan 8.290 nan 0.000 0.528 183 K N 0.048 120.563 120.400 0.192 0.000 2.062 183 K HA 0.371 4.695 4.320 0.007 0.000 0.205 183 K C 1.423 178.026 176.600 0.006 0.000 1.051 183 K CA 1.783 58.128 56.287 0.098 0.000 0.941 183 K CB -0.100 32.474 32.500 0.125 0.000 0.719 183 K HN 0.940 nan 8.250 nan 0.000 0.440 184 G N -0.313 108.514 108.800 0.046 0.000 2.682 184 G HA2 0.440 4.404 3.960 0.007 0.000 0.303 184 G HA3 0.440 4.404 3.960 0.007 0.000 0.303 184 G C -1.892 172.716 174.900 -0.487 0.000 1.341 184 G CA -0.783 44.036 45.100 -0.468 0.000 0.784 184 G HN 0.120 nan 8.290 nan 0.000 0.497 185 M N -0.108 118.980 119.600 -0.854 0.000 2.518 185 M HA 0.695 5.179 4.480 0.007 0.000 0.300 185 M C -1.603 174.529 176.300 -0.280 0.000 1.175 185 M CA -0.747 54.227 55.300 -0.543 0.000 0.890 185 M CB 2.230 34.301 32.600 -0.881 0.000 1.710 185 M HN 0.391 nan 8.290 nan 0.000 0.453 186 F N 3.116 123.181 119.950 0.193 0.000 2.379 186 F HA 0.608 5.140 4.527 0.007 0.000 0.332 186 F C -0.351 175.647 175.800 0.331 0.000 1.096 186 F CA 0.107 58.306 58.000 0.331 0.000 1.105 186 F CB 1.025 40.215 39.000 0.317 0.000 1.189 186 F HN 0.553 nan 8.300 nan 0.000 0.515 187 Y N -0.622 119.868 120.300 0.317 0.000 2.741 187 Y HA 0.531 5.085 4.550 0.007 0.000 0.339 187 Y C -2.101 173.937 175.900 0.230 0.000 1.226 187 Y CA -1.683 56.536 58.100 0.198 0.000 1.072 187 Y CB 0.918 39.433 38.460 0.092 0.000 1.331 187 Y HN 0.530 nan 8.280 nan 0.000 0.453 188 N N 0.829 119.557 118.700 0.046 0.000 2.370 188 N HA 0.855 5.599 4.740 0.007 0.000 0.303 188 N C -1.376 174.172 175.510 0.063 0.000 1.103 188 N CA -0.463 52.568 53.050 -0.032 0.000 0.848 188 N CB 2.238 40.735 38.487 0.017 0.000 1.235 188 N HN 0.959 nan 8.380 nan 0.000 0.496 189 A N 0.865 123.718 122.820 0.055 0.000 2.594 189 A HA 0.673 4.997 4.320 0.007 0.000 0.291 189 A C -1.900 175.723 177.584 0.064 0.000 1.105 189 A CA -0.505 51.635 52.037 0.171 0.000 0.694 189 A CB 0.782 19.904 19.000 0.203 0.000 1.291 189 A HN 0.615 nan 8.150 nan 0.000 0.410 190 Y N 0.687 121.188 120.300 0.334 0.000 2.487 190 Y HA 0.541 5.095 4.550 0.007 0.000 0.337 190 Y C -1.848 174.213 175.900 0.268 0.000 1.076 190 Y CA -2.063 56.231 58.100 0.324 0.000 1.115 190 Y CB 1.660 40.359 38.460 0.399 0.000 1.235 190 Y HN 0.474 nan 8.280 nan 0.000 0.468 191 P HA -0.019 nan 4.420 nan 0.000 0.268 191 P C -1.408 176.016 177.300 0.207 0.000 1.204 191 P CA -0.108 63.145 63.100 0.255 0.000 0.768 191 P CB 0.581 32.409 31.700 0.212 0.000 0.842 192 Q N 0.857 120.732 119.800 0.124 0.000 2.239 192 Q HA 0.288 4.632 4.340 0.007 0.000 0.286 192 Q C 0.810 176.852 176.000 0.069 0.000 1.102 192 Q CA 0.600 56.443 55.803 0.068 0.000 0.936 192 Q CB -0.235 28.520 28.738 0.028 0.000 1.127 192 Q HN 0.572 nan 8.270 nan 0.000 0.380 193 Q N 1.358 121.196 119.800 0.064 0.000 2.297 193 Q HA 0.568 4.912 4.340 0.007 0.000 0.269 193 Q C -0.190 175.826 176.000 0.028 0.000 1.051 193 Q CA -0.225 55.616 55.803 0.064 0.000 0.869 193 Q CB 0.611 29.412 28.738 0.104 0.000 1.346 193 Q HN 0.792 nan 8.270 nan 0.000 0.457 194 D N -1.023 119.394 120.400 0.030 0.000 2.384 194 D HA 0.636 5.280 4.640 0.007 0.000 0.244 194 D C 1.101 177.410 176.300 0.014 0.000 1.251 194 D CA 1.033 55.042 54.000 0.015 0.000 0.961 194 D CB 0.135 40.946 40.800 0.018 0.000 1.116 194 D HN 2.085 nan 8.370 nan 0.000 0.484 195 G N -0.654 108.149 108.800 0.005 0.000 2.693 195 G HA2 -0.101 3.863 3.960 0.007 0.000 0.226 195 G HA3 -0.101 3.863 3.960 0.007 0.000 0.226 195 G C 0.091 174.983 174.900 -0.013 0.000 1.354 195 G CA 0.171 45.274 45.100 0.005 0.000 0.873 195 G HN 1.071 nan 8.290 nan 0.000 0.562 196 K N -0.859 119.535 120.400 -0.010 0.000 2.098 196 K HA 0.702 5.026 4.320 0.007 0.000 0.244 196 K C -0.242 176.324 176.600 -0.057 0.000 1.014 196 K CA -0.188 56.078 56.287 -0.036 0.000 0.917 196 K CB 1.200 33.691 32.500 -0.016 0.000 1.072 196 K HN 0.487 nan 8.250 nan 0.000 0.477 197 S N 1.197 116.802 115.700 -0.158 0.000 2.539 197 S HA 0.043 4.517 4.470 0.007 0.000 0.185 197 S C -1.015 173.302 174.600 -0.472 0.000 1.181 197 S CA -0.635 57.345 58.200 -0.367 0.000 1.216 197 S CB -0.017 62.752 63.200 -0.718 0.000 1.476 197 S HN 0.789 nan 8.310 nan 0.000 0.395 198 D N -0.230 120.128 120.400 -0.070 0.000 2.513 198 D HA 0.339 4.983 4.640 0.007 0.000 0.222 198 D C 1.248 177.750 176.300 0.337 0.000 1.210 198 D CA 0.387 54.438 54.000 0.084 0.000 0.825 198 D CB 0.054 40.912 40.800 0.097 0.000 1.037 198 D HN 0.489 nan 8.370 nan 0.000 0.506 199 G N 0.427 109.466 108.800 0.398 0.000 2.232 199 G HA2 -0.339 3.626 3.960 0.007 0.000 0.226 199 G HA3 -0.339 3.626 3.960 0.007 0.000 0.226 199 G C 1.208 176.159 174.900 0.086 0.000 0.996 199 G CA 0.630 45.930 45.100 0.334 0.000 0.626 199 G HN 0.603 nan 8.290 nan 0.000 0.509 200 T N -0.422 114.109 114.554 -0.038 0.000 3.065 200 T HA 0.357 4.711 4.350 0.007 0.000 0.252 200 T C 0.964 175.649 174.700 -0.025 0.000 1.099 200 T CA 1.056 63.071 62.100 -0.141 0.000 1.063 200 T CB 0.196 68.933 68.868 -0.218 0.000 0.948 200 T HN 0.827 nan 8.240 nan 0.000 0.506 201 E N 2.454 122.685 120.200 0.051 0.000 2.349 201 E HA 0.137 4.491 4.350 0.007 0.000 0.262 201 E C 0.263 176.910 176.600 0.079 0.000 1.088 201 E CA -0.031 56.411 56.400 0.070 0.000 0.899 201 E CB 1.216 30.983 29.700 0.112 0.000 1.044 201 E HN 0.304 nan 8.360 nan 0.000 0.420 202 T N -1.926 112.673 114.554 0.074 0.000 3.084 202 T HA 0.162 4.516 4.350 0.007 0.000 0.270 202 T C 0.011 174.812 174.700 0.168 0.000 1.008 202 T CA -0.474 61.685 62.100 0.099 0.000 0.900 202 T CB -0.217 68.663 68.868 0.020 0.000 1.084 202 T HN 0.305 nan 8.240 nan 0.000 0.538 203 S N 2.394 118.174 115.700 0.133 0.000 2.537 203 S HA 0.262 4.736 4.470 0.007 0.000 0.286 203 S C 0.421 175.079 174.600 0.097 0.000 1.299 203 S CA -0.418 57.853 58.200 0.118 0.000 1.067 203 S CB 0.863 64.131 63.200 0.114 0.000 0.864 203 S HN 0.459 nan 8.310 nan 0.000 0.494 204 T N 2.848 117.446 114.554 0.073 0.000 2.888 204 T HA 0.074 4.429 4.350 0.007 0.000 0.301 204 T C 0.024 174.752 174.700 0.047 0.000 1.001 204 T CA -0.320 61.812 62.100 0.055 0.000 1.147 204 T CB -0.496 68.400 68.868 0.047 0.000 0.931 204 T HN 0.626 nan 8.240 nan 0.000 0.541 205 N N 4.958 123.659 118.700 0.001 0.000 2.406 205 N HA 0.503 5.247 4.740 0.007 0.000 0.251 205 N C -0.806 174.787 175.510 0.139 0.000 1.069 205 N CA -0.327 52.628 53.050 -0.159 0.000 0.947 205 N CB 0.649 38.840 38.487 -0.494 0.000 1.111 205 N HN 0.446 nan 8.380 nan 0.000 0.497 206 L N 1.157 122.517 121.223 0.227 0.000 2.359 206 L HA 0.474 4.818 4.340 0.007 0.000 0.256 206 L C -0.142 176.971 176.870 0.405 0.000 1.026 206 L CA -1.014 53.958 54.840 0.220 0.000 0.828 206 L CB 1.610 43.666 42.059 -0.005 0.000 1.406 206 L HN 0.643 nan 8.230 nan 0.000 0.413 207 H N 0.011 119.234 119.070 0.255 0.000 2.882 207 H HA -0.158 4.402 4.556 0.007 0.000 0.314 207 H C 0.023 175.429 175.328 0.129 0.000 1.270 207 H CA 0.455 56.614 56.048 0.184 0.000 1.165 207 H CB -0.747 29.103 29.762 0.145 0.000 1.436 207 H HN 0.628 nan 8.280 nan 0.000 0.431 208 Q N 1.266 121.124 119.800 0.097 0.000 2.311 208 Q HA 0.259 4.603 4.340 0.007 0.000 0.272 208 Q C -0.182 175.755 176.000 -0.104 0.000 1.012 208 Q CA 0.308 55.918 55.803 -0.322 0.000 0.891 208 Q CB 0.739 29.227 28.738 -0.418 0.000 1.201 208 Q HN 0.308 nan 8.270 nan 0.000 0.391 209 K N 2.513 122.815 120.400 -0.162 0.000 2.306 209 K HA 0.512 4.836 4.320 0.007 0.000 0.236 209 K C -1.282 175.107 176.600 -0.350 0.000 1.013 209 K CA -0.810 55.305 56.287 -0.288 0.000 0.857 209 K CB 1.248 33.486 32.500 -0.437 0.000 1.214 209 K HN 0.451 nan 8.250 nan 0.000 0.449 210 L N 1.960 122.929 121.223 -0.423 0.000 2.287 210 L HA 0.443 4.787 4.340 0.007 0.000 0.287 210 L C -1.692 174.965 176.870 -0.355 0.000 1.022 210 L CA -0.034 54.659 54.840 -0.245 0.000 0.814 210 L CB 0.316 42.347 42.059 -0.046 0.000 1.217 210 L HN 0.502 nan 8.230 nan 0.000 0.420 211 Y N 3.694 123.898 120.300 -0.161 0.000 2.621 211 Y HA 0.515 5.069 4.550 0.007 0.000 0.334 211 Y C -1.204 174.770 175.900 0.123 0.000 1.074 211 Y CA -0.404 57.635 58.100 -0.102 0.000 1.149 211 Y CB 1.719 39.967 38.460 -0.354 0.000 1.302 211 Y HN 0.496 nan 8.280 nan 0.000 0.501 212 Y N 1.121 121.572 120.300 0.252 0.000 2.346 212 Y HA 0.380 4.934 4.550 0.007 0.000 0.332 212 Y C -1.354 174.649 175.900 0.172 0.000 0.985 212 Y CA -1.136 57.001 58.100 0.062 0.000 1.112 212 Y CB 0.770 39.117 38.460 -0.189 0.000 1.170 212 Y HN 0.712 nan 8.280 nan 0.000 0.447 213 H N 5.060 123.885 119.070 -0.407 0.000 2.541 213 H HA 0.608 5.168 4.556 0.007 0.000 0.316 213 H C -1.563 173.343 175.328 -0.703 0.000 1.043 213 H CA -0.599 55.208 56.048 -0.400 0.000 1.232 213 H CB 1.046 30.603 29.762 -0.342 0.000 1.406 213 H HN 0.512 nan 8.280 nan 0.000 0.469 214 V N 7.154 126.500 119.914 -0.946 0.000 2.408 214 V HA 0.036 4.160 4.120 0.007 0.000 0.267 214 V C 0.268 175.765 176.094 -0.995 0.000 1.047 214 V CA -0.638 61.207 62.300 -0.759 0.000 0.937 214 V CB 0.482 32.103 31.823 -0.337 0.000 0.999 214 V HN 0.695 nan 8.190 nan 0.000 0.472 215 L N 5.180 125.939 121.223 -0.775 0.000 2.559 215 L HA 0.419 4.763 4.340 0.007 0.000 0.282 215 L C 1.268 177.915 176.870 -0.373 0.000 1.232 215 L CA 2.072 56.554 54.840 -0.597 0.000 0.885 215 L CB 0.445 42.271 42.059 -0.388 0.000 1.131 215 L HN 0.973 nan 8.230 nan 0.000 0.498 216 G N 1.346 109.984 108.800 -0.269 0.000 2.157 216 G HA2 -0.239 3.725 3.960 0.007 0.000 0.239 216 G HA3 -0.239 3.725 3.960 0.007 0.000 0.239 216 G C 0.255 175.076 174.900 -0.131 0.000 0.982 216 G CA 0.408 45.419 45.100 -0.149 0.000 0.650 216 G HN 1.031 nan 8.290 nan 0.000 0.527 217 T N -2.387 112.062 114.554 -0.175 0.000 2.883 217 T HA 0.653 5.007 4.350 0.007 0.000 0.284 217 T C -0.599 174.102 174.700 0.001 0.000 1.041 217 T CA 0.175 62.212 62.100 -0.106 0.000 1.007 217 T CB 2.773 71.544 68.868 -0.161 0.000 1.220 217 T HN 0.168 nan 8.240 nan 0.000 0.552 218 D N -0.775 119.628 120.400 0.004 0.000 2.229 218 D HA 0.237 4.881 4.640 0.007 0.000 0.249 218 D C 1.249 177.571 176.300 0.036 0.000 1.027 218 D CA -0.515 53.493 54.000 0.013 0.000 0.923 218 D CB 1.737 42.531 40.800 -0.010 0.000 1.174 218 D HN 0.694 nan 8.370 nan 0.000 0.443 219 Q N 0.998 120.791 119.800 -0.011 0.000 2.234 219 Q HA -0.178 4.166 4.340 0.007 0.000 0.206 219 Q C 1.419 177.410 176.000 -0.016 0.000 0.980 219 Q CA 1.708 57.494 55.803 -0.028 0.000 0.869 219 Q CB 0.021 28.695 28.738 -0.106 0.000 0.912 219 Q HN 0.601 nan 8.270 nan 0.000 0.436 220 S N -0.309 115.381 115.700 -0.017 0.000 2.442 220 S HA -0.157 4.317 4.470 0.007 0.000 0.236 220 S C 1.300 175.907 174.600 0.011 0.000 1.007 220 S CA 1.243 59.436 58.200 -0.012 0.000 0.965 220 S CB -0.093 63.100 63.200 -0.010 0.000 0.773 220 S HN 0.445 nan 8.310 nan 0.000 0.504 221 E N 0.964 121.177 120.200 0.022 0.000 2.447 221 E HA 0.069 4.423 4.350 0.007 0.000 0.195 221 E C -0.433 176.206 176.600 0.065 0.000 1.028 221 E CA -0.180 56.239 56.400 0.031 0.000 0.876 221 E CB 0.066 29.769 29.700 0.006 0.000 0.885 221 E HN 0.489 nan 8.360 nan 0.000 0.500 222 D N 0.882 121.340 120.400 0.097 0.000 2.474 222 D HA -0.074 4.570 4.640 0.007 0.000 0.232 222 D C 0.079 176.518 176.300 0.232 0.000 1.177 222 D CA 0.689 54.796 54.000 0.178 0.000 0.876 222 D CB 0.599 41.528 40.800 0.214 0.000 1.208 222 D HN -0.027 nan 8.370 nan 0.000 0.464 223 I N 1.889 122.631 120.570 0.287 0.000 2.353 223 I HA 0.128 4.302 4.170 0.007 0.000 0.293 223 I C 0.292 176.587 176.117 0.297 0.000 0.992 223 I CA -0.865 60.587 61.300 0.253 0.000 1.268 223 I CB 0.799 38.924 38.000 0.208 0.000 1.387 223 I HN 0.192 nan 8.210 nan 0.000 0.478 224 L N 6.752 128.087 121.223 0.187 0.000 2.278 224 L HA 0.256 4.600 4.340 0.007 0.000 0.287 224 L C 0.422 177.295 176.870 0.005 0.000 1.072 224 L CA 0.453 55.275 54.840 -0.030 0.000 0.819 224 L CB 0.824 42.840 42.059 -0.072 0.000 1.176 224 L HN 0.740 nan 8.230 nan 0.000 0.435 225 C N 3.982 123.302 119.300 0.033 0.000 2.912 225 C HA 0.764 5.228 4.460 0.007 0.000 0.274 225 C C 0.764 175.936 174.990 0.303 0.000 1.248 225 C CA 0.104 59.234 59.018 0.188 0.000 1.694 225 C CB -1.139 26.826 27.740 0.374 0.000 2.024 225 C HN 0.911 nan 8.230 nan 0.000 0.605 226 A N 1.226 124.083 122.820 0.062 0.000 2.565 226 A HA 0.634 4.958 4.320 0.007 0.000 0.298 226 A C -1.200 176.087 177.584 -0.495 0.000 1.062 226 A CA -0.397 51.602 52.037 -0.063 0.000 0.723 226 A CB 0.824 19.805 19.000 -0.032 0.000 1.282 226 A HN 0.472 nan 8.150 nan 0.000 0.400 227 E N 0.623 120.399 120.200 -0.708 0.000 2.375 227 E HA 0.691 5.045 4.350 0.007 0.000 0.280 227 E C -1.853 174.260 176.600 -0.811 0.000 0.972 227 E CA -0.853 55.081 56.400 -0.776 0.000 0.782 227 E CB 1.400 30.907 29.700 -0.321 0.000 1.229 227 E HN 0.517 nan 8.360 nan 0.000 0.439 228 F N 1.886 121.879 119.950 0.071 0.000 2.449 228 F HA 0.355 4.887 4.527 0.007 0.000 0.344 228 F C -1.827 173.980 175.800 0.011 0.000 1.180 228 F CA -2.086 55.937 58.000 0.037 0.000 1.209 228 F CB 1.439 40.463 39.000 0.040 0.000 1.440 228 F HN 0.355 nan 8.300 nan 0.000 0.526 229 P HA -0.135 nan 4.420 nan 0.000 0.225 229 P C 0.608 177.973 177.300 0.109 0.000 1.148 229 P CA 1.316 64.509 63.100 0.155 0.000 0.779 229 P CB 0.490 32.225 31.700 0.058 0.000 0.780 230 D N -0.240 120.165 120.400 0.009 0.000 2.346 230 D HA 0.014 4.658 4.640 0.007 0.000 0.206 230 D C 0.330 176.501 176.300 -0.214 0.000 1.001 230 D CA 0.774 54.728 54.000 -0.077 0.000 0.871 230 D CB 0.446 41.191 40.800 -0.091 0.000 0.943 230 D HN 0.293 nan 8.370 nan 0.000 0.518 231 E N 0.846 120.854 120.200 -0.321 0.000 2.675 231 E HA 0.183 4.537 4.350 0.007 0.000 0.236 231 E C -2.067 174.305 176.600 -0.379 0.000 1.059 231 E CA -1.586 54.462 56.400 -0.586 0.000 0.775 231 E CB 1.982 30.750 29.700 -1.554 0.000 1.356 231 E HN -0.039 nan 8.360 nan 0.000 0.403 232 P HA -0.158 nan 4.420 nan 0.000 0.219 232 P C 1.015 178.114 177.300 -0.335 0.000 1.146 232 P CA 1.208 63.946 63.100 -0.604 0.000 0.808 232 P CB 0.354 31.712 31.700 -0.569 0.000 0.779 233 K N -2.765 117.497 120.400 -0.228 0.000 2.361 233 K HA -0.011 4.313 4.320 0.007 0.000 0.196 233 K C 0.461 177.163 176.600 0.169 0.000 1.039 233 K CA 0.201 56.422 56.287 -0.111 0.000 1.001 233 K CB -0.151 32.266 32.500 -0.140 0.000 0.795 233 K HN 0.172 nan 8.250 nan 0.000 0.495 234 W N 1.948 123.185 121.300 -0.104 0.000 2.170 234 W HA 0.166 4.829 4.660 0.006 0.000 0.342 234 W C 0.394 176.876 176.519 -0.062 0.000 1.294 234 W CA -0.198 57.052 57.345 -0.157 0.000 1.246 234 W CB -0.053 29.183 29.460 -0.373 0.000 1.156 234 W HN -0.083 nan 8.180 nan 0.000 0.572 235 M N 2.443 122.080 119.600 0.061 0.000 2.267 235 M HA 0.436 4.920 4.480 0.007 0.000 0.289 235 M C 0.213 176.491 176.300 -0.036 0.000 1.043 235 M CA -0.521 54.820 55.300 0.069 0.000 0.928 235 M CB 2.294 34.922 32.600 0.046 0.000 1.613 235 M HN 0.491 nan 8.290 nan 0.000 0.450 236 G N 1.489 110.324 108.800 0.058 0.000 2.533 236 G HA2 0.651 4.615 3.960 0.007 0.000 0.310 236 G HA3 0.651 4.615 3.960 0.007 0.000 0.310 236 G C -0.365 174.511 174.900 -0.040 0.000 1.266 236 G CA -0.545 44.526 45.100 -0.048 0.000 0.967 236 G HN 0.861 nan 8.290 nan 0.000 0.493 237 G N 0.314 109.077 108.800 -0.060 0.000 2.400 237 G HA2 0.749 4.713 3.960 0.007 0.000 0.301 237 G HA3 0.749 4.713 3.960 0.007 0.000 0.301 237 G C -0.187 174.689 174.900 -0.041 0.000 1.154 237 G CA 0.112 45.205 45.100 -0.011 0.000 0.852 237 G HN 1.058 nan 8.290 nan 0.000 0.511 238 A N 1.315 124.130 122.820 -0.008 0.000 2.384 238 A HA 0.956 5.280 4.320 0.007 0.000 0.312 238 A C -0.343 177.253 177.584 0.020 0.000 1.113 238 A CA -0.701 51.301 52.037 -0.059 0.000 0.779 238 A CB 1.660 20.527 19.000 -0.221 0.000 1.307 238 A HN 0.980 nan 8.150 nan 0.000 0.436 239 E N 0.842 121.050 120.200 0.013 0.000 2.407 239 E HA 0.542 4.896 4.350 0.007 0.000 0.279 239 E C -1.829 174.819 176.600 0.080 0.000 1.012 239 E CA -0.929 55.531 56.400 0.101 0.000 0.800 239 E CB 0.943 30.718 29.700 0.124 0.000 1.276 239 E HN 0.364 nan 8.360 nan 0.000 0.452 240 L N 2.056 123.381 121.223 0.171 0.000 2.343 240 L HA 0.408 4.752 4.340 0.007 0.000 0.275 240 L C 0.614 177.546 176.870 0.104 0.000 1.056 240 L CA -0.461 54.473 54.840 0.157 0.000 0.804 240 L CB 1.560 43.764 42.059 0.241 0.000 1.203 240 L HN 0.903 nan 8.230 nan 0.000 0.440 241 S N 0.236 115.979 115.700 0.071 0.000 2.614 241 S HA 0.116 4.590 4.470 0.007 0.000 0.265 241 S C 0.767 175.515 174.600 0.246 0.000 1.303 241 S CA -0.699 57.560 58.200 0.098 0.000 1.000 241 S CB 0.950 64.294 63.200 0.241 0.000 0.935 241 S HN 0.561 nan 8.310 nan 0.000 0.551 242 D N 1.396 122.004 120.400 0.346 0.000 2.203 242 D HA -0.154 4.490 4.640 0.007 0.000 0.199 242 D C 1.043 177.525 176.300 0.303 0.000 0.997 242 D CA 1.857 56.041 54.000 0.305 0.000 0.863 242 D CB -0.449 40.467 40.800 0.193 0.000 0.928 242 D HN 0.884 nan 8.370 nan 0.000 0.458 243 D N -1.241 119.272 120.400 0.188 0.000 2.339 243 D HA 0.164 4.808 4.640 0.007 0.000 0.217 243 D C 1.537 177.851 176.300 0.023 0.000 1.050 243 D CA 0.622 54.712 54.000 0.150 0.000 0.856 243 D CB -0.232 40.633 40.800 0.108 0.000 0.922 243 D HN 0.161 nan 8.370 nan 0.000 0.518 244 G N 1.327 109.941 108.800 -0.309 0.000 2.166 244 G HA2 -0.461 3.503 3.960 0.007 0.000 0.260 244 G HA3 -0.461 3.503 3.960 0.007 0.000 0.260 244 G C 1.124 175.881 174.900 -0.239 0.000 0.986 244 G CA 0.697 45.272 45.100 -0.876 0.000 0.683 244 G HN 0.584 nan 8.290 nan 0.000 0.527 245 R N -1.138 119.330 120.500 -0.054 0.000 2.189 245 R HA 0.344 4.688 4.340 0.007 0.000 0.203 245 R C 0.306 176.513 176.300 -0.154 0.000 1.012 245 R CA 0.413 56.455 56.100 -0.096 0.000 1.015 245 R CB 0.122 30.348 30.300 -0.124 0.000 0.938 245 R HN 0.389 nan 8.270 nan 0.000 0.472 246 Y N -0.334 120.048 120.300 0.136 0.000 2.429 246 Y HA 0.442 4.996 4.550 0.007 0.000 0.342 246 Y C -0.641 175.346 175.900 0.145 0.000 1.004 246 Y CA -1.151 57.071 58.100 0.203 0.000 1.075 246 Y CB 2.394 41.047 38.460 0.323 0.000 1.214 246 Y HN -0.335 nan 8.280 nan 0.000 0.455 247 V N 5.172 125.280 119.914 0.325 0.000 2.328 247 V HA 0.307 4.431 4.120 0.007 0.000 0.278 247 V C -0.335 175.949 176.094 0.317 0.000 1.021 247 V CA -0.735 61.689 62.300 0.206 0.000 0.838 247 V CB 0.642 32.520 31.823 0.092 0.000 0.999 247 V HN 0.551 nan 8.190 nan 0.000 0.447 248 L N 5.975 127.299 121.223 0.167 0.000 2.276 248 L HA 0.549 4.893 4.340 0.007 0.000 0.286 248 L C -0.438 176.457 176.870 0.040 0.000 1.061 248 L CA -0.438 54.484 54.840 0.138 0.000 0.807 248 L CB 1.389 43.465 42.059 0.028 0.000 1.177 248 L HN 0.496 nan 8.230 nan 0.000 0.429 249 L N 3.064 124.266 121.223 -0.035 0.000 2.316 249 L HA 0.430 4.774 4.340 0.007 0.000 0.280 249 L C -0.366 176.334 176.870 -0.283 0.000 1.006 249 L CA 0.189 54.875 54.840 -0.257 0.000 0.836 249 L CB 1.581 43.238 42.059 -0.671 0.000 1.221 249 L HN 0.485 nan 8.230 nan 0.000 0.418 250 S N 6.623 122.201 115.700 -0.204 0.000 2.411 250 S HA 0.558 5.032 4.470 0.007 0.000 0.294 250 S C -0.041 174.377 174.600 -0.304 0.000 1.115 250 S CA -0.405 57.678 58.200 -0.196 0.000 1.071 250 S CB 0.263 63.428 63.200 -0.058 0.000 0.967 250 S HN 0.491 nan 8.310 nan 0.000 0.488 251 I N 4.299 124.587 120.570 -0.469 0.000 2.331 251 I HA 0.413 4.587 4.170 0.007 0.000 0.292 251 I C 0.485 176.379 176.117 -0.372 0.000 0.998 251 I CA -0.446 60.495 61.300 -0.599 0.000 1.267 251 I CB 0.760 38.095 38.000 -1.108 0.000 1.386 251 I HN 0.366 nan 8.210 nan 0.000 0.476 252 R N 4.585 124.873 120.500 -0.354 0.000 2.803 252 R HA 0.552 4.896 4.340 0.007 0.000 0.276 252 R C -0.890 175.142 176.300 -0.448 0.000 0.978 252 R CA -0.901 55.002 56.100 -0.328 0.000 0.939 252 R CB 2.780 32.965 30.300 -0.191 0.000 1.179 252 R HN 0.579 nan 8.270 nan 0.000 0.472 253 E N 0.841 120.690 120.200 -0.584 0.000 2.460 253 E HA 0.395 4.749 4.350 0.007 0.000 0.249 253 E C -0.391 176.056 176.600 -0.254 0.000 0.962 253 E CA -0.128 56.031 56.400 -0.402 0.000 0.787 253 E CB 0.949 30.291 29.700 -0.597 0.000 1.341 253 E HN 0.853 nan 8.360 nan 0.000 0.407 254 G N 1.693 110.444 108.800 -0.081 0.000 2.587 254 G HA2 -0.245 3.719 3.960 0.007 0.000 0.212 254 G HA3 -0.245 3.719 3.960 0.007 0.000 0.212 254 G C 0.292 175.195 174.900 0.006 0.000 1.327 254 G CA -0.335 44.767 45.100 0.003 0.000 0.898 254 G HN 0.593 nan 8.290 nan 0.000 0.551 255 C N 0.695 120.057 119.300 0.105 0.000 2.778 255 C HA 0.428 4.892 4.460 0.007 0.000 0.294 255 C C 0.591 175.642 174.990 0.101 0.000 1.331 255 C CA -0.495 58.604 59.018 0.135 0.000 1.741 255 C CB -1.213 26.729 27.740 0.336 0.000 2.106 255 C HN 0.607 nan 8.230 nan 0.000 0.603 256 D N 2.479 122.906 120.400 0.045 0.000 2.382 256 D HA 0.166 4.810 4.640 0.007 0.000 0.245 256 D C -2.130 174.184 176.300 0.023 0.000 1.120 256 D CA -1.331 52.699 54.000 0.049 0.000 0.890 256 D CB 0.884 41.694 40.800 0.018 0.000 1.201 256 D HN 0.090 nan 8.370 nan 0.000 0.433 257 P HA 0.055 nan 4.420 nan 0.000 0.232 257 P C -0.974 176.352 177.300 0.044 0.000 1.738 257 P CA 0.006 63.142 63.100 0.062 0.000 0.948 257 P CB -0.210 31.558 31.700 0.114 0.000 1.943 258 V N -1.294 118.637 119.914 0.028 0.000 3.048 258 V HA 0.739 4.864 4.120 0.007 0.000 0.303 258 V C -1.169 174.978 176.094 0.088 0.000 1.214 258 V CA -1.036 61.298 62.300 0.056 0.000 0.984 258 V CB 2.976 34.847 31.823 0.080 0.000 1.054 258 V HN 0.352 nan 8.190 nan 0.000 0.430 259 N N 1.610 120.410 118.700 0.167 0.000 2.591 259 N HA 0.483 5.227 4.740 0.007 0.000 0.263 259 N C -1.318 174.232 175.510 0.067 0.000 1.308 259 N CA -0.968 52.168 53.050 0.144 0.000 0.837 259 N CB 2.632 41.139 38.487 0.033 0.000 1.548 259 N HN 0.773 nan 8.380 nan 0.000 0.493 260 R N 0.054 120.447 120.500 -0.178 0.000 2.500 260 R HA 0.443 4.787 4.340 0.007 0.000 0.275 260 R C -0.686 175.424 176.300 -0.318 0.000 1.051 260 R CA -0.761 55.099 56.100 -0.401 0.000 1.088 260 R CB 0.938 30.771 30.300 -0.778 0.000 1.063 260 R HN 0.440 nan 8.270 nan 0.000 0.511 261 L N 3.704 124.801 121.223 -0.211 0.000 2.427 261 L HA 0.378 4.722 4.340 0.007 0.000 0.264 261 L C -1.810 175.128 176.870 0.114 0.000 0.989 261 L CA -0.334 54.418 54.840 -0.147 0.000 0.865 261 L CB 0.954 42.850 42.059 -0.273 0.000 1.209 261 L HN 0.652 nan 8.230 nan 0.000 0.430 262 W N 4.920 126.104 121.300 -0.192 0.000 2.639 262 W HA 0.567 5.231 4.660 0.007 0.000 0.347 262 W C -0.166 176.385 176.519 0.054 0.000 1.067 262 W CA -1.024 56.247 57.345 -0.124 0.000 1.218 262 W CB 0.936 30.256 29.460 -0.235 0.000 1.393 262 W HN 0.460 nan 8.180 nan 0.000 0.557 263 Y N -0.422 120.032 120.300 0.257 0.000 2.609 263 Y HA 0.727 5.281 4.550 0.007 0.000 0.342 263 Y C -1.031 175.119 175.900 0.416 0.000 1.058 263 Y CA -1.888 56.381 58.100 0.282 0.000 1.055 263 Y CB 1.664 40.115 38.460 -0.015 0.000 1.292 263 Y HN 0.527 nan 8.280 nan 0.000 0.476 264 C N 2.961 122.529 119.300 0.446 0.000 2.481 264 C HA 0.449 4.914 4.460 0.007 0.000 0.324 264 C C -1.223 173.901 174.990 0.223 0.000 1.170 264 C CA -0.566 58.498 59.018 0.077 0.000 1.361 264 C CB 0.461 28.006 27.740 -0.324 0.000 1.977 264 C HN 0.925 nan 8.230 nan 0.000 0.459 265 D N 4.490 124.963 120.400 0.122 0.000 2.393 265 D HA 0.199 4.843 4.640 0.007 0.000 0.232 265 D C 1.193 177.417 176.300 -0.127 0.000 1.192 265 D CA -0.100 53.873 54.000 -0.046 0.000 0.882 265 D CB 0.624 41.452 40.800 0.045 0.000 1.038 265 D HN 0.716 nan 8.370 nan 0.000 0.499 266 L N 2.763 123.896 121.223 -0.149 0.000 2.349 266 L HA -0.188 4.157 4.340 0.007 0.000 0.220 266 L C 1.984 178.793 176.870 -0.103 0.000 1.130 266 L CA 0.987 55.762 54.840 -0.109 0.000 0.791 266 L CB -0.085 41.935 42.059 -0.065 0.000 0.918 266 L HN 0.485 nan 8.230 nan 0.000 0.444 267 Q N -1.140 118.589 119.800 -0.118 0.000 2.389 267 Q HA -0.098 4.246 4.340 0.007 0.000 0.204 267 Q C 1.924 177.887 176.000 -0.062 0.000 0.944 267 Q CA 0.483 56.239 55.803 -0.078 0.000 0.908 267 Q CB 0.309 29.003 28.738 -0.073 0.000 1.002 267 Q HN 0.380 nan 8.270 nan 0.000 0.493 268 Q N 0.188 119.945 119.800 -0.072 0.000 2.424 268 Q HA 0.018 4.363 4.340 0.007 0.000 0.204 268 Q C -0.234 175.718 176.000 -0.079 0.000 0.933 268 Q CA 0.486 56.252 55.803 -0.061 0.000 0.929 268 Q CB 0.595 29.300 28.738 -0.054 0.000 1.037 268 Q HN 0.270 nan 8.270 nan 0.000 0.511 269 E N 0.891 121.033 120.200 -0.096 0.000 2.217 269 E HA 0.061 4.416 4.350 0.007 0.000 0.279 269 E C 0.869 177.423 176.600 -0.077 0.000 1.068 269 E CA -0.007 56.330 56.400 -0.105 0.000 0.882 269 E CB 1.161 30.785 29.700 -0.127 0.000 1.039 269 E HN 0.062 nan 8.360 nan 0.000 0.418 270 S N 3.769 119.428 115.700 -0.069 0.000 2.389 270 S HA -0.269 4.205 4.470 0.007 0.000 0.229 270 S C 0.751 175.324 174.600 -0.046 0.000 1.048 270 S CA 2.081 60.250 58.200 -0.051 0.000 1.117 270 S CB -0.170 63.002 63.200 -0.047 0.000 1.020 270 S HN 0.557 nan 8.310 nan 0.000 0.430 271 N N 0.716 119.386 118.700 -0.051 0.000 2.599 271 N HA 0.530 5.274 4.740 0.007 0.000 0.309 271 N C 0.265 175.742 175.510 -0.054 0.000 1.743 271 N CA 0.148 53.172 53.050 -0.043 0.000 0.918 271 N CB 0.925 39.392 38.487 -0.034 0.000 1.339 271 N HN 0.486 nan 8.380 nan 0.000 0.493 272 G N 0.842 109.599 108.800 -0.071 0.000 2.584 272 G HA2 -0.255 3.709 3.960 0.007 0.000 0.229 272 G HA3 -0.255 3.709 3.960 0.007 0.000 0.229 272 G C -0.611 174.209 174.900 -0.134 0.000 1.320 272 G CA -0.682 44.361 45.100 -0.095 0.000 0.891 272 G HN 0.272 nan 8.290 nan 0.000 0.573 273 I N 2.054 122.506 120.570 -0.197 0.000 2.294 273 I HA 0.356 4.531 4.170 0.007 0.000 0.295 273 I C 1.546 177.580 176.117 -0.138 0.000 1.098 273 I CA 0.661 61.811 61.300 -0.250 0.000 1.277 273 I CB 0.841 38.491 38.000 -0.583 0.000 1.434 273 I HN 0.780 nan 8.210 nan 0.000 0.498 274 T N 0.531 115.032 114.554 -0.088 0.000 3.043 274 T HA 0.564 4.918 4.350 0.007 0.000 0.272 274 T C 0.521 175.209 174.700 -0.020 0.000 0.990 274 T CA 0.088 62.165 62.100 -0.038 0.000 0.897 274 T CB 0.673 69.519 68.868 -0.037 0.000 1.111 274 T HN 0.702 nan 8.240 nan 0.000 0.529 275 G N 1.292 110.072 108.800 -0.033 0.000 2.392 275 G HA2 0.370 4.334 3.960 0.007 0.000 0.260 275 G HA3 0.370 4.334 3.960 0.007 0.000 0.260 275 G C -1.613 173.269 174.900 -0.029 0.000 1.226 275 G CA -0.954 44.139 45.100 -0.012 0.000 0.913 275 G HN 0.281 nan 8.290 nan 0.000 0.483 276 I N 2.518 123.076 120.570 -0.020 0.000 2.664 276 I HA 0.113 4.288 4.170 0.007 0.000 0.284 276 I C 0.829 176.858 176.117 -0.146 0.000 1.154 276 I CA 0.267 61.559 61.300 -0.013 0.000 1.402 276 I CB -0.310 37.710 38.000 0.033 0.000 1.395 276 I HN 0.236 nan 8.210 nan 0.000 0.545 277 L N 7.357 128.372 121.223 -0.347 0.000 2.476 277 L HA 0.092 4.436 4.340 0.007 0.000 0.264 277 L C 1.091 177.548 176.870 -0.688 0.000 1.224 277 L CA -0.290 54.145 54.840 -0.675 0.000 0.821 277 L CB 0.023 41.369 42.059 -1.188 0.000 1.101 277 L HN 0.500 nan 8.230 nan 0.000 0.488 278 K N 2.116 122.201 120.400 -0.525 0.000 2.307 278 K HA 0.117 4.441 4.320 0.007 0.000 0.240 278 K C -1.012 175.393 176.600 -0.325 0.000 1.214 278 K CA -0.104 55.985 56.287 -0.329 0.000 1.149 278 K CB -0.247 32.117 32.500 -0.226 0.000 1.668 278 K HN 0.348 nan 8.250 nan 0.000 0.314 279 W N 1.258 122.484 121.300 -0.123 0.000 2.223 279 W HA 0.025 4.689 4.660 0.007 0.000 0.334 279 W C 0.406 176.699 176.519 -0.375 0.000 1.334 279 W CA -0.786 56.459 57.345 -0.168 0.000 1.246 279 W CB 0.478 29.949 29.460 0.018 0.000 1.184 279 W HN 0.020 nan 8.180 nan 0.000 0.563 280 V N 4.513 124.259 119.914 -0.281 0.000 2.357 280 V HA 0.142 4.266 4.120 0.007 0.000 0.284 280 V C 0.247 176.085 176.094 -0.427 0.000 1.018 280 V CA -1.506 60.487 62.300 -0.511 0.000 0.841 280 V CB 1.018 32.252 31.823 -0.981 0.000 0.991 280 V HN 0.407 nan 8.190 nan 0.000 0.437 281 K N 4.555 124.645 120.400 -0.517 0.000 2.199 281 K HA 0.066 4.390 4.320 0.007 0.000 0.226 281 K C 0.889 177.352 176.600 -0.228 0.000 1.237 281 K CA -0.234 55.689 56.287 -0.607 0.000 1.170 281 K CB 0.203 32.248 32.500 -0.760 0.000 1.418 281 K HN 0.482 nan 8.250 nan 0.000 0.255 282 L N 2.117 123.282 121.223 -0.096 0.000 1.933 282 L HA -0.135 4.209 4.340 0.007 0.000 0.220 282 L C 0.747 177.550 176.870 -0.112 0.000 1.078 282 L CA 1.901 56.680 54.840 -0.101 0.000 0.773 282 L CB 0.086 42.031 42.059 -0.191 0.000 0.890 282 L HN 0.408 nan 8.230 nan 0.000 0.434 283 I N 1.087 121.568 120.570 -0.148 0.000 2.347 283 I HA 0.145 4.319 4.170 0.007 0.000 0.283 283 I C -0.429 175.638 176.117 -0.083 0.000 1.058 283 I CA -0.147 61.037 61.300 -0.193 0.000 1.202 283 I CB 0.263 37.961 38.000 -0.504 0.000 1.386 283 I HN 0.209 nan 8.210 nan 0.000 0.475 284 D N 5.830 126.198 120.400 -0.053 0.000 3.168 284 D HA 0.176 4.820 4.640 0.007 0.000 0.255 284 D C -0.125 176.089 176.300 -0.144 0.000 1.314 284 D CA 0.093 54.079 54.000 -0.024 0.000 0.900 284 D CB 0.084 40.871 40.800 -0.021 0.000 1.072 284 D HN 0.731 nan 8.370 nan 0.000 0.487 285 N N -2.285 116.255 118.700 -0.265 0.000 3.116 285 N HA 0.259 5.003 4.740 0.007 0.000 0.244 285 N C -1.201 174.065 175.510 -0.407 0.000 1.485 285 N CA -0.792 52.069 53.050 -0.315 0.000 0.884 285 N CB 0.258 38.693 38.487 -0.086 0.000 1.415 285 N HN -0.146 nan 8.380 nan 0.000 0.524 286 F N -0.904 119.033 119.950 -0.023 0.000 2.928 286 F HA 0.401 4.932 4.527 0.007 0.000 0.337 286 F C 1.157 176.957 175.800 -0.001 0.000 1.259 286 F CA -0.432 57.542 58.000 -0.043 0.000 1.267 286 F CB 0.754 39.710 39.000 -0.073 0.000 0.986 286 F HN 0.598 nan 8.300 nan 0.000 0.507 287 E N 0.547 120.841 120.200 0.156 0.000 2.318 287 E HA 0.201 4.555 4.350 0.007 0.000 0.193 287 E C 1.060 177.684 176.600 0.041 0.000 0.998 287 E CA 0.232 56.688 56.400 0.095 0.000 0.859 287 E CB 0.474 30.215 29.700 0.068 0.000 0.812 287 E HN 0.439 nan 8.360 nan 0.000 0.492 288 G N -0.371 108.471 108.800 0.070 0.000 2.646 288 G HA2 0.241 4.205 3.960 0.007 0.000 0.291 288 G HA3 0.241 4.205 3.960 0.007 0.000 0.291 288 G C -1.619 173.184 174.900 -0.162 0.000 1.445 288 G CA -0.754 44.280 45.100 -0.109 0.000 0.814 288 G HN -0.001 nan 8.290 nan 0.000 0.495 289 E N -0.462 119.581 120.200 -0.262 0.000 2.301 289 E HA 0.493 4.847 4.350 0.007 0.000 0.275 289 E C -1.275 175.061 176.600 -0.441 0.000 1.030 289 E CA -0.536 55.770 56.400 -0.157 0.000 0.852 289 E CB 0.929 30.636 29.700 0.012 0.000 1.060 289 E HN 0.390 nan 8.360 nan 0.000 0.401 290 Y N 2.408 122.717 120.300 0.016 0.000 2.488 290 Y HA 0.179 4.733 4.550 0.007 0.000 0.330 290 Y C -0.678 175.327 175.900 0.175 0.000 1.013 290 Y CA -1.073 57.022 58.100 -0.008 0.000 1.304 290 Y CB 1.191 39.464 38.460 -0.312 0.000 1.098 290 Y HN 0.438 nan 8.280 nan 0.000 0.498 291 D N 2.074 122.678 120.400 0.340 0.000 2.317 291 D HA 0.092 4.736 4.640 0.007 0.000 0.234 291 D C -0.803 175.751 176.300 0.423 0.000 1.112 291 D CA -0.502 53.697 54.000 0.333 0.000 0.840 291 D CB 0.489 41.402 40.800 0.188 0.000 1.078 291 D HN 0.390 nan 8.370 nan 0.000 0.486 292 Y N 4.106 124.594 120.300 0.314 0.000 2.632 292 Y HA 0.146 4.700 4.550 0.007 0.000 0.329 292 Y C 0.279 176.191 175.900 0.020 0.000 1.174 292 Y CA 0.288 58.451 58.100 0.104 0.000 1.469 292 Y CB 0.661 39.210 38.460 0.149 0.000 1.242 292 Y HN 0.311 nan 8.280 nan 0.000 0.540 293 V N 3.852 123.345 119.914 -0.702 0.000 2.735 293 V HA 0.177 4.302 4.120 0.007 0.000 0.234 293 V C 0.544 176.116 176.094 -0.871 0.000 1.121 293 V CA 1.214 63.181 62.300 -0.556 0.000 1.160 293 V CB 0.458 32.096 31.823 -0.307 0.000 0.908 293 V HN 0.824 nan 8.190 nan 0.000 0.495 294 T N 0.201 114.166 114.554 -0.982 0.000 2.693 294 T HA 0.381 4.735 4.350 0.007 0.000 0.304 294 T C -2.276 172.073 174.700 -0.585 0.000 1.471 294 T CA -0.517 61.152 62.100 -0.718 0.000 0.993 294 T CB 1.697 70.365 68.868 -0.334 0.000 1.554 294 T HN 0.568 nan 8.240 nan 0.000 0.496 295 N N 1.210 119.647 118.700 -0.438 0.000 2.396 295 N HA 0.391 5.135 4.740 0.007 0.000 0.275 295 N C -1.872 173.379 175.510 -0.431 0.000 1.218 295 N CA -0.668 51.977 53.050 -0.675 0.000 0.812 295 N CB 2.295 39.861 38.487 -1.536 0.000 1.592 295 N HN 0.450 nan 8.380 nan 0.000 0.480 296 E N 0.829 120.790 120.200 -0.398 0.000 2.267 296 E HA 0.411 4.766 4.350 0.007 0.000 0.248 296 E C 0.713 177.190 176.600 -0.205 0.000 0.899 296 E CA -0.031 56.235 56.400 -0.224 0.000 0.764 296 E CB 0.917 30.523 29.700 -0.157 0.000 1.227 296 E HN 0.999 nan 8.360 nan 0.000 0.421 297 G N 3.025 111.735 108.800 -0.149 0.000 2.556 297 G HA2 -0.390 3.574 3.960 0.007 0.000 0.283 297 G HA3 -0.390 3.574 3.960 0.007 0.000 0.283 297 G C 0.860 175.693 174.900 -0.112 0.000 1.177 297 G CA 0.588 45.650 45.100 -0.063 0.000 0.978 297 G HN 0.562 nan 8.290 nan 0.000 0.554 298 T N -1.514 113.013 114.554 -0.045 0.000 3.144 298 T HA 0.498 4.852 4.350 0.007 0.000 0.249 298 T C 0.637 175.250 174.700 -0.146 0.000 1.089 298 T CA 0.888 62.963 62.100 -0.043 0.000 0.989 298 T CB 0.254 69.186 68.868 0.107 0.000 0.992 298 T HN 1.020 nan 8.240 nan 0.000 0.540 299 V N 2.747 122.539 119.914 -0.203 0.000 2.348 299 V HA 0.450 4.575 4.120 0.007 0.000 0.270 299 V C -0.669 175.228 176.094 -0.328 0.000 1.037 299 V CA -0.886 61.319 62.300 -0.158 0.000 0.872 299 V CB -0.241 31.521 31.823 -0.102 0.000 1.002 299 V HN 0.359 nan 8.190 nan 0.000 0.464 300 F N 2.403 122.109 119.950 -0.408 0.000 2.421 300 F HA 0.502 5.033 4.527 0.007 0.000 0.337 300 F C 0.891 176.441 175.800 -0.418 0.000 1.105 300 F CA -0.398 57.316 58.000 -0.477 0.000 1.049 300 F CB 1.809 40.439 39.000 -0.617 0.000 1.139 300 F HN 0.295 nan 8.300 nan 0.000 0.479 301 T N 4.498 118.801 114.554 -0.418 0.000 2.767 301 T HA 0.563 4.917 4.350 0.007 0.000 0.284 301 T C -0.907 173.511 174.700 -0.469 0.000 0.973 301 T CA -0.277 61.642 62.100 -0.301 0.000 0.996 301 T CB 0.099 68.820 68.868 -0.244 0.000 0.927 301 T HN 0.184 nan 8.240 nan 0.000 0.456 302 F N 1.693 121.651 119.950 0.013 0.000 2.551 302 F HA 0.512 5.043 4.527 0.007 0.000 0.316 302 F C 0.383 176.200 175.800 0.027 0.000 1.089 302 F CA -1.255 56.778 58.000 0.054 0.000 0.915 302 F CB 1.903 40.975 39.000 0.119 0.000 1.186 302 F HN 0.270 nan 8.300 nan 0.000 0.456 303 K N 1.632 122.165 120.400 0.221 0.000 2.227 303 K HA 0.531 4.855 4.320 0.007 0.000 0.280 303 K C -0.668 176.025 176.600 0.155 0.000 1.041 303 K CA -0.054 56.316 56.287 0.139 0.000 0.905 303 K CB 1.263 33.812 32.500 0.082 0.000 1.068 303 K HN 0.774 nan 8.250 nan 0.000 0.470 304 T N 1.573 116.188 114.554 0.102 0.000 2.883 304 T HA 0.292 4.647 4.350 0.007 0.000 0.296 304 T C -0.412 174.239 174.700 -0.081 0.000 1.117 304 T CA -0.807 61.249 62.100 -0.073 0.000 1.006 304 T CB 0.852 69.570 68.868 -0.250 0.000 1.191 304 T HN 0.799 nan 8.240 nan 0.000 0.508 305 N N 1.005 119.530 118.700 -0.292 0.000 2.238 305 N HA 0.138 4.882 4.740 0.007 0.000 0.235 305 N C -0.036 175.278 175.510 -0.328 0.000 1.209 305 N CA -0.519 52.229 53.050 -0.503 0.000 0.879 305 N CB -0.050 37.919 38.487 -0.864 0.000 1.136 305 N HN 0.383 nan 8.380 nan 0.000 0.517 306 R N 1.373 121.703 120.500 -0.284 0.000 2.399 306 R HA 0.059 4.404 4.340 0.007 0.000 0.324 306 R C -0.243 175.945 176.300 -0.187 0.000 1.030 306 R CA 0.399 56.325 56.100 -0.290 0.000 0.984 306 R CB -0.878 29.295 30.300 -0.212 0.000 0.961 306 R HN 0.243 nan 8.270 nan 0.000 0.433 307 H N 0.897 119.949 119.070 -0.030 0.000 3.047 307 H HA -0.158 4.402 4.556 0.007 0.000 0.263 307 H C -0.911 174.401 175.328 -0.026 0.000 1.168 307 H CA 1.324 57.363 56.048 -0.015 0.000 1.152 307 H CB -1.767 28.002 29.762 0.012 0.000 1.278 307 H HN 0.547 nan 8.280 nan 0.000 0.339 308 S N 0.025 115.726 115.700 0.003 0.000 2.312 308 S HA 0.270 4.744 4.470 0.007 0.000 0.173 308 S C -1.844 172.653 174.600 -0.172 0.000 1.488 308 S CA -0.792 57.387 58.200 -0.035 0.000 1.239 308 S CB 2.490 65.682 63.200 -0.013 0.000 1.215 308 S HN -0.058 nan 8.310 nan 0.000 0.438 309 P HA -0.067 nan 4.420 nan 0.000 0.221 309 P C 0.524 177.767 177.300 -0.096 0.000 1.145 309 P CA 1.167 64.192 63.100 -0.124 0.000 0.795 309 P CB 0.004 31.708 31.700 0.006 0.000 0.775 310 N N -2.963 115.751 118.700 0.023 0.000 2.203 310 N HA 0.085 4.829 4.740 0.007 0.000 0.207 310 N C -0.778 174.957 175.510 0.375 0.000 1.130 310 N CA -0.151 53.039 53.050 0.233 0.000 0.861 310 N CB 0.214 38.831 38.487 0.218 0.000 1.005 310 N HN 0.041 nan 8.380 nan 0.000 0.507 311 Y N 0.616 120.939 120.300 0.038 0.000 2.510 311 Y HA -0.339 4.215 4.550 0.007 0.000 0.021 311 Y C 0.324 176.234 175.900 0.017 0.000 1.705 311 Y CA -0.041 58.062 58.100 0.005 0.000 1.417 311 Y CB -0.370 38.068 38.460 -0.036 0.000 2.062 311 Y HN 0.235 nan 8.280 nan 0.000 0.254 312 R N -0.010 120.585 120.500 0.159 0.000 2.756 312 R HA 0.845 5.189 4.340 0.007 0.000 0.273 312 R C -2.299 174.047 176.300 0.077 0.000 1.030 312 R CA -1.245 54.915 56.100 0.100 0.000 0.887 312 R CB 1.192 31.553 30.300 0.101 0.000 1.274 312 R HN 0.593 nan 8.270 nan 0.000 0.461 313 L N 1.742 122.998 121.223 0.054 0.000 2.317 313 L HA 0.650 4.994 4.340 0.007 0.000 0.281 313 L C -0.358 176.566 176.870 0.090 0.000 1.024 313 L CA -0.995 53.876 54.840 0.053 0.000 0.810 313 L CB 1.673 43.729 42.059 -0.004 0.000 1.240 313 L HN 0.611 nan 8.230 nan 0.000 0.427 314 I N -0.557 120.086 120.570 0.122 0.000 2.802 314 I HA 0.498 4.672 4.170 0.007 0.000 0.298 314 I C -1.027 175.173 176.117 0.139 0.000 1.176 314 I CA -0.624 60.766 61.300 0.150 0.000 1.025 314 I CB 2.145 40.267 38.000 0.202 0.000 1.243 314 I HN 0.428 nan 8.210 nan 0.000 0.424 315 N N 4.440 123.212 118.700 0.121 0.000 2.399 315 N HA 0.708 5.452 4.740 0.007 0.000 0.295 315 N C -1.302 174.257 175.510 0.082 0.000 1.048 315 N CA -0.699 52.406 53.050 0.092 0.000 0.886 315 N CB 2.092 40.615 38.487 0.059 0.000 1.185 315 N HN 0.466 nan 8.380 nan 0.000 0.487 316 I N 0.924 121.548 120.570 0.090 0.000 2.465 316 I HA 0.168 4.342 4.170 0.007 0.000 0.291 316 I C -0.795 175.408 176.117 0.145 0.000 1.014 316 I CA -0.692 60.628 61.300 0.035 0.000 1.093 316 I CB 1.924 39.858 38.000 -0.110 0.000 1.267 316 I HN 0.380 nan 8.210 nan 0.000 0.431 317 D N 5.772 126.287 120.400 0.191 0.000 2.317 317 D HA 0.239 4.883 4.640 0.007 0.000 0.234 317 D C 0.732 177.211 176.300 0.297 0.000 1.112 317 D CA -0.105 53.999 54.000 0.173 0.000 0.840 317 D CB 0.896 41.790 40.800 0.156 0.000 1.078 317 D HN 0.404 nan 8.370 nan 0.000 0.486 318 F N 1.203 121.170 119.950 0.029 0.000 2.494 318 F HA -0.168 4.363 4.527 0.007 0.000 0.298 318 F C 2.349 178.185 175.800 0.060 0.000 1.106 318 F CA 0.764 58.730 58.000 -0.056 0.000 1.452 318 F CB 0.313 39.152 39.000 -0.268 0.000 1.085 318 F HN 0.392 nan 8.300 nan 0.000 0.569 319 T N -4.231 110.482 114.554 0.265 0.000 3.107 319 T HA -0.012 4.342 4.350 0.007 0.000 0.249 319 T C 0.132 174.929 174.700 0.162 0.000 1.096 319 T CA 0.291 62.508 62.100 0.195 0.000 1.012 319 T CB 0.069 69.032 68.868 0.158 0.000 0.977 319 T HN 0.030 nan 8.240 nan 0.000 0.527 320 D N 0.938 121.448 120.400 0.183 0.000 2.934 320 D HA 0.309 4.953 4.640 0.007 0.000 0.249 320 D C -2.438 173.997 176.300 0.224 0.000 1.293 320 D CA -1.486 52.614 54.000 0.166 0.000 0.812 320 D CB 1.219 42.105 40.800 0.144 0.000 1.439 320 D HN -0.021 nan 8.370 nan 0.000 0.555 321 P HA -0.052 nan 4.420 nan 0.000 0.226 321 P C -0.216 177.303 177.300 0.366 0.000 1.153 321 P CA 0.420 63.704 63.100 0.306 0.000 0.777 321 P CB 0.147 31.957 31.700 0.183 0.000 0.794 322 E N 0.761 121.070 120.200 0.181 0.000 2.652 322 E HA -0.171 4.183 4.350 0.007 0.000 0.255 322 E C 1.159 177.662 176.600 -0.161 0.000 0.952 322 E CA 0.220 56.640 56.400 0.034 0.000 0.947 322 E CB 0.326 30.030 29.700 0.007 0.000 0.912 322 E HN 0.348 nan 8.360 nan 0.000 0.489 323 E N 2.783 122.683 120.200 -0.500 0.000 2.114 323 E HA -0.271 4.083 4.350 0.007 0.000 0.199 323 E C 1.766 177.916 176.600 -0.751 0.000 1.008 323 E CA 1.627 57.237 56.400 -1.317 0.000 0.810 323 E CB -0.009 29.083 29.700 -1.014 0.000 0.739 323 E HN 0.505 nan 8.360 nan 0.000 0.456 324 S N -0.408 115.084 115.700 -0.347 0.000 2.571 324 S HA -0.110 4.364 4.470 0.007 0.000 0.245 324 S C 0.992 175.545 174.600 -0.078 0.000 0.976 324 S CA 0.839 58.937 58.200 -0.169 0.000 0.954 324 S CB -0.109 63.033 63.200 -0.097 0.000 0.756 324 S HN 0.258 nan 8.310 nan 0.000 0.535 325 K N -0.460 119.906 120.400 -0.057 0.000 2.483 325 K HA 0.154 4.478 4.320 0.007 0.000 0.206 325 K C -0.835 175.946 176.600 0.301 0.000 1.086 325 K CA -0.446 55.910 56.287 0.115 0.000 1.052 325 K CB 0.226 32.812 32.500 0.143 0.000 0.904 325 K HN 0.338 nan 8.250 nan 0.000 0.557 326 W N 3.290 124.642 121.300 0.087 0.000 2.216 326 W HA 0.242 4.906 4.660 0.007 0.000 0.326 326 W C 0.689 177.264 176.519 0.095 0.000 1.319 326 W CA -1.008 56.401 57.345 0.108 0.000 1.213 326 W CB 0.225 29.762 29.460 0.128 0.000 1.171 326 W HN -0.150 nan 8.180 nan 0.000 0.557 327 K N 2.367 122.952 120.400 0.307 0.000 2.185 327 K HA 0.439 4.764 4.320 0.007 0.000 0.269 327 K C -0.992 175.717 176.600 0.182 0.000 0.987 327 K CA -0.487 55.918 56.287 0.196 0.000 0.865 327 K CB 1.244 33.827 32.500 0.138 0.000 1.090 327 K HN 0.231 nan 8.250 nan 0.000 0.450 328 V N 6.674 126.680 119.914 0.153 0.000 2.389 328 V HA 0.011 4.135 4.120 0.007 0.000 0.264 328 V C 1.222 177.373 176.094 0.097 0.000 1.049 328 V CA -0.306 62.074 62.300 0.133 0.000 0.932 328 V CB 0.710 32.605 31.823 0.121 0.000 1.011 328 V HN 0.824 nan 8.190 nan 0.000 0.475 329 L N 6.404 127.677 121.223 0.083 0.000 2.049 329 L HA 0.189 4.533 4.340 0.007 0.000 0.203 329 L C 0.790 177.694 176.870 0.056 0.000 1.074 329 L CA 1.844 56.719 54.840 0.060 0.000 0.749 329 L CB 0.411 42.492 42.059 0.038 0.000 0.907 329 L HN 0.462 nan 8.230 nan 0.000 0.439 330 V N 1.205 121.145 119.914 0.043 0.000 2.357 330 V HA 0.370 4.494 4.120 0.007 0.000 0.281 330 V C -2.286 173.848 176.094 0.067 0.000 1.015 330 V CA -1.662 60.660 62.300 0.037 0.000 0.827 330 V CB 0.891 32.679 31.823 -0.059 0.000 1.018 330 V HN 0.109 nan 8.190 nan 0.000 0.432 331 P HA 0.043 nan 4.420 nan 0.000 0.269 331 P C -0.003 177.361 177.300 0.106 0.000 1.217 331 P CA -0.055 63.093 63.100 0.080 0.000 0.783 331 P CB 0.602 32.336 31.700 0.056 0.000 0.898 332 E N 1.885 122.149 120.200 0.106 0.000 2.392 332 E HA -0.044 4.310 4.350 0.007 0.000 0.264 332 E C -0.318 176.374 176.600 0.154 0.000 1.024 332 E CA -0.306 56.181 56.400 0.146 0.000 0.903 332 E CB 0.325 30.095 29.700 0.116 0.000 0.963 332 E HN 0.446 nan 8.360 nan 0.000 0.432 333 H N 2.499 121.659 119.070 0.150 0.000 2.562 333 H HA 0.015 4.575 4.556 0.007 0.000 0.352 333 H C 0.506 175.888 175.328 0.089 0.000 1.125 333 H CA 0.405 56.518 56.048 0.108 0.000 1.379 333 H CB 1.382 31.217 29.762 0.121 0.000 1.464 333 H HN 0.756 nan 8.280 nan 0.000 0.563 334 E N 2.187 122.434 120.200 0.078 0.000 2.274 334 E HA -0.091 4.263 4.350 0.007 0.000 0.194 334 E C 0.849 177.584 176.600 0.224 0.000 0.996 334 E CA 0.868 57.336 56.400 0.115 0.000 0.840 334 E CB 0.524 30.230 29.700 0.009 0.000 0.772 334 E HN 0.230 nan 8.360 nan 0.000 0.491 335 K N 0.178 120.849 120.400 0.450 0.000 2.494 335 K HA 0.148 4.472 4.320 0.007 0.000 0.201 335 K C -0.542 176.157 176.600 0.165 0.000 1.338 335 K CA 0.160 56.605 56.287 0.263 0.000 0.935 335 K CB 0.204 32.828 32.500 0.207 0.000 1.514 335 K HN -0.040 nan 8.250 nan 0.000 0.490 336 D N 1.142 121.514 120.400 -0.047 0.000 2.443 336 D HA 0.054 4.698 4.640 0.007 0.000 0.239 336 D C -0.430 175.968 176.300 0.163 0.000 1.136 336 D CA 0.143 54.081 54.000 -0.103 0.000 0.879 336 D CB 0.952 41.422 40.800 -0.550 0.000 1.195 336 D HN -0.194 nan 8.370 nan 0.000 0.443 337 V N 2.658 122.658 119.914 0.143 0.000 2.394 337 V HA 0.121 4.245 4.120 0.007 0.000 0.282 337 V C 0.233 176.327 176.094 0.001 0.000 1.031 337 V CA -0.985 61.388 62.300 0.123 0.000 0.881 337 V CB 1.454 33.297 31.823 0.033 0.000 0.982 337 V HN 0.323 nan 8.190 nan 0.000 0.451 338 L N 4.962 126.104 121.223 -0.135 0.000 2.385 338 L HA 0.285 4.629 4.340 0.007 0.000 0.285 338 L C 1.346 177.925 176.870 -0.485 0.000 1.125 338 L CA 0.770 55.261 54.840 -0.582 0.000 0.890 338 L CB -0.336 41.407 42.059 -0.528 0.000 1.251 338 L HN 0.708 nan 8.230 nan 0.000 0.445 339 E N 4.934 124.847 120.200 -0.478 0.000 2.013 339 E HA -0.118 4.236 4.350 0.007 0.000 0.202 339 E C -0.313 176.157 176.600 -0.217 0.000 1.018 339 E CA 2.103 58.292 56.400 -0.352 0.000 0.834 339 E CB 0.039 29.533 29.700 -0.344 0.000 0.770 339 E HN 0.759 nan 8.360 nan 0.000 0.459 340 W N -1.671 119.466 121.300 -0.271 0.000 3.042 340 W HA 0.593 5.257 4.660 0.007 0.000 0.342 340 W C -1.327 175.046 176.519 -0.243 0.000 1.240 340 W CA -0.796 56.412 57.345 -0.228 0.000 1.166 340 W CB 0.692 30.052 29.460 -0.167 0.000 1.469 340 W HN -0.331 nan 8.180 nan 0.000 0.579 341 V N 1.012 121.049 119.914 0.205 0.000 2.925 341 V HA 0.863 4.987 4.120 0.007 0.000 0.311 341 V C -0.340 175.855 176.094 0.168 0.000 1.104 341 V CA -0.798 61.545 62.300 0.071 0.000 0.954 341 V CB 1.155 32.948 31.823 -0.051 0.000 1.022 341 V HN 0.898 nan 8.190 nan 0.000 0.427 342 A N 1.782 124.682 122.820 0.134 0.000 2.498 342 A HA 0.811 5.135 4.320 0.007 0.000 0.298 342 A C -1.024 176.643 177.584 0.137 0.000 1.075 342 A CA -0.499 51.630 52.037 0.154 0.000 0.714 342 A CB 1.880 21.014 19.000 0.223 0.000 1.299 342 A HN 1.104 nan 8.150 nan 0.000 0.407 343 C N 1.703 121.079 119.300 0.127 0.000 2.322 343 C HA 0.835 5.299 4.460 0.007 0.000 0.324 343 C C -0.573 174.522 174.990 0.176 0.000 1.284 343 C CA -0.170 58.914 59.018 0.111 0.000 1.606 343 C CB -0.030 27.715 27.740 0.008 0.000 2.251 343 C HN 1.187 nan 8.230 nan 0.000 0.502 344 V N 7.184 127.233 119.914 0.225 0.000 2.971 344 V HA 0.703 4.827 4.120 0.007 0.000 0.309 344 V C 0.090 176.332 176.094 0.247 0.000 1.130 344 V CA -0.484 61.962 62.300 0.242 0.000 0.964 344 V CB 1.814 33.822 31.823 0.308 0.000 1.029 344 V HN 1.007 nan 8.190 nan 0.000 0.427 345 R N 3.605 124.214 120.500 0.181 0.000 3.332 345 R HA -0.170 4.174 4.340 0.007 0.000 0.263 345 R C 0.965 177.260 176.300 -0.008 0.000 1.053 345 R CA 0.937 57.115 56.100 0.129 0.000 0.705 345 R CB -1.699 28.771 30.300 0.283 0.000 1.166 345 R HN 1.359 nan 8.270 nan 0.000 0.427 346 S N -1.520 114.182 115.700 0.003 0.000 1.706 346 S HA -0.313 4.161 4.470 0.007 0.000 0.229 346 S C 0.626 175.172 174.600 -0.091 0.000 0.861 346 S CA 2.224 60.396 58.200 -0.046 0.000 1.488 346 S CB -0.781 62.377 63.200 -0.069 0.000 1.943 346 S HN 0.868 nan 8.310 nan 0.000 0.533 347 N N -0.486 118.097 118.700 -0.195 0.000 2.377 347 N HA 0.375 5.120 4.740 0.007 0.000 0.259 347 N C -0.613 174.770 175.510 -0.213 0.000 1.332 347 N CA -0.209 52.712 53.050 -0.215 0.000 0.877 347 N CB 0.418 38.748 38.487 -0.262 0.000 1.299 347 N HN 0.410 nan 8.380 nan 0.000 0.501 348 F N 1.195 121.170 119.950 0.042 0.000 2.480 348 F HA 0.537 5.068 4.527 0.007 0.000 0.329 348 F C -0.139 175.703 175.800 0.070 0.000 1.091 348 F CA -1.075 56.963 58.000 0.063 0.000 0.972 348 F CB 1.956 41.008 39.000 0.086 0.000 1.150 348 F HN -0.163 nan 8.300 nan 0.000 0.467 349 L N 3.687 125.102 121.223 0.321 0.000 2.362 349 L HA 0.550 4.894 4.340 0.007 0.000 0.275 349 L C -1.103 175.860 176.870 0.156 0.000 0.998 349 L CA -1.051 53.896 54.840 0.179 0.000 0.820 349 L CB 2.080 44.203 42.059 0.108 0.000 1.270 349 L HN 0.249 nan 8.230 nan 0.000 0.415 350 V N 4.797 124.770 119.914 0.099 0.000 2.311 350 V HA 0.362 4.486 4.120 0.007 0.000 0.275 350 V C 0.089 176.095 176.094 -0.147 0.000 1.022 350 V CA -0.426 61.889 62.300 0.024 0.000 0.830 350 V CB 1.155 33.000 31.823 0.037 0.000 1.012 350 V HN 0.477 nan 8.190 nan 0.000 0.452 351 L N 4.335 125.453 121.223 -0.176 0.000 2.282 351 L HA 0.509 4.853 4.340 0.007 0.000 0.288 351 L C -0.151 176.410 176.870 -0.516 0.000 1.033 351 L CA -0.155 54.465 54.840 -0.367 0.000 0.807 351 L CB 1.611 43.504 42.059 -0.277 0.000 1.209 351 L HN 0.693 nan 8.230 nan 0.000 0.423 352 C N 4.399 123.139 119.300 -0.933 0.000 2.281 352 C HA 0.565 5.029 4.460 0.007 0.000 0.323 352 C C -0.172 174.395 174.990 -0.705 0.000 1.270 352 C CA -0.405 58.029 59.018 -0.973 0.000 1.559 352 C CB -0.289 26.258 27.740 -1.989 0.000 2.239 352 C HN 0.643 nan 8.230 nan 0.000 0.488 353 Y N 3.481 123.557 120.300 -0.375 0.000 2.488 353 Y HA 0.685 5.239 4.550 0.007 0.000 0.325 353 Y C -0.006 175.783 175.900 -0.186 0.000 1.204 353 Y CA -0.803 57.146 58.100 -0.253 0.000 1.229 353 Y CB 1.235 39.577 38.460 -0.196 0.000 1.274 353 Y HN 0.498 nan 8.280 nan 0.000 0.493 354 L N 1.993 123.243 121.223 0.045 0.000 2.318 354 L HA 0.311 4.655 4.340 0.007 0.000 0.277 354 L C -1.371 175.501 176.870 0.004 0.000 1.008 354 L CA -0.388 54.445 54.840 -0.012 0.000 0.846 354 L CB 0.227 42.232 42.059 -0.090 0.000 1.220 354 L HN 0.609 nan 8.230 nan 0.000 0.423 355 H N 4.268 123.298 119.070 -0.068 0.000 2.673 355 H HA 0.335 4.896 4.556 0.007 0.000 0.293 355 H C -0.622 174.685 175.328 -0.035 0.000 1.065 355 H CA -0.301 55.699 56.048 -0.080 0.000 1.236 355 H CB 0.314 30.024 29.762 -0.087 0.000 1.389 355 H HN 0.600 nan 8.280 nan 0.000 0.481 356 D N 4.559 124.739 120.400 -0.366 0.000 2.737 356 D HA -0.181 4.463 4.640 0.007 0.000 0.238 356 D C 0.341 176.569 176.300 -0.119 0.000 1.157 356 D CA 1.182 55.049 54.000 -0.222 0.000 0.694 356 D CB -1.102 39.599 40.800 -0.165 0.000 1.021 356 D HN 0.623 nan 8.370 nan 0.000 0.420 357 V N -2.201 117.599 119.914 -0.191 0.000 3.774 357 V HA -0.370 3.754 4.120 0.007 0.000 0.216 357 V C 0.762 176.938 176.094 0.137 0.000 0.441 357 V CA 2.053 64.335 62.300 -0.029 0.000 0.985 357 V CB -1.727 30.114 31.823 0.031 0.000 1.085 357 V HN 0.503 nan 8.190 nan 0.000 1.240 358 K N -0.019 120.444 120.400 0.104 0.000 2.375 358 K HA 0.621 4.945 4.320 0.007 0.000 0.249 358 K C -0.128 176.540 176.600 0.113 0.000 0.942 358 K CA -0.701 55.677 56.287 0.152 0.000 0.806 358 K CB 2.017 34.643 32.500 0.209 0.000 1.227 358 K HN 0.382 nan 8.250 nan 0.000 0.430 359 N N 0.028 118.799 118.700 0.117 0.000 2.508 359 N HA 0.395 5.139 4.740 0.007 0.000 0.285 359 N C -1.217 174.339 175.510 0.076 0.000 1.144 359 N CA -0.302 52.798 53.050 0.082 0.000 0.978 359 N CB 1.326 39.875 38.487 0.103 0.000 1.180 359 N HN 0.556 nan 8.380 nan 0.000 0.484 360 T N -1.159 113.403 114.554 0.014 0.000 2.956 360 T HA 0.443 4.797 4.350 0.007 0.000 0.312 360 T C -1.123 173.539 174.700 -0.063 0.000 1.151 360 T CA -0.840 61.250 62.100 -0.015 0.000 1.024 360 T CB 0.706 69.547 68.868 -0.044 0.000 1.140 360 T HN 0.161 nan 8.240 nan 0.000 0.473 361 L N 2.580 123.763 121.223 -0.067 0.000 2.341 361 L HA 0.583 4.927 4.340 0.007 0.000 0.278 361 L C -0.350 176.504 176.870 -0.027 0.000 1.005 361 L CA -0.751 54.039 54.840 -0.082 0.000 0.818 361 L CB 1.910 43.891 42.059 -0.131 0.000 1.259 361 L HN 0.792 nan 8.230 nan 0.000 0.418 362 Q N 3.405 123.187 119.800 -0.031 0.000 2.389 362 Q HA 0.525 4.869 4.340 0.007 0.000 0.277 362 Q C -1.437 174.541 176.000 -0.036 0.000 1.082 362 Q CA -1.011 54.730 55.803 -0.102 0.000 0.810 362 Q CB 3.370 32.118 28.738 0.016 0.000 1.374 362 Q HN 0.337 nan 8.270 nan 0.000 0.422 363 L N 2.084 123.172 121.223 -0.225 0.000 2.272 363 L HA 0.394 4.738 4.340 0.007 0.000 0.289 363 L C -0.915 175.885 176.870 -0.116 0.000 1.032 363 L CA 0.025 54.779 54.840 -0.144 0.000 0.810 363 L CB 0.593 42.438 42.059 -0.357 0.000 1.205 363 L HN 0.610 nan 8.230 nan 0.000 0.422 364 H N 1.800 120.871 119.070 0.001 0.000 2.710 364 H HA 0.302 4.862 4.556 0.007 0.000 0.361 364 H C -1.267 174.156 175.328 0.158 0.000 1.175 364 H CA -0.795 55.284 56.048 0.051 0.000 1.206 364 H CB 2.223 32.010 29.762 0.041 0.000 1.750 364 H HN 0.528 nan 8.280 nan 0.000 0.553 365 D N 1.187 121.732 120.400 0.241 0.000 2.232 365 D HA 0.036 4.680 4.640 0.007 0.000 0.242 365 D C 0.830 177.205 176.300 0.125 0.000 1.093 365 D CA -0.505 53.609 54.000 0.190 0.000 0.845 365 D CB 1.177 42.047 40.800 0.116 0.000 1.124 365 D HN 0.244 nan 8.370 nan 0.000 0.467 366 L N 5.036 126.301 121.223 0.070 0.000 1.989 366 L HA -0.029 4.315 4.340 0.007 0.000 0.211 366 L C 2.056 178.929 176.870 0.006 0.000 1.071 366 L CA 2.421 57.273 54.840 0.020 0.000 0.749 366 L CB -0.904 41.138 42.059 -0.028 0.000 0.890 366 L HN 0.626 nan 8.230 nan 0.000 0.431 367 A N -1.232 121.584 122.820 -0.006 0.000 1.869 367 A HA -0.301 4.023 4.320 0.007 0.000 0.218 367 A C 2.276 179.869 177.584 0.016 0.000 1.203 367 A CA 3.289 55.322 52.037 -0.006 0.000 0.638 367 A CB -1.368 17.625 19.000 -0.013 0.000 0.831 367 A HN 0.619 nan 8.150 nan 0.000 0.450 368 T N -5.361 109.212 114.554 0.032 0.000 3.023 368 T HA 0.437 4.791 4.350 0.007 0.000 0.249 368 T C 1.448 176.191 174.700 0.071 0.000 1.050 368 T CA 1.088 63.214 62.100 0.044 0.000 1.088 368 T CB 0.291 69.182 68.868 0.038 0.000 0.946 368 T HN 1.894 nan 8.240 nan 0.000 0.480 369 G N 1.690 110.550 108.800 0.100 0.000 2.136 369 G HA2 0.012 3.976 3.960 0.007 0.000 0.242 369 G HA3 0.012 3.976 3.960 0.007 0.000 0.242 369 G C 0.243 175.311 174.900 0.281 0.000 0.989 369 G CA -0.077 45.122 45.100 0.165 0.000 0.682 369 G HN 1.117 nan 8.290 nan 0.000 0.522 370 A N -0.460 122.453 122.820 0.155 0.000 2.351 370 A HA 0.727 5.051 4.320 0.007 0.000 0.257 370 A C 0.538 178.044 177.584 -0.130 0.000 1.087 370 A CA 0.013 52.088 52.037 0.062 0.000 0.798 370 A CB 0.725 19.733 19.000 0.012 0.000 1.033 370 A HN 1.593 nan 8.150 nan 0.000 0.488 371 L N 2.282 123.310 121.223 -0.324 0.000 2.418 371 L HA 0.235 4.579 4.340 0.007 0.000 0.274 371 L C 0.496 177.153 176.870 -0.355 0.000 1.135 371 L CA 0.490 54.945 54.840 -0.642 0.000 0.870 371 L CB 0.009 41.814 42.059 -0.424 0.000 1.154 371 L HN 0.732 nan 8.230 nan 0.000 0.462 372 L N 3.593 124.604 121.223 -0.354 0.000 2.388 372 L HA 0.323 4.667 4.340 0.007 0.000 0.209 372 L C 0.695 177.394 176.870 -0.285 0.000 1.061 372 L CA 0.191 54.895 54.840 -0.227 0.000 0.834 372 L CB -0.042 41.930 42.059 -0.145 0.000 1.029 372 L HN 0.564 nan 8.230 nan 0.000 0.473 373 K N 0.313 120.476 120.400 -0.395 0.000 2.578 373 K HA 0.454 4.778 4.320 0.007 0.000 0.269 373 K C -1.695 174.544 176.600 -0.601 0.000 0.941 373 K CA -0.431 55.564 56.287 -0.486 0.000 0.847 373 K CB 2.991 35.131 32.500 -0.599 0.000 1.397 373 K HN -0.119 nan 8.250 nan 0.000 0.422 374 I N 2.916 123.174 120.570 -0.519 0.000 2.441 374 I HA 0.378 4.552 4.170 0.007 0.000 0.295 374 I C -0.444 175.383 176.117 -0.484 0.000 0.994 374 I CA -0.871 60.165 61.300 -0.439 0.000 1.144 374 I CB 1.103 38.951 38.000 -0.254 0.000 1.314 374 I HN 0.401 nan 8.210 nan 0.000 0.445 375 F N 6.155 126.006 119.950 -0.165 0.000 2.385 375 F HA 0.327 4.858 4.527 0.007 0.000 0.360 375 F C -1.685 174.011 175.800 -0.173 0.000 1.122 375 F CA -2.163 55.733 58.000 -0.173 0.000 1.090 375 F CB 0.964 39.824 39.000 -0.232 0.000 1.150 375 F HN 0.229 nan 8.300 nan 0.000 0.472 376 P HA 0.061 nan 4.420 nan 0.000 0.262 376 P C -0.821 176.403 177.300 -0.126 0.000 1.182 376 P CA 0.304 63.370 63.100 -0.056 0.000 0.761 376 P CB 1.124 32.794 31.700 -0.049 0.000 0.795 377 L N 2.182 123.328 121.223 -0.128 0.000 2.505 377 L HA 0.266 4.610 4.340 0.007 0.000 0.266 377 L C 0.665 177.433 176.870 -0.170 0.000 0.954 377 L CA -0.878 53.831 54.840 -0.217 0.000 0.852 377 L CB 2.678 44.688 42.059 -0.083 0.000 1.282 377 L HN 0.317 nan 8.230 nan 0.000 0.403 378 E N 1.173 121.174 120.200 -0.331 0.000 2.766 378 E HA 0.148 4.502 4.350 0.007 0.000 0.261 378 E C -0.573 176.133 176.600 0.176 0.000 1.427 378 E CA -0.241 56.119 56.400 -0.067 0.000 1.085 378 E CB 0.968 30.645 29.700 -0.039 0.000 1.074 378 E HN 0.193 nan 8.360 nan 0.000 0.651 379 V N 0.665 120.741 119.914 0.270 0.000 2.470 379 V HA 0.480 4.604 4.120 0.007 0.000 0.276 379 V C 0.807 177.098 176.094 0.328 0.000 1.040 379 V CA 1.364 63.837 62.300 0.288 0.000 1.008 379 V CB 0.377 32.346 31.823 0.242 0.000 0.990 379 V HN 0.786 nan 8.190 nan 0.000 0.477 380 G N 4.311 113.264 108.800 0.254 0.000 2.404 380 G HA2 0.452 4.416 3.960 0.007 0.000 0.253 380 G HA3 0.452 4.416 3.960 0.007 0.000 0.253 380 G C -0.816 174.084 174.900 0.001 0.000 1.253 380 G CA 0.080 45.147 45.100 -0.055 0.000 0.917 380 G HN 1.037 nan 8.290 nan 0.000 0.480 381 S N -1.568 114.038 115.700 -0.158 0.000 2.595 381 S HA 0.732 5.206 4.470 0.007 0.000 0.281 381 S C -1.123 173.534 174.600 0.095 0.000 1.117 381 S CA -0.733 57.472 58.200 0.010 0.000 0.873 381 S CB 1.990 65.168 63.200 -0.036 0.000 1.108 381 S HN 1.206 nan 8.310 nan 0.000 0.477 382 V N 2.713 122.767 119.914 0.233 0.000 2.348 382 V HA 0.294 4.419 4.120 0.007 0.000 0.270 382 V C 0.795 177.068 176.094 0.299 0.000 1.037 382 V CA -0.302 62.208 62.300 0.350 0.000 0.872 382 V CB 0.981 33.071 31.823 0.444 0.000 1.002 382 V HN 0.959 nan 8.190 nan 0.000 0.464 383 V N 2.129 122.182 119.914 0.232 0.000 3.483 383 V HA 0.699 4.823 4.120 0.007 0.000 0.301 383 V C 0.639 176.843 176.094 0.184 0.000 1.389 383 V CA 0.413 62.815 62.300 0.170 0.000 1.101 383 V CB 0.103 31.988 31.823 0.102 0.000 0.971 383 V HN 0.766 nan 8.190 nan 0.000 0.434 384 G N -0.495 108.464 108.800 0.265 0.000 2.733 384 G HA2 0.617 4.581 3.960 0.007 0.000 0.297 384 G HA3 0.617 4.581 3.960 0.007 0.000 0.297 384 G C -2.167 172.966 174.900 0.388 0.000 1.422 384 G CA -0.772 44.484 45.100 0.260 0.000 0.942 384 G HN 0.487 nan 8.290 nan 0.000 0.510 385 Y N 0.902 121.292 120.300 0.150 0.000 2.521 385 Y HA 0.609 5.164 4.550 0.007 0.000 0.326 385 Y C -0.970 175.018 175.900 0.145 0.000 1.176 385 Y CA -0.653 57.562 58.100 0.191 0.000 1.079 385 Y CB 1.702 40.197 38.460 0.059 0.000 1.341 385 Y HN 1.199 nan 8.280 nan 0.000 0.456 386 S N 3.441 118.658 115.700 -0.806 0.000 2.548 386 S HA 0.929 5.403 4.470 0.007 0.000 0.276 386 S C -0.663 173.527 174.600 -0.683 0.000 1.129 386 S CA -0.294 57.593 58.200 -0.521 0.000 0.931 386 S CB 1.632 64.848 63.200 0.027 0.000 1.068 386 S HN 1.978 nan 8.310 nan 0.000 0.480 387 G N 2.344 110.948 108.800 -0.327 0.000 1.873 387 G HA2 0.313 4.277 3.960 0.007 0.000 0.199 387 G HA3 0.313 4.277 3.960 0.007 0.000 0.199 387 G C -1.398 173.598 174.900 0.160 0.000 1.821 387 G CA -0.777 44.313 45.100 -0.018 0.000 0.955 387 G HN 0.579 nan 8.290 nan 0.000 0.616 388 Q N 1.161 121.044 119.800 0.138 0.000 2.193 388 Q HA 0.383 4.727 4.340 0.007 0.000 0.246 388 Q C 1.461 177.544 176.000 0.138 0.000 0.959 388 Q CA -0.785 55.105 55.803 0.144 0.000 0.904 388 Q CB 1.824 30.631 28.738 0.115 0.000 1.238 388 Q HN 0.663 nan 8.270 nan 0.000 0.469 389 K N 1.192 121.664 120.400 0.121 0.000 2.160 389 K HA -0.176 4.148 4.320 0.007 0.000 0.206 389 K C 1.246 177.896 176.600 0.083 0.000 1.047 389 K CA 1.496 57.840 56.287 0.095 0.000 0.930 389 K CB 0.237 32.780 32.500 0.071 0.000 0.720 389 K HN 0.401 nan 8.250 nan 0.000 0.450 390 K N -0.045 120.404 120.400 0.081 0.000 2.418 390 K HA 0.020 4.344 4.320 0.007 0.000 0.195 390 K C -0.333 176.306 176.600 0.066 0.000 1.035 390 K CA 0.297 56.622 56.287 0.063 0.000 1.003 390 K CB 0.140 32.671 32.500 0.051 0.000 0.793 390 K HN 0.012 nan 8.250 nan 0.000 0.494 391 D N 2.654 123.108 120.400 0.089 0.000 2.302 391 D HA 0.019 4.663 4.640 0.007 0.000 0.248 391 D C 0.604 176.974 176.300 0.117 0.000 1.094 391 D CA 0.247 54.308 54.000 0.101 0.000 0.897 391 D CB 1.837 42.710 40.800 0.123 0.000 1.200 391 D HN 0.215 nan 8.370 nan 0.000 0.429 392 T N -1.438 113.182 114.554 0.111 0.000 3.176 392 T HA 0.205 4.559 4.350 0.007 0.000 0.263 392 T C 0.272 175.034 174.700 0.103 0.000 1.021 392 T CA -0.429 61.739 62.100 0.113 0.000 0.905 392 T CB -0.078 68.843 68.868 0.088 0.000 1.057 392 T HN 0.599 nan 8.240 nan 0.000 0.558 393 E N 0.766 121.030 120.200 0.105 0.000 2.423 393 E HA 0.622 4.976 4.350 0.007 0.000 0.280 393 E C -1.323 175.309 176.600 0.054 0.000 1.030 393 E CA -1.430 54.989 56.400 0.033 0.000 0.812 393 E CB 1.620 31.347 29.700 0.044 0.000 1.313 393 E HN 0.400 nan 8.360 nan 0.000 0.456 394 I N -1.772 118.769 120.570 -0.047 0.000 2.828 394 I HA 0.744 4.918 4.170 0.007 0.000 0.302 394 I C -1.620 174.460 176.117 -0.062 0.000 1.101 394 I CA -1.152 60.168 61.300 0.033 0.000 1.031 394 I CB 1.881 39.994 38.000 0.188 0.000 1.231 394 I HN 0.506 nan 8.210 nan 0.000 0.427 395 F N 3.541 123.539 119.950 0.079 0.000 2.565 395 F HA 0.710 5.241 4.527 0.007 0.000 0.313 395 F C -0.990 174.949 175.800 0.231 0.000 1.091 395 F CA -0.476 57.565 58.000 0.068 0.000 0.915 395 F CB 2.294 41.261 39.000 -0.055 0.000 1.208 395 F HN 0.579 nan 8.300 nan 0.000 0.453 396 Y N 0.180 120.699 120.300 0.366 0.000 2.519 396 Y HA 0.545 5.099 4.550 0.007 0.000 0.336 396 Y C -1.443 174.703 175.900 0.410 0.000 1.089 396 Y CA -1.253 57.088 58.100 0.402 0.000 1.025 396 Y CB 1.298 40.028 38.460 0.450 0.000 1.318 396 Y HN 0.599 nan 8.280 nan 0.000 0.452 397 Q N 3.473 123.550 119.800 0.462 0.000 2.307 397 Q HA 0.487 4.831 4.340 0.007 0.000 0.262 397 Q C -1.976 174.295 176.000 0.453 0.000 0.961 397 Q CA -0.902 55.117 55.803 0.359 0.000 0.882 397 Q CB 1.504 30.394 28.738 0.253 0.000 1.264 397 Q HN 0.747 nan 8.270 nan 0.000 0.446 398 F N 2.442 122.569 119.950 0.294 0.000 2.422 398 F HA 0.640 5.171 4.527 0.007 0.000 0.333 398 F C -0.766 175.118 175.800 0.141 0.000 1.095 398 F CA -0.115 58.050 58.000 0.274 0.000 1.038 398 F CB 2.067 41.311 39.000 0.407 0.000 1.156 398 F HN 0.449 nan 8.300 nan 0.000 0.483 399 T N 3.819 117.901 114.554 -0.786 0.000 2.916 399 T HA 0.614 4.968 4.350 0.007 0.000 0.305 399 T C -1.229 172.942 174.700 -0.882 0.000 1.119 399 T CA -0.234 61.475 62.100 -0.651 0.000 1.008 399 T CB 1.304 70.024 68.868 -0.246 0.000 1.129 399 T HN 0.982 nan 8.240 nan 0.000 0.480 400 S N 2.071 117.433 115.700 -0.563 0.000 2.819 400 S HA 0.565 5.040 4.470 0.007 0.000 0.299 400 S C 0.295 174.760 174.600 -0.225 0.000 1.192 400 S CA -0.665 57.255 58.200 -0.467 0.000 0.847 400 S CB 0.285 63.318 63.200 -0.279 0.000 1.224 400 S HN 0.591 nan 8.310 nan 0.000 0.537 401 F N 0.279 120.185 119.950 -0.074 0.000 2.293 401 F HA 0.237 4.768 4.527 0.007 0.000 0.300 401 F C 1.522 177.382 175.800 0.101 0.000 1.086 401 F CA 0.876 58.858 58.000 -0.030 0.000 1.375 401 F CB 0.043 38.979 39.000 -0.106 0.000 1.045 401 F HN 0.286 nan 8.300 nan 0.000 0.516 402 L N -1.992 119.404 121.223 0.289 0.000 2.966 402 L HA 0.203 4.547 4.340 0.007 0.000 0.262 402 L C 0.426 177.381 176.870 0.141 0.000 1.165 402 L CA -0.057 54.951 54.840 0.281 0.000 0.978 402 L CB 0.590 42.771 42.059 0.204 0.000 1.337 402 L HN -0.194 nan 8.230 nan 0.000 0.563 403 S N 0.528 116.240 115.700 0.019 0.000 2.498 403 S HA 0.392 4.866 4.470 0.007 0.000 0.324 403 S C -1.867 172.455 174.600 -0.463 0.000 1.071 403 S CA -1.417 56.683 58.200 -0.167 0.000 1.113 403 S CB 1.222 64.423 63.200 0.002 0.000 0.976 403 S HN -0.130 nan 8.310 nan 0.000 0.462 404 P HA 0.171 nan 4.420 nan 0.000 0.220 404 P C 0.461 177.567 177.300 -0.323 0.000 1.148 404 P CA 0.941 63.455 63.100 -0.977 0.000 0.803 404 P CB -0.059 31.030 31.700 -1.019 0.000 0.782 405 G N -0.950 107.730 108.800 -0.201 0.000 2.326 405 G HA2 0.195 4.159 3.960 0.007 0.000 0.299 405 G HA3 0.195 4.159 3.960 0.007 0.000 0.299 405 G C -1.491 173.409 174.900 0.001 0.000 1.643 405 G CA -0.830 44.242 45.100 -0.046 0.000 0.916 405 G HN -0.001 nan 8.290 nan 0.000 0.700 406 I N 2.305 122.918 120.570 0.071 0.000 2.436 406 I HA 0.501 4.675 4.170 0.007 0.000 0.289 406 I C 0.160 176.181 176.117 -0.159 0.000 1.010 406 I CA -0.932 60.300 61.300 -0.113 0.000 1.098 406 I CB 2.030 39.874 38.000 -0.259 0.000 1.266 406 I HN 0.356 nan 8.210 nan 0.000 0.434 407 I N 6.327 126.780 120.570 -0.195 0.000 2.336 407 I HA 0.313 4.487 4.170 0.007 0.000 0.292 407 I C -0.862 175.132 176.117 -0.205 0.000 0.991 407 I CA -0.428 60.825 61.300 -0.079 0.000 1.227 407 I CB 0.731 38.760 38.000 0.047 0.000 1.366 407 I HN 0.398 nan 8.210 nan 0.000 0.466 408 Y N 4.617 124.746 120.300 -0.284 0.000 2.457 408 Y HA 0.449 5.004 4.550 0.007 0.000 0.333 408 Y C 0.135 175.823 175.900 -0.354 0.000 1.119 408 Y CA -0.523 57.328 58.100 -0.414 0.000 1.143 408 Y CB 1.262 39.198 38.460 -0.873 0.000 1.230 408 Y HN 0.486 nan 8.280 nan 0.000 0.469 409 H N 0.819 119.779 119.070 -0.184 0.000 2.731 409 H HA 0.656 5.216 4.556 0.007 0.000 0.368 409 H C -1.555 173.600 175.328 -0.288 0.000 1.168 409 H CA -0.846 54.932 56.048 -0.450 0.000 1.181 409 H CB 2.147 31.675 29.762 -0.390 0.000 1.743 409 H HN 0.769 nan 8.280 nan 0.000 0.547 410 C N 4.401 123.226 119.300 -0.792 0.000 2.833 410 C HA 0.086 4.550 4.460 0.007 0.000 0.383 410 C C -0.929 173.717 174.990 -0.572 0.000 1.058 410 C CA -0.804 57.891 59.018 -0.539 0.000 1.259 410 C CB 0.242 27.807 27.740 -0.292 0.000 1.726 410 C HN 0.863 nan 8.230 nan 0.000 0.484 411 D N 4.381 124.484 120.400 -0.495 0.000 2.344 411 D HA 0.174 4.818 4.640 0.007 0.000 0.253 411 D C 1.024 177.261 176.300 -0.105 0.000 1.255 411 D CA 0.020 53.857 54.000 -0.271 0.000 0.894 411 D CB 0.738 41.431 40.800 -0.178 0.000 1.067 411 D HN 0.702 nan 8.370 nan 0.000 0.492 412 L N 2.946 124.150 121.223 -0.032 0.000 2.552 412 L HA -0.042 4.302 4.340 0.007 0.000 0.227 412 L C 2.058 179.004 176.870 0.127 0.000 1.146 412 L CA 0.749 55.629 54.840 0.066 0.000 0.858 412 L CB -0.379 41.779 42.059 0.164 0.000 0.969 412 L HN 0.446 nan 8.230 nan 0.000 0.451 413 T N -3.392 111.206 114.554 0.074 0.000 3.272 413 T HA 0.092 4.446 4.350 0.007 0.000 0.250 413 T C 0.623 175.354 174.700 0.052 0.000 1.082 413 T CA -0.206 61.938 62.100 0.074 0.000 0.968 413 T CB -0.054 68.846 68.868 0.054 0.000 1.015 413 T HN 0.044 nan 8.240 nan 0.000 0.563 414 K N 0.988 121.412 120.400 0.041 0.000 2.270 414 K HA 0.313 4.637 4.320 0.007 0.000 0.255 414 K C 0.595 177.214 176.600 0.032 0.000 0.936 414 K CA -0.617 55.685 56.287 0.025 0.000 0.809 414 K CB 2.148 34.649 32.500 0.001 0.000 1.131 414 K HN -0.081 nan 8.250 nan 0.000 0.427 415 E N 2.206 122.422 120.200 0.026 0.000 2.065 415 E HA -0.233 4.121 4.350 0.007 0.000 0.201 415 E C 0.241 176.849 176.600 0.014 0.000 1.016 415 E CA 2.003 58.418 56.400 0.024 0.000 0.818 415 E CB -0.005 29.704 29.700 0.015 0.000 0.749 415 E HN 0.707 nan 8.360 nan 0.000 0.453 416 E N 0.240 120.443 120.200 0.004 0.000 2.044 416 E HA 0.360 4.714 4.350 0.007 0.000 0.282 416 E C -0.265 176.334 176.600 -0.002 0.000 1.031 416 E CA -0.190 56.207 56.400 -0.004 0.000 0.824 416 E CB -0.226 29.471 29.700 -0.005 0.000 1.076 416 E HN 0.290 nan 8.360 nan 0.000 0.395 417 L N 3.046 124.266 121.223 -0.004 0.000 2.376 417 L HA 0.205 4.549 4.340 0.007 0.000 0.250 417 L C 0.705 177.616 176.870 0.067 0.000 1.335 417 L CA 0.099 54.951 54.840 0.020 0.000 1.214 417 L CB -0.069 41.991 42.059 0.002 0.000 1.395 417 L HN 0.614 nan 8.230 nan 0.000 0.424 418 E N 4.416 124.638 120.200 0.036 0.000 2.109 418 E HA 0.302 4.656 4.350 0.007 0.000 0.278 418 E C -2.232 174.387 176.600 0.032 0.000 0.954 418 E CA -1.976 54.452 56.400 0.047 0.000 0.779 418 E CB 1.398 31.109 29.700 0.018 0.000 1.093 418 E HN 0.177 nan 8.360 nan 0.000 0.401 419 P HA 0.224 nan 4.420 nan 0.000 0.280 419 P C -0.879 176.451 177.300 0.048 0.000 1.244 419 P CA -0.408 62.692 63.100 -0.001 0.000 0.784 419 P CB 1.023 32.699 31.700 -0.040 0.000 0.913 420 R N 1.453 121.985 120.500 0.055 0.000 2.832 420 R HA 0.491 4.835 4.340 0.007 0.000 0.271 420 R C -0.603 175.786 176.300 0.147 0.000 0.996 420 R CA -1.281 54.875 56.100 0.093 0.000 0.977 420 R CB 1.249 31.581 30.300 0.052 0.000 1.168 420 R HN 0.234 nan 8.270 nan 0.000 0.482 421 V N 2.967 122.930 119.914 0.082 0.000 2.479 421 V HA 0.007 4.132 4.120 0.007 0.000 0.281 421 V C 0.913 176.996 176.094 -0.018 0.000 1.031 421 V CA 0.468 62.732 62.300 -0.060 0.000 1.038 421 V CB 0.316 32.053 31.823 -0.144 0.000 0.981 421 V HN 0.666 nan 8.190 nan 0.000 0.478 422 F N 5.369 125.225 119.950 -0.156 0.000 2.274 422 F HA 0.337 4.868 4.527 0.007 0.000 0.288 422 F C 1.210 176.887 175.800 -0.205 0.000 1.069 422 F CA 0.426 58.352 58.000 -0.124 0.000 1.343 422 F CB 0.380 39.374 39.000 -0.010 0.000 1.089 422 F HN 0.434 nan 8.300 nan 0.000 0.517 423 R N 0.552 121.007 120.500 -0.074 0.000 2.626 423 R HA 0.341 4.685 4.340 0.007 0.000 0.274 423 R C -1.845 174.334 176.300 -0.201 0.000 1.031 423 R CA -0.593 55.373 56.100 -0.223 0.000 0.898 423 R CB 1.620 31.756 30.300 -0.274 0.000 1.222 423 R HN 0.130 nan 8.270 nan 0.000 0.455 424 E N 3.715 123.802 120.200 -0.188 0.000 2.265 424 E HA 0.363 4.717 4.350 0.007 0.000 0.262 424 E C -1.356 175.192 176.600 -0.087 0.000 0.889 424 E CA -0.912 55.405 56.400 -0.139 0.000 0.789 424 E CB 1.779 31.396 29.700 -0.139 0.000 1.221 424 E HN 0.422 nan 8.360 nan 0.000 0.414 425 V N 1.858 121.738 119.914 -0.056 0.000 2.644 425 V HA 0.688 4.812 4.120 0.007 0.000 0.295 425 V C 0.155 176.175 176.094 -0.124 0.000 1.053 425 V CA -0.551 61.732 62.300 -0.028 0.000 0.987 425 V CB 1.509 33.359 31.823 0.045 0.000 1.006 425 V HN 0.693 nan 8.190 nan 0.000 0.472 426 T N 2.349 116.832 114.554 -0.117 0.000 2.912 426 T HA 0.536 4.890 4.350 0.007 0.000 0.299 426 T C -0.866 173.734 174.700 -0.167 0.000 1.052 426 T CA -0.285 61.724 62.100 -0.151 0.000 0.996 426 T CB 1.814 70.637 68.868 -0.075 0.000 1.070 426 T HN 0.575 nan 8.240 nan 0.000 0.465 427 V N 6.863 126.655 119.914 -0.203 0.000 2.239 427 V HA 0.287 4.411 4.120 0.007 0.000 0.267 427 V C 0.422 176.510 176.094 -0.011 0.000 1.056 427 V CA -1.054 61.162 62.300 -0.139 0.000 0.830 427 V CB 0.434 32.131 31.823 -0.210 0.000 1.090 427 V HN 0.748 nan 8.190 nan 0.000 0.459 428 K N 2.291 122.699 120.400 0.013 0.000 2.542 428 K HA 0.181 4.505 4.320 0.007 0.000 0.276 428 K C 1.067 177.703 176.600 0.059 0.000 0.963 428 K CA 0.719 57.027 56.287 0.035 0.000 0.975 428 K CB -0.089 32.433 32.500 0.036 0.000 0.901 428 K HN 0.996 nan 8.250 nan 0.000 0.506 429 G N 0.217 109.054 108.800 0.062 0.000 2.195 429 G HA2 -0.159 3.805 3.960 0.007 0.000 0.224 429 G HA3 -0.159 3.805 3.960 0.007 0.000 0.224 429 G C -0.183 174.769 174.900 0.087 0.000 0.990 429 G CA -0.025 45.122 45.100 0.079 0.000 0.639 429 G HN 0.517 nan 8.290 nan 0.000 0.514 430 I N 1.169 121.793 120.570 0.090 0.000 2.499 430 I HA 0.408 4.582 4.170 0.007 0.000 0.288 430 I C -1.452 174.757 176.117 0.152 0.000 1.048 430 I CA -0.652 60.728 61.300 0.134 0.000 1.062 430 I CB 1.929 39.997 38.000 0.114 0.000 1.238 430 I HN 0.040 nan 8.210 nan 0.000 0.426 431 D N 4.904 125.428 120.400 0.207 0.000 2.472 431 D HA 0.490 5.134 4.640 0.007 0.000 0.234 431 D C 0.951 177.356 176.300 0.174 0.000 1.088 431 D CA -0.288 53.782 54.000 0.116 0.000 0.882 431 D CB 1.810 42.611 40.800 0.002 0.000 1.037 431 D HN 0.636 nan 8.370 nan 0.000 0.520 432 A N 2.531 125.472 122.820 0.201 0.000 1.958 432 A HA -0.220 4.105 4.320 0.007 0.000 0.221 432 A C 2.028 179.691 177.584 0.133 0.000 1.178 432 A CA 2.017 54.201 52.037 0.245 0.000 0.642 432 A CB -0.423 18.670 19.000 0.155 0.000 0.816 432 A HN 0.556 nan 8.150 nan 0.000 0.453 433 S N 0.153 115.872 115.700 0.032 0.000 2.465 433 S HA -0.132 4.342 4.470 0.007 0.000 0.241 433 S C 1.116 175.647 174.600 -0.115 0.000 1.000 433 S CA 1.250 59.437 58.200 -0.022 0.000 0.964 433 S CB -0.294 62.892 63.200 -0.024 0.000 0.763 433 S HN 0.615 nan 8.310 nan 0.000 0.512 434 D N -0.024 120.204 120.400 -0.286 0.000 2.305 434 D HA 0.120 4.765 4.640 0.007 0.000 0.206 434 D C -0.252 175.672 176.300 -0.627 0.000 0.974 434 D CA 0.561 54.242 54.000 -0.531 0.000 0.871 434 D CB 0.175 40.494 40.800 -0.803 0.000 0.947 434 D HN 0.436 nan 8.370 nan 0.000 0.516 435 Y N 0.666 120.953 120.300 -0.021 0.000 2.457 435 Y HA 0.375 4.929 4.550 0.007 0.000 0.333 435 Y C 0.523 176.388 175.900 -0.058 0.000 1.119 435 Y CA -1.178 56.895 58.100 -0.046 0.000 1.143 435 Y CB 1.070 39.502 38.460 -0.047 0.000 1.230 435 Y HN -0.271 nan 8.280 nan 0.000 0.469 436 Q N 0.130 119.932 119.800 0.003 0.000 2.356 436 Q HA 0.670 5.014 4.340 0.007 0.000 0.270 436 Q C -1.550 174.372 176.000 -0.130 0.000 1.058 436 Q CA -0.898 54.869 55.803 -0.059 0.000 0.802 436 Q CB 2.033 30.720 28.738 -0.084 0.000 1.303 436 Q HN 0.635 nan 8.270 nan 0.000 0.444 437 T N 2.521 117.074 114.554 -0.002 0.000 2.795 437 T HA 0.569 4.923 4.350 0.007 0.000 0.282 437 T C -0.591 174.173 174.700 0.107 0.000 0.980 437 T CA -0.568 61.556 62.100 0.039 0.000 1.012 437 T CB 1.342 70.308 68.868 0.163 0.000 0.936 437 T HN 0.651 nan 8.240 nan 0.000 0.457 438 V N 1.901 121.896 119.914 0.134 0.000 2.841 438 V HA 0.704 4.828 4.120 0.007 0.000 0.310 438 V C -1.244 174.971 176.094 0.201 0.000 1.090 438 V CA -1.021 61.383 62.300 0.174 0.000 0.930 438 V CB 2.106 34.024 31.823 0.159 0.000 1.014 438 V HN 0.890 nan 8.190 nan 0.000 0.425 439 Q N 3.620 123.506 119.800 0.142 0.000 2.333 439 Q HA 0.715 5.059 4.340 0.007 0.000 0.268 439 Q C -0.932 174.998 176.000 -0.116 0.000 1.007 439 Q CA -0.748 54.998 55.803 -0.094 0.000 0.810 439 Q CB 1.792 30.390 28.738 -0.232 0.000 1.264 439 Q HN 0.999 nan 8.270 nan 0.000 0.452 440 I N -0.244 120.195 120.570 -0.219 0.000 3.237 440 I HA 0.726 4.900 4.170 0.007 0.000 0.308 440 I C -1.364 174.505 176.117 -0.413 0.000 1.093 440 I CA -0.803 60.433 61.300 -0.107 0.000 1.001 440 I CB 1.396 39.399 38.000 0.005 0.000 1.245 440 I HN 0.439 nan 8.210 nan 0.000 0.485 441 F N 1.883 121.794 119.950 -0.064 0.000 2.557 441 F HA 0.596 5.127 4.527 0.007 0.000 0.316 441 F C -1.010 174.732 175.800 -0.097 0.000 1.141 441 F CA -0.429 57.500 58.000 -0.119 0.000 0.922 441 F CB 1.873 40.812 39.000 -0.102 0.000 1.194 441 F HN 0.536 nan 8.300 nan 0.000 0.443 442 Y N 2.252 122.526 120.300 -0.043 0.000 2.462 442 Y HA 0.845 5.399 4.550 0.006 0.000 0.346 442 Y C -3.230 172.696 175.900 0.043 0.000 0.976 442 Y CA -3.666 54.395 58.100 -0.064 0.000 1.044 442 Y CB 1.409 39.677 38.460 -0.320 0.000 1.230 442 Y HN 0.244 nan 8.280 nan 0.000 0.455 443 P HA 0.149 nan 4.420 nan 0.000 0.278 443 P C -0.378 177.017 177.300 0.159 0.000 1.238 443 P CA -0.130 63.018 63.100 0.079 0.000 0.794 443 P CB 2.061 33.819 31.700 0.097 0.000 0.955 444 S N 0.995 116.739 115.700 0.074 0.000 2.719 444 S HA 0.205 4.679 4.470 0.007 0.000 0.285 444 S C 1.432 176.079 174.600 0.077 0.000 1.137 444 S CA -0.594 57.672 58.200 0.110 0.000 1.012 444 S CB 0.367 63.590 63.200 0.038 0.000 1.134 444 S HN 0.318 nan 8.310 nan 0.000 0.544 445 K N 0.210 120.650 120.400 0.066 0.000 2.173 445 K HA -0.160 4.164 4.320 0.007 0.000 0.207 445 K C 0.738 177.351 176.600 0.022 0.000 1.046 445 K CA 1.956 58.270 56.287 0.045 0.000 0.929 445 K CB -0.272 32.250 32.500 0.036 0.000 0.720 445 K HN 0.696 nan 8.250 nan 0.000 0.453 446 D N -2.018 118.385 120.400 0.004 0.000 2.340 446 D HA 0.068 4.712 4.640 0.007 0.000 0.217 446 D C 1.012 177.309 176.300 -0.004 0.000 1.081 446 D CA 0.663 54.657 54.000 -0.009 0.000 0.842 446 D CB 0.559 41.339 40.800 -0.034 0.000 0.934 446 D HN 0.245 nan 8.370 nan 0.000 0.511 447 G N -0.237 108.569 108.800 0.011 0.000 2.241 447 G HA2 -0.280 3.684 3.960 0.007 0.000 0.244 447 G HA3 -0.280 3.684 3.960 0.007 0.000 0.244 447 G C 0.531 175.432 174.900 0.002 0.000 0.998 447 G CA 0.168 45.276 45.100 0.013 0.000 0.621 447 G HN 0.426 nan 8.290 nan 0.000 0.519 448 T N 3.932 118.480 114.554 -0.010 0.000 2.831 448 T HA 0.328 4.682 4.350 0.007 0.000 0.291 448 T C 0.602 175.297 174.700 -0.009 0.000 0.981 448 T CA 0.395 62.492 62.100 -0.005 0.000 1.174 448 T CB 0.611 69.466 68.868 -0.021 0.000 0.929 448 T HN 0.273 nan 8.240 nan 0.000 0.532 449 K N 4.009 124.406 120.400 -0.004 0.000 2.379 449 K HA 0.223 4.547 4.320 0.007 0.000 0.284 449 K C -0.028 176.580 176.600 0.014 0.000 1.044 449 K CA -0.267 56.006 56.287 -0.023 0.000 0.974 449 K CB 0.675 33.167 32.500 -0.014 0.000 0.962 449 K HN 0.439 nan 8.250 nan 0.000 0.474 450 I N 5.119 125.544 120.570 -0.243 0.000 2.433 450 I HA 0.296 4.470 4.170 0.007 0.000 0.292 450 I C -2.356 173.539 176.117 -0.369 0.000 1.001 450 I CA -3.228 57.918 61.300 -0.257 0.000 1.119 450 I CB 1.249 38.878 38.000 -0.617 0.000 1.289 450 I HN 0.211 nan 8.210 nan 0.000 0.438 451 P HA 0.485 nan 4.420 nan 0.000 0.278 451 P C -0.797 176.330 177.300 -0.288 0.000 1.238 451 P CA -0.564 62.218 63.100 -0.531 0.000 0.794 451 P CB 1.130 32.569 31.700 -0.434 0.000 0.955 452 M N 2.561 121.922 119.600 -0.398 0.000 2.413 452 M HA 0.513 4.997 4.480 0.007 0.000 0.287 452 M C -2.040 174.105 176.300 -0.259 0.000 1.186 452 M CA -0.505 54.713 55.300 -0.137 0.000 0.927 452 M CB 1.473 34.109 32.600 0.059 0.000 1.715 452 M HN 0.042 nan 8.290 nan 0.000 0.478 453 F N 4.345 124.306 119.950 0.017 0.000 2.422 453 F HA 0.700 5.231 4.527 0.007 0.000 0.333 453 F C -0.319 175.422 175.800 -0.098 0.000 1.095 453 F CA -0.553 57.447 58.000 0.000 0.000 1.038 453 F CB 1.482 40.562 39.000 0.132 0.000 1.156 453 F HN 0.392 nan 8.300 nan 0.000 0.483 454 I N 3.750 124.379 120.570 0.099 0.000 2.499 454 I HA 0.452 4.626 4.170 0.007 0.000 0.288 454 I C -1.345 174.709 176.117 -0.106 0.000 1.048 454 I CA -0.863 60.411 61.300 -0.043 0.000 1.062 454 I CB 2.011 39.964 38.000 -0.080 0.000 1.238 454 I HN 0.151 nan 8.210 nan 0.000 0.426 455 V N 5.528 125.354 119.914 -0.146 0.000 2.709 455 V HA 0.636 4.760 4.120 0.007 0.000 0.308 455 V C -0.962 175.112 176.094 -0.034 0.000 1.062 455 V CA -0.534 61.645 62.300 -0.201 0.000 0.901 455 V CB 1.946 33.581 31.823 -0.312 0.000 1.003 455 V HN 1.008 nan 8.190 nan 0.000 0.425 456 H N 1.026 120.118 119.070 0.037 0.000 2.950 456 H HA 0.516 5.076 4.556 0.007 0.000 0.307 456 H C -0.803 174.609 175.328 0.140 0.000 1.403 456 H CA -1.117 54.969 56.048 0.064 0.000 1.145 456 H CB 1.059 30.837 29.762 0.026 0.000 1.844 456 H HN 0.574 nan 8.280 nan 0.000 0.515 457 K N 1.351 121.941 120.400 0.317 0.000 2.319 457 K HA 0.141 4.466 4.320 0.007 0.000 0.265 457 K C -0.454 176.256 176.600 0.184 0.000 1.000 457 K CA -0.564 55.821 56.287 0.163 0.000 0.943 457 K CB 0.568 33.095 32.500 0.045 0.000 0.950 457 K HN 0.579 nan 8.250 nan 0.000 0.485 458 K N 1.329 121.746 120.400 0.028 0.000 2.355 458 K HA 0.051 4.375 4.320 0.007 0.000 0.270 458 K C 0.728 177.359 176.600 0.052 0.000 1.003 458 K CA 0.875 57.197 56.287 0.058 0.000 0.957 458 K CB 0.615 33.106 32.500 -0.015 0.000 0.939 458 K HN 0.985 nan 8.250 nan 0.000 0.482 459 G N 1.844 110.687 108.800 0.072 0.000 2.184 459 G HA2 -0.285 3.679 3.960 0.007 0.000 0.264 459 G HA3 -0.285 3.679 3.960 0.007 0.000 0.264 459 G C 0.333 175.239 174.900 0.011 0.000 0.975 459 G CA 0.541 45.660 45.100 0.033 0.000 0.642 459 G HN 0.755 nan 8.290 nan 0.000 0.536 460 I N -1.095 119.470 120.570 -0.009 0.000 2.752 460 I HA 0.506 4.680 4.170 0.007 0.000 0.287 460 I C 0.512 176.585 176.117 -0.073 0.000 1.188 460 I CA -0.122 61.128 61.300 -0.083 0.000 1.427 460 I CB 0.695 38.513 38.000 -0.304 0.000 1.365 460 I HN 0.122 nan 8.210 nan 0.000 0.585 461 K N 7.100 127.517 120.400 0.029 0.000 2.248 461 K HA 0.380 4.704 4.320 0.007 0.000 0.281 461 K C -0.714 175.949 176.600 0.106 0.000 1.054 461 K CA -0.597 55.712 56.287 0.037 0.000 0.903 461 K CB 0.710 33.233 32.500 0.039 0.000 1.077 461 K HN 0.764 nan 8.250 nan 0.000 0.474 462 L N 5.965 127.158 121.223 -0.051 0.000 2.505 462 L HA 0.070 4.414 4.340 0.007 0.000 0.279 462 L C -0.122 176.706 176.870 -0.070 0.000 1.211 462 L CA -0.107 54.663 54.840 -0.117 0.000 1.059 462 L CB -0.258 41.596 42.059 -0.342 0.000 1.340 462 L HN 0.764 nan 8.230 nan 0.000 0.447 463 D N -0.029 120.361 120.400 -0.016 0.000 2.513 463 D HA 0.129 4.773 4.640 0.007 0.000 0.222 463 D C 1.219 177.465 176.300 -0.091 0.000 1.210 463 D CA 0.090 54.044 54.000 -0.076 0.000 0.825 463 D CB 0.695 41.440 40.800 -0.092 0.000 1.037 463 D HN 0.453 nan 8.370 nan 0.000 0.506 464 G N 1.080 109.851 108.800 -0.049 0.000 2.179 464 G HA2 -0.341 3.623 3.960 0.007 0.000 0.257 464 G HA3 -0.341 3.623 3.960 0.007 0.000 0.257 464 G C 0.928 175.780 174.900 -0.080 0.000 1.010 464 G CA 0.861 45.945 45.100 -0.026 0.000 0.736 464 G HN 0.717 nan 8.290 nan 0.000 0.513 465 S N -0.665 114.885 115.700 -0.250 0.000 2.540 465 S HA 0.268 4.742 4.470 0.007 0.000 0.218 465 S C 0.626 175.031 174.600 -0.326 0.000 0.977 465 S CA -0.205 57.815 58.200 -0.300 0.000 0.918 465 S CB 0.144 63.127 63.200 -0.361 0.000 0.806 465 S HN 0.621 nan 8.310 nan 0.000 0.496 466 H N 2.299 121.382 119.070 0.021 0.000 2.458 466 H HA 0.431 4.991 4.556 0.007 0.000 0.330 466 H C -3.056 172.320 175.328 0.079 0.000 1.111 466 H CA -2.338 53.729 56.048 0.032 0.000 1.245 466 H CB 0.716 30.497 29.762 0.032 0.000 1.456 466 H HN 0.156 nan 8.280 nan 0.000 0.488 467 P HA 0.166 nan 4.420 nan 0.000 0.271 467 P C -0.766 176.753 177.300 0.366 0.000 1.220 467 P CA -0.143 63.108 63.100 0.251 0.000 0.768 467 P CB 0.646 32.464 31.700 0.195 0.000 0.848 468 A N 3.627 126.701 122.820 0.424 0.000 2.337 468 A HA 0.685 5.009 4.320 0.007 0.000 0.329 468 A C -1.414 176.486 177.584 0.526 0.000 1.146 468 A CA -0.511 51.794 52.037 0.446 0.000 0.800 468 A CB 0.537 19.704 19.000 0.278 0.000 1.220 468 A HN 0.464 nan 8.150 nan 0.000 0.472 469 F N 2.934 123.080 119.950 0.325 0.000 2.430 469 F HA 0.539 5.070 4.527 0.007 0.000 0.362 469 F C -0.877 175.000 175.800 0.129 0.000 1.103 469 F CA -0.992 57.075 58.000 0.113 0.000 1.045 469 F CB 1.386 40.293 39.000 -0.155 0.000 1.276 469 F HN 0.468 nan 8.300 nan 0.000 0.444 470 L N 8.123 129.249 121.223 -0.162 0.000 2.282 470 L HA 0.470 4.814 4.340 0.007 0.000 0.288 470 L C -1.784 175.035 176.870 -0.084 0.000 1.033 470 L CA -0.554 54.236 54.840 -0.083 0.000 0.807 470 L CB 0.791 42.759 42.059 -0.152 0.000 1.209 470 L HN 0.595 nan 8.230 nan 0.000 0.423 471 Y N 4.479 124.779 120.300 -0.001 0.000 2.509 471 Y HA 0.872 5.426 4.550 0.007 0.000 0.341 471 Y C -0.038 176.041 175.900 0.297 0.000 1.038 471 Y CA -0.070 58.077 58.100 0.079 0.000 1.089 471 Y CB 2.132 40.644 38.460 0.088 0.000 1.241 471 Y HN 0.792 nan 8.280 nan 0.000 0.468 472 G N 2.606 110.981 108.800 -0.707 0.000 2.547 472 G HA2 0.227 4.191 3.960 0.007 0.000 0.291 472 G HA3 0.227 4.191 3.960 0.007 0.000 0.291 472 G C -2.165 172.383 174.900 -0.586 0.000 1.471 472 G CA -0.461 44.406 45.100 -0.388 0.000 0.798 472 G HN 0.682 nan 8.290 nan 0.000 0.504 473 Y N 0.413 120.508 120.300 -0.342 0.000 2.972 473 Y HA 0.487 5.041 4.550 0.007 0.000 0.211 473 Y C 1.652 177.441 175.900 -0.185 0.000 0.969 473 Y CA 1.630 59.589 58.100 -0.235 0.000 1.574 473 Y CB 0.595 39.026 38.460 -0.050 0.000 1.364 473 Y HN 1.799 nan 8.280 nan 0.000 0.467 474 G N 0.813 109.675 108.800 0.103 0.000 2.520 474 G HA2 0.334 4.298 3.960 0.007 0.000 0.264 474 G HA3 0.334 4.298 3.960 0.007 0.000 0.264 474 G C -0.029 174.812 174.900 -0.098 0.000 1.140 474 G CA 0.319 45.394 45.100 -0.042 0.000 1.012 474 G HN 1.301 nan 8.290 nan 0.000 0.511 475 G N -1.504 107.382 108.800 0.143 0.000 2.322 475 G HA2 0.613 4.577 3.960 0.007 0.000 0.295 475 G HA3 0.613 4.577 3.960 0.007 0.000 0.295 475 G C 0.069 175.148 174.900 0.299 0.000 1.369 475 G CA 0.164 45.289 45.100 0.042 0.000 0.821 475 G HN 1.391 nan 8.290 nan 0.000 0.536 476 F N -0.083 119.908 119.950 0.068 0.000 3.082 476 F HA -0.256 4.275 4.527 0.007 0.000 0.272 476 F C 1.357 177.038 175.800 -0.199 0.000 0.936 476 F CA 1.412 59.386 58.000 -0.044 0.000 0.920 476 F CB -1.302 37.697 39.000 -0.001 0.000 0.901 476 F HN 0.971 nan 8.300 nan 0.000 0.695 477 N N -0.759 117.803 118.700 -0.231 0.000 2.753 477 N HA -0.218 4.526 4.740 0.007 0.000 0.251 477 N C -0.358 175.156 175.510 0.006 0.000 1.097 477 N CA 1.000 53.931 53.050 -0.197 0.000 0.786 477 N CB -0.579 37.700 38.487 -0.347 0.000 1.137 477 N HN 0.433 nan 8.380 nan 0.000 0.566 478 I N 0.693 121.314 120.570 0.086 0.000 2.371 478 I HA 0.162 4.336 4.170 0.007 0.000 0.290 478 I C 0.417 176.572 176.117 0.063 0.000 1.028 478 I CA -0.128 61.184 61.300 0.020 0.000 1.345 478 I CB 1.326 39.234 38.000 -0.153 0.000 1.407 478 I HN 0.054 nan 8.210 nan 0.000 0.501 479 S N 6.802 122.523 115.700 0.036 0.000 2.442 479 S HA 0.477 4.951 4.470 0.007 0.000 0.297 479 S C 0.088 174.729 174.600 0.068 0.000 1.131 479 S CA -0.566 57.673 58.200 0.066 0.000 1.092 479 S CB 1.048 64.263 63.200 0.025 0.000 0.998 479 S HN 0.266 nan 8.310 nan 0.000 0.478 480 I N 4.859 125.511 120.570 0.137 0.000 2.269 480 I HA 0.198 4.372 4.170 0.007 0.000 0.293 480 I C 1.043 177.266 176.117 0.178 0.000 1.106 480 I CA -0.299 61.106 61.300 0.174 0.000 1.248 480 I CB -0.792 37.392 38.000 0.307 0.000 1.444 480 I HN 0.544 nan 8.210 nan 0.000 0.497 481 T N 4.091 118.695 114.554 0.082 0.000 2.936 481 T HA 0.565 4.919 4.350 0.007 0.000 0.282 481 T C -2.621 171.977 174.700 -0.171 0.000 1.003 481 T CA -2.138 59.976 62.100 0.022 0.000 1.005 481 T CB 1.018 69.883 68.868 -0.004 0.000 1.097 481 T HN 0.203 nan 8.240 nan 0.000 0.532 482 P HA 0.322 nan 4.420 nan 0.000 0.261 482 P C -0.813 176.082 177.300 -0.676 0.000 1.203 482 P CA 0.109 62.554 63.100 -1.093 0.000 0.767 482 P CB 0.055 30.989 31.700 -1.277 0.000 0.785 483 N N 2.057 120.429 118.700 -0.546 0.000 2.321 483 N HA 0.373 5.117 4.740 0.007 0.000 0.290 483 N C -1.670 173.810 175.510 -0.051 0.000 1.212 483 N CA -0.750 52.175 53.050 -0.208 0.000 0.767 483 N CB 0.873 39.310 38.487 -0.083 0.000 1.494 483 N HN 0.158 nan 8.380 nan 0.000 0.479 484 Y N 0.788 121.038 120.300 -0.084 0.000 2.299 484 Y HA 0.529 5.083 4.550 0.007 0.000 0.326 484 Y C -0.348 175.591 175.900 0.064 0.000 1.164 484 Y CA 0.027 58.124 58.100 -0.005 0.000 1.234 484 Y CB 1.056 39.511 38.460 -0.008 0.000 1.219 484 Y HN 0.380 nan 8.280 nan 0.000 0.497 485 S N 5.141 120.563 115.700 -0.464 0.000 2.385 485 S HA 0.261 4.735 4.470 0.007 0.000 0.191 485 S C 0.223 174.588 174.600 -0.392 0.000 1.196 485 S CA -0.589 57.449 58.200 -0.271 0.000 1.178 485 S CB -0.057 63.080 63.200 -0.105 0.000 1.258 485 S HN 0.640 nan 8.310 nan 0.000 0.430 486 V N 3.760 123.480 119.914 -0.323 0.000 2.278 486 V HA -0.241 3.883 4.120 0.007 0.000 0.251 486 V C 2.780 178.777 176.094 -0.162 0.000 1.062 486 V CA 2.797 64.988 62.300 -0.182 0.000 1.038 486 V CB -1.150 30.779 31.823 0.178 0.000 0.646 486 V HN 0.971 nan 8.190 nan 0.000 0.447 487 S N 0.765 116.404 115.700 -0.102 0.000 2.372 487 S HA -0.307 4.167 4.470 0.007 0.000 0.227 487 S C 1.993 176.462 174.600 -0.218 0.000 1.044 487 S CA 1.846 59.996 58.200 -0.084 0.000 1.050 487 S CB -0.602 62.632 63.200 0.055 0.000 0.901 487 S HN 0.626 nan 8.310 nan 0.000 0.447 488 R N 0.744 121.144 120.500 -0.167 0.000 2.153 488 R HA 0.251 4.595 4.340 0.007 0.000 0.218 488 R C 2.378 178.583 176.300 -0.158 0.000 1.072 488 R CA 0.875 56.875 56.100 -0.167 0.000 0.990 488 R CB -0.570 29.681 30.300 -0.081 0.000 0.889 488 R HN 0.424 nan 8.270 nan 0.000 0.452 489 L N 0.534 121.614 121.223 -0.238 0.000 2.201 489 L HA -0.091 4.253 4.340 0.007 0.000 0.212 489 L C 2.129 178.840 176.870 -0.266 0.000 1.105 489 L CA 0.953 55.612 54.840 -0.301 0.000 0.775 489 L CB -0.162 41.669 42.059 -0.381 0.000 0.913 489 L HN 0.116 nan 8.230 nan 0.000 0.440 490 I N -1.320 119.106 120.570 -0.240 0.000 2.830 490 I HA -0.275 3.899 4.170 0.007 0.000 0.263 490 I C 2.159 178.167 176.117 -0.182 0.000 1.230 490 I CA 0.828 61.997 61.300 -0.218 0.000 1.480 490 I CB -0.142 37.639 38.000 -0.365 0.000 1.095 490 I HN 0.179 nan 8.210 nan 0.000 0.455 491 F N 0.828 120.581 119.950 -0.329 0.000 2.187 491 F HA -0.103 4.428 4.527 0.007 0.000 0.295 491 F C 2.208 177.934 175.800 -0.123 0.000 1.091 491 F CA 1.328 59.199 58.000 -0.215 0.000 1.308 491 F CB -0.301 38.571 39.000 -0.215 0.000 1.030 491 F HN -0.224 nan 8.300 nan 0.000 0.487 492 V N 0.832 120.660 119.914 -0.144 0.000 2.244 492 V HA -0.251 3.873 4.120 0.007 0.000 0.244 492 V C 2.522 178.500 176.094 -0.192 0.000 1.042 492 V CA 2.265 64.461 62.300 -0.173 0.000 1.006 492 V CB -0.747 31.001 31.823 -0.125 0.000 0.641 492 V HN 0.250 nan 8.190 nan 0.000 0.446 493 R N -0.277 120.084 120.500 -0.232 0.000 2.062 493 R HA -0.095 4.249 4.340 0.007 0.000 0.229 493 R C 2.050 178.003 176.300 -0.578 0.000 1.128 493 R CA 1.739 57.648 56.100 -0.319 0.000 0.960 493 R CB -0.491 29.582 30.300 -0.378 0.000 0.855 493 R HN 0.617 nan 8.270 nan 0.000 0.432 494 H N -1.458 117.345 119.070 -0.445 0.000 2.549 494 H HA 0.294 4.855 4.556 0.007 0.000 0.279 494 H C 0.531 175.442 175.328 -0.695 0.000 1.018 494 H CA 0.443 56.011 56.048 -0.800 0.000 1.175 494 H CB 0.582 29.491 29.762 -1.422 0.000 1.485 494 H HN 0.235 nan 8.280 nan 0.000 0.543 495 M N -1.123 118.261 119.600 -0.360 0.000 2.314 495 M HA 0.199 4.683 4.480 0.007 0.000 0.383 495 M C 0.727 176.829 176.300 -0.331 0.000 0.984 495 M CA -0.016 55.118 55.300 -0.277 0.000 0.982 495 M CB 1.593 34.059 32.600 -0.223 0.000 1.745 495 M HN 0.217 nan 8.290 nan 0.000 0.600 496 G N 1.635 110.263 108.800 -0.286 0.000 2.390 496 G HA2 -0.204 3.760 3.960 0.007 0.000 0.299 496 G HA3 -0.204 3.760 3.960 0.007 0.000 0.299 496 G C 0.172 174.937 174.900 -0.225 0.000 1.002 496 G CA 0.299 45.289 45.100 -0.183 0.000 0.979 496 G HN 0.595 nan 8.290 nan 0.000 0.513 497 G N -1.953 106.559 108.800 -0.481 0.000 2.461 497 G HA2 0.703 4.667 3.960 0.007 0.000 0.329 497 G HA3 0.703 4.667 3.960 0.007 0.000 0.329 497 G C -0.456 174.406 174.900 -0.063 0.000 1.170 497 G CA -0.433 44.362 45.100 -0.509 0.000 0.935 497 G HN 0.805 nan 8.290 nan 0.000 0.492 498 V N 1.142 121.169 119.914 0.188 0.000 2.398 498 V HA 0.385 4.509 4.120 0.007 0.000 0.286 498 V C 0.089 176.385 176.094 0.337 0.000 1.026 498 V CA -0.638 61.800 62.300 0.229 0.000 0.868 498 V CB 1.382 33.313 31.823 0.180 0.000 0.982 498 V HN 0.558 nan 8.190 nan 0.000 0.443 499 L N 4.371 125.728 121.223 0.224 0.000 2.309 499 L HA 0.880 5.224 4.340 0.007 0.000 0.282 499 L C 0.013 176.925 176.870 0.070 0.000 1.036 499 L CA -0.286 54.675 54.840 0.201 0.000 0.806 499 L CB 1.638 43.741 42.059 0.072 0.000 1.220 499 L HN 0.809 nan 8.230 nan 0.000 0.429 500 A N 4.128 127.017 122.820 0.116 0.000 2.488 500 A HA 0.663 4.987 4.320 0.007 0.000 0.295 500 A C -1.631 176.054 177.584 0.169 0.000 1.045 500 A CA -0.411 51.668 52.037 0.070 0.000 0.703 500 A CB 1.841 20.848 19.000 0.012 0.000 1.271 500 A HN 0.350 nan 8.150 nan 0.000 0.400 501 V N 1.824 121.879 119.914 0.234 0.000 2.407 501 V HA 0.674 4.798 4.120 0.007 0.000 0.291 501 V C 0.480 176.776 176.094 0.337 0.000 1.018 501 V CA -0.240 62.283 62.300 0.373 0.000 0.842 501 V CB 1.432 33.551 31.823 0.493 0.000 0.996 501 V HN 1.373 nan 8.190 nan 0.000 0.426 502 A N 3.666 126.688 122.820 0.337 0.000 2.289 502 A HA 0.548 4.872 4.320 0.007 0.000 0.298 502 A C 0.231 178.021 177.584 0.343 0.000 1.208 502 A CA -0.455 51.781 52.037 0.332 0.000 0.845 502 A CB -0.121 19.102 19.000 0.372 0.000 1.125 502 A HN 0.887 nan 8.150 nan 0.000 0.517 503 N N 2.635 121.510 118.700 0.292 0.000 3.250 503 N HA 0.210 4.954 4.740 0.007 0.000 0.307 503 N C 0.474 176.253 175.510 0.448 0.000 1.355 503 N CA -0.281 52.967 53.050 0.330 0.000 1.192 503 N CB 0.062 38.690 38.487 0.235 0.000 1.478 503 N HN 0.793 nan 8.380 nan 0.000 0.543 504 I N -2.323 118.447 120.570 0.333 0.000 3.161 504 I HA 0.048 4.222 4.170 0.007 0.000 0.284 504 I C 0.587 176.714 176.117 0.017 0.000 1.252 504 I CA -0.326 61.088 61.300 0.189 0.000 1.374 504 I CB 0.692 38.775 38.000 0.139 0.000 1.359 504 I HN 0.164 nan 8.210 nan 0.000 0.606 505 R N 1.881 122.128 120.500 -0.422 0.000 2.827 505 R HA 0.296 4.640 4.340 0.007 0.000 0.269 505 R C 1.105 177.133 176.300 -0.453 0.000 1.048 505 R CA 1.053 56.607 56.100 -0.911 0.000 1.173 505 R CB 0.257 29.956 30.300 -1.002 0.000 1.070 505 R HN 1.077 nan 8.270 nan 0.000 0.498 506 G N -0.188 108.382 108.800 -0.383 0.000 2.238 506 G HA2 -0.199 3.765 3.960 0.007 0.000 0.217 506 G HA3 -0.199 3.765 3.960 0.007 0.000 0.217 506 G C 0.367 175.330 174.900 0.104 0.000 0.996 506 G CA -0.261 44.745 45.100 -0.156 0.000 0.632 506 G HN 0.883 nan 8.290 nan 0.000 0.503 507 G N -0.761 108.147 108.800 0.180 0.000 2.583 507 G HA2 0.608 4.572 3.960 0.007 0.000 0.280 507 G HA3 0.608 4.572 3.960 0.007 0.000 0.280 507 G C 0.874 176.014 174.900 0.400 0.000 1.376 507 G CA 0.067 45.348 45.100 0.301 0.000 1.043 507 G HN 1.291 nan 8.290 nan 0.000 0.538 508 G N -1.369 107.599 108.800 0.279 0.000 3.774 508 G HA2 0.320 4.284 3.960 0.007 0.000 0.287 508 G HA3 0.320 4.284 3.960 0.007 0.000 0.287 508 G C 0.740 175.688 174.900 0.080 0.000 1.030 508 G CA 0.063 45.297 45.100 0.222 0.000 0.824 508 G HN 0.492 nan 8.290 nan 0.000 0.518 509 E N -0.014 120.188 120.200 0.004 0.000 2.209 509 E HA -0.110 4.244 4.350 0.007 0.000 0.196 509 E C 0.245 176.372 176.600 -0.788 0.000 0.993 509 E CA 1.077 57.245 56.400 -0.388 0.000 0.819 509 E CB -0.149 29.289 29.700 -0.437 0.000 0.745 509 E HN 0.656 nan 8.360 nan 0.000 0.477 510 Y N -0.586 119.458 120.300 -0.427 0.000 2.672 510 Y HA 0.393 4.947 4.550 0.007 0.000 0.272 510 Y C 0.601 176.514 175.900 0.021 0.000 1.055 510 Y CA -0.252 57.650 58.100 -0.331 0.000 1.151 510 Y CB 0.970 38.983 38.460 -0.746 0.000 1.190 510 Y HN 0.077 nan 8.280 nan 0.000 0.574 511 G N 0.640 109.561 108.800 0.202 0.000 2.796 511 G HA2 -0.322 3.642 3.960 0.007 0.000 0.571 511 G HA3 -0.322 3.642 3.960 0.007 0.000 0.571 511 G C 0.405 175.491 174.900 0.309 0.000 1.370 511 G CA 0.024 45.288 45.100 0.274 0.000 0.856 511 G HN 0.306 nan 8.290 nan 0.000 0.538 512 E N -0.414 119.925 120.200 0.232 0.000 2.130 512 E HA -0.151 4.203 4.350 0.007 0.000 0.196 512 E C 2.806 179.536 176.600 0.215 0.000 0.998 512 E CA 3.245 59.779 56.400 0.223 0.000 0.806 512 E CB -0.567 29.187 29.700 0.090 0.000 0.738 512 E HN 1.070 nan 8.360 nan 0.000 0.459 513 T N -1.889 112.775 114.554 0.182 0.000 2.699 513 T HA -0.233 4.121 4.350 0.007 0.000 0.268 513 T C 1.831 176.665 174.700 0.223 0.000 1.036 513 T CA 1.354 63.547 62.100 0.156 0.000 1.147 513 T CB -1.043 67.916 68.868 0.152 0.000 0.862 513 T HN 0.454 nan 8.240 nan 0.000 0.446 514 W N 1.727 123.082 121.300 0.092 0.000 2.381 514 W HA -0.152 4.512 4.660 0.008 0.000 0.301 514 W C 2.402 178.971 176.519 0.083 0.000 1.205 514 W CA 1.335 58.740 57.345 0.101 0.000 1.285 514 W CB -0.425 29.150 29.460 0.192 0.000 1.133 514 W HN 0.516 nan 8.180 nan 0.000 0.521 515 H N 0.864 120.040 119.070 0.177 0.000 2.267 515 H HA -0.184 4.376 4.556 0.007 0.000 0.297 515 H C 1.989 177.250 175.328 -0.111 0.000 1.080 515 H CA 2.089 58.147 56.048 0.016 0.000 1.278 515 H CB -0.198 29.594 29.762 0.051 0.000 1.365 515 H HN 0.043 nan 8.280 nan 0.000 0.489 516 K N -0.055 120.188 120.400 -0.261 0.000 2.360 516 K HA -0.063 4.261 4.320 0.007 0.000 0.201 516 K C 2.037 178.450 176.600 -0.313 0.000 1.046 516 K CA 0.668 56.736 56.287 -0.364 0.000 0.945 516 K CB -0.013 32.364 32.500 -0.204 0.000 0.750 516 K HN 0.380 nan 8.250 nan 0.000 0.464 517 G N 0.406 109.043 108.800 -0.271 0.000 2.848 517 G HA2 -0.035 3.930 3.960 0.007 0.000 0.208 517 G HA3 -0.035 3.930 3.960 0.007 0.000 0.208 517 G C 0.713 175.370 174.900 -0.405 0.000 1.152 517 G CA 0.416 45.325 45.100 -0.318 0.000 0.789 517 G HN 0.364 nan 8.290 nan 0.000 0.531 518 G N 0.225 108.770 108.800 -0.424 0.000 4.773 518 G HA2 0.493 4.457 3.960 0.007 0.000 0.269 518 G HA3 0.493 4.457 3.960 0.007 0.000 0.269 518 G C -0.109 174.513 174.900 -0.463 0.000 0.992 518 G CA -0.237 44.590 45.100 -0.454 0.000 0.775 518 G HN 0.487 nan 8.290 nan 0.000 0.471 519 I N -3.857 116.432 120.570 -0.470 0.000 3.264 519 I HA 0.713 4.887 4.170 0.007 0.000 0.315 519 I C 1.049 176.900 176.117 -0.445 0.000 1.154 519 I CA -1.315 59.710 61.300 -0.457 0.000 0.962 519 I CB 1.299 38.974 38.000 -0.542 0.000 1.265 519 I HN 0.054 nan 8.210 nan 0.000 0.463 520 L N 0.277 121.285 121.223 -0.357 0.000 5.154 520 L HA -0.413 3.931 4.340 0.007 0.000 0.053 520 L C 1.964 178.222 176.870 -1.019 0.000 3.137 520 L CA 1.674 56.208 54.840 -0.509 0.000 1.466 520 L CB -1.820 39.940 42.059 -0.498 0.000 2.980 520 L HN 0.978 nan 8.230 nan 0.000 0.938 521 A N -0.713 121.246 122.820 -1.435 0.000 2.016 521 A HA -0.024 4.300 4.320 0.007 0.000 0.217 521 A C 1.418 178.579 177.584 -0.705 0.000 1.162 521 A CA 1.735 52.901 52.037 -1.452 0.000 0.662 521 A CB -0.434 17.889 19.000 -1.129 0.000 0.812 521 A HN 0.703 nan 8.150 nan 0.000 0.450 522 N N -0.362 118.009 118.700 -0.547 0.000 2.314 522 N HA 0.006 4.750 4.740 0.007 0.000 0.200 522 N C 1.141 176.385 175.510 -0.444 0.000 1.135 522 N CA 0.484 53.286 53.050 -0.414 0.000 0.835 522 N CB 0.280 38.550 38.487 -0.362 0.000 0.989 522 N HN 0.457 nan 8.380 nan 0.000 0.478 523 K N 1.547 121.659 120.400 -0.481 0.000 2.113 523 K HA -0.205 4.119 4.320 0.007 0.000 0.208 523 K C 1.886 177.983 176.600 -0.839 0.000 1.047 523 K CA 1.248 57.168 56.287 -0.610 0.000 0.928 523 K CB -0.051 32.133 32.500 -0.526 0.000 0.716 523 K HN -0.005 nan 8.250 nan 0.000 0.446 524 Q N 0.550 120.022 119.800 -0.548 0.000 2.297 524 Q HA -0.113 4.232 4.340 0.007 0.000 0.208 524 Q C 1.339 177.100 176.000 -0.397 0.000 0.981 524 Q CA 1.571 57.131 55.803 -0.405 0.000 0.876 524 Q CB -0.301 28.392 28.738 -0.074 0.000 0.921 524 Q HN 0.369 nan 8.270 nan 0.000 0.446 525 N N -0.711 117.751 118.700 -0.397 0.000 2.149 525 N HA -0.151 4.593 4.740 0.007 0.000 0.188 525 N C 1.490 176.794 175.510 -0.344 0.000 1.019 525 N CA 1.508 54.369 53.050 -0.316 0.000 0.857 525 N CB -0.575 37.710 38.487 -0.336 0.000 0.997 525 N HN 0.398 nan 8.380 nan 0.000 0.426 526 C N -0.009 118.964 119.300 -0.546 0.000 2.429 526 C HA -0.045 4.419 4.460 0.007 0.000 0.277 526 C C 2.479 177.304 174.990 -0.274 0.000 1.262 526 C CA 0.181 58.905 59.018 -0.490 0.000 1.733 526 C CB -1.647 25.677 27.740 -0.693 0.000 2.010 526 C HN 0.375 nan 8.230 nan 0.000 0.483 527 F N 1.468 121.342 119.950 -0.128 0.000 2.259 527 F HA -0.088 4.443 4.527 0.006 0.000 0.298 527 F C 2.226 178.062 175.800 0.060 0.000 1.088 527 F CA 0.795 58.772 58.000 -0.038 0.000 1.358 527 F CB -0.491 38.461 39.000 -0.081 0.000 1.040 527 F HN 0.199 nan 8.300 nan 0.000 0.505 528 D N 0.539 121.024 120.400 0.142 0.000 2.103 528 D HA -0.140 4.504 4.640 0.007 0.000 0.199 528 D C 1.714 178.105 176.300 0.151 0.000 0.978 528 D CA 1.278 55.351 54.000 0.123 0.000 0.829 528 D CB -0.604 40.223 40.800 0.045 0.000 0.981 528 D HN 0.156 nan 8.370 nan 0.000 0.464 529 D N 0.009 120.480 120.400 0.119 0.000 2.116 529 D HA -0.169 4.475 4.640 0.007 0.000 0.193 529 D C 1.794 178.293 176.300 0.333 0.000 0.998 529 D CA 0.601 54.721 54.000 0.200 0.000 0.836 529 D CB -0.512 40.346 40.800 0.096 0.000 0.951 529 D HN 0.157 nan 8.370 nan 0.000 0.449 530 F N 1.105 121.132 119.950 0.128 0.000 2.234 530 F HA -0.085 4.446 4.527 0.006 0.000 0.299 530 F C 2.357 178.241 175.800 0.140 0.000 1.087 530 F CA 1.157 59.231 58.000 0.123 0.000 1.340 530 F CB -0.050 38.998 39.000 0.080 0.000 1.031 530 F HN -0.083 nan 8.300 nan 0.000 0.500 531 Q N -1.428 118.525 119.800 0.255 0.000 2.172 531 Q HA -0.170 4.174 4.340 0.007 0.000 0.200 531 Q C 2.398 178.422 176.000 0.040 0.000 0.964 531 Q CA 1.547 57.452 55.803 0.168 0.000 0.855 531 Q CB -0.359 28.496 28.738 0.194 0.000 0.918 531 Q HN 0.413 nan 8.270 nan 0.000 0.444 532 C N -0.125 119.220 119.300 0.076 0.000 2.435 532 C HA -0.023 4.441 4.460 0.007 0.000 0.279 532 C C 2.727 177.599 174.990 -0.197 0.000 1.321 532 C CA 0.695 59.742 59.018 0.049 0.000 1.752 532 C CB -0.910 26.971 27.740 0.234 0.000 1.959 532 C HN 0.606 nan 8.230 nan 0.000 0.500 533 A N 0.260 122.854 122.820 -0.377 0.000 1.969 533 A HA 0.128 4.453 4.320 0.007 0.000 0.218 533 A C 2.293 179.664 177.584 -0.355 0.000 1.169 533 A CA 1.835 53.427 52.037 -0.743 0.000 0.635 533 A CB -0.576 18.110 19.000 -0.523 0.000 0.810 533 A HN 0.553 nan 8.150 nan 0.000 0.445 534 A N 0.010 122.681 122.820 -0.248 0.000 1.897 534 A HA -0.088 4.236 4.320 0.007 0.000 0.215 534 A C 1.904 179.425 177.584 -0.105 0.000 1.181 534 A CA 1.303 53.254 52.037 -0.144 0.000 0.620 534 A CB -0.407 18.547 19.000 -0.076 0.000 0.821 534 A HN 0.584 nan 8.150 nan 0.000 0.443 535 E N -1.343 118.797 120.200 -0.100 0.000 2.110 535 E HA -0.220 4.134 4.350 0.007 0.000 0.193 535 E C 1.847 178.435 176.600 -0.021 0.000 0.988 535 E CA 1.434 57.795 56.400 -0.065 0.000 0.804 535 E CB -0.382 29.295 29.700 -0.038 0.000 0.745 535 E HN 0.799 nan 8.360 nan 0.000 0.458 536 Y N 1.927 122.140 120.300 -0.145 0.000 2.097 536 Y HA -0.223 4.331 4.550 0.007 0.000 0.282 536 Y C 2.153 178.053 175.900 -0.001 0.000 1.152 536 Y CA 1.506 59.547 58.100 -0.097 0.000 1.136 536 Y CB -0.278 38.040 38.460 -0.237 0.000 0.975 536 Y HN -0.083 nan 8.280 nan 0.000 0.498 537 L N -0.389 120.924 121.223 0.150 0.000 2.127 537 L HA -0.246 4.098 4.340 0.007 0.000 0.211 537 L C 2.325 179.260 176.870 0.109 0.000 1.089 537 L CA 1.502 56.463 54.840 0.202 0.000 0.757 537 L CB -0.529 41.614 42.059 0.139 0.000 0.899 537 L HN 0.336 nan 8.230 nan 0.000 0.434 538 I N -0.049 120.528 120.570 0.011 0.000 2.286 538 I HA -0.264 3.910 4.170 0.007 0.000 0.245 538 I C 2.678 178.756 176.117 -0.066 0.000 1.104 538 I CA 1.202 62.490 61.300 -0.021 0.000 1.397 538 I CB -0.214 37.755 38.000 -0.051 0.000 1.072 538 I HN 0.247 nan 8.210 nan 0.000 0.417 539 K N 0.759 121.095 120.400 -0.106 0.000 2.103 539 K HA -0.127 4.197 4.320 0.007 0.000 0.204 539 K C 1.494 177.981 176.600 -0.188 0.000 1.052 539 K CA 1.263 57.471 56.287 -0.132 0.000 0.945 539 K CB -0.067 32.357 32.500 -0.127 0.000 0.722 539 K HN 0.103 nan 8.250 nan 0.000 0.443 540 E N 0.207 120.235 120.200 -0.287 0.000 2.511 540 E HA 0.004 4.358 4.350 0.007 0.000 0.196 540 E C 0.976 177.364 176.600 -0.354 0.000 1.066 540 E CA 0.861 57.054 56.400 -0.347 0.000 0.871 540 E CB 0.390 29.797 29.700 -0.487 0.000 0.863 540 E HN 0.692 nan 8.360 nan 0.000 0.520 541 G N 0.444 109.106 108.800 -0.230 0.000 2.176 541 G HA2 -0.361 3.603 3.960 0.007 0.000 0.253 541 G HA3 -0.361 3.603 3.960 0.007 0.000 0.253 541 G C 0.841 175.647 174.900 -0.157 0.000 0.979 541 G CA 0.439 45.421 45.100 -0.197 0.000 0.641 541 G HN 0.367 nan 8.290 nan 0.000 0.530 542 Y N 0.223 120.524 120.300 0.001 0.000 2.200 542 Y HA 0.290 4.844 4.550 0.007 0.000 0.290 542 Y C 2.155 178.139 175.900 0.140 0.000 1.137 542 Y CA 2.086 60.217 58.100 0.053 0.000 1.163 542 Y CB 0.182 38.663 38.460 0.035 0.000 0.988 542 Y HN 0.389 nan 8.280 nan 0.000 0.518 543 T N -2.252 112.441 114.554 0.232 0.000 2.671 543 T HA 0.545 4.900 4.350 0.007 0.000 0.300 543 T C -1.257 173.491 174.700 0.079 0.000 1.238 543 T CA -0.730 61.471 62.100 0.169 0.000 1.020 543 T CB 1.376 70.362 68.868 0.197 0.000 1.503 543 T HN -0.122 nan 8.240 nan 0.000 0.497 544 S N 1.326 117.063 115.700 0.062 0.000 2.570 544 S HA 0.533 5.007 4.470 0.007 0.000 0.286 544 S C -1.908 172.705 174.600 0.022 0.000 1.099 544 S CA -1.197 57.015 58.200 0.020 0.000 0.913 544 S CB 2.040 65.243 63.200 0.005 0.000 1.085 544 S HN 0.568 nan 8.310 nan 0.000 0.480 545 P HA -0.214 nan 4.420 nan 0.000 0.215 545 P C 1.511 178.823 177.300 0.020 0.000 1.163 545 P CA 1.760 64.835 63.100 -0.041 0.000 0.894 545 P CB -0.349 31.296 31.700 -0.092 0.000 0.791 546 K N 0.326 120.739 120.400 0.022 0.000 2.362 546 K HA -0.115 4.209 4.320 0.007 0.000 0.202 546 K C 1.580 178.226 176.600 0.077 0.000 1.045 546 K CA 1.265 57.579 56.287 0.045 0.000 0.936 546 K CB -1.486 31.032 32.500 0.031 0.000 0.747 546 K HN 0.408 nan 8.250 nan 0.000 0.467 547 R N -0.338 120.217 120.500 0.090 0.000 2.565 547 R HA 0.415 4.759 4.340 0.007 0.000 0.347 547 R C -0.012 176.401 176.300 0.187 0.000 1.010 547 R CA -0.406 55.773 56.100 0.132 0.000 1.126 547 R CB 0.102 30.471 30.300 0.115 0.000 1.331 547 R HN 0.279 nan 8.270 nan 0.000 0.552 548 L N 0.924 122.252 121.223 0.175 0.000 2.275 548 L HA 0.441 4.785 4.340 0.007 0.000 0.288 548 L C -0.813 176.200 176.870 0.238 0.000 1.046 548 L CA 0.337 55.304 54.840 0.211 0.000 0.805 548 L CB 1.685 43.849 42.059 0.174 0.000 1.193 548 L HN -0.036 nan 8.230 nan 0.000 0.426 549 T N 6.818 121.504 114.554 0.219 0.000 2.823 549 T HA 0.636 4.990 4.350 0.007 0.000 0.279 549 T C -0.299 174.364 174.700 -0.062 0.000 0.998 549 T CA -0.252 61.930 62.100 0.138 0.000 0.994 549 T CB 1.030 70.034 68.868 0.226 0.000 0.960 549 T HN 0.631 nan 8.240 nan 0.000 0.448 550 I N 0.968 121.452 120.570 -0.144 0.000 2.569 550 I HA 0.687 4.861 4.170 0.007 0.000 0.296 550 I C -0.639 175.308 176.117 -0.285 0.000 1.028 550 I CA -0.758 60.397 61.300 -0.242 0.000 1.082 550 I CB 2.020 39.885 38.000 -0.225 0.000 1.264 550 I HN 0.482 nan 8.210 nan 0.000 0.429 551 N N 3.244 121.735 118.700 -0.347 0.000 2.242 551 N HA 0.790 5.534 4.740 0.007 0.000 0.292 551 N C -1.176 174.185 175.510 -0.249 0.000 1.125 551 N CA -0.519 52.386 53.050 -0.241 0.000 0.783 551 N CB 2.752 41.115 38.487 -0.206 0.000 1.558 551 N HN 1.075 nan 8.380 nan 0.000 0.472 552 G N -0.064 108.609 108.800 -0.212 0.000 2.703 552 G HA2 0.584 4.548 3.960 0.007 0.000 0.294 552 G HA3 0.584 4.548 3.960 0.007 0.000 0.294 552 G C -1.462 173.360 174.900 -0.129 0.000 1.451 552 G CA -0.619 44.289 45.100 -0.321 0.000 0.869 552 G HN 0.601 nan 8.290 nan 0.000 0.516 553 G N -0.763 108.010 108.800 -0.045 0.000 2.524 553 G HA2 0.707 4.671 3.960 0.007 0.000 0.310 553 G HA3 0.707 4.671 3.960 0.007 0.000 0.310 553 G C 0.432 175.316 174.900 -0.028 0.000 1.279 553 G CA 0.905 45.994 45.100 -0.018 0.000 0.974 553 G HN 2.103 nan 8.290 nan 0.000 0.484 554 S N 0.497 116.146 115.700 -0.086 0.000 4.150 554 S HA -0.379 4.095 4.470 0.007 0.000 0.575 554 S C 1.934 176.415 174.600 -0.198 0.000 1.878 554 S CA 1.844 60.003 58.200 -0.068 0.000 4.245 554 S CB -1.656 61.598 63.200 0.090 0.000 0.231 554 S HN 1.117 nan 8.310 nan 0.000 0.469 555 N N 1.760 120.278 118.700 -0.303 0.000 2.289 555 N HA -0.060 4.684 4.740 0.007 0.000 0.184 555 N C 1.723 176.913 175.510 -0.533 0.000 1.016 555 N CA 1.520 54.294 53.050 -0.459 0.000 0.872 555 N CB -0.927 37.160 38.487 -0.666 0.000 0.973 555 N HN 0.693 nan 8.380 nan 0.000 0.433 556 G N -0.495 107.974 108.800 -0.551 0.000 2.744 556 G HA2 -0.010 3.954 3.960 0.007 0.000 0.211 556 G HA3 -0.010 3.954 3.960 0.007 0.000 0.211 556 G C 1.331 176.023 174.900 -0.346 0.000 1.143 556 G CA 0.554 45.388 45.100 -0.442 0.000 0.788 556 G HN 0.400 nan 8.290 nan 0.000 0.534 557 G N 0.874 109.514 108.800 -0.267 0.000 2.453 557 G HA2 -0.007 3.957 3.960 0.007 0.000 0.215 557 G HA3 -0.007 3.957 3.960 0.007 0.000 0.215 557 G C 1.639 176.384 174.900 -0.259 0.000 1.147 557 G CA 0.851 45.817 45.100 -0.225 0.000 0.802 557 G HN 0.409 nan 8.290 nan 0.000 0.535 558 L N 0.514 121.575 121.223 -0.269 0.000 2.093 558 L HA 0.118 4.462 4.340 0.007 0.000 0.208 558 L C 2.407 179.114 176.870 -0.272 0.000 1.085 558 L CA 1.572 56.253 54.840 -0.265 0.000 0.755 558 L CB -0.675 41.255 42.059 -0.216 0.000 0.904 558 L HN 0.161 nan 8.230 nan 0.000 0.435 559 L N -0.110 120.959 121.223 -0.258 0.000 1.970 559 L HA -0.145 4.199 4.340 0.007 0.000 0.212 559 L C 2.584 179.235 176.870 -0.365 0.000 1.071 559 L CA 2.548 57.230 54.840 -0.264 0.000 0.751 559 L CB -1.058 40.724 42.059 -0.461 0.000 0.889 559 L HN 0.319 nan 8.230 nan 0.000 0.432 560 V N -2.056 117.627 119.914 -0.385 0.000 2.427 560 V HA -0.072 4.052 4.120 0.007 0.000 0.248 560 V C 2.520 178.463 176.094 -0.253 0.000 1.051 560 V CA 1.426 63.536 62.300 -0.318 0.000 1.048 560 V CB -1.907 29.748 31.823 -0.280 0.000 0.666 560 V HN 0.500 nan 8.190 nan 0.000 0.456 561 A N 0.615 123.293 122.820 -0.237 0.000 1.933 561 A HA -0.140 4.185 4.320 0.007 0.000 0.218 561 A C 2.339 179.803 177.584 -0.200 0.000 1.175 561 A CA 2.576 54.505 52.037 -0.179 0.000 0.628 561 A CB -1.238 17.550 19.000 -0.352 0.000 0.814 561 A HN 0.566 nan 8.150 nan 0.000 0.444 562 T N -1.092 113.247 114.554 -0.358 0.000 2.812 562 T HA -0.132 4.222 4.350 0.007 0.000 0.264 562 T C 1.900 176.386 174.700 -0.358 0.000 1.042 562 T CA 1.448 63.264 62.100 -0.474 0.000 1.140 562 T CB -0.541 67.683 68.868 -1.074 0.000 0.870 562 T HN 0.571 nan 8.240 nan 0.000 0.445 563 C N 1.747 120.871 119.300 -0.292 0.000 2.425 563 C HA 0.107 4.571 4.460 0.007 0.000 0.277 563 C C 3.191 178.195 174.990 0.024 0.000 1.280 563 C CA 0.308 59.286 59.018 -0.068 0.000 1.744 563 C CB -1.374 26.383 27.740 0.029 0.000 1.989 563 C HN 0.645 nan 8.230 nan 0.000 0.491 564 A N 1.113 123.886 122.820 -0.078 0.000 1.978 564 A HA -0.205 4.119 4.320 0.007 0.000 0.220 564 A C 1.881 179.398 177.584 -0.112 0.000 1.170 564 A CA 2.040 54.053 52.037 -0.040 0.000 0.636 564 A CB -0.531 18.460 19.000 -0.015 0.000 0.810 564 A HN 0.641 nan 8.150 nan 0.000 0.448 565 N N -0.467 118.222 118.700 -0.019 0.000 2.216 565 N HA -0.075 4.669 4.740 0.007 0.000 0.183 565 N C 1.857 177.372 175.510 0.008 0.000 1.017 565 N CA 1.346 54.423 53.050 0.044 0.000 0.861 565 N CB -0.272 38.280 38.487 0.108 0.000 0.986 565 N HN 0.674 nan 8.380 nan 0.000 0.428 566 Q N -0.651 119.149 119.800 -0.001 0.000 2.302 566 Q HA 0.174 4.518 4.340 0.007 0.000 0.202 566 Q C -0.103 175.917 176.000 0.035 0.000 0.936 566 Q CA 0.647 56.465 55.803 0.024 0.000 0.886 566 Q CB 0.696 29.450 28.738 0.026 0.000 0.986 566 Q HN 0.005 nan 8.270 nan 0.000 0.487 567 R N 0.219 120.757 120.500 0.062 0.000 2.754 567 R HA 0.168 4.512 4.340 0.007 0.000 0.255 567 R C -2.360 173.962 176.300 0.035 0.000 1.723 567 R CA -1.301 54.817 56.100 0.031 0.000 1.596 567 R CB 0.816 31.133 30.300 0.028 0.000 1.424 567 R HN 0.061 nan 8.270 nan 0.000 0.662 568 P HA -0.113 nan 4.420 nan 0.000 0.223 568 P C 0.590 177.848 177.300 -0.070 0.000 1.151 568 P CA 0.979 64.014 63.100 -0.108 0.000 0.787 568 P CB 0.314 31.773 31.700 -0.402 0.000 0.788 569 D N -0.730 119.605 120.400 -0.107 0.000 2.348 569 D HA -0.088 4.556 4.640 0.007 0.000 0.216 569 D C 1.582 177.756 176.300 -0.209 0.000 0.970 569 D CA 0.313 54.246 54.000 -0.112 0.000 0.889 569 D CB -0.494 40.252 40.800 -0.089 0.000 0.912 569 D HN 0.096 nan 8.370 nan 0.000 0.524 570 L N -0.553 120.421 121.223 -0.416 0.000 2.529 570 L HA 0.273 4.617 4.340 0.007 0.000 0.223 570 L C -0.391 175.870 176.870 -1.014 0.000 1.113 570 L CA 0.397 54.756 54.840 -0.801 0.000 0.861 570 L CB -0.299 41.077 42.059 -1.138 0.000 1.012 570 L HN -0.125 nan 8.230 nan 0.000 0.461 571 F N -2.811 117.128 119.950 -0.019 0.000 2.626 571 F HA 0.610 5.140 4.527 0.006 0.000 0.311 571 F C 1.112 176.924 175.800 0.021 0.000 1.088 571 F CA -0.699 57.303 58.000 0.003 0.000 0.949 571 F CB 1.127 40.130 39.000 0.005 0.000 1.322 571 F HN -0.334 nan 8.300 nan 0.000 0.461 572 G N -0.719 108.223 108.800 0.238 0.000 3.192 572 G HA2 0.360 4.324 3.960 0.007 0.000 0.239 572 G HA3 0.360 4.324 3.960 0.007 0.000 0.239 572 G C -0.911 174.088 174.900 0.165 0.000 1.084 572 G CA -0.052 45.145 45.100 0.163 0.000 0.784 572 G HN 0.670 nan 8.290 nan 0.000 0.540 573 C N -0.040 119.379 119.300 0.198 0.000 3.181 573 C HA 0.619 5.083 4.460 0.007 0.000 0.362 573 C C -1.551 173.539 174.990 0.166 0.000 1.125 573 C CA -0.460 58.680 59.018 0.204 0.000 1.265 573 C CB 1.050 28.907 27.740 0.194 0.000 1.632 573 C HN 0.090 nan 8.230 nan 0.000 0.525 574 V N 6.556 126.583 119.914 0.188 0.000 2.569 574 V HA 0.543 4.667 4.120 0.007 0.000 0.301 574 V C -0.833 175.289 176.094 0.047 0.000 1.044 574 V CA -0.402 61.930 62.300 0.053 0.000 0.874 574 V CB 1.695 33.525 31.823 0.012 0.000 1.002 574 V HN 0.676 nan 8.190 nan 0.000 0.424 575 I N 4.161 124.719 120.570 -0.020 0.000 2.405 575 I HA 0.635 4.809 4.170 0.007 0.000 0.280 575 I C 0.404 176.475 176.117 -0.077 0.000 1.027 575 I CA -0.425 60.837 61.300 -0.063 0.000 1.161 575 I CB 1.433 39.408 38.000 -0.042 0.000 1.300 575 I HN 0.690 nan 8.210 nan 0.000 0.463 576 A N 6.799 129.575 122.820 -0.075 0.000 2.260 576 A HA 0.619 4.943 4.320 0.007 0.000 0.314 576 A C -0.095 177.452 177.584 -0.063 0.000 1.257 576 A CA -0.498 51.493 52.037 -0.076 0.000 0.871 576 A CB 0.765 19.733 19.000 -0.054 0.000 1.166 576 A HN 0.712 nan 8.150 nan 0.000 0.522 577 Q N 1.260 121.021 119.800 -0.064 0.000 2.271 577 Q HA 0.444 4.788 4.340 0.007 0.000 0.258 577 Q C 0.286 176.243 176.000 -0.073 0.000 0.936 577 Q CA -0.573 55.196 55.803 -0.056 0.000 0.909 577 Q CB 2.048 30.762 28.738 -0.040 0.000 1.253 577 Q HN 1.419 nan 8.270 nan 0.000 0.440 578 V N 0.467 120.349 119.914 -0.054 0.000 5.674 578 V HA -0.242 3.882 4.120 0.007 0.000 0.156 578 V C 0.158 176.229 176.094 -0.037 0.000 0.726 578 V CA 0.959 63.242 62.300 -0.029 0.000 0.518 578 V CB -2.093 29.683 31.823 -0.079 0.000 0.181 578 V HN 0.794 nan 8.190 nan 0.000 0.381 579 G N 1.538 110.302 108.800 -0.061 0.000 2.491 579 G HA2 0.683 4.647 3.960 0.007 0.000 0.327 579 G HA3 0.683 4.647 3.960 0.007 0.000 0.327 579 G C -0.449 174.338 174.900 -0.188 0.000 1.189 579 G CA -0.514 44.508 45.100 -0.130 0.000 0.956 579 G HN 1.204 nan 8.290 nan 0.000 0.491 580 V N 1.436 121.188 119.914 -0.269 0.000 2.432 580 V HA 0.284 4.408 4.120 0.007 0.000 0.275 580 V C 0.371 176.346 176.094 -0.200 0.000 1.043 580 V CA -0.412 61.679 62.300 -0.349 0.000 0.925 580 V CB 1.414 33.035 31.823 -0.336 0.000 0.985 580 V HN 0.697 nan 8.190 nan 0.000 0.466 581 M N 0.983 120.598 119.600 0.026 0.000 2.532 581 M HA 0.294 4.778 4.480 0.007 0.000 0.244 581 M C 0.413 176.758 176.300 0.074 0.000 1.390 581 M CA 0.293 55.537 55.300 -0.092 0.000 1.132 581 M CB -0.075 32.414 32.600 -0.186 0.000 1.466 581 M HN 0.609 nan 8.290 nan 0.000 0.550 582 D N 1.965 122.587 120.400 0.369 0.000 2.456 582 D HA 0.235 4.879 4.640 0.007 0.000 0.219 582 D C 0.632 177.198 176.300 0.443 0.000 1.126 582 D CA 0.020 54.208 54.000 0.312 0.000 0.890 582 D CB 0.872 41.781 40.800 0.182 0.000 1.025 582 D HN -0.011 nan 8.370 nan 0.000 0.511 583 M N 3.153 122.942 119.600 0.315 0.000 2.618 583 M HA 0.043 4.527 4.480 0.007 0.000 0.240 583 M C 1.418 177.954 176.300 0.394 0.000 1.123 583 M CA 0.311 55.798 55.300 0.312 0.000 1.060 583 M CB -0.007 32.581 32.600 -0.019 0.000 1.535 583 M HN 0.457 nan 8.290 nan 0.000 0.507 584 L N -0.490 120.910 121.223 0.294 0.000 2.463 584 L HA -0.030 4.314 4.340 0.007 0.000 0.219 584 L C 1.242 178.291 176.870 0.298 0.000 1.088 584 L CA 0.746 55.682 54.840 0.161 0.000 0.849 584 L CB 0.095 42.077 42.059 -0.129 0.000 1.012 584 L HN 0.275 nan 8.230 nan 0.000 0.468 585 K N -0.780 119.779 120.400 0.266 0.000 2.483 585 K HA 0.110 4.434 4.320 0.007 0.000 0.206 585 K C 1.346 177.859 176.600 -0.144 0.000 1.086 585 K CA -0.142 56.126 56.287 -0.031 0.000 1.052 585 K CB 0.276 32.791 32.500 0.025 0.000 0.904 585 K HN 0.043 nan 8.250 nan 0.000 0.557 586 F N 2.263 122.392 119.950 0.298 0.000 2.236 586 F HA -0.248 4.283 4.527 0.006 0.000 0.302 586 F C 2.051 177.926 175.800 0.125 0.000 1.073 586 F CA 1.347 59.605 58.000 0.431 0.000 1.336 586 F CB -0.810 38.551 39.000 0.603 0.000 1.040 586 F HN 0.162 nan 8.300 nan 0.000 0.507 587 H N 0.179 118.682 119.070 -0.944 0.000 2.555 587 H HA 0.163 4.723 4.556 0.007 0.000 0.269 587 H C 1.164 176.243 175.328 -0.414 0.000 0.988 587 H CA 0.834 56.471 56.048 -0.685 0.000 1.178 587 H CB -0.593 28.727 29.762 -0.737 0.000 1.373 587 H HN 0.415 nan 8.280 nan 0.000 0.588 588 K N 0.142 119.938 120.400 -1.006 0.000 2.400 588 K HA 0.095 4.420 4.320 0.007 0.000 0.194 588 K C -0.456 175.644 176.600 -0.832 0.000 1.033 588 K CA 0.189 55.890 56.287 -0.977 0.000 1.021 588 K CB 0.362 32.103 32.500 -1.265 0.000 0.808 588 K HN 0.257 nan 8.250 nan 0.000 0.505 589 Y N 0.524 120.744 120.300 -0.133 0.000 2.409 589 Y HA 0.051 4.605 4.550 0.007 0.000 0.339 589 Y C 1.502 177.339 175.900 -0.105 0.000 1.033 589 Y CA -0.793 57.267 58.100 -0.068 0.000 1.094 589 Y CB 1.393 39.854 38.460 0.001 0.000 1.210 589 Y HN 0.142 nan 8.280 nan 0.000 0.456 590 T N -0.365 114.240 114.554 0.086 0.000 8.188 590 T HA -0.408 3.946 4.350 0.007 0.000 0.253 590 T C 0.743 175.338 174.700 -0.174 0.000 1.618 590 T CA 1.893 63.980 62.100 -0.022 0.000 1.500 590 T CB -1.020 67.848 68.868 -0.000 0.000 1.763 590 T HN 0.601 nan 8.240 nan 0.000 0.450 591 I N 2.549 122.949 120.570 -0.284 0.000 3.904 591 I HA 0.493 4.667 4.170 0.007 0.000 0.333 591 I C 2.114 177.594 176.117 -1.061 0.000 1.361 591 I CA 0.525 61.461 61.300 -0.607 0.000 1.116 591 I CB -0.538 37.278 38.000 -0.305 0.000 1.028 591 I HN 0.729 nan 8.210 nan 0.000 0.398 592 G N 0.633 108.838 108.800 -0.992 0.000 2.448 592 G HA2 -0.279 3.685 3.960 0.007 0.000 0.219 592 G HA3 -0.279 3.685 3.960 0.007 0.000 0.219 592 G C 1.549 176.026 174.900 -0.705 0.000 1.127 592 G CA 1.088 45.375 45.100 -1.355 0.000 0.766 592 G HN 0.701 nan 8.290 nan 0.000 0.552 593 H N -0.409 118.453 119.070 -0.346 0.000 2.518 593 H HA 0.192 4.752 4.556 0.007 0.000 0.289 593 H C 2.328 177.612 175.328 -0.074 0.000 1.051 593 H CA 0.813 56.778 56.048 -0.140 0.000 1.280 593 H CB -0.224 29.472 29.762 -0.110 0.000 1.380 593 H HN 0.334 nan 8.280 nan 0.000 0.566 594 A N 1.263 123.893 122.820 -0.318 0.000 2.067 594 A HA -0.058 4.266 4.320 0.007 0.000 0.217 594 A C 1.429 179.151 177.584 0.229 0.000 1.156 594 A CA 0.284 52.282 52.037 -0.064 0.000 0.683 594 A CB -0.635 18.220 19.000 -0.242 0.000 0.808 594 A HN 0.486 nan 8.150 nan 0.000 0.455 595 W N 0.972 122.456 121.300 0.307 0.000 3.180 595 W HA 0.074 4.738 4.660 0.006 0.000 0.254 595 W C 1.894 178.605 176.519 0.320 0.000 1.318 595 W CA 0.874 58.439 57.345 0.367 0.000 1.608 595 W CB -1.748 27.932 29.460 0.366 0.000 1.124 595 W HN 0.519 nan 8.180 nan 0.000 0.694 596 T N -2.360 112.548 114.554 0.590 0.000 2.962 596 T HA -0.171 4.183 4.350 0.007 0.000 0.270 596 T C 1.675 176.534 174.700 0.264 0.000 1.088 596 T CA 1.833 64.237 62.100 0.505 0.000 1.127 596 T CB -0.730 68.362 68.868 0.374 0.000 0.883 596 T HN 0.144 nan 8.240 nan 0.000 0.493 597 T N -1.729 112.931 114.554 0.177 0.000 3.113 597 T HA 0.068 4.422 4.350 0.007 0.000 0.263 597 T C 1.180 175.843 174.700 -0.061 0.000 1.143 597 T CA 1.005 63.146 62.100 0.070 0.000 1.090 597 T CB -0.206 68.702 68.868 0.067 0.000 0.922 597 T HN 0.360 nan 8.240 nan 0.000 0.521 598 D N -0.691 119.591 120.400 -0.196 0.000 2.514 598 D HA 0.244 4.888 4.640 0.007 0.000 0.249 598 D C 1.110 177.199 176.300 -0.352 0.000 1.036 598 D CA 0.113 53.802 54.000 -0.519 0.000 0.911 598 D CB 0.392 40.419 40.800 -1.287 0.000 1.145 598 D HN 0.536 nan 8.370 nan 0.000 0.495 599 Y N -0.372 119.927 120.300 -0.001 0.000 2.558 599 Y HA 0.434 4.988 4.550 0.007 0.000 0.273 599 Y C 1.353 177.408 175.900 0.259 0.000 1.100 599 Y CA -0.020 58.146 58.100 0.110 0.000 1.276 599 Y CB 0.985 39.488 38.460 0.072 0.000 1.196 599 Y HN 0.000 nan 8.280 nan 0.000 0.527 600 G N 0.008 109.068 108.800 0.432 0.000 2.566 600 G HA2 -0.146 3.818 3.960 0.007 0.000 0.599 600 G HA3 -0.146 3.818 3.960 0.007 0.000 0.599 600 G C -1.634 173.564 174.900 0.497 0.000 1.292 600 G CA -0.945 44.341 45.100 0.310 0.000 0.922 600 G HN 0.313 nan 8.290 nan 0.000 0.514 601 C N 0.204 119.795 119.300 0.486 0.000 2.498 601 C HA 0.766 5.230 4.460 0.007 0.000 0.316 601 C C 2.010 177.033 174.990 0.055 0.000 1.209 601 C CA 0.616 59.688 59.018 0.089 0.000 1.518 601 C CB 0.933 28.613 27.740 -0.099 0.000 2.147 601 C HN 1.971 nan 8.230 nan 0.000 0.483 602 S N 1.786 117.482 115.700 -0.008 0.000 2.547 602 S HA -0.094 4.380 4.470 0.007 0.000 0.235 602 S C 0.797 175.559 174.600 0.270 0.000 0.980 602 S CA 1.331 59.660 58.200 0.216 0.000 0.941 602 S CB -0.299 63.080 63.200 0.297 0.000 0.763 602 S HN 0.856 nan 8.310 nan 0.000 0.532 603 D N 1.878 122.301 120.400 0.038 0.000 2.312 603 D HA 0.065 4.709 4.640 0.007 0.000 0.211 603 D C 0.791 177.153 176.300 0.104 0.000 0.964 603 D CA 0.649 54.685 54.000 0.059 0.000 0.877 603 D CB 0.053 40.810 40.800 -0.071 0.000 0.924 603 D HN 0.533 nan 8.370 nan 0.000 0.515 604 S N 0.307 115.949 115.700 -0.098 0.000 2.462 604 S HA 0.178 4.652 4.470 0.007 0.000 0.294 604 S C 1.137 175.371 174.600 -0.611 0.000 1.144 604 S CA -0.823 57.145 58.200 -0.387 0.000 1.088 604 S CB 1.667 64.414 63.200 -0.756 0.000 1.009 604 S HN 0.110 nan 8.310 nan 0.000 0.484 605 K N 3.431 123.251 120.400 -0.966 0.000 2.280 605 K HA -0.140 4.184 4.320 0.007 0.000 0.202 605 K C 1.686 177.996 176.600 -0.483 0.000 1.047 605 K CA 1.118 56.775 56.287 -1.050 0.000 0.942 605 K CB -0.147 31.915 32.500 -0.731 0.000 0.739 605 K HN 0.697 nan 8.250 nan 0.000 0.457 606 Q N 0.488 120.022 119.800 -0.442 0.000 2.096 606 Q HA -0.106 4.238 4.340 0.007 0.000 0.197 606 Q C 1.724 177.269 176.000 -0.759 0.000 0.964 606 Q CA 1.176 56.747 55.803 -0.388 0.000 0.838 606 Q CB 0.023 28.628 28.738 -0.221 0.000 0.906 606 Q HN 0.682 nan 8.270 nan 0.000 0.444 607 H N -1.166 117.323 119.070 -0.969 0.000 2.363 607 H HA -0.106 4.454 4.556 0.006 0.000 0.301 607 H C 1.917 176.831 175.328 -0.689 0.000 1.074 607 H CA 0.758 56.039 56.048 -1.278 0.000 1.354 607 H CB -0.092 29.307 29.762 -0.606 0.000 1.397 607 H HN 0.222 nan 8.280 nan 0.000 0.516 608 F N 2.803 122.540 119.950 -0.355 0.000 2.111 608 F HA -0.280 4.250 4.527 0.005 0.000 0.300 608 F C 2.181 177.814 175.800 -0.278 0.000 1.088 608 F CA 1.488 59.345 58.000 -0.238 0.000 1.243 608 F CB -0.077 38.859 39.000 -0.106 0.000 0.996 608 F HN 0.080 nan 8.300 nan 0.000 0.483 609 E N -0.294 119.704 120.200 -0.337 0.000 2.153 609 E HA -0.228 4.126 4.350 0.007 0.000 0.194 609 E C 2.171 178.681 176.600 -0.151 0.000 0.988 609 E CA 1.466 57.699 56.400 -0.280 0.000 0.811 609 E CB -0.696 28.924 29.700 -0.133 0.000 0.746 609 E HN 0.580 nan 8.360 nan 0.000 0.466 610 W N 0.886 122.109 121.300 -0.128 0.000 2.452 610 W HA 0.056 4.719 4.660 0.005 0.000 0.313 610 W C 2.355 178.707 176.519 -0.278 0.000 1.176 610 W CA 0.055 57.352 57.345 -0.079 0.000 1.350 610 W CB -1.414 28.059 29.460 0.022 0.000 1.148 610 W HN 0.021 nan 8.180 nan 0.000 0.498 611 L N 0.199 121.300 121.223 -0.203 0.000 2.013 611 L HA -0.253 4.091 4.340 0.007 0.000 0.212 611 L C 2.424 178.879 176.870 -0.692 0.000 1.073 611 L CA 1.164 55.618 54.840 -0.643 0.000 0.753 611 L CB -1.250 40.591 42.059 -0.363 0.000 0.890 611 L HN -0.143 nan 8.230 nan 0.000 0.432 612 I N 0.026 120.170 120.570 -0.710 0.000 2.657 612 I HA -0.263 3.911 4.170 0.007 0.000 0.261 612 I C 2.248 178.167 176.117 -0.329 0.000 1.212 612 I CA 1.529 62.437 61.300 -0.653 0.000 1.453 612 I CB -0.466 36.986 38.000 -0.913 0.000 1.092 612 I HN 0.125 nan 8.210 nan 0.000 0.452 613 K N -1.064 119.191 120.400 -0.242 0.000 2.305 613 K HA -0.079 4.245 4.320 0.007 0.000 0.199 613 K C 1.255 177.894 176.600 0.066 0.000 1.047 613 K CA 1.347 57.612 56.287 -0.036 0.000 0.976 613 K CB 0.026 32.572 32.500 0.076 0.000 0.765 613 K HN 0.605 nan 8.250 nan 0.000 0.474 614 Y N -3.530 116.776 120.300 0.010 0.000 2.425 614 Y HA 0.357 4.910 4.550 0.007 0.000 0.261 614 Y C 0.386 176.242 175.900 -0.074 0.000 1.084 614 Y CA -0.863 57.222 58.100 -0.024 0.000 1.248 614 Y CB -0.232 38.285 38.460 0.095 0.000 1.270 614 Y HN -0.262 nan 8.280 nan 0.000 0.524 615 S N 4.294 119.879 115.700 -0.191 0.000 3.225 615 S HA -0.017 4.457 4.470 0.007 0.000 0.378 615 S C -1.376 173.235 174.600 0.018 0.000 1.190 615 S CA -0.597 57.576 58.200 -0.046 0.000 1.104 615 S CB 0.411 63.657 63.200 0.076 0.000 0.795 615 S HN 0.244 nan 8.310 nan 0.000 0.517 616 P HA -0.141 nan 4.420 nan 0.000 0.216 616 P C 1.567 178.826 177.300 -0.069 0.000 1.153 616 P CA 0.574 63.539 63.100 -0.225 0.000 0.858 616 P CB 0.046 31.357 31.700 -0.649 0.000 0.789 617 L N -0.884 120.264 121.223 -0.126 0.000 2.083 617 L HA -0.161 4.184 4.340 0.007 0.000 0.209 617 L C 1.510 178.254 176.870 -0.210 0.000 1.083 617 L CA 2.084 56.868 54.840 -0.093 0.000 0.752 617 L CB -1.357 40.488 42.059 -0.356 0.000 0.899 617 L HN 0.098 nan 8.230 nan 0.000 0.433 618 H N -1.778 117.329 119.070 0.063 0.000 2.529 618 H HA 0.299 4.860 4.556 0.007 0.000 0.277 618 H C 0.665 176.023 175.328 0.049 0.000 1.004 618 H CA 0.211 56.285 56.048 0.043 0.000 1.167 618 H CB -0.149 29.602 29.762 -0.018 0.000 1.445 618 H HN 0.310 nan 8.280 nan 0.000 0.554 619 N N 0.481 119.271 118.700 0.150 0.000 2.241 619 N HA 0.083 4.827 4.740 0.007 0.000 0.238 619 N C -0.657 174.952 175.510 0.166 0.000 1.244 619 N CA 0.096 53.227 53.050 0.135 0.000 0.880 619 N CB 1.754 40.302 38.487 0.102 0.000 1.179 619 N HN 0.015 nan 8.380 nan 0.000 0.513 620 V N 1.845 121.862 119.914 0.172 0.000 2.572 620 V HA 0.155 4.280 4.120 0.007 0.000 0.291 620 V C 0.426 176.585 176.094 0.108 0.000 1.039 620 V CA 0.290 62.684 62.300 0.158 0.000 1.055 620 V CB 0.853 32.701 31.823 0.042 0.000 0.969 620 V HN 0.144 nan 8.190 nan 0.000 0.482 621 K N 5.170 125.661 120.400 0.151 0.000 2.561 621 K HA 0.386 4.710 4.320 0.007 0.000 0.254 621 K C -1.532 175.177 176.600 0.181 0.000 0.942 621 K CA -0.824 55.536 56.287 0.121 0.000 0.818 621 K CB 1.833 34.411 32.500 0.130 0.000 1.306 621 K HN 0.577 nan 8.250 nan 0.000 0.435 622 L N 5.350 126.624 121.223 0.085 0.000 2.410 622 L HA 0.258 4.602 4.340 0.007 0.000 0.273 622 L C -1.930 175.024 176.870 0.141 0.000 1.144 622 L CA -1.557 53.352 54.840 0.115 0.000 0.863 622 L CB 0.791 42.866 42.059 0.026 0.000 1.140 622 L HN 0.616 nan 8.230 nan 0.000 0.463 623 P HA 0.049 nan 4.420 nan 0.000 0.266 623 P C 0.441 177.785 177.300 0.073 0.000 1.193 623 P CA 0.250 63.417 63.100 0.111 0.000 0.770 623 P CB 0.612 32.371 31.700 0.097 0.000 0.836 624 E N 1.628 121.861 120.200 0.055 0.000 2.216 624 E HA 0.104 4.458 4.350 0.007 0.000 0.192 624 E C 1.133 177.753 176.600 0.034 0.000 0.988 624 E CA 0.869 57.294 56.400 0.041 0.000 0.834 624 E CB -0.565 29.157 29.700 0.036 0.000 0.772 624 E HN 0.711 nan 8.360 nan 0.000 0.479 625 A N 1.532 124.372 122.820 0.033 0.000 2.451 625 A HA 0.323 4.647 4.320 0.007 0.000 0.266 625 A C 0.651 178.252 177.584 0.029 0.000 1.119 625 A CA 0.083 52.136 52.037 0.026 0.000 0.786 625 A CB 0.248 19.260 19.000 0.021 0.000 1.061 625 A HN 0.238 nan 8.150 nan 0.000 0.503 626 D N 1.625 122.039 120.400 0.024 0.000 2.104 626 D HA -0.171 4.473 4.640 0.007 0.000 0.194 626 D C 1.276 177.591 176.300 0.025 0.000 0.994 626 D CA 1.985 55.999 54.000 0.023 0.000 0.830 626 D CB -0.043 40.767 40.800 0.018 0.000 0.959 626 D HN 0.809 nan 8.370 nan 0.000 0.452 627 D N 0.008 120.421 120.400 0.021 0.000 2.371 627 D HA -0.098 4.546 4.640 0.007 0.000 0.234 627 D C 0.413 176.728 176.300 0.024 0.000 1.049 627 D CA 0.184 54.195 54.000 0.020 0.000 0.907 627 D CB 0.107 40.915 40.800 0.012 0.000 0.891 627 D HN 0.191 nan 8.370 nan 0.000 0.531 628 I N 1.578 122.166 120.570 0.031 0.000 2.406 628 I HA 0.251 4.425 4.170 0.007 0.000 0.290 628 I C 0.141 176.297 176.117 0.066 0.000 0.999 628 I CA -0.681 60.640 61.300 0.036 0.000 1.124 628 I CB 1.584 39.597 38.000 0.023 0.000 1.289 628 I HN 0.063 nan 8.210 nan 0.000 0.441 629 Q N 4.975 124.823 119.800 0.081 0.000 2.496 629 Q HA 0.490 4.834 4.340 0.007 0.000 0.286 629 Q C -1.582 174.523 176.000 0.175 0.000 1.103 629 Q CA -0.817 55.070 55.803 0.140 0.000 0.813 629 Q CB 1.974 30.784 28.738 0.119 0.000 1.444 629 Q HN 0.375 nan 8.270 nan 0.000 0.443 630 Y N 1.145 121.479 120.300 0.057 0.000 2.457 630 Y HA 0.230 4.784 4.550 0.006 0.000 0.341 630 Y C -1.959 173.998 175.900 0.095 0.000 1.240 630 Y CA -1.305 56.839 58.100 0.073 0.000 1.437 630 Y CB 0.458 38.949 38.460 0.051 0.000 1.328 630 Y HN 0.552 nan 8.280 nan 0.000 0.588 631 P HA 0.083 nan 4.420 nan 0.000 0.274 631 P C -0.843 176.592 177.300 0.225 0.000 1.237 631 P CA -0.333 62.874 63.100 0.178 0.000 0.793 631 P CB 0.566 32.371 31.700 0.175 0.000 0.977 632 S N 1.420 117.245 115.700 0.209 0.000 2.549 632 S HA 0.242 4.716 4.470 0.007 0.000 0.286 632 S C 0.206 175.044 174.600 0.396 0.000 1.314 632 S CA 0.253 58.612 58.200 0.265 0.000 1.062 632 S CB -0.547 62.712 63.200 0.099 0.000 0.865 632 S HN 0.316 nan 8.310 nan 0.000 0.498 633 M N 3.339 123.177 119.600 0.396 0.000 2.327 633 M HA 0.441 4.925 4.480 0.007 0.000 0.298 633 M C -1.432 174.819 176.300 -0.082 0.000 1.065 633 M CA -0.706 54.715 55.300 0.201 0.000 0.916 633 M CB 1.924 34.598 32.600 0.124 0.000 1.630 633 M HN 0.445 nan 8.290 nan 0.000 0.442 634 L N 5.167 126.175 121.223 -0.358 0.000 2.343 634 L HA 0.638 4.982 4.340 0.007 0.000 0.278 634 L C -1.833 174.871 176.870 -0.276 0.000 0.996 634 L CA -0.211 54.263 54.840 -0.610 0.000 0.831 634 L CB 1.286 42.589 42.059 -1.260 0.000 1.232 634 L HN 0.668 nan 8.230 nan 0.000 0.413 635 L N 6.103 127.226 121.223 -0.167 0.000 2.282 635 L HA 0.529 4.873 4.340 0.007 0.000 0.288 635 L C -0.730 176.106 176.870 -0.056 0.000 1.033 635 L CA -0.525 54.276 54.840 -0.065 0.000 0.807 635 L CB 1.460 43.525 42.059 0.009 0.000 1.209 635 L HN 0.511 nan 8.230 nan 0.000 0.423 636 L N 3.011 124.209 121.223 -0.040 0.000 2.313 636 L HA 0.675 5.020 4.340 0.007 0.000 0.283 636 L C -0.028 176.834 176.870 -0.013 0.000 1.013 636 L CA -0.075 54.755 54.840 -0.015 0.000 0.816 636 L CB 1.967 44.017 42.059 -0.013 0.000 1.236 636 L HN 0.606 nan 8.230 nan 0.000 0.419 637 T N 1.752 116.294 114.554 -0.019 0.000 2.754 637 T HA 0.877 5.231 4.350 0.007 0.000 0.296 637 T C -1.736 172.947 174.700 -0.028 0.000 1.205 637 T CA -0.287 61.810 62.100 -0.005 0.000 1.009 637 T CB 2.087 70.968 68.868 0.021 0.000 1.368 637 T HN 0.701 nan 8.240 nan 0.000 0.509 638 A N 0.822 123.647 122.820 0.009 0.000 2.572 638 A HA 0.613 4.937 4.320 0.007 0.000 0.295 638 A C 0.341 177.948 177.584 0.039 0.000 1.072 638 A CA -0.155 51.890 52.037 0.014 0.000 0.691 638 A CB 1.350 20.378 19.000 0.047 0.000 1.291 638 A HN 0.879 nan 8.150 nan 0.000 0.404 639 D N -0.200 120.222 120.400 0.036 0.000 2.264 639 D HA -0.135 4.509 4.640 0.007 0.000 0.208 639 D C 0.672 176.922 176.300 -0.082 0.000 0.966 639 D CA 1.957 55.950 54.000 -0.012 0.000 0.864 639 D CB -0.298 40.489 40.800 -0.022 0.000 0.933 639 D HN 0.662 nan 8.370 nan 0.000 0.499 640 H N -0.769 118.332 119.070 0.052 0.000 2.505 640 H HA 0.202 4.762 4.556 0.007 0.000 0.289 640 H C -0.451 174.929 175.328 0.086 0.000 1.052 640 H CA -0.342 55.749 56.048 0.071 0.000 1.156 640 H CB 0.119 29.922 29.762 0.068 0.000 1.507 640 H HN 0.002 nan 8.280 nan 0.000 0.548 641 D N 1.485 121.977 120.400 0.155 0.000 2.383 641 D HA -0.051 4.594 4.640 0.007 0.000 0.245 641 D C 0.163 176.541 176.300 0.130 0.000 1.263 641 D CA -0.073 54.027 54.000 0.168 0.000 0.936 641 D CB 0.298 41.212 40.800 0.191 0.000 1.053 641 D HN 0.427 nan 8.370 nan 0.000 0.507 642 D N 2.130 122.594 120.400 0.108 0.000 2.328 642 D HA -0.029 4.615 4.640 0.007 0.000 0.221 642 D C 1.503 177.837 176.300 0.057 0.000 1.072 642 D CA -0.145 53.898 54.000 0.071 0.000 0.850 642 D CB 0.267 41.093 40.800 0.042 0.000 0.922 642 D HN 0.182 nan 8.370 nan 0.000 0.516 643 R N 0.578 121.101 120.500 0.040 0.000 2.055 643 R HA 0.176 4.520 4.340 0.007 0.000 0.221 643 R C 0.040 176.443 176.300 0.172 0.000 1.154 643 R CA 0.891 56.987 56.100 -0.006 0.000 0.975 643 R CB -0.107 29.915 30.300 -0.464 0.000 0.869 643 R HN 0.029 nan 8.270 nan 0.000 0.437 644 V N 3.431 123.413 119.914 0.113 0.000 2.276 644 V HA 0.260 4.384 4.120 0.007 0.000 0.268 644 V C -0.501 175.747 176.094 0.258 0.000 1.032 644 V CA -1.026 61.426 62.300 0.255 0.000 0.810 644 V CB 0.941 32.831 31.823 0.111 0.000 1.060 644 V HN 0.261 nan 8.190 nan 0.000 0.446 645 V N 3.669 123.765 119.914 0.303 0.000 2.902 645 V HA 0.018 4.142 4.120 0.007 0.000 0.297 645 V C -1.142 175.086 176.094 0.224 0.000 1.230 645 V CA -0.330 62.091 62.300 0.201 0.000 1.344 645 V CB -0.056 31.805 31.823 0.064 0.000 0.889 645 V HN 0.596 nan 8.190 nan 0.000 0.515 646 P HA -0.049 nan 4.420 nan 0.000 0.225 646 P C 1.455 178.777 177.300 0.037 0.000 1.148 646 P CA 0.875 64.021 63.100 0.078 0.000 0.779 646 P CB -0.124 31.598 31.700 0.036 0.000 0.780 647 L N -3.554 117.634 121.223 -0.059 0.000 2.261 647 L HA -0.151 4.193 4.340 0.007 0.000 0.216 647 L C 2.245 179.037 176.870 -0.130 0.000 1.114 647 L CA 1.858 56.595 54.840 -0.172 0.000 0.777 647 L CB -2.062 39.793 42.059 -0.340 0.000 0.910 647 L HN 0.061 nan 8.230 nan 0.000 0.440 648 H N 0.070 119.126 119.070 -0.023 0.000 2.321 648 H HA -0.057 4.503 4.556 0.007 0.000 0.300 648 H C 2.323 177.675 175.328 0.040 0.000 1.087 648 H CA 1.821 57.882 56.048 0.022 0.000 1.319 648 H CB 0.017 29.811 29.762 0.054 0.000 1.379 648 H HN 0.477 nan 8.280 nan 0.000 0.501 649 S N 0.384 116.192 115.700 0.179 0.000 2.395 649 S HA -0.001 4.474 4.470 0.007 0.000 0.225 649 S C 2.443 177.112 174.600 0.114 0.000 1.027 649 S CA 0.137 58.433 58.200 0.160 0.000 0.965 649 S CB 0.026 63.292 63.200 0.110 0.000 0.812 649 S HN 0.214 nan 8.310 nan 0.000 0.482 650 L N 1.368 122.621 121.223 0.049 0.000 1.994 650 L HA -0.145 4.199 4.340 0.007 0.000 0.208 650 L C 2.442 179.211 176.870 -0.169 0.000 1.071 650 L CA 1.377 56.220 54.840 0.005 0.000 0.745 650 L CB -0.561 41.438 42.059 -0.100 0.000 0.892 650 L HN 0.285 nan 8.230 nan 0.000 0.431 651 K N -0.669 119.615 120.400 -0.193 0.000 2.057 651 K HA -0.180 4.144 4.320 0.007 0.000 0.206 651 K C 2.117 178.658 176.600 -0.097 0.000 1.050 651 K CA 1.188 57.342 56.287 -0.222 0.000 0.935 651 K CB -0.342 32.076 32.500 -0.137 0.000 0.715 651 K HN 0.071 nan 8.250 nan 0.000 0.439 652 F N 2.186 122.053 119.950 -0.139 0.000 2.126 652 F HA -0.211 4.320 4.527 0.006 0.000 0.299 652 F C 2.097 177.823 175.800 -0.124 0.000 1.096 652 F CA 0.817 58.752 58.000 -0.108 0.000 1.255 652 F CB -0.331 38.633 39.000 -0.060 0.000 0.997 652 F HN -0.111 nan 8.300 nan 0.000 0.479 653 I N 0.539 120.986 120.570 -0.205 0.000 2.202 653 I HA -0.113 4.061 4.170 0.007 0.000 0.242 653 I C 2.492 178.415 176.117 -0.324 0.000 1.091 653 I CA 1.631 62.751 61.300 -0.301 0.000 1.368 653 I CB -1.268 36.663 38.000 -0.114 0.000 1.058 653 I HN 0.119 nan 8.210 nan 0.000 0.410 654 A N -0.677 121.963 122.820 -0.300 0.000 1.892 654 A HA -0.286 4.038 4.320 0.007 0.000 0.218 654 A C 2.363 179.622 177.584 -0.543 0.000 1.188 654 A CA 2.790 54.507 52.037 -0.534 0.000 0.631 654 A CB -1.546 16.731 19.000 -1.204 0.000 0.822 654 A HN 0.492 nan 8.150 nan 0.000 0.447 655 T N 0.434 114.732 114.554 -0.427 0.000 2.684 655 T HA -0.112 4.242 4.350 0.007 0.000 0.267 655 T C 1.827 176.416 174.700 -0.186 0.000 1.036 655 T CA 1.485 63.517 62.100 -0.114 0.000 1.148 655 T CB -0.414 68.433 68.868 -0.035 0.000 0.863 655 T HN 0.380 nan 8.240 nan 0.000 0.436 656 L N 0.715 121.686 121.223 -0.419 0.000 1.970 656 L HA -0.185 4.159 4.340 0.007 0.000 0.212 656 L C 2.954 179.596 176.870 -0.380 0.000 1.071 656 L CA 1.605 56.159 54.840 -0.478 0.000 0.751 656 L CB -0.683 41.000 42.059 -0.628 0.000 0.889 656 L HN 0.320 nan 8.230 nan 0.000 0.432 657 Q N -1.318 118.233 119.800 -0.415 0.000 2.181 657 Q HA -0.268 4.076 4.340 0.007 0.000 0.205 657 Q C 2.004 177.888 176.000 -0.193 0.000 0.980 657 Q CA 2.000 57.512 55.803 -0.484 0.000 0.862 657 Q CB -0.265 28.089 28.738 -0.641 0.000 0.905 657 Q HN 0.480 nan 8.270 nan 0.000 0.429 658 Y N 0.875 121.066 120.300 -0.182 0.000 2.153 658 Y HA -0.175 4.379 4.550 0.006 0.000 0.289 658 Y C 1.943 177.806 175.900 -0.061 0.000 1.119 658 Y CA 1.142 59.211 58.100 -0.053 0.000 1.116 658 Y CB -0.005 38.492 38.460 0.061 0.000 1.004 658 Y HN -0.022 nan 8.280 nan 0.000 0.501 659 I N -0.744 119.807 120.570 -0.032 0.000 2.252 659 I HA -0.189 3.985 4.170 0.007 0.000 0.245 659 I C 2.037 178.029 176.117 -0.208 0.000 1.102 659 I CA 1.277 62.503 61.300 -0.124 0.000 1.385 659 I CB -1.273 36.706 38.000 -0.035 0.000 1.064 659 I HN 0.225 nan 8.210 nan 0.000 0.414 660 V N 0.269 120.029 119.914 -0.257 0.000 2.743 660 V HA 0.207 4.332 4.120 0.007 0.000 0.237 660 V C 2.563 178.555 176.094 -0.169 0.000 1.113 660 V CA 1.141 63.282 62.300 -0.265 0.000 1.141 660 V CB -0.983 30.545 31.823 -0.491 0.000 0.873 660 V HN 0.359 nan 8.190 nan 0.000 0.486 661 G N 0.298 108.986 108.800 -0.186 0.000 2.507 661 G HA2 -0.276 3.688 3.960 0.007 0.000 0.221 661 G HA3 -0.276 3.688 3.960 0.007 0.000 0.221 661 G C 1.647 176.567 174.900 0.034 0.000 1.119 661 G CA 0.821 45.894 45.100 -0.044 0.000 0.751 661 G HN 0.371 nan 8.290 nan 0.000 0.574 662 R N 0.160 120.618 120.500 -0.069 0.000 2.276 662 R HA 0.097 4.441 4.340 0.007 0.000 0.203 662 R C 1.383 177.633 176.300 -0.082 0.000 1.017 662 R CA 0.226 56.276 56.100 -0.083 0.000 1.010 662 R CB -0.085 30.090 30.300 -0.208 0.000 0.900 662 R HN 0.354 nan 8.270 nan 0.000 0.469 663 S N 0.177 115.832 115.700 -0.075 0.000 2.585 663 S HA 0.071 4.545 4.470 0.007 0.000 0.273 663 S C 1.282 175.865 174.600 -0.028 0.000 1.339 663 S CA -0.608 57.561 58.200 -0.052 0.000 1.028 663 S CB 1.023 64.200 63.200 -0.039 0.000 0.906 663 S HN 0.092 nan 8.310 nan 0.000 0.528 664 R N 2.769 123.256 120.500 -0.022 0.000 2.090 664 R HA -0.017 4.327 4.340 0.007 0.000 0.228 664 R C 2.030 178.329 176.300 -0.002 0.000 1.110 664 R CA 1.757 57.848 56.100 -0.016 0.000 0.973 664 R CB -0.835 29.457 30.300 -0.014 0.000 0.869 664 R HN 0.873 nan 8.270 nan 0.000 0.440 665 K N 0.685 121.090 120.400 0.008 0.000 2.504 665 K HA -0.070 4.254 4.320 0.007 0.000 0.195 665 K C 0.627 177.250 176.600 0.038 0.000 1.036 665 K CA 0.455 56.756 56.287 0.023 0.000 0.984 665 K CB 0.058 32.575 32.500 0.028 0.000 0.788 665 K HN -0.165 nan 8.250 nan 0.000 0.488 666 Q N 1.471 121.293 119.800 0.036 0.000 2.337 666 Q HA 0.149 4.493 4.340 0.007 0.000 0.255 666 Q C -0.333 175.704 176.000 0.061 0.000 0.997 666 Q CA -0.063 55.776 55.803 0.061 0.000 0.925 666 Q CB 0.901 29.671 28.738 0.053 0.000 1.212 666 Q HN 0.218 nan 8.270 nan 0.000 0.436 667 N N 2.611 121.359 118.700 0.081 0.000 2.332 667 N HA 0.063 4.807 4.740 0.007 0.000 0.190 667 N C -0.616 174.975 175.510 0.136 0.000 1.117 667 N CA 0.036 53.138 53.050 0.086 0.000 0.883 667 N CB 0.410 38.941 38.487 0.073 0.000 1.089 667 N HN 0.446 nan 8.380 nan 0.000 0.480 668 N N 3.296 122.083 118.700 0.145 0.000 2.475 668 N HA 0.144 4.888 4.740 0.007 0.000 0.267 668 N C -2.423 173.224 175.510 0.228 0.000 1.169 668 N CA -0.784 52.368 53.050 0.170 0.000 0.947 668 N CB 0.754 39.339 38.487 0.164 0.000 1.061 668 N HN 0.156 nan 8.380 nan 0.000 0.466 669 P HA 0.148 nan 4.420 nan 0.000 0.275 669 P C -0.679 176.794 177.300 0.288 0.000 1.227 669 P CA -0.071 63.236 63.100 0.346 0.000 0.781 669 P CB 0.757 32.502 31.700 0.076 0.000 0.906 670 L N 4.046 125.428 121.223 0.266 0.000 2.318 670 L HA 0.491 4.835 4.340 0.007 0.000 0.277 670 L C 0.194 177.053 176.870 -0.019 0.000 1.008 670 L CA -0.403 54.457 54.840 0.033 0.000 0.846 670 L CB 0.590 42.550 42.059 -0.165 0.000 1.220 670 L HN 0.214 nan 8.230 nan 0.000 0.423 671 L N 3.755 124.938 121.223 -0.067 0.000 2.283 671 L HA 0.699 5.043 4.340 0.007 0.000 0.259 671 L C -0.713 176.066 176.870 -0.152 0.000 1.027 671 L CA -0.836 53.934 54.840 -0.117 0.000 0.828 671 L CB 2.987 44.929 42.059 -0.195 0.000 1.380 671 L HN 0.471 nan 8.230 nan 0.000 0.425 672 I N -0.442 120.061 120.570 -0.112 0.000 2.827 672 I HA 0.424 4.598 4.170 0.007 0.000 0.298 672 I C -1.888 174.230 176.117 0.002 0.000 1.235 672 I CA -0.370 60.886 61.300 -0.073 0.000 1.021 672 I CB 2.581 40.544 38.000 -0.062 0.000 1.259 672 I HN 0.672 nan 8.210 nan 0.000 0.427 673 H N 5.705 124.717 119.070 -0.096 0.000 2.823 673 H HA 0.548 5.108 4.556 0.007 0.000 0.332 673 H C -1.771 173.534 175.328 -0.038 0.000 0.980 673 H CA -0.414 55.593 56.048 -0.068 0.000 1.286 673 H CB 1.697 31.416 29.762 -0.071 0.000 1.541 673 H HN 0.207 nan 8.280 nan 0.000 0.521 674 V N 5.335 125.011 119.914 -0.397 0.000 2.318 674 V HA 0.150 4.275 4.120 0.007 0.000 0.271 674 V C 0.374 176.195 176.094 -0.454 0.000 1.030 674 V CA -0.774 61.348 62.300 -0.298 0.000 0.844 674 V CB 0.658 32.404 31.823 -0.129 0.000 1.015 674 V HN 0.783 nan 8.190 nan 0.000 0.460 675 D N 3.729 123.904 120.400 -0.375 0.000 2.344 675 D HA 0.409 5.053 4.640 0.007 0.000 0.244 675 D C 0.363 176.617 176.300 -0.076 0.000 1.134 675 D CA 0.147 54.006 54.000 -0.236 0.000 0.930 675 D CB 1.398 42.146 40.800 -0.086 0.000 1.175 675 D HN 0.672 nan 8.370 nan 0.000 0.437 676 T N -0.573 113.972 114.554 -0.016 0.000 2.888 676 T HA 0.434 4.788 4.350 0.007 0.000 0.284 676 T C 0.151 174.892 174.700 0.068 0.000 1.017 676 T CA -0.921 61.207 62.100 0.047 0.000 1.022 676 T CB 1.544 70.438 68.868 0.044 0.000 1.013 676 T HN 0.523 nan 8.240 nan 0.000 0.465 677 K N -0.634 119.840 120.400 0.123 0.000 3.339 677 K HA -0.094 4.230 4.320 0.007 0.000 0.299 677 K C -0.122 176.479 176.600 0.002 0.000 1.270 677 K CA 0.695 56.992 56.287 0.017 0.000 0.875 677 K CB -1.631 30.864 32.500 -0.008 0.000 1.298 677 K HN 1.092 nan 8.250 nan 0.000 0.485 678 A N -0.812 122.054 122.820 0.078 0.000 2.515 678 A HA 0.843 5.167 4.320 0.007 0.000 0.296 678 A C 0.325 177.985 177.584 0.126 0.000 1.094 678 A CA -0.007 52.071 52.037 0.068 0.000 0.718 678 A CB 1.969 20.998 19.000 0.049 0.000 1.307 678 A HN 0.216 nan 8.150 nan 0.000 0.408 679 G N -1.112 107.758 108.800 0.117 0.000 3.356 679 G HA2 0.384 4.349 3.960 0.007 0.000 0.178 679 G HA3 0.384 4.349 3.960 0.007 0.000 0.178 679 G C 0.610 175.607 174.900 0.161 0.000 1.175 679 G CA 0.448 45.643 45.100 0.159 0.000 0.840 679 G HN 0.831 nan 8.290 nan 0.000 0.658 680 H N -0.556 118.553 119.070 0.065 0.000 2.421 680 H HA 0.148 4.708 4.556 0.007 0.000 0.298 680 H C 1.924 177.277 175.328 0.042 0.000 1.087 680 H CA 2.555 58.634 56.048 0.052 0.000 1.330 680 H CB 0.308 30.104 29.762 0.056 0.000 1.388 680 H HN 0.745 nan 8.280 nan 0.000 0.526 681 G N -2.098 106.747 108.800 0.074 0.000 3.382 681 G HA2 -0.057 3.907 3.960 0.007 0.000 0.214 681 G HA3 -0.057 3.907 3.960 0.007 0.000 0.214 681 G C 0.227 175.152 174.900 0.041 0.000 1.025 681 G CA -0.097 45.011 45.100 0.013 0.000 0.869 681 G HN 0.584 nan 8.290 nan 0.000 0.458 682 A N 0.625 123.488 122.820 0.071 0.000 2.477 682 A HA 0.601 4.925 4.320 0.007 0.000 0.246 682 A C 1.848 179.459 177.584 0.046 0.000 1.078 682 A CA 1.555 53.627 52.037 0.058 0.000 0.770 682 A CB -0.106 18.937 19.000 0.072 0.000 1.011 682 A HN 2.336 nan 8.150 nan 0.000 0.494 683 G N 1.194 110.011 108.800 0.030 0.000 2.179 683 G HA2 -0.273 3.691 3.960 0.007 0.000 0.260 683 G HA3 -0.273 3.691 3.960 0.007 0.000 0.260 683 G C 0.394 175.307 174.900 0.020 0.000 0.977 683 G CA 0.685 45.798 45.100 0.021 0.000 0.641 683 G HN 1.011 nan 8.290 nan 0.000 0.533 684 K N 1.983 122.398 120.400 0.025 0.000 2.447 684 K HA 0.293 4.617 4.320 0.007 0.000 0.281 684 K C -1.459 175.154 176.600 0.023 0.000 1.031 684 K CA -1.019 55.282 56.287 0.024 0.000 1.019 684 K CB 0.608 33.122 32.500 0.024 0.000 0.918 684 K HN 0.170 nan 8.250 nan 0.000 0.476 685 P HA -0.041 nan 4.420 nan 0.000 0.268 685 P C 0.144 177.464 177.300 0.032 0.000 1.208 685 P CA -0.059 63.054 63.100 0.020 0.000 0.777 685 P CB 0.708 32.417 31.700 0.015 0.000 0.875 686 T N 1.500 116.082 114.554 0.046 0.000 2.803 686 T HA -0.157 4.198 4.350 0.007 0.000 0.269 686 T C 1.818 176.549 174.700 0.053 0.000 1.052 686 T CA 2.075 64.226 62.100 0.085 0.000 1.136 686 T CB -0.462 68.478 68.868 0.120 0.000 0.864 686 T HN 0.542 nan 8.240 nan 0.000 0.467 687 A N 1.455 124.297 122.820 0.037 0.000 1.897 687 A HA -0.014 4.310 4.320 0.007 0.000 0.215 687 A C 2.282 179.878 177.584 0.021 0.000 1.181 687 A CA 1.081 53.135 52.037 0.028 0.000 0.620 687 A CB -0.266 18.749 19.000 0.025 0.000 0.821 687 A HN 0.361 nan 8.150 nan 0.000 0.443 688 K N -0.302 120.110 120.400 0.022 0.000 2.148 688 K HA -0.032 4.292 4.320 0.007 0.000 0.204 688 K C 1.804 178.414 176.600 0.016 0.000 1.050 688 K CA 1.273 57.575 56.287 0.025 0.000 0.942 688 K CB -0.234 32.282 32.500 0.027 0.000 0.724 688 K HN 0.321 nan 8.250 nan 0.000 0.446 689 V N 1.425 121.339 119.914 0.000 0.000 2.548 689 V HA -0.186 3.938 4.120 0.007 0.000 0.249 689 V C 2.070 178.129 176.094 -0.058 0.000 1.055 689 V CA 1.294 63.577 62.300 -0.028 0.000 1.065 689 V CB -0.277 31.520 31.823 -0.044 0.000 0.681 689 V HN 0.224 nan 8.190 nan 0.000 0.462 690 I N -0.468 120.065 120.570 -0.061 0.000 2.315 690 I HA -0.152 4.022 4.170 0.007 0.000 0.248 690 I C 2.592 178.718 176.117 0.015 0.000 1.117 690 I CA 1.220 62.489 61.300 -0.051 0.000 1.404 690 I CB -0.255 37.731 38.000 -0.023 0.000 1.071 690 I HN 0.278 nan 8.210 nan 0.000 0.419 691 E N 0.373 120.582 120.200 0.015 0.000 2.077 691 E HA -0.281 4.073 4.350 0.007 0.000 0.193 691 E C 1.980 178.589 176.600 0.014 0.000 0.989 691 E CA 1.216 57.628 56.400 0.021 0.000 0.800 691 E CB -0.174 29.541 29.700 0.027 0.000 0.746 691 E HN 0.549 nan 8.360 nan 0.000 0.452 692 E N 0.623 120.834 120.200 0.019 0.000 2.023 692 E HA -0.182 4.172 4.350 0.007 0.000 0.196 692 E C 2.297 178.900 176.600 0.004 0.000 1.003 692 E CA 2.134 58.544 56.400 0.017 0.000 0.809 692 E CB 0.024 29.737 29.700 0.021 0.000 0.755 692 E HN 0.155 nan 8.360 nan 0.000 0.449 693 V N -1.080 118.857 119.914 0.039 0.000 2.469 693 V HA -0.195 3.929 4.120 0.007 0.000 0.251 693 V C 2.143 178.237 176.094 -0.001 0.000 1.064 693 V CA 2.065 64.430 62.300 0.109 0.000 1.066 693 V CB -0.588 31.381 31.823 0.243 0.000 0.667 693 V HN 0.116 nan 8.190 nan 0.000 0.461 694 S N 0.466 116.144 115.700 -0.037 0.000 2.423 694 S HA -0.146 4.328 4.470 0.007 0.000 0.231 694 S C 1.629 176.156 174.600 -0.121 0.000 1.014 694 S CA 1.575 59.693 58.200 -0.137 0.000 0.965 694 S CB -0.455 62.768 63.200 0.038 0.000 0.785 694 S HN 0.715 nan 8.310 nan 0.000 0.495 695 D N 1.549 121.904 120.400 -0.075 0.000 2.110 695 D HA 0.049 4.693 4.640 0.007 0.000 0.202 695 D C 1.988 178.260 176.300 -0.048 0.000 0.975 695 D CA 0.909 54.870 54.000 -0.065 0.000 0.839 695 D CB -0.324 40.419 40.800 -0.095 0.000 0.996 695 D HN 0.341 nan 8.370 nan 0.000 0.464 696 M N -0.408 119.124 119.600 -0.113 0.000 2.082 696 M HA -0.152 4.332 4.480 0.007 0.000 0.258 696 M C 1.925 178.080 176.300 -0.241 0.000 1.069 696 M CA 1.485 56.663 55.300 -0.203 0.000 1.102 696 M CB -0.510 31.864 32.600 -0.376 0.000 1.336 696 M HN -0.040 nan 8.290 nan 0.000 0.404 697 F N -0.034 119.807 119.950 -0.182 0.000 2.615 697 F HA 0.102 4.633 4.527 0.007 0.000 0.297 697 F C 2.492 178.266 175.800 -0.044 0.000 1.124 697 F CA 0.646 58.549 58.000 -0.163 0.000 1.451 697 F CB -0.527 38.199 39.000 -0.456 0.000 1.103 697 F HN 0.097 nan 8.300 nan 0.000 0.569 698 A N -0.414 122.451 122.820 0.074 0.000 1.970 698 A HA -0.119 4.205 4.320 0.007 0.000 0.216 698 A C 1.948 179.619 177.584 0.144 0.000 1.170 698 A CA 0.749 52.837 52.037 0.085 0.000 0.645 698 A CB -1.004 18.014 19.000 0.029 0.000 0.816 698 A HN 0.363 nan 8.150 nan 0.000 0.447 699 F N 0.985 120.956 119.950 0.034 0.000 2.113 699 F HA -0.126 4.405 4.527 0.007 0.000 0.297 699 F C 1.905 177.778 175.800 0.122 0.000 1.103 699 F CA 1.605 59.665 58.000 0.100 0.000 1.248 699 F CB -0.284 38.748 39.000 0.053 0.000 0.999 699 F HN 0.182 nan 8.300 nan 0.000 0.475 700 I N 0.265 120.921 120.570 0.144 0.000 2.113 700 I HA -0.303 3.871 4.170 0.007 0.000 0.238 700 I C 2.728 178.912 176.117 0.111 0.000 1.070 700 I CA 1.406 62.775 61.300 0.115 0.000 1.332 700 I CB -1.223 36.923 38.000 0.242 0.000 1.044 700 I HN 0.168 nan 8.210 nan 0.000 0.402 701 A N 0.793 123.723 122.820 0.184 0.000 1.948 701 A HA -0.279 4.045 4.320 0.007 0.000 0.220 701 A C 2.396 180.020 177.584 0.068 0.000 1.177 701 A CA 2.315 54.454 52.037 0.170 0.000 0.636 701 A CB -0.688 18.446 19.000 0.224 0.000 0.815 701 A HN 0.410 nan 8.150 nan 0.000 0.449 702 R N -1.211 119.289 120.500 -0.001 0.000 2.119 702 R HA -0.032 4.312 4.340 0.007 0.000 0.222 702 R C 1.931 178.187 176.300 -0.074 0.000 1.088 702 R CA 1.849 57.904 56.100 -0.075 0.000 0.984 702 R CB -0.786 29.406 30.300 -0.180 0.000 0.884 702 R HN 0.490 nan 8.270 nan 0.000 0.447 703 C N -0.275 118.949 119.300 -0.127 0.000 2.505 703 C HA 0.189 4.654 4.460 0.007 0.000 0.279 703 C C 2.110 177.082 174.990 -0.029 0.000 1.316 703 C CA 0.203 59.145 59.018 -0.127 0.000 1.720 703 C CB -0.516 27.008 27.740 -0.360 0.000 2.050 703 C HN 0.489 nan 8.230 nan 0.000 0.493 704 L N 0.321 121.549 121.223 0.008 0.000 2.558 704 L HA 0.126 4.470 4.340 0.007 0.000 0.225 704 L C 0.617 177.522 176.870 0.059 0.000 1.128 704 L CA 0.480 55.355 54.840 0.059 0.000 0.868 704 L CB -0.822 41.305 42.059 0.114 0.000 1.006 704 L HN 0.532 nan 8.230 nan 0.000 0.454 705 N N 0.987 119.715 118.700 0.047 0.000 2.746 705 N HA -0.176 4.569 4.740 0.007 0.000 0.250 705 N C -0.393 175.158 175.510 0.068 0.000 1.055 705 N CA -0.190 52.887 53.050 0.046 0.000 0.699 705 N CB -0.607 37.901 38.487 0.035 0.000 0.919 705 N HN 0.233 nan 8.380 nan 0.000 0.548 706 I N 0.623 121.253 120.570 0.099 0.000 2.342 706 I HA 0.170 4.344 4.170 0.007 0.000 0.291 706 I C 0.473 176.672 176.117 0.137 0.000 1.010 706 I CA -0.420 60.951 61.300 0.117 0.000 1.308 706 I CB 0.947 39.042 38.000 0.160 0.000 1.400 706 I HN 0.125 nan 8.210 nan 0.000 0.488 707 D N 5.765 126.235 120.400 0.116 0.000 2.255 707 D HA 0.067 4.711 4.640 0.007 0.000 0.249 707 D C -0.643 175.782 176.300 0.208 0.000 1.078 707 D CA -0.291 53.798 54.000 0.148 0.000 0.896 707 D CB 1.352 42.213 40.800 0.102 0.000 1.194 707 D HN 0.389 nan 8.370 nan 0.000 0.429 708 W N 3.460 124.790 121.300 0.050 0.000 2.170 708 W HA 0.290 4.954 4.660 0.007 0.000 0.336 708 W C -0.895 175.663 176.519 0.065 0.000 1.283 708 W CA -0.310 57.072 57.345 0.063 0.000 1.224 708 W CB 0.542 30.029 29.460 0.045 0.000 1.132 708 W HN 0.249 nan 8.180 nan 0.000 0.571 709 I N 7.748 128.069 120.570 -0.416 0.000 2.411 709 I HA 0.184 4.358 4.170 0.007 0.000 0.284 709 I C -1.828 174.147 176.117 -0.236 0.000 1.012 709 I CA -2.272 58.887 61.300 -0.234 0.000 1.119 709 I CB 1.802 39.675 38.000 -0.213 0.000 1.261 709 I HN 0.139 nan 8.210 nan 0.000 0.448 710 P HA 0.000 nan 4.420 nan 0.000 0.216 710 P CA 0.000 63.203 63.100 0.172 0.000 0.800 710 P CB 0.000 31.813 31.700 0.188 0.000 0.726