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 1wxr_1_A DATA FIRST_RESID 1 DATA SEQUENCE GTVNNELGYQ LFRDFAENKG MFRPGATNIA IYNKQGEFVG TLDKAAMPDF DATA SEQUENCE SAVDSEIGVA TLINPQYIAS VKHNGGYTNV SFGDGENRYN IVDRNNAPSL DATA SEQUENCE DFHAPRLDKL VTEVAPTAVT AQGAVAGAYL DKERYPVFYR LGSGTQYIKD DATA SEQUENCE SNGQLTKMGG AYSWLTGGTV GSLSSYQNGE MISTSSGLVF DYKLNGAMPI DATA SEQUENCE YGEAGDSGSP LFAFDTVQNK WVLVGVLTAG NGAGGRGNNW AVIPLDFIGQ DATA SEQUENCE KFNEDNDAPV TFRTSEGGAL EWSFNSSTGA GALTQGTTTY AMHGQQGNDL DATA SEQUENCE NAGKNLIFQG QNGQINLKDS VSQGAGSLTF RDNYTVTTSN GSTWTGAGIV DATA SEQUENCE VDNGVSVNWQ VNGVKGDNLH KIGEGTLTVQ GTGINEGGLK VGDGKVVLNQ DATA SEQUENCE QADNKGQVQA FSSVNIASGR PTVVLTDERQ VNPDTVSWGY RGGTLDVNGN DATA SEQUENCE SLTFHQLKAA DYGAVLANNV DKRATITLDY ALRADKVALN GWSESGKGTA DATA SEQUENCE GNLYKYNNPY TNTTDYFILK QSTYGYFPTD QSSNATWEFV GHSQGDAQKL DATA SEQUENCE VADRFNTAGY LFHGQLKGNL NVDNRLPEGV TGALVMDGAA DISGTFTQEN DATA SEQUENCE GRLTLQGHPV IHAYNTQSVA DKLAASGDHS VLTQPTSFSQ EDWENRSFTF DATA SEQUENCE DRLSLKNTDF GLGRNATLNT TIQADNSSVT LGDSRVFIDK NDGQGTAFTL DATA SEQUENCE EEGTSVATKD ADKSVFNGTV NLDNQSVLNI NDIFNGGIQA NNSTVNISSD DATA SEQUENCE SAVLGNSTLT STALNLNKGA NALASQSFVS DGPVNISDAT LSLNSRPDEV DATA SEQUENCE SHTLLPVYDY AGSWNLKGDD ARLNVGPYSM LSGNINVQDK GTVTLGGEGE DATA SEQUENCE LSPDLTLQNQ MLYSLFNGYR NIWSGSLNAP DATVSMTDTQ WSMNGNSTAG DATA SEQUENCE NMKLNRTIVG FNGXXXXFTT LTTDNLDAVQ SAFVMRTXXX KADKLVINKS DATA SEQUENCE ATGHDNSIWV NFLKKPSNKD TLDIPLVSAP EATADNLFRA STRVVGFSDV DATA SEQUENCE TPILSVRKED GKKEWVLDGY QVARXXXXXX AAATFMHISY NNFITEVN 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 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 1 G C 0.000 174.934 174.900 0.056 0.000 0.946 1 G CA 0.000 45.071 45.100 -0.049 0.000 0.502 2 T N 0.304 114.933 114.554 0.126 0.000 2.797 2 T HA 0.696 5.046 4.350 0.000 0.000 0.279 2 T C 0.150 174.825 174.700 -0.041 0.000 0.991 2 T CA -0.337 61.842 62.100 0.131 0.000 0.979 2 T CB 1.388 70.374 68.868 0.197 0.000 0.943 2 T HN 1.500 nan 8.240 nan 0.000 0.444 3 V N 1.142 120.967 119.914 -0.148 0.000 2.914 3 V HA 0.775 4.895 4.120 0.000 0.000 0.314 3 V C -0.074 175.883 176.094 -0.227 0.000 1.084 3 V CA -1.510 60.585 62.300 -0.343 0.000 0.963 3 V CB 1.696 32.950 31.823 -0.948 0.000 1.025 3 V HN 0.888 nan 8.190 nan 0.000 0.432 4 N N 1.914 120.422 118.700 -0.321 0.000 2.326 4 N HA 0.109 4.849 4.740 0.000 0.000 0.239 4 N C 0.265 175.675 175.510 -0.166 0.000 1.301 4 N CA 0.415 53.145 53.050 -0.533 0.000 0.909 4 N CB -0.118 37.534 38.487 -1.392 0.000 1.156 4 N HN 0.989 nan 8.380 nan 0.000 0.462 5 N N -1.777 116.892 118.700 -0.051 0.000 2.238 5 N HA 0.085 4.825 4.740 0.000 0.000 0.222 5 N C 0.180 175.782 175.510 0.153 0.000 1.133 5 N CA -0.417 52.696 53.050 0.105 0.000 0.854 5 N CB 0.179 38.741 38.487 0.124 0.000 1.041 5 N HN 0.611 nan 8.380 nan 0.000 0.510 6 E N -0.159 120.132 120.200 0.152 0.000 2.285 6 E HA 0.042 4.392 4.350 0.000 0.000 0.194 6 E C -0.383 176.321 176.600 0.174 0.000 0.997 6 E CA 0.398 56.918 56.400 0.199 0.000 0.845 6 E CB 0.319 30.181 29.700 0.270 0.000 0.782 6 E HN 0.271 nan 8.360 nan 0.000 0.491 7 L N 0.442 121.782 121.223 0.195 0.000 2.295 7 L HA 0.318 4.658 4.340 0.000 0.000 0.285 7 L C 0.595 177.597 176.870 0.220 0.000 1.035 7 L CA -0.301 54.644 54.840 0.175 0.000 0.806 7 L CB 1.184 43.346 42.059 0.171 0.000 1.214 7 L HN -0.118 nan 8.230 nan 0.000 0.426 8 G N 1.716 110.597 108.800 0.136 0.000 2.225 8 G HA2 -0.128 3.832 3.960 0.000 0.000 0.245 8 G HA3 -0.128 3.832 3.960 0.000 0.000 0.245 8 G C 0.495 175.528 174.900 0.222 0.000 1.249 8 G CA 0.118 45.311 45.100 0.155 0.000 0.919 8 G HN 0.714 nan 8.290 nan 0.000 0.486 9 Y N 1.871 122.272 120.300 0.169 0.000 2.242 9 Y HA -0.195 4.355 4.550 -0.000 0.000 0.291 9 Y C 2.859 178.899 175.900 0.234 0.000 1.137 9 Y CA 2.146 60.419 58.100 0.288 0.000 1.181 9 Y CB -0.075 38.476 38.460 0.151 0.000 0.989 9 Y HN 0.631 nan 8.280 nan 0.000 0.527 10 Q N -0.039 119.849 119.800 0.146 0.000 2.248 10 Q HA -0.199 4.141 4.340 0.000 0.000 0.208 10 Q C 1.887 177.880 176.000 -0.012 0.000 0.984 10 Q CA 1.676 57.509 55.803 0.051 0.000 0.875 10 Q CB -0.556 28.227 28.738 0.075 0.000 0.910 10 Q HN 0.457 nan 8.270 nan 0.000 0.433 11 L N -0.618 120.551 121.223 -0.090 0.000 2.013 11 L HA -0.171 4.169 4.340 0.000 0.000 0.212 11 L C 1.976 178.542 176.870 -0.507 0.000 1.073 11 L CA 1.846 56.539 54.840 -0.246 0.000 0.753 11 L CB -1.218 40.577 42.059 -0.440 0.000 0.890 11 L HN 0.333 nan 8.230 nan 0.000 0.432 12 F N -0.995 118.773 119.950 -0.303 0.000 2.325 12 F HA -0.089 4.438 4.527 0.000 0.000 0.299 12 F C 2.448 178.097 175.800 -0.252 0.000 1.090 12 F CA 0.526 58.307 58.000 -0.365 0.000 1.392 12 F CB -0.488 38.253 39.000 -0.432 0.000 1.053 12 F HN 0.015 nan 8.300 nan 0.000 0.521 13 R N 0.298 120.751 120.500 -0.079 0.000 2.075 13 R HA -0.074 4.266 4.340 0.000 0.000 0.226 13 R C 1.586 177.889 176.300 0.004 0.000 1.114 13 R CA 1.217 57.299 56.100 -0.031 0.000 0.972 13 R CB -0.771 29.488 30.300 -0.069 0.000 0.869 13 R HN 0.232 nan 8.270 nan 0.000 0.437 14 D N 0.262 120.659 120.400 -0.006 0.000 2.123 14 D HA -0.107 4.533 4.640 0.000 0.000 0.200 14 D C 1.646 177.904 176.300 -0.070 0.000 0.976 14 D CA 0.624 54.671 54.000 0.078 0.000 0.831 14 D CB -0.282 40.715 40.800 0.329 0.000 0.974 14 D HN 0.039 nan 8.370 nan 0.000 0.469 15 F N 1.917 121.418 119.950 -0.748 0.000 2.025 15 F HA -0.304 4.223 4.527 -0.000 0.000 0.297 15 F C 2.237 177.964 175.800 -0.121 0.000 1.132 15 F CA 2.311 59.829 58.000 -0.802 0.000 1.191 15 F CB -0.253 38.193 39.000 -0.922 0.000 0.963 15 F HN -0.037 nan 8.300 nan 0.000 0.481 16 A N -0.557 122.420 122.820 0.262 0.000 2.019 16 A HA -0.193 4.127 4.320 0.000 0.000 0.219 16 A C 1.862 179.527 177.584 0.135 0.000 1.164 16 A CA 1.872 54.021 52.037 0.187 0.000 0.644 16 A CB -0.762 18.309 19.000 0.119 0.000 0.805 16 A HN 0.653 nan 8.150 nan 0.000 0.449 17 E N -1.004 119.256 120.200 0.100 0.000 2.465 17 E HA 0.092 4.442 4.350 0.000 0.000 0.195 17 E C -0.442 176.209 176.600 0.086 0.000 1.028 17 E CA -0.233 56.221 56.400 0.090 0.000 0.899 17 E CB -0.155 29.579 29.700 0.058 0.000 1.032 17 E HN 0.694 nan 8.360 nan 0.000 0.468 18 N N 1.460 120.203 118.700 0.071 0.000 2.696 18 N HA -0.226 4.514 4.740 0.000 0.000 0.249 18 N C -0.708 174.814 175.510 0.020 0.000 1.090 18 N CA 0.797 53.843 53.050 -0.006 0.000 0.716 18 N CB -0.493 37.958 38.487 -0.060 0.000 1.020 18 N HN 0.132 nan 8.380 nan 0.000 0.548 19 K N -0.506 119.928 120.400 0.057 0.000 2.288 19 K HA 0.663 4.983 4.320 0.000 0.000 0.234 19 K C 1.311 177.904 176.600 -0.012 0.000 1.037 19 K CA -0.313 55.969 56.287 -0.009 0.000 0.914 19 K CB 0.802 33.289 32.500 -0.022 0.000 1.197 19 K HN 0.114 nan 8.250 nan 0.000 0.471 20 G N 1.444 110.056 108.800 -0.312 0.000 2.614 20 G HA2 -0.375 3.585 3.960 0.000 0.000 0.303 20 G HA3 -0.375 3.585 3.960 0.000 0.000 0.303 20 G C 0.738 175.554 174.900 -0.140 0.000 1.270 20 G CA 0.828 45.707 45.100 -0.367 0.000 0.988 20 G HN 0.790 nan 8.290 nan 0.000 0.551 21 M N -0.905 118.607 119.600 -0.148 0.000 2.686 21 M HA 0.447 4.927 4.480 0.000 0.000 0.246 21 M C 1.082 177.097 176.300 -0.475 0.000 1.096 21 M CA 1.448 56.548 55.300 -0.332 0.000 1.076 21 M CB -0.161 32.188 32.600 -0.420 0.000 1.504 21 M HN 0.241 nan 8.290 nan 0.000 0.524 22 F N 2.326 122.227 119.950 -0.082 0.000 2.750 22 F HA 0.351 4.878 4.527 0.000 0.000 0.297 22 F C 0.939 176.623 175.800 -0.192 0.000 1.138 22 F CA -1.118 56.798 58.000 -0.140 0.000 1.346 22 F CB -0.210 38.700 39.000 -0.150 0.000 0.965 22 F HN 0.198 nan 8.300 nan 0.000 0.514 23 R N 0.605 121.072 120.500 -0.055 0.000 2.734 23 R HA 0.224 4.564 4.340 0.000 0.000 0.266 23 R C -2.749 173.469 176.300 -0.136 0.000 1.044 23 R CA -1.472 54.572 56.100 -0.093 0.000 1.128 23 R CB -0.637 29.605 30.300 -0.095 0.000 1.010 23 R HN -0.067 nan 8.270 nan 0.000 0.461 24 P HA 0.012 nan 4.420 nan 0.000 0.267 24 P C 0.524 177.745 177.300 -0.133 0.000 1.200 24 P CA 1.171 64.149 63.100 -0.205 0.000 0.772 24 P CB 0.757 32.343 31.700 -0.189 0.000 0.855 25 G N 1.230 109.961 108.800 -0.115 0.000 2.234 25 G HA2 -0.253 3.707 3.960 0.000 0.000 0.260 25 G HA3 -0.253 3.707 3.960 0.000 0.000 0.260 25 G C 0.485 175.350 174.900 -0.059 0.000 0.987 25 G CA 0.071 45.132 45.100 -0.064 0.000 0.625 25 G HN 0.864 nan 8.290 nan 0.000 0.532 26 A N 0.724 123.497 122.820 -0.079 0.000 2.546 26 A HA 0.583 4.903 4.320 0.000 0.000 0.243 26 A C 0.885 178.445 177.584 -0.042 0.000 1.063 26 A CA 1.806 53.797 52.037 -0.076 0.000 0.757 26 A CB 0.080 19.011 19.000 -0.115 0.000 0.991 26 A HN 2.005 nan 8.150 nan 0.000 0.503 27 T N 0.072 114.604 114.554 -0.037 0.000 2.907 27 T HA 0.513 4.863 4.350 0.000 0.000 0.292 27 T C -0.091 174.605 174.700 -0.007 0.000 1.043 27 T CA -0.731 61.361 62.100 -0.014 0.000 1.003 27 T CB 0.915 69.770 68.868 -0.022 0.000 1.084 27 T HN 0.776 nan 8.240 nan 0.000 0.483 28 N N 0.862 119.572 118.700 0.017 0.000 2.686 28 N HA -0.138 4.602 4.740 0.000 0.000 0.261 28 N C -0.585 174.940 175.510 0.024 0.000 1.001 28 N CA 0.499 53.568 53.050 0.031 0.000 0.764 28 N CB -1.406 37.094 38.487 0.021 0.000 0.898 28 N HN 0.775 nan 8.380 nan 0.000 0.544 29 I N 0.475 121.055 120.570 0.017 0.000 2.406 29 I HA 0.147 4.317 4.170 0.000 0.000 0.293 29 I C 1.094 177.208 176.117 -0.005 0.000 1.101 29 I CA -0.215 61.064 61.300 -0.035 0.000 1.334 29 I CB 0.537 38.463 38.000 -0.123 0.000 1.421 29 I HN 0.260 nan 8.210 nan 0.000 0.513 30 A N 8.178 131.005 122.820 0.011 0.000 2.409 30 A HA 0.558 4.878 4.320 0.000 0.000 0.267 30 A C -0.275 177.199 177.584 -0.183 0.000 1.127 30 A CA -0.370 51.656 52.037 -0.017 0.000 0.795 30 A CB 0.123 19.177 19.000 0.091 0.000 1.061 30 A HN 0.756 nan 8.150 nan 0.000 0.502 31 I N 0.254 120.598 120.570 -0.377 0.000 2.441 31 I HA 0.770 4.940 4.170 0.000 0.000 0.295 31 I C -1.407 174.357 176.117 -0.589 0.000 0.994 31 I CA -0.653 60.440 61.300 -0.346 0.000 1.144 31 I CB 1.307 39.202 38.000 -0.174 0.000 1.314 31 I HN 0.518 nan 8.210 nan 0.000 0.445 32 Y N 4.053 124.287 120.300 -0.110 0.000 2.393 32 Y HA 0.410 4.960 4.550 0.000 0.000 0.341 32 Y C 0.724 176.588 175.900 -0.060 0.000 0.988 32 Y CA -0.666 57.388 58.100 -0.077 0.000 1.078 32 Y CB 1.097 39.561 38.460 0.006 0.000 1.203 32 Y HN 0.652 nan 8.280 nan 0.000 0.453 33 N N 1.788 120.552 118.700 0.105 0.000 2.226 33 N HA -0.135 4.605 4.740 0.000 0.000 0.232 33 N C 0.787 176.373 175.510 0.128 0.000 1.255 33 N CA 0.591 53.707 53.050 0.111 0.000 0.855 33 N CB 0.604 39.166 38.487 0.125 0.000 1.095 33 N HN 0.765 nan 8.380 nan 0.000 0.444 34 K N 0.874 121.345 120.400 0.118 0.000 2.360 34 K HA -0.101 4.219 4.320 0.000 0.000 0.201 34 K C 0.844 177.500 176.600 0.093 0.000 1.046 34 K CA 0.971 57.321 56.287 0.104 0.000 0.945 34 K CB 0.167 32.730 32.500 0.105 0.000 0.750 34 K HN 0.423 nan 8.250 nan 0.000 0.464 35 Q N -0.569 119.291 119.800 0.100 0.000 2.280 35 Q HA 0.115 4.455 4.340 0.000 0.000 0.202 35 Q C 0.627 176.676 176.000 0.082 0.000 0.903 35 Q CA 0.461 56.316 55.803 0.086 0.000 0.948 35 Q CB 0.793 29.584 28.738 0.090 0.000 1.058 35 Q HN 0.439 nan 8.270 nan 0.000 0.493 36 G N 1.511 110.363 108.800 0.088 0.000 2.147 36 G HA2 -0.305 3.655 3.960 0.000 0.000 0.244 36 G HA3 -0.305 3.655 3.960 0.000 0.000 0.244 36 G C -0.130 174.859 174.900 0.149 0.000 1.005 36 G CA 0.552 45.685 45.100 0.055 0.000 0.713 36 G HN 0.389 nan 8.290 nan 0.000 0.515 37 E N -0.338 120.008 120.200 0.243 0.000 2.171 37 E HA 0.602 4.952 4.350 0.000 0.000 0.271 37 E C 0.041 176.842 176.600 0.335 0.000 0.916 37 E CA -1.339 55.233 56.400 0.286 0.000 0.774 37 E CB 0.723 30.526 29.700 0.172 0.000 1.128 37 E HN 0.291 nan 8.360 nan 0.000 0.403 38 F N 4.612 124.687 119.950 0.208 0.000 2.607 38 F HA 0.061 4.588 4.527 0.000 0.000 0.374 38 F C 0.071 175.752 175.800 -0.198 0.000 1.104 38 F CA 0.529 58.434 58.000 -0.157 0.000 1.296 38 F CB 0.978 39.914 39.000 -0.107 0.000 1.085 38 F HN 0.371 nan 8.300 nan 0.000 0.584 39 V N 4.297 123.458 119.914 -1.255 0.000 3.485 39 V HA 0.473 4.593 4.120 0.000 0.000 0.280 39 V C 0.536 175.916 176.094 -1.191 0.000 1.495 39 V CA 0.601 62.266 62.300 -1.058 0.000 1.018 39 V CB 0.110 31.322 31.823 -1.018 0.000 0.818 39 V HN 1.219 nan 8.190 nan 0.000 0.436 40 G N -0.232 107.535 108.800 -1.722 0.000 2.345 40 G HA2 0.364 4.324 3.960 0.000 0.000 0.310 40 G HA3 0.364 4.324 3.960 0.000 0.000 0.310 40 G C -0.759 173.798 174.900 -0.572 0.000 1.476 40 G CA 0.136 44.717 45.100 -0.865 0.000 0.978 40 G HN 0.221 nan 8.290 nan 0.000 0.656 41 T N -0.815 113.687 114.554 -0.088 0.000 2.907 41 T HA 0.593 4.943 4.350 0.000 0.000 0.292 41 T C -0.660 174.090 174.700 0.084 0.000 1.043 41 T CA -0.746 61.374 62.100 0.033 0.000 1.003 41 T CB 1.384 70.353 68.868 0.168 0.000 1.084 41 T HN 0.688 nan 8.240 nan 0.000 0.483 42 L N 5.125 126.418 121.223 0.116 0.000 2.375 42 L HA 0.369 4.709 4.340 0.000 0.000 0.276 42 L C 0.725 177.704 176.870 0.181 0.000 1.162 42 L CA 0.258 55.229 54.840 0.219 0.000 0.991 42 L CB 0.055 42.283 42.059 0.282 0.000 1.315 42 L HN 0.893 nan 8.230 nan 0.000 0.431 43 D N -0.829 119.664 120.400 0.156 0.000 2.525 43 D HA 0.005 4.645 4.640 0.000 0.000 0.231 43 D C 0.972 177.289 176.300 0.029 0.000 1.216 43 D CA -0.022 54.027 54.000 0.082 0.000 0.813 43 D CB 0.500 41.345 40.800 0.075 0.000 1.108 43 D HN -0.004 nan 8.370 nan 0.000 0.524 44 K N 0.569 120.986 120.400 0.029 0.000 2.323 44 K HA 0.485 4.805 4.320 0.000 0.000 0.197 44 K C 0.600 177.016 176.600 -0.307 0.000 1.043 44 K CA 0.467 56.706 56.287 -0.079 0.000 0.997 44 K CB 0.961 33.444 32.500 -0.029 0.000 0.807 44 K HN 0.328 nan 8.250 nan 0.000 0.497 45 A N -0.150 122.483 122.820 -0.312 0.000 2.594 45 A HA 0.747 5.067 4.320 0.000 0.000 0.291 45 A C -1.214 176.291 177.584 -0.133 0.000 1.105 45 A CA -0.469 51.208 52.037 -0.601 0.000 0.694 45 A CB 1.115 19.505 19.000 -1.016 0.000 1.291 45 A HN 0.064 nan 8.150 nan 0.000 0.410 46 A N 0.515 123.280 122.820 -0.091 0.000 2.332 46 A HA 0.569 4.889 4.320 0.000 0.000 0.258 46 A C 0.416 178.072 177.584 0.121 0.000 1.087 46 A CA -0.187 51.867 52.037 0.028 0.000 0.802 46 A CB -0.149 18.851 19.000 0.001 0.000 1.042 46 A HN 1.476 nan 8.150 nan 0.000 0.489 47 M N 3.316 122.922 119.600 0.010 0.000 2.260 47 M HA 0.188 4.668 4.480 0.000 0.000 0.348 47 M C -1.976 174.070 176.300 -0.423 0.000 1.342 47 M CA -1.320 53.892 55.300 -0.146 0.000 1.040 47 M CB 0.163 32.666 32.600 -0.162 0.000 1.810 47 M HN 0.449 nan 8.290 nan 0.000 0.453 48 P HA 0.122 nan 4.420 nan 0.000 0.274 48 P C -1.277 175.395 177.300 -1.048 0.000 1.246 48 P CA -0.263 62.105 63.100 -1.220 0.000 0.795 48 P CB 0.489 30.930 31.700 -2.098 0.000 1.006 49 D N 0.522 120.493 120.400 -0.715 0.000 2.317 49 D HA 0.167 4.807 4.640 0.000 0.000 0.234 49 D C -0.015 175.999 176.300 -0.475 0.000 1.112 49 D CA -0.554 53.156 54.000 -0.484 0.000 0.840 49 D CB -0.060 40.612 40.800 -0.214 0.000 1.078 49 D HN 0.209 nan 8.370 nan 0.000 0.486 50 F N 1.757 121.553 119.950 -0.257 0.000 2.731 50 F HA 0.014 4.541 4.527 -0.000 0.000 0.304 50 F C 2.323 178.095 175.800 -0.046 0.000 1.133 50 F CA -0.438 57.422 58.000 -0.234 0.000 1.380 50 F CB 0.347 39.229 39.000 -0.197 0.000 1.079 50 F HN 0.286 nan 8.300 nan 0.000 0.550 51 S N 0.650 116.430 115.700 0.133 0.000 2.420 51 S HA -0.254 4.216 4.470 0.000 0.000 0.237 51 S C 2.320 177.034 174.600 0.190 0.000 1.023 51 S CA 1.148 59.447 58.200 0.165 0.000 0.991 51 S CB -0.248 63.084 63.200 0.220 0.000 0.792 51 S HN 0.482 nan 8.310 nan 0.000 0.488 52 A N 0.835 123.773 122.820 0.196 0.000 2.119 52 A HA 0.162 4.482 4.320 0.000 0.000 0.217 52 A C 0.911 178.722 177.584 0.379 0.000 1.153 52 A CA 0.294 52.461 52.037 0.216 0.000 0.692 52 A CB -0.245 18.883 19.000 0.213 0.000 0.799 52 A HN 0.279 nan 8.150 nan 0.000 0.458 53 V N 2.151 122.276 119.914 0.351 0.000 2.508 53 V HA 0.145 4.265 4.120 0.000 0.000 0.281 53 V C 0.136 176.350 176.094 0.200 0.000 1.041 53 V CA -0.459 62.014 62.300 0.289 0.000 1.016 53 V CB 0.504 32.459 31.823 0.219 0.000 0.984 53 V HN 0.699 nan 8.190 nan 0.000 0.478 54 D N 3.595 124.029 120.400 0.056 0.000 2.583 54 D HA -0.100 4.540 4.640 0.000 0.000 0.232 54 D C 1.276 177.467 176.300 -0.182 0.000 1.128 54 D CA 0.835 54.659 54.000 -0.294 0.000 0.859 54 D CB 0.933 41.496 40.800 -0.394 0.000 1.169 54 D HN 0.424 nan 8.370 nan 0.000 0.481 55 S N 1.831 117.388 115.700 -0.237 0.000 2.399 55 S HA -0.162 4.308 4.470 0.000 0.000 0.231 55 S C 1.381 175.921 174.600 -0.101 0.000 1.022 55 S CA 1.058 59.176 58.200 -0.137 0.000 0.983 55 S CB -0.197 62.912 63.200 -0.153 0.000 0.803 55 S HN 0.574 nan 8.310 nan 0.000 0.480 56 E N 0.437 120.561 120.200 -0.126 0.000 2.175 56 E HA 0.205 4.555 4.350 0.000 0.000 0.195 56 E C 1.759 178.318 176.600 -0.069 0.000 0.934 56 E CA 0.897 57.245 56.400 -0.086 0.000 0.870 56 E CB -0.125 29.515 29.700 -0.099 0.000 0.838 56 E HN 0.784 nan 8.360 nan 0.000 0.474 57 I N -4.002 116.503 120.570 -0.108 0.000 4.338 57 I HA 0.479 4.649 4.170 0.000 0.000 0.329 57 I C 1.024 177.093 176.117 -0.080 0.000 1.378 57 I CA 0.214 61.467 61.300 -0.079 0.000 1.170 57 I CB 0.771 38.665 38.000 -0.178 0.000 1.206 57 I HN 0.055 nan 8.210 nan 0.000 0.432 58 G N 3.017 111.756 108.800 -0.102 0.000 2.341 58 G HA2 -0.278 3.682 3.960 0.000 0.000 0.292 58 G HA3 -0.278 3.682 3.960 0.000 0.000 0.292 58 G C 0.777 175.623 174.900 -0.090 0.000 1.021 58 G CA 0.835 45.891 45.100 -0.073 0.000 0.905 58 G HN 0.856 nan 8.290 nan 0.000 0.508 59 V N -4.300 115.504 119.914 -0.185 0.000 3.506 59 V HA 0.732 4.852 4.120 0.000 0.000 0.263 59 V C 1.104 177.081 176.094 -0.194 0.000 1.203 59 V CA 1.258 63.416 62.300 -0.235 0.000 1.133 59 V CB 0.178 31.733 31.823 -0.446 0.000 0.802 59 V HN 1.745 nan 8.190 nan 0.000 0.459 60 A N -0.275 122.468 122.820 -0.129 0.000 2.414 60 A HA 0.801 5.121 4.320 0.000 0.000 0.306 60 A C -0.309 177.347 177.584 0.120 0.000 1.054 60 A CA -0.328 51.713 52.037 0.006 0.000 0.724 60 A CB 1.772 20.802 19.000 0.049 0.000 1.267 60 A HN 0.255 nan 8.150 nan 0.000 0.418 61 T N 2.152 116.816 114.554 0.184 0.000 2.841 61 T HA 0.426 4.776 4.350 0.000 0.000 0.285 61 T C -0.554 174.306 174.700 0.268 0.000 0.991 61 T CA -0.327 61.926 62.100 0.256 0.000 0.966 61 T CB 1.031 70.025 68.868 0.210 0.000 0.962 61 T HN 0.577 nan 8.240 nan 0.000 0.438 62 L N 5.817 127.206 121.223 0.277 0.000 2.500 62 L HA 0.267 4.607 4.340 0.000 0.000 0.272 62 L C 1.021 177.971 176.870 0.134 0.000 1.149 62 L CA 0.273 55.185 54.840 0.120 0.000 0.897 62 L CB 0.028 41.980 42.059 -0.180 0.000 1.178 62 L HN 0.700 nan 8.230 nan 0.000 0.473 63 I N 2.228 122.900 120.570 0.170 0.000 4.154 63 I HA 0.345 4.515 4.170 0.000 0.000 0.334 63 I C -0.254 175.942 176.117 0.131 0.000 1.371 63 I CA 0.124 61.538 61.300 0.191 0.000 1.110 63 I CB -0.214 37.949 38.000 0.271 0.000 1.085 63 I HN 0.672 nan 8.210 nan 0.000 0.398 64 N N 1.708 120.444 118.700 0.060 0.000 2.745 64 N HA 0.295 5.035 4.740 0.000 0.000 0.256 64 N C -2.723 172.755 175.510 -0.054 0.000 1.268 64 N CA -0.743 52.260 53.050 -0.079 0.000 0.887 64 N CB 2.232 40.516 38.487 -0.338 0.000 1.575 64 N HN -0.355 nan 8.380 nan 0.000 0.496 65 P HA -0.096 nan 4.420 nan 0.000 0.222 65 P C 0.372 177.569 177.300 -0.172 0.000 1.142 65 P CA 1.440 64.456 63.100 -0.141 0.000 0.788 65 P CB 0.301 31.939 31.700 -0.104 0.000 0.767 66 Q N -2.704 117.013 119.800 -0.139 0.000 2.139 66 Q HA 0.139 4.479 4.340 0.000 0.000 0.219 66 Q C -0.889 174.807 176.000 -0.507 0.000 0.805 66 Q CA -0.120 55.493 55.803 -0.317 0.000 1.024 66 Q CB 0.492 28.999 28.738 -0.386 0.000 1.163 66 Q HN 0.187 nan 8.270 nan 0.000 0.485 67 Y N 0.191 120.471 120.300 -0.034 0.000 2.421 67 Y HA 0.420 4.970 4.550 0.000 0.000 0.339 67 Y C -0.193 175.768 175.900 0.101 0.000 0.996 67 Y CA -1.246 56.900 58.100 0.077 0.000 1.046 67 Y CB 1.311 39.916 38.460 0.242 0.000 1.226 67 Y HN 0.013 nan 8.280 nan 0.000 0.445 68 I N 0.334 121.054 120.570 0.249 0.000 2.822 68 I HA 1.038 5.208 4.170 0.000 0.000 0.312 68 I C -0.533 175.703 176.117 0.199 0.000 1.011 68 I CA -1.203 60.233 61.300 0.227 0.000 1.105 68 I CB 2.079 40.215 38.000 0.227 0.000 1.291 68 I HN 0.599 nan 8.210 nan 0.000 0.474 69 A N 2.914 125.843 122.820 0.181 0.000 2.343 69 A HA 0.832 5.152 4.320 0.000 0.000 0.316 69 A C -0.391 177.220 177.584 0.043 0.000 1.104 69 A CA -0.339 51.754 52.037 0.094 0.000 0.768 69 A CB 1.560 20.734 19.000 0.290 0.000 1.213 69 A HN 0.834 nan 8.150 nan 0.000 0.456 70 S N 0.410 116.055 115.700 -0.091 0.000 3.070 70 S HA 0.676 5.146 4.470 0.000 0.000 0.320 70 S C -1.517 172.922 174.600 -0.268 0.000 1.215 70 S CA -0.173 58.006 58.200 -0.035 0.000 0.956 70 S CB 0.935 64.255 63.200 0.200 0.000 1.337 70 S HN 1.097 nan 8.310 nan 0.000 0.639 71 V N 2.758 122.454 119.914 -0.363 0.000 2.555 71 V HA 0.442 4.562 4.120 0.000 0.000 0.302 71 V C 0.792 176.397 176.094 -0.816 0.000 1.038 71 V CA -0.366 61.652 62.300 -0.470 0.000 0.887 71 V CB 1.733 33.292 31.823 -0.439 0.000 0.991 71 V HN 0.955 nan 8.190 nan 0.000 0.434 72 K N 4.437 124.463 120.400 -0.624 0.000 2.217 72 K HA -0.137 4.183 4.320 0.000 0.000 0.202 72 K C 1.554 177.981 176.600 -0.288 0.000 1.051 72 K CA 1.867 57.819 56.287 -0.559 0.000 0.952 72 K CB -0.244 32.145 32.500 -0.186 0.000 0.736 72 K HN 0.908 nan 8.250 nan 0.000 0.453 73 H N -0.302 118.663 119.070 -0.174 0.000 2.563 73 H HA 0.078 4.634 4.556 -0.000 0.000 0.272 73 H C -0.278 175.014 175.328 -0.060 0.000 1.005 73 H CA 0.075 56.069 56.048 -0.090 0.000 1.171 73 H CB -0.241 29.480 29.762 -0.068 0.000 1.351 73 H HN 0.088 nan 8.280 nan 0.000 0.602 74 N N 1.790 120.314 118.700 -0.293 0.000 2.895 74 N HA 0.042 4.782 4.740 0.000 0.000 0.277 74 N C 1.143 176.725 175.510 0.120 0.000 1.185 74 N CA 0.349 53.379 53.050 -0.033 0.000 1.106 74 N CB 0.705 39.181 38.487 -0.018 0.000 1.422 74 N HN 0.577 nan 8.380 nan 0.000 0.521 75 G N -0.306 108.550 108.800 0.094 0.000 2.777 75 G HA2 -0.018 3.942 3.960 0.000 0.000 0.211 75 G HA3 -0.018 3.942 3.960 0.000 0.000 0.211 75 G C 1.314 176.246 174.900 0.054 0.000 1.149 75 G CA 0.301 45.442 45.100 0.069 0.000 0.785 75 G HN 0.492 nan 8.290 nan 0.000 0.536 76 G N 0.540 109.401 108.800 0.103 0.000 2.439 76 G HA2 0.106 4.066 3.960 0.000 0.000 0.212 76 G HA3 0.106 4.066 3.960 0.000 0.000 0.212 76 G C 0.809 175.742 174.900 0.054 0.000 1.199 76 G CA 0.321 45.463 45.100 0.071 0.000 0.807 76 G HN 0.552 nan 8.290 nan 0.000 0.537 77 Y N 1.338 121.595 120.300 -0.071 0.000 2.597 77 Y HA 0.393 4.943 4.550 0.000 0.000 0.336 77 Y C 1.207 177.075 175.900 -0.053 0.000 1.216 77 Y CA 0.176 58.222 58.100 -0.090 0.000 1.463 77 Y CB 0.837 39.214 38.460 -0.138 0.000 1.303 77 Y HN 0.046 nan 8.280 nan 0.000 0.576 78 T N -1.205 113.264 114.554 -0.143 0.000 2.986 78 T HA 0.305 4.655 4.350 0.000 0.000 0.264 78 T C -0.218 174.418 174.700 -0.107 0.000 0.964 78 T CA -0.359 61.619 62.100 -0.203 0.000 0.895 78 T CB -0.043 68.754 68.868 -0.118 0.000 1.163 78 T HN 0.566 nan 8.240 nan 0.000 0.517 79 N N 0.596 119.292 118.700 -0.007 0.000 2.272 79 N HA 0.743 5.483 4.740 0.000 0.000 0.305 79 N C -1.748 173.810 175.510 0.080 0.000 1.103 79 N CA -0.572 52.494 53.050 0.025 0.000 0.791 79 N CB 2.443 40.931 38.487 0.002 0.000 1.356 79 N HN 0.123 nan 8.380 nan 0.000 0.486 80 V N 0.110 120.065 119.914 0.069 0.000 2.925 80 V HA 0.686 4.806 4.120 0.000 0.000 0.311 80 V C -0.866 175.156 176.094 -0.120 0.000 1.104 80 V CA -0.322 61.949 62.300 -0.048 0.000 0.954 80 V CB 2.111 33.912 31.823 -0.036 0.000 1.022 80 V HN 0.750 nan 8.190 nan 0.000 0.427 81 S N 4.283 119.781 115.700 -0.336 0.000 2.600 81 S HA 0.870 5.340 4.470 0.000 0.000 0.300 81 S C -1.369 172.843 174.600 -0.647 0.000 1.087 81 S CA -0.340 57.700 58.200 -0.267 0.000 0.965 81 S CB 1.736 64.878 63.200 -0.096 0.000 1.089 81 S HN 0.514 nan 8.310 nan 0.000 0.496 82 F N 0.149 120.136 119.950 0.062 0.000 2.603 82 F HA 0.739 5.266 4.527 -0.000 0.000 0.317 82 F C 1.098 176.767 175.800 -0.218 0.000 1.066 82 F CA 0.180 58.145 58.000 -0.057 0.000 0.941 82 F CB 1.397 40.377 39.000 -0.032 0.000 1.291 82 F HN 0.857 nan 8.300 nan 0.000 0.472 83 G N 1.877 110.482 108.800 -0.326 0.000 2.720 83 G HA2 -0.346 3.614 3.960 0.000 0.000 0.293 83 G HA3 -0.346 3.614 3.960 0.000 0.000 0.293 83 G C 0.332 174.768 174.900 -0.773 0.000 1.256 83 G CA 0.477 44.773 45.100 -1.340 0.000 0.974 83 G HN 0.872 nan 8.290 nan 0.000 0.551 84 D N 1.433 121.660 120.400 -0.290 0.000 2.368 84 D HA 0.431 5.071 4.640 0.000 0.000 0.218 84 D C 1.796 178.102 176.300 0.009 0.000 1.112 84 D CA 1.158 55.157 54.000 -0.002 0.000 0.834 84 D CB -0.126 40.791 40.800 0.194 0.000 0.953 84 D HN 2.102 nan 8.370 nan 0.000 0.505 85 G N 0.956 109.741 108.800 -0.026 0.000 2.212 85 G HA2 -0.398 3.562 3.960 0.000 0.000 0.266 85 G HA3 -0.398 3.562 3.960 0.000 0.000 0.266 85 G C 0.416 175.340 174.900 0.039 0.000 0.978 85 G CA 0.278 45.376 45.100 -0.003 0.000 0.632 85 G HN 0.508 nan 8.290 nan 0.000 0.537 86 E N 1.070 121.315 120.200 0.074 0.000 2.676 86 E HA 0.384 4.734 4.350 0.000 0.000 0.318 86 E C 0.547 177.196 176.600 0.080 0.000 1.514 86 E CA 0.399 56.848 56.400 0.081 0.000 1.667 86 E CB -0.729 29.036 29.700 0.108 0.000 1.336 86 E HN 0.841 nan 8.360 nan 0.000 0.492 87 N N -0.276 118.463 118.700 0.064 0.000 3.227 87 N HA 0.452 5.192 4.740 0.000 0.000 0.241 87 N C -1.418 174.077 175.510 -0.026 0.000 1.480 87 N CA -1.047 52.018 53.050 0.025 0.000 0.886 87 N CB 0.950 39.521 38.487 0.141 0.000 1.406 87 N HN -0.067 nan 8.380 nan 0.000 0.514 88 R N -0.767 119.614 120.500 -0.198 0.000 2.548 88 R HA 0.499 4.839 4.340 0.000 0.000 0.280 88 R C -1.975 174.065 176.300 -0.432 0.000 1.061 88 R CA -0.409 55.586 56.100 -0.175 0.000 0.915 88 R CB 1.293 31.525 30.300 -0.114 0.000 1.210 88 R HN 0.660 nan 8.270 nan 0.000 0.442 89 Y N 1.161 121.504 120.300 0.071 0.000 2.373 89 Y HA 0.430 4.980 4.550 -0.000 0.000 0.336 89 Y C -0.323 175.587 175.900 0.017 0.000 0.979 89 Y CA -0.913 57.230 58.100 0.071 0.000 1.080 89 Y CB 2.169 40.731 38.460 0.170 0.000 1.190 89 Y HN 0.506 nan 8.280 nan 0.000 0.446 90 N N 2.698 121.452 118.700 0.091 0.000 2.430 90 N HA 0.457 5.197 4.740 0.000 0.000 0.292 90 N C -1.189 174.309 175.510 -0.018 0.000 1.051 90 N CA -0.707 52.348 53.050 0.009 0.000 0.917 90 N CB 1.104 39.574 38.487 -0.029 0.000 1.164 90 N HN 0.342 nan 8.380 nan 0.000 0.484 91 I N 1.811 122.335 120.570 -0.077 0.000 2.648 91 I HA -0.051 4.119 4.170 0.000 0.000 0.284 91 I C 0.975 177.031 176.117 -0.102 0.000 1.153 91 I CA 0.391 61.617 61.300 -0.124 0.000 1.426 91 I CB 0.824 38.686 38.000 -0.230 0.000 1.381 91 I HN 0.452 nan 8.210 nan 0.000 0.571 92 V N 3.567 123.425 119.914 -0.094 0.000 3.562 92 V HA 0.260 4.380 4.120 0.000 0.000 0.270 92 V C -0.349 175.710 176.094 -0.058 0.000 1.418 92 V CA 0.493 62.751 62.300 -0.071 0.000 1.033 92 V CB 0.337 32.118 31.823 -0.070 0.000 0.820 92 V HN 0.808 nan 8.190 nan 0.000 0.441 93 D N 0.629 120.989 120.400 -0.066 0.000 2.613 93 D HA 0.248 4.888 4.640 0.000 0.000 0.230 93 D C -0.428 175.831 176.300 -0.068 0.000 1.365 93 D CA -0.426 53.551 54.000 -0.039 0.000 0.976 93 D CB 1.506 42.308 40.800 0.003 0.000 1.415 93 D HN 0.140 nan 8.370 nan 0.000 0.589 94 R N 2.476 122.927 120.500 -0.083 0.000 2.537 94 R HA 0.267 4.607 4.340 0.000 0.000 0.280 94 R C 0.127 176.420 176.300 -0.012 0.000 1.058 94 R CA -0.189 55.832 56.100 -0.132 0.000 1.057 94 R CB 0.584 30.866 30.300 -0.031 0.000 0.973 94 R HN 0.232 nan 8.270 nan 0.000 0.438 95 N N 2.673 121.382 118.700 0.015 0.000 2.918 95 N HA 0.102 4.842 4.740 0.000 0.000 0.270 95 N C -1.134 174.601 175.510 0.376 0.000 1.536 95 N CA -0.296 52.863 53.050 0.183 0.000 0.877 95 N CB 0.580 39.169 38.487 0.169 0.000 1.190 95 N HN 0.418 nan 8.380 nan 0.000 0.492 96 N N 0.870 119.741 118.700 0.284 0.000 2.468 96 N HA 0.062 4.802 4.740 0.000 0.000 0.265 96 N C 0.365 175.994 175.510 0.199 0.000 1.199 96 N CA 0.050 53.240 53.050 0.234 0.000 0.928 96 N CB 1.067 39.639 38.487 0.142 0.000 1.059 96 N HN 0.344 nan 8.380 nan 0.000 0.467 97 A N 4.162 126.937 122.820 -0.076 0.000 2.498 97 A HA 0.186 4.506 4.320 0.000 0.000 0.239 97 A C -1.085 176.426 177.584 -0.122 0.000 1.068 97 A CA -0.708 51.053 52.037 -0.460 0.000 0.766 97 A CB 0.164 18.764 19.000 -0.666 0.000 1.003 97 A HN 0.473 nan 8.150 nan 0.000 0.497 98 P HA -0.005 nan 4.420 nan 0.000 0.221 98 P C 0.583 177.867 177.300 -0.027 0.000 1.155 98 P CA 1.429 64.525 63.100 -0.006 0.000 0.812 98 P CB 0.284 32.002 31.700 0.029 0.000 0.801 99 S N -1.852 113.813 115.700 -0.058 0.000 2.794 99 S HA 0.447 4.917 4.470 0.000 0.000 0.244 99 S C -0.327 174.235 174.600 -0.065 0.000 1.045 99 S CA -0.519 57.654 58.200 -0.045 0.000 1.114 99 S CB -0.666 62.517 63.200 -0.028 0.000 1.085 99 S HN -0.048 nan 8.310 nan 0.000 0.488 100 L N 1.137 122.309 121.223 -0.084 0.000 2.424 100 L HA 0.534 4.874 4.340 0.000 0.000 0.258 100 L C -1.573 175.285 176.870 -0.020 0.000 0.995 100 L CA -0.537 54.262 54.840 -0.069 0.000 0.821 100 L CB 2.398 44.376 42.059 -0.135 0.000 1.383 100 L HN 0.211 nan 8.230 nan 0.000 0.410 101 D N 2.692 123.105 120.400 0.021 0.000 2.558 101 D HA 0.307 4.947 4.640 0.000 0.000 0.221 101 D C -1.293 175.050 176.300 0.072 0.000 1.143 101 D CA 0.409 54.431 54.000 0.037 0.000 1.010 101 D CB -0.277 40.571 40.800 0.079 0.000 1.068 101 D HN 0.297 nan 8.370 nan 0.000 0.511 102 F N 3.019 122.883 119.950 -0.143 0.000 2.650 102 F HA 0.358 4.885 4.527 -0.000 0.000 0.310 102 F C -1.516 174.266 175.800 -0.029 0.000 1.112 102 F CA -0.654 57.278 58.000 -0.112 0.000 0.986 102 F CB 1.216 40.133 39.000 -0.139 0.000 1.285 102 F HN 0.321 nan 8.300 nan 0.000 0.440 103 H N 2.762 121.362 119.070 -0.784 0.000 2.980 103 H HA 0.880 5.436 4.556 -0.000 0.000 0.367 103 H C -1.874 173.112 175.328 -0.571 0.000 1.206 103 H CA -1.434 54.365 56.048 -0.415 0.000 1.126 103 H CB 2.137 31.824 29.762 -0.125 0.000 1.838 103 H HN 0.829 nan 8.280 nan 0.000 0.552 104 A N 2.757 125.595 122.820 0.030 0.000 3.159 104 A HA 0.368 4.688 4.320 0.000 0.000 0.330 104 A C -2.936 174.707 177.584 0.098 0.000 1.032 104 A CA -1.587 50.501 52.037 0.084 0.000 0.841 104 A CB -0.106 19.081 19.000 0.312 0.000 1.093 104 A HN 0.452 nan 8.150 nan 0.000 0.478 105 P HA 0.012 nan 4.420 nan 0.000 0.264 105 P C -0.088 177.217 177.300 0.008 0.000 1.183 105 P CA 0.153 63.167 63.100 -0.143 0.000 0.763 105 P CB 0.361 31.870 31.700 -0.317 0.000 0.807 106 R N 3.953 124.425 120.500 -0.047 0.000 2.265 106 R HA 0.289 4.629 4.340 0.000 0.000 0.314 106 R C -0.154 176.007 176.300 -0.232 0.000 1.053 106 R CA -0.495 55.423 56.100 -0.303 0.000 0.931 106 R CB -0.005 30.173 30.300 -0.204 0.000 1.024 106 R HN 0.470 nan 8.270 nan 0.000 0.457 107 L N 3.076 124.140 121.223 -0.265 0.000 2.468 107 L HA 0.098 4.438 4.340 0.000 0.000 0.254 107 L C 1.517 178.323 176.870 -0.107 0.000 1.171 107 L CA -0.532 54.240 54.840 -0.112 0.000 0.809 107 L CB 0.735 42.774 42.059 -0.032 0.000 1.155 107 L HN 0.758 nan 8.230 nan 0.000 0.473 108 D N -0.773 119.605 120.400 -0.036 0.000 2.277 108 D HA -0.025 4.615 4.640 0.000 0.000 0.208 108 D C 0.204 176.448 176.300 -0.093 0.000 0.962 108 D CA 1.009 54.970 54.000 -0.065 0.000 0.865 108 D CB 0.295 41.060 40.800 -0.060 0.000 0.939 108 D HN 0.210 nan 8.370 nan 0.000 0.510 109 K N -0.032 120.343 120.400 -0.043 0.000 2.536 109 K HA 0.397 4.717 4.320 0.000 0.000 0.269 109 K C -0.532 176.066 176.600 -0.004 0.000 0.965 109 K CA -0.781 55.421 56.287 -0.142 0.000 0.860 109 K CB 2.598 34.855 32.500 -0.406 0.000 1.423 109 K HN -0.022 nan 8.250 nan 0.000 0.438 110 L N 1.742 122.951 121.223 -0.022 0.000 2.380 110 L HA 0.243 4.583 4.340 0.000 0.000 0.273 110 L C 0.201 177.154 176.870 0.138 0.000 1.138 110 L CA -0.855 54.001 54.840 0.027 0.000 0.832 110 L CB 0.774 42.867 42.059 0.058 0.000 1.124 110 L HN 0.153 nan 8.230 nan 0.000 0.454 111 V N 2.304 122.116 119.914 -0.170 0.000 2.530 111 V HA 0.088 4.208 4.120 0.000 0.000 0.282 111 V C 1.149 177.181 176.094 -0.104 0.000 1.048 111 V CA 0.207 62.278 62.300 -0.381 0.000 0.997 111 V CB 1.291 32.611 31.823 -0.839 0.000 0.987 111 V HN 1.015 nan 8.190 nan 0.000 0.477 112 T N 0.204 114.790 114.554 0.054 0.000 3.000 112 T HA 0.092 4.442 4.350 0.000 0.000 0.248 112 T C 1.181 175.907 174.700 0.044 0.000 1.034 112 T CA 0.110 62.235 62.100 0.042 0.000 1.060 112 T CB 0.143 69.025 68.868 0.023 0.000 0.983 112 T HN 0.527 nan 8.240 nan 0.000 0.482 113 E N 1.530 121.782 120.200 0.088 0.000 2.230 113 E HA 0.192 4.542 4.350 0.000 0.000 0.192 113 E C 0.881 177.589 176.600 0.179 0.000 0.987 113 E CA 0.475 56.984 56.400 0.182 0.000 0.841 113 E CB 0.337 30.206 29.700 0.280 0.000 0.783 113 E HN 0.676 nan 8.360 nan 0.000 0.481 114 V N -3.154 116.766 119.914 0.011 0.000 3.078 114 V HA 0.846 4.966 4.120 0.000 0.000 0.311 114 V C -0.593 175.453 176.094 -0.080 0.000 1.138 114 V CA -1.390 60.916 62.300 0.009 0.000 1.007 114 V CB 1.762 33.576 31.823 -0.014 0.000 1.045 114 V HN -0.056 nan 8.190 nan 0.000 0.432 115 A N 3.288 126.092 122.820 -0.027 0.000 2.316 115 A HA 0.888 5.208 4.320 0.000 0.000 0.284 115 A C -2.238 175.323 177.584 -0.038 0.000 1.115 115 A CA -1.652 50.364 52.037 -0.036 0.000 0.812 115 A CB 0.049 19.049 19.000 -0.000 0.000 1.064 115 A HN 0.861 nan 8.150 nan 0.000 0.489 116 P HA 0.120 nan 4.420 nan 0.000 0.269 116 P C 0.095 177.442 177.300 0.078 0.000 1.215 116 P CA 0.089 63.191 63.100 0.004 0.000 0.780 116 P CB 0.436 32.134 31.700 -0.003 0.000 0.898 117 T N 0.386 115.031 114.554 0.151 0.000 2.910 117 T HA 0.481 4.831 4.350 0.000 0.000 0.293 117 T C 0.168 174.983 174.700 0.191 0.000 1.015 117 T CA -0.476 61.758 62.100 0.223 0.000 1.094 117 T CB -0.046 69.066 68.868 0.407 0.000 0.968 117 T HN 0.480 nan 8.240 nan 0.000 0.521 118 A N 3.441 126.374 122.820 0.188 0.000 2.498 118 A HA 0.494 4.814 4.320 0.000 0.000 0.239 118 A C 0.626 178.314 177.584 0.174 0.000 1.068 118 A CA -0.235 51.897 52.037 0.157 0.000 0.766 118 A CB -0.254 18.829 19.000 0.138 0.000 1.003 118 A HN 1.210 nan 8.150 nan 0.000 0.497 119 V N 0.685 120.681 119.914 0.136 0.000 2.966 119 V HA 0.725 4.845 4.120 0.000 0.000 0.317 119 V C 0.642 176.795 176.094 0.097 0.000 1.070 119 V CA -0.127 62.238 62.300 0.109 0.000 1.008 119 V CB 1.160 33.044 31.823 0.101 0.000 1.070 119 V HN 1.142 nan 8.190 nan 0.000 0.457 120 T N 2.075 116.675 114.554 0.076 0.000 2.891 120 T HA 0.202 4.552 4.350 0.000 0.000 0.296 120 T C 1.275 176.046 174.700 0.119 0.000 1.025 120 T CA 0.590 62.761 62.100 0.118 0.000 1.149 120 T CB 0.436 69.368 68.868 0.107 0.000 1.007 120 T HN 1.538 nan 8.240 nan 0.000 0.528 121 A N 4.672 127.572 122.820 0.133 0.000 2.014 121 A HA 0.093 4.413 4.320 0.000 0.000 0.218 121 A C 1.148 178.781 177.584 0.083 0.000 1.163 121 A CA 0.850 52.938 52.037 0.086 0.000 0.652 121 A CB -0.105 18.929 19.000 0.055 0.000 0.808 121 A HN 0.893 nan 8.150 nan 0.000 0.449 122 Q N -0.902 118.974 119.800 0.127 0.000 2.274 122 Q HA 0.518 4.858 4.340 0.000 0.000 0.260 122 Q C 0.665 176.744 176.000 0.131 0.000 0.974 122 Q CA -0.226 55.635 55.803 0.096 0.000 0.876 122 Q CB 1.731 30.511 28.738 0.071 0.000 1.297 122 Q HN 0.290 nan 8.270 nan 0.000 0.446 123 G N 0.938 109.784 108.800 0.077 0.000 3.372 123 G HA2 0.298 4.258 3.960 0.000 0.000 0.178 123 G HA3 0.298 4.258 3.960 0.000 0.000 0.178 123 G C -0.145 174.817 174.900 0.102 0.000 1.817 123 G CA -0.109 45.030 45.100 0.065 0.000 0.996 123 G HN 0.677 nan 8.290 nan 0.000 0.559 124 A N 0.059 122.896 122.820 0.028 0.000 3.076 124 A HA 0.474 4.794 4.320 0.000 0.000 0.269 124 A C -0.279 177.320 177.584 0.025 0.000 1.916 124 A CA 0.008 52.057 52.037 0.020 0.000 1.492 124 A CB -0.929 18.048 19.000 -0.039 0.000 1.000 124 A HN 0.299 nan 8.150 nan 0.000 0.615 125 V N 1.965 121.909 119.914 0.049 0.000 2.347 125 V HA 0.455 4.575 4.120 0.000 0.000 0.280 125 V C 0.841 176.926 176.094 -0.015 0.000 1.021 125 V CA -0.421 61.877 62.300 -0.004 0.000 0.847 125 V CB 1.081 32.882 31.823 -0.038 0.000 0.990 125 V HN 0.823 nan 8.190 nan 0.000 0.444 126 A N 4.227 127.044 122.820 -0.006 0.000 2.524 126 A HA 0.498 4.818 4.320 0.000 0.000 0.250 126 A C 1.552 179.132 177.584 -0.006 0.000 1.078 126 A CA 0.741 52.782 52.037 0.007 0.000 0.761 126 A CB -0.468 18.539 19.000 0.013 0.000 1.012 126 A HN 2.132 nan 8.150 nan 0.000 0.500 127 G N 1.210 110.017 108.800 0.011 0.000 2.184 127 G HA2 -0.098 3.862 3.960 0.000 0.000 0.264 127 G HA3 -0.098 3.862 3.960 0.000 0.000 0.264 127 G C 1.239 176.110 174.900 -0.049 0.000 0.975 127 G CA 1.208 46.312 45.100 0.007 0.000 0.642 127 G HN 1.993 nan 8.290 nan 0.000 0.536 128 A N -0.255 122.454 122.820 -0.185 0.000 1.917 128 A HA 0.086 4.406 4.320 0.000 0.000 0.219 128 A C 1.881 179.267 177.584 -0.331 0.000 1.182 128 A CA 2.145 53.969 52.037 -0.355 0.000 0.633 128 A CB -0.510 18.091 19.000 -0.664 0.000 0.819 128 A HN 0.909 nan 8.150 nan 0.000 0.448 129 Y N -1.496 118.865 120.300 0.101 0.000 2.529 129 Y HA 0.164 4.714 4.550 -0.000 0.000 0.290 129 Y C 1.726 177.741 175.900 0.191 0.000 1.177 129 Y CA -0.122 58.047 58.100 0.115 0.000 1.305 129 Y CB -0.010 38.402 38.460 -0.081 0.000 1.047 129 Y HN 0.220 nan 8.280 nan 0.000 0.522 130 L N 0.153 121.483 121.223 0.179 0.000 2.341 130 L HA 0.001 4.341 4.340 0.000 0.000 0.214 130 L C 0.388 177.365 176.870 0.177 0.000 1.115 130 L CA 0.994 55.925 54.840 0.152 0.000 0.820 130 L CB -0.469 41.645 42.059 0.091 0.000 0.944 130 L HN 0.078 nan 8.230 nan 0.000 0.452 131 D N 0.232 120.744 120.400 0.186 0.000 2.367 131 D HA -0.023 4.617 4.640 0.000 0.000 0.255 131 D C 0.894 177.299 176.300 0.174 0.000 1.300 131 D CA 0.259 54.342 54.000 0.139 0.000 0.959 131 D CB 0.552 41.395 40.800 0.072 0.000 1.064 131 D HN 0.181 nan 8.370 nan 0.000 0.509 132 K N 2.207 122.695 120.400 0.147 0.000 2.525 132 K HA -0.021 4.299 4.320 0.000 0.000 0.192 132 K C 1.346 177.981 176.600 0.059 0.000 1.029 132 K CA 0.392 56.766 56.287 0.145 0.000 1.029 132 K CB 0.594 33.179 32.500 0.143 0.000 0.814 132 K HN 0.445 nan 8.250 nan 0.000 0.503 133 E N 0.553 120.759 120.200 0.009 0.000 2.086 133 E HA -0.026 4.324 4.350 0.000 0.000 0.190 133 E C 2.052 178.579 176.600 -0.122 0.000 0.975 133 E CA 0.400 56.777 56.400 -0.040 0.000 0.813 133 E CB 0.297 29.971 29.700 -0.044 0.000 0.768 133 E HN 0.110 nan 8.360 nan 0.000 0.457 134 R N -0.172 120.198 120.500 -0.217 0.000 2.062 134 R HA -0.020 4.320 4.340 0.000 0.000 0.226 134 R C 0.144 176.079 176.300 -0.608 0.000 1.125 134 R CA 1.005 56.791 56.100 -0.523 0.000 0.966 134 R CB 0.229 30.040 30.300 -0.814 0.000 0.861 134 R HN 0.179 nan 8.270 nan 0.000 0.433 135 Y N 0.497 120.757 120.300 -0.067 0.000 2.787 135 Y HA 0.296 4.846 4.550 -0.000 0.000 0.352 135 Y C -1.706 174.129 175.900 -0.108 0.000 1.027 135 Y CA -1.996 56.007 58.100 -0.162 0.000 1.219 135 Y CB 1.656 40.040 38.460 -0.127 0.000 1.110 135 Y HN 0.093 nan 8.280 nan 0.000 0.614 136 P HA -0.003 nan 4.420 nan 0.000 0.245 136 P C -0.025 177.315 177.300 0.067 0.000 1.212 136 P CA 0.636 63.771 63.100 0.059 0.000 0.774 136 P CB 1.182 32.899 31.700 0.028 0.000 0.999 137 V N -0.341 119.520 119.914 -0.088 0.000 2.950 137 V HA 0.436 4.556 4.120 0.000 0.000 0.295 137 V C -1.886 174.081 176.094 -0.210 0.000 1.297 137 V CA -0.796 61.514 62.300 0.016 0.000 0.962 137 V CB 1.827 33.673 31.823 0.039 0.000 1.081 137 V HN -0.229 nan 8.190 nan 0.000 0.432 138 F N 6.183 126.321 119.950 0.313 0.000 2.540 138 F HA 0.799 5.326 4.527 -0.000 0.000 0.317 138 F C -0.835 175.380 175.800 0.692 0.000 1.104 138 F CA -0.607 57.611 58.000 0.363 0.000 0.913 138 F CB 2.008 41.088 39.000 0.133 0.000 1.170 138 F HN 0.359 nan 8.300 nan 0.000 0.450 139 Y N 1.455 122.138 120.300 0.640 0.000 2.536 139 Y HA 0.778 5.328 4.550 0.000 0.000 0.347 139 Y C -0.196 175.990 175.900 0.476 0.000 1.000 139 Y CA -1.956 56.495 58.100 0.584 0.000 1.051 139 Y CB 2.358 41.228 38.460 0.684 0.000 1.259 139 Y HN 0.634 nan 8.280 nan 0.000 0.468 140 R N 1.672 122.472 120.500 0.499 0.000 2.810 140 R HA 0.971 5.311 4.340 0.000 0.000 0.266 140 R C -1.947 174.433 176.300 0.133 0.000 1.061 140 R CA -1.231 55.057 56.100 0.314 0.000 0.943 140 R CB 2.468 32.944 30.300 0.293 0.000 1.237 140 R HN 0.610 nan 8.270 nan 0.000 0.459 141 L N -3.246 117.998 121.223 0.034 0.000 2.710 141 L HA 0.974 5.314 4.340 0.000 0.000 0.260 141 L C -0.895 175.962 176.870 -0.022 0.000 0.993 141 L CA -0.612 54.199 54.840 -0.049 0.000 0.877 141 L CB 2.308 44.229 42.059 -0.230 0.000 1.461 141 L HN 1.017 nan 8.230 nan 0.000 0.413 142 G N -0.218 108.559 108.800 -0.038 0.000 2.506 142 G HA2 0.452 4.412 3.960 0.000 0.000 0.292 142 G HA3 0.452 4.412 3.960 0.000 0.000 0.292 142 G C -0.616 174.235 174.900 -0.081 0.000 1.425 142 G CA -0.017 45.054 45.100 -0.048 0.000 0.788 142 G HN 1.205 nan 8.290 nan 0.000 0.490 143 S N -0.599 115.049 115.700 -0.087 0.000 2.651 143 S HA 0.521 4.991 4.470 0.000 0.000 0.246 143 S C 1.038 175.464 174.600 -0.289 0.000 1.039 143 S CA 0.510 58.611 58.200 -0.165 0.000 1.013 143 S CB 0.167 63.321 63.200 -0.078 0.000 0.861 143 S HN 1.452 nan 8.310 nan 0.000 0.485 144 G N 1.218 109.858 108.800 -0.267 0.000 2.699 144 G HA2 0.346 4.306 3.960 0.000 0.000 0.246 144 G HA3 0.346 4.306 3.960 0.000 0.000 0.246 144 G C -0.028 174.627 174.900 -0.407 0.000 1.219 144 G CA -0.385 44.509 45.100 -0.344 0.000 0.866 144 G HN 0.364 nan 8.290 nan 0.000 0.572 145 T N 1.733 116.045 114.554 -0.405 0.000 2.718 145 T HA -0.007 4.343 4.350 0.000 0.000 0.265 145 T C 0.227 174.643 174.700 -0.472 0.000 1.014 145 T CA 0.739 62.571 62.100 -0.447 0.000 1.172 145 T CB 0.098 68.770 68.868 -0.326 0.000 1.007 145 T HN 0.388 nan 8.240 nan 0.000 0.500 146 Q N 3.230 122.676 119.800 -0.589 0.000 2.368 146 Q HA 0.346 4.686 4.340 0.000 0.000 0.256 146 Q C -0.854 174.890 176.000 -0.427 0.000 0.980 146 Q CA -0.177 55.400 55.803 -0.376 0.000 0.887 146 Q CB 1.031 29.603 28.738 -0.276 0.000 1.221 146 Q HN 0.668 nan 8.270 nan 0.000 0.458 147 Y N 1.220 121.505 120.300 -0.025 0.000 2.549 147 Y HA 0.557 5.107 4.550 -0.000 0.000 0.339 147 Y C 0.675 176.558 175.900 -0.028 0.000 1.053 147 Y CA -1.326 56.756 58.100 -0.029 0.000 1.105 147 Y CB 1.437 39.880 38.460 -0.027 0.000 1.258 147 Y HN 0.492 nan 8.280 nan 0.000 0.478 148 I N -0.172 120.473 120.570 0.125 0.000 2.577 148 I HA 0.693 4.863 4.170 0.000 0.000 0.305 148 I C -0.907 175.257 176.117 0.079 0.000 0.986 148 I CA -0.983 60.355 61.300 0.064 0.000 1.189 148 I CB 1.996 39.998 38.000 0.003 0.000 1.355 148 I HN 0.547 nan 8.210 nan 0.000 0.476 149 K N 3.448 123.880 120.400 0.053 0.000 2.507 149 K HA 0.313 4.633 4.320 0.000 0.000 0.251 149 K C -1.440 175.290 176.600 0.216 0.000 0.943 149 K CA -0.607 55.729 56.287 0.081 0.000 0.794 149 K CB 1.462 33.983 32.500 0.035 0.000 1.188 149 K HN 0.879 nan 8.250 nan 0.000 0.428 150 D N 1.779 122.301 120.400 0.204 0.000 2.383 150 D HA 0.106 4.746 4.640 0.000 0.000 0.248 150 D C -0.275 176.109 176.300 0.140 0.000 1.170 150 D CA -0.373 53.791 54.000 0.273 0.000 0.977 150 D CB 0.967 41.837 40.800 0.117 0.000 1.120 150 D HN 0.396 nan 8.370 nan 0.000 0.481 151 S N 0.041 115.581 115.700 -0.267 0.000 2.572 151 S HA 0.217 4.687 4.470 0.000 0.000 0.279 151 S C 0.328 174.794 174.600 -0.224 0.000 1.341 151 S CA -0.485 57.370 58.200 -0.576 0.000 1.043 151 S CB 0.373 63.158 63.200 -0.691 0.000 0.887 151 S HN 0.647 nan 8.310 nan 0.000 0.516 152 N N 0.553 119.144 118.700 -0.182 0.000 2.955 152 N HA -0.145 4.595 4.740 0.000 0.000 0.199 152 N C 0.823 176.286 175.510 -0.078 0.000 0.939 152 N CA 1.523 54.511 53.050 -0.103 0.000 1.028 152 N CB -1.718 36.725 38.487 -0.073 0.000 1.000 152 N HN 1.802 nan 8.380 nan 0.000 0.577 153 G N 0.713 109.472 108.800 -0.069 0.000 2.198 153 G HA2 -0.348 3.612 3.960 0.000 0.000 0.260 153 G HA3 -0.348 3.612 3.960 0.000 0.000 0.260 153 G C -0.177 174.694 174.900 -0.049 0.000 1.025 153 G CA 1.007 46.077 45.100 -0.050 0.000 0.769 153 G HN 0.713 nan 8.290 nan 0.000 0.507 154 Q N 0.154 119.938 119.800 -0.026 0.000 2.295 154 Q HA 0.613 4.953 4.340 0.000 0.000 0.259 154 Q C 0.345 176.335 176.000 -0.015 0.000 0.976 154 Q CA -0.507 55.281 55.803 -0.026 0.000 0.923 154 Q CB 0.470 29.201 28.738 -0.012 0.000 1.185 154 Q HN 0.425 nan 8.270 nan 0.000 0.410 155 L N 3.978 125.172 121.223 -0.049 0.000 2.276 155 L HA 0.460 4.800 4.340 0.000 0.000 0.286 155 L C -0.170 176.740 176.870 0.068 0.000 1.061 155 L CA -0.655 54.166 54.840 -0.032 0.000 0.807 155 L CB 1.344 43.259 42.059 -0.239 0.000 1.177 155 L HN 0.620 nan 8.230 nan 0.000 0.429 156 T N 2.467 117.091 114.554 0.117 0.000 2.749 156 T HA 0.216 4.566 4.350 0.000 0.000 0.287 156 T C -0.052 174.767 174.700 0.198 0.000 0.970 156 T CA -0.649 61.524 62.100 0.122 0.000 0.980 156 T CB 1.359 70.252 68.868 0.043 0.000 0.924 156 T HN 0.410 nan 8.240 nan 0.000 0.456 157 K N 3.193 123.695 120.400 0.170 0.000 2.322 157 K HA 0.221 4.541 4.320 0.000 0.000 0.283 157 K C 0.800 177.342 176.600 -0.097 0.000 1.042 157 K CA -0.366 55.866 56.287 -0.093 0.000 0.958 157 K CB 0.382 32.804 32.500 -0.131 0.000 0.984 157 K HN 0.439 nan 8.250 nan 0.000 0.473 158 M N 1.937 121.456 119.600 -0.135 0.000 2.421 158 M HA 0.241 4.721 4.480 0.000 0.000 0.258 158 M C 0.559 176.954 176.300 0.159 0.000 1.122 158 M CA 0.158 55.458 55.300 0.000 0.000 1.078 158 M CB 0.886 33.464 32.600 -0.037 0.000 1.380 158 M HN 0.742 nan 8.290 nan 0.000 0.499 159 G N -0.589 108.180 108.800 -0.052 0.000 2.519 159 G HA2 0.501 4.461 3.960 0.000 0.000 0.292 159 G HA3 0.501 4.461 3.960 0.000 0.000 0.292 159 G C -0.794 173.871 174.900 -0.392 0.000 1.507 159 G CA -0.446 44.570 45.100 -0.140 0.000 0.806 159 G HN 0.232 nan 8.290 nan 0.000 0.523 160 G N -0.604 108.008 108.800 -0.313 0.000 2.616 160 G HA2 0.692 4.652 3.960 0.000 0.000 0.268 160 G HA3 0.692 4.652 3.960 0.000 0.000 0.268 160 G C 0.769 175.391 174.900 -0.462 0.000 1.213 160 G CA 0.489 45.387 45.100 -0.336 0.000 0.926 160 G HN 1.671 nan 8.290 nan 0.000 0.523 161 A N -1.171 121.350 122.820 -0.499 0.000 2.483 161 A HA 0.451 4.771 4.320 0.000 0.000 0.238 161 A C -0.078 177.150 177.584 -0.593 0.000 1.070 161 A CA 0.257 51.855 52.037 -0.732 0.000 0.770 161 A CB -0.466 17.874 19.000 -1.099 0.000 1.008 161 A HN 1.421 nan 8.150 nan 0.000 0.497 162 Y N 0.481 120.630 120.300 -0.252 0.000 4.134 162 Y HA -0.215 4.335 4.550 -0.000 0.000 0.234 162 Y C 1.419 177.222 175.900 -0.162 0.000 1.200 162 Y CA 0.589 58.576 58.100 -0.188 0.000 1.958 162 Y CB -2.488 35.892 38.460 -0.132 0.000 1.605 162 Y HN 0.539 nan 8.280 nan 0.000 0.690 163 S N -2.487 113.127 115.700 -0.144 0.000 2.599 163 S HA 0.307 4.777 4.470 0.000 0.000 0.236 163 S C 0.316 175.017 174.600 0.168 0.000 1.077 163 S CA 0.513 58.700 58.200 -0.021 0.000 0.906 163 S CB 0.908 64.067 63.200 -0.068 0.000 0.804 163 S HN 0.595 nan 8.310 nan 0.000 0.497 164 W N -0.076 121.213 121.300 -0.017 0.000 2.961 164 W HA 0.741 5.401 4.660 0.000 0.000 0.368 164 W C -2.255 174.246 176.519 -0.030 0.000 1.213 164 W CA -1.118 56.208 57.345 -0.031 0.000 1.173 164 W CB 0.137 29.580 29.460 -0.029 0.000 1.487 164 W HN -0.206 nan 8.180 nan 0.000 0.585 165 L N 2.335 123.718 121.223 0.267 0.000 2.325 165 L HA 0.826 5.166 4.340 0.000 0.000 0.278 165 L C -0.063 176.917 176.870 0.184 0.000 1.023 165 L CA -0.852 54.054 54.840 0.109 0.000 0.811 165 L CB 2.104 44.201 42.059 0.063 0.000 1.249 165 L HN 0.597 nan 8.230 nan 0.000 0.431 166 T N -0.848 113.741 114.554 0.058 0.000 2.912 166 T HA 0.819 5.169 4.350 0.000 0.000 0.299 166 T C -0.341 174.362 174.700 0.004 0.000 1.052 166 T CA -0.766 61.356 62.100 0.037 0.000 0.996 166 T CB 2.147 70.995 68.868 -0.034 0.000 1.070 166 T HN 0.759 nan 8.240 nan 0.000 0.465 167 G N -0.665 108.151 108.800 0.027 0.000 2.672 167 G HA2 0.886 4.846 3.960 0.000 0.000 0.292 167 G HA3 0.886 4.846 3.960 0.000 0.000 0.292 167 G C -0.469 174.117 174.900 -0.523 0.000 1.375 167 G CA -0.374 44.705 45.100 -0.036 0.000 0.890 167 G HN 1.270 nan 8.290 nan 0.000 0.476 168 G N -1.195 107.156 108.800 -0.749 0.000 2.393 168 G HA2 0.668 4.628 3.960 0.000 0.000 0.264 168 G HA3 0.668 4.628 3.960 0.000 0.000 0.264 168 G C -0.290 174.346 174.900 -0.440 0.000 1.221 168 G CA 0.591 45.027 45.100 -1.106 0.000 0.912 168 G HN 1.427 nan 8.290 nan 0.000 0.483 169 T N -2.385 112.056 114.554 -0.188 0.000 2.927 169 T HA 0.786 5.136 4.350 0.000 0.000 0.281 169 T C -0.676 174.139 174.700 0.192 0.000 0.998 169 T CA -0.788 61.387 62.100 0.125 0.000 1.019 169 T CB 1.959 70.931 68.868 0.173 0.000 1.061 169 T HN 1.234 nan 8.240 nan 0.000 0.518 170 V N -0.009 120.074 119.914 0.282 0.000 3.048 170 V HA 0.694 4.814 4.120 0.000 0.000 0.303 170 V C 0.592 176.814 176.094 0.214 0.000 1.214 170 V CA -0.615 61.812 62.300 0.211 0.000 0.984 170 V CB 2.303 34.224 31.823 0.163 0.000 1.054 170 V HN 1.363 nan 8.190 nan 0.000 0.430 171 G N 1.629 110.505 108.800 0.128 0.000 2.580 171 G HA2 0.488 4.448 3.960 0.000 0.000 0.278 171 G HA3 0.488 4.448 3.960 0.000 0.000 0.278 171 G C 0.109 174.983 174.900 -0.043 0.000 1.212 171 G CA -0.282 44.892 45.100 0.123 0.000 0.939 171 G HN 0.747 nan 8.290 nan 0.000 0.513 172 S N -1.263 114.457 115.700 0.034 0.000 2.566 172 S HA 0.240 4.710 4.470 0.000 0.000 0.280 172 S C -0.197 174.287 174.600 -0.194 0.000 1.343 172 S CA 0.149 58.298 58.200 -0.084 0.000 1.036 172 S CB 0.477 63.772 63.200 0.158 0.000 0.866 172 S HN 0.366 nan 8.310 nan 0.000 0.526 173 L N 1.826 122.889 121.223 -0.268 0.000 2.381 173 L HA 0.526 4.866 4.340 0.000 0.000 0.268 173 L C 0.293 177.166 176.870 0.005 0.000 0.997 173 L CA -0.409 54.334 54.840 -0.161 0.000 0.818 173 L CB 2.055 43.920 42.059 -0.323 0.000 1.310 173 L HN 0.728 nan 8.230 nan 0.000 0.416 174 S N 0.232 115.970 115.700 0.064 0.000 2.687 174 S HA 0.820 5.290 4.470 0.000 0.000 0.283 174 S C -0.229 174.458 174.600 0.144 0.000 1.170 174 S CA -0.692 57.570 58.200 0.102 0.000 1.008 174 S CB 1.590 64.849 63.200 0.099 0.000 1.026 174 S HN 0.506 nan 8.310 nan 0.000 0.541 175 S N 0.926 116.708 115.700 0.138 0.000 2.578 175 S HA 0.803 5.273 4.470 0.000 0.000 0.301 175 S C -1.004 173.714 174.600 0.196 0.000 1.091 175 S CA -0.689 57.581 58.200 0.117 0.000 1.032 175 S CB 0.764 64.004 63.200 0.068 0.000 1.064 175 S HN 0.921 nan 8.310 nan 0.000 0.508 176 Y N -1.007 119.318 120.300 0.042 0.000 2.744 176 Y HA 0.588 5.138 4.550 -0.000 0.000 0.330 176 Y C -0.121 175.793 175.900 0.023 0.000 1.263 176 Y CA -1.359 56.758 58.100 0.028 0.000 1.065 176 Y CB 0.499 38.973 38.460 0.023 0.000 1.306 176 Y HN 0.644 nan 8.280 nan 0.000 0.459 177 Q N 2.243 122.123 119.800 0.134 0.000 2.451 177 Q HA -0.304 4.036 4.340 0.000 0.000 0.305 177 Q C -0.456 175.517 176.000 -0.044 0.000 1.345 177 Q CA 1.188 57.002 55.803 0.018 0.000 0.854 177 Q CB -1.298 27.400 28.738 -0.066 0.000 1.162 177 Q HN 0.896 nan 8.270 nan 0.000 0.440 178 N N -1.857 116.841 118.700 -0.004 0.000 2.758 178 N HA -0.241 4.499 4.740 0.000 0.000 0.248 178 N C 0.680 176.173 175.510 -0.029 0.000 1.076 178 N CA 1.545 54.588 53.050 -0.011 0.000 0.696 178 N CB -1.363 37.116 38.487 -0.013 0.000 0.979 178 N HN 1.072 nan 8.380 nan 0.000 0.550 179 G N -0.305 108.474 108.800 -0.035 0.000 2.220 179 G HA2 -0.371 3.589 3.960 0.000 0.000 0.269 179 G HA3 -0.371 3.589 3.960 0.000 0.000 0.269 179 G C 0.767 175.626 174.900 -0.068 0.000 0.977 179 G CA 0.957 46.040 45.100 -0.028 0.000 0.634 179 G HN 0.624 nan 8.290 nan 0.000 0.539 180 E N -0.641 119.488 120.200 -0.119 0.000 2.338 180 E HA 0.122 4.472 4.350 0.000 0.000 0.197 180 E C 1.158 177.632 176.600 -0.209 0.000 1.007 180 E CA 0.599 56.913 56.400 -0.145 0.000 0.849 180 E CB -0.003 29.619 29.700 -0.131 0.000 0.774 180 E HN 0.489 nan 8.360 nan 0.000 0.506 181 M N -0.020 119.370 119.600 -0.349 0.000 2.593 181 M HA 0.444 4.925 4.480 0.000 0.000 0.290 181 M C -1.085 174.953 176.300 -0.437 0.000 1.244 181 M CA -0.932 54.084 55.300 -0.474 0.000 0.857 181 M CB 2.237 34.298 32.600 -0.898 0.000 1.738 181 M HN -0.143 nan 8.290 nan 0.000 0.461 182 I N 0.841 121.315 120.570 -0.159 0.000 2.802 182 I HA 0.605 4.775 4.170 0.000 0.000 0.298 182 I C -0.863 175.446 176.117 0.321 0.000 1.176 182 I CA 0.270 61.608 61.300 0.063 0.000 1.025 182 I CB 2.169 40.167 38.000 -0.002 0.000 1.243 182 I HN 0.850 nan 8.210 nan 0.000 0.424 183 S N 3.080 118.980 115.700 0.334 0.000 2.607 183 S HA 0.911 5.381 4.470 0.000 0.000 0.273 183 S C -0.755 173.992 174.600 0.244 0.000 1.148 183 S CA -0.675 57.745 58.200 0.367 0.000 0.833 183 S CB 2.074 65.457 63.200 0.305 0.000 1.130 183 S HN 0.741 nan 8.310 nan 0.000 0.470 184 T N 0.141 114.864 114.554 0.281 0.000 2.802 184 T HA 0.563 4.913 4.350 0.000 0.000 0.311 184 T C -0.998 173.814 174.700 0.186 0.000 1.405 184 T CA -0.189 62.015 62.100 0.174 0.000 1.016 184 T CB 1.417 70.338 68.868 0.087 0.000 1.352 184 T HN 1.317 nan 8.240 nan 0.000 0.498 185 S N 1.918 117.694 115.700 0.127 0.000 4.120 185 S HA 0.232 4.702 4.470 0.000 0.000 0.196 185 S C 1.400 176.078 174.600 0.130 0.000 1.447 185 S CA 0.040 58.305 58.200 0.108 0.000 0.939 185 S CB -0.451 62.784 63.200 0.058 0.000 1.496 185 S HN 0.726 nan 8.310 nan 0.000 0.460 186 S N 1.524 117.355 115.700 0.219 0.000 2.453 186 S HA 0.050 4.520 4.470 0.000 0.000 0.231 186 S C 1.873 176.615 174.600 0.235 0.000 1.005 186 S CA 0.478 58.833 58.200 0.258 0.000 0.949 186 S CB -0.808 62.620 63.200 0.379 0.000 0.774 186 S HN 0.732 nan 8.310 nan 0.000 0.510 187 G N 1.574 110.476 108.800 0.171 0.000 2.535 187 G HA2 0.053 4.013 3.960 0.000 0.000 0.218 187 G HA3 0.053 4.013 3.960 0.000 0.000 0.218 187 G C 0.624 175.419 174.900 -0.175 0.000 1.122 187 G CA 0.120 45.048 45.100 -0.286 0.000 0.769 187 G HN 0.552 nan 8.290 nan 0.000 0.549 188 L N 2.376 123.570 121.223 -0.048 0.000 2.423 188 L HA 0.137 4.477 4.340 0.000 0.000 0.249 188 L C 1.554 178.408 176.870 -0.027 0.000 1.276 188 L CA -0.641 54.186 54.840 -0.023 0.000 1.199 188 L CB 0.763 42.821 42.059 -0.002 0.000 1.407 188 L HN 0.109 nan 8.230 nan 0.000 0.410 189 V N -3.418 116.462 119.914 -0.056 0.000 3.510 189 V HA -0.043 4.077 4.120 0.000 0.000 0.270 189 V C 1.276 177.131 176.094 -0.397 0.000 1.201 189 V CA 0.954 63.149 62.300 -0.176 0.000 1.166 189 V CB -0.924 30.778 31.823 -0.202 0.000 0.825 189 V HN 0.459 nan 8.190 nan 0.000 0.484 190 F N -0.069 119.722 119.950 -0.265 0.000 2.720 190 F HA 0.405 4.932 4.527 -0.000 0.000 0.301 190 F C 1.172 176.611 175.800 -0.601 0.000 1.103 190 F CA -0.173 57.571 58.000 -0.426 0.000 1.291 190 F CB 0.452 39.322 39.000 -0.217 0.000 1.086 190 F HN 0.145 nan 8.300 nan 0.000 0.592 191 D N -0.156 120.114 120.400 -0.216 0.000 2.558 191 D HA -0.000 4.640 4.640 0.000 0.000 0.221 191 D C 0.839 177.073 176.300 -0.110 0.000 1.143 191 D CA 0.017 53.942 54.000 -0.126 0.000 1.010 191 D CB -0.201 40.588 40.800 -0.017 0.000 1.068 191 D HN 0.162 nan 8.370 nan 0.000 0.511 192 Y N 1.792 122.135 120.300 0.071 0.000 2.256 192 Y HA -0.237 4.313 4.550 0.000 0.000 0.288 192 Y C 2.233 178.170 175.900 0.060 0.000 1.155 192 Y CA 1.278 59.405 58.100 0.045 0.000 1.203 192 Y CB -0.364 38.100 38.460 0.006 0.000 0.980 192 Y HN 0.387 nan 8.280 nan 0.000 0.530 193 K N -0.747 119.772 120.400 0.200 0.000 2.366 193 K HA -0.008 4.312 4.320 0.000 0.000 0.198 193 K C 1.618 178.297 176.600 0.133 0.000 1.044 193 K CA 1.277 57.657 56.287 0.155 0.000 0.973 193 K CB -0.220 32.358 32.500 0.129 0.000 0.767 193 K HN 0.301 nan 8.250 nan 0.000 0.475 194 L N 0.211 121.505 121.223 0.118 0.000 2.388 194 L HA 0.257 4.597 4.340 0.000 0.000 0.209 194 L C 0.613 177.559 176.870 0.125 0.000 1.061 194 L CA 0.898 55.802 54.840 0.106 0.000 0.834 194 L CB 0.289 42.394 42.059 0.077 0.000 1.029 194 L HN 0.067 nan 8.230 nan 0.000 0.473 195 N N 0.242 119.018 118.700 0.126 0.000 2.187 195 N HA 0.356 5.096 4.740 0.000 0.000 0.212 195 N C 0.461 176.084 175.510 0.188 0.000 1.152 195 N CA 0.763 53.900 53.050 0.144 0.000 0.872 195 N CB 0.910 39.456 38.487 0.099 0.000 1.025 195 N HN 0.394 nan 8.380 nan 0.000 0.514 196 G N 0.662 109.587 108.800 0.208 0.000 2.728 196 G HA2 -0.163 3.797 3.960 0.000 0.000 0.294 196 G HA3 -0.163 3.797 3.960 0.000 0.000 0.294 196 G C 0.656 175.699 174.900 0.238 0.000 1.342 196 G CA -0.237 44.998 45.100 0.225 0.000 0.866 196 G HN 0.259 nan 8.290 nan 0.000 0.534 197 A N -0.660 122.254 122.820 0.156 0.000 2.172 197 A HA 0.419 4.739 4.320 0.000 0.000 0.216 197 A C 1.547 179.178 177.584 0.078 0.000 1.154 197 A CA 2.061 54.126 52.037 0.047 0.000 0.701 197 A CB -0.195 18.749 19.000 -0.093 0.000 0.789 197 A HN 0.896 nan 8.150 nan 0.000 0.465 198 M N 0.001 119.651 119.600 0.082 0.000 3.053 198 M HA 0.228 4.708 4.480 0.000 0.000 0.293 198 M C -2.975 173.407 176.300 0.138 0.000 1.470 198 M CA -1.666 53.666 55.300 0.054 0.000 0.582 198 M CB 1.760 34.208 32.600 -0.253 0.000 1.435 198 M HN -0.129 nan 8.290 nan 0.000 0.451 199 P HA 0.266 nan 4.420 nan 0.000 0.269 199 P C -0.883 176.440 177.300 0.039 0.000 1.209 199 P CA 0.121 63.266 63.100 0.075 0.000 0.776 199 P CB 0.969 32.669 31.700 -0.001 0.000 0.876 200 I N 2.397 122.993 120.570 0.043 0.000 2.827 200 I HA 0.506 4.676 4.170 0.000 0.000 0.298 200 I C -1.842 174.349 176.117 0.123 0.000 1.235 200 I CA -1.088 60.214 61.300 0.004 0.000 1.021 200 I CB 1.702 39.659 38.000 -0.072 0.000 1.259 200 I HN 0.229 nan 8.210 nan 0.000 0.427 201 Y N 5.392 125.668 120.300 -0.039 0.000 2.425 201 Y HA 0.753 5.303 4.550 0.000 0.000 0.344 201 Y C -0.053 175.829 175.900 -0.030 0.000 0.969 201 Y CA -0.811 57.280 58.100 -0.014 0.000 1.052 201 Y CB 2.037 40.474 38.460 -0.038 0.000 1.215 201 Y HN 0.578 nan 8.280 nan 0.000 0.451 202 G N 5.389 113.794 108.800 -0.659 0.000 2.380 202 G HA2 0.411 4.371 3.960 0.000 0.000 0.262 202 G HA3 0.411 4.371 3.960 0.000 0.000 0.262 202 G C -0.617 173.849 174.900 -0.723 0.000 1.243 202 G CA -0.412 44.354 45.100 -0.558 0.000 0.865 202 G HN 0.626 nan 8.290 nan 0.000 0.513 203 E N 0.496 120.492 120.200 -0.341 0.000 2.390 203 E HA 0.552 4.902 4.350 0.000 0.000 0.249 203 E C 0.377 176.871 176.600 -0.175 0.000 0.981 203 E CA -0.906 55.386 56.400 -0.180 0.000 0.860 203 E CB 1.527 31.240 29.700 0.022 0.000 1.278 203 E HN 0.558 nan 8.360 nan 0.000 0.416 204 A N -0.196 122.552 122.820 -0.120 0.000 2.524 204 A HA 0.407 4.727 4.320 0.000 0.000 0.250 204 A C 1.089 178.537 177.584 -0.228 0.000 1.078 204 A CA 1.131 53.085 52.037 -0.138 0.000 0.761 204 A CB -0.751 18.187 19.000 -0.104 0.000 1.012 204 A HN 0.740 nan 8.150 nan 0.000 0.500 205 G N 1.697 110.378 108.800 -0.198 0.000 2.232 205 G HA2 -0.200 3.760 3.960 0.000 0.000 0.226 205 G HA3 -0.200 3.760 3.960 0.000 0.000 0.226 205 G C 0.461 175.301 174.900 -0.100 0.000 0.996 205 G CA 0.482 45.415 45.100 -0.280 0.000 0.626 205 G HN 0.692 nan 8.290 nan 0.000 0.509 206 D N 1.101 121.419 120.400 -0.136 0.000 2.340 206 D HA 0.176 4.816 4.640 0.000 0.000 0.220 206 D C 1.024 177.257 176.300 -0.112 0.000 1.039 206 D CA 0.518 54.444 54.000 -0.123 0.000 0.866 206 D CB 0.250 40.946 40.800 -0.174 0.000 0.913 206 D HN 0.337 nan 8.370 nan 0.000 0.523 207 S N -0.493 115.154 115.700 -0.088 0.000 2.537 207 S HA 0.303 4.773 4.470 0.000 0.000 0.286 207 S C 1.514 176.027 174.600 -0.145 0.000 1.299 207 S CA 0.632 58.771 58.200 -0.102 0.000 1.067 207 S CB 1.194 64.392 63.200 -0.002 0.000 0.864 207 S HN 0.476 nan 8.310 nan 0.000 0.494 208 G N 2.499 111.207 108.800 -0.154 0.000 2.284 208 G HA2 -0.317 3.643 3.960 0.000 0.000 0.247 208 G HA3 -0.317 3.643 3.960 0.000 0.000 0.247 208 G C 0.329 175.207 174.900 -0.037 0.000 1.012 208 G CA 0.176 45.203 45.100 -0.123 0.000 0.618 208 G HN 1.308 nan 8.290 nan 0.000 0.521 209 S N 2.364 118.050 115.700 -0.023 0.000 2.560 209 S HA 0.517 4.987 4.470 0.000 0.000 0.284 209 S C -1.628 173.043 174.600 0.119 0.000 1.327 209 S CA -0.243 57.976 58.200 0.032 0.000 1.055 209 S CB 1.577 64.791 63.200 0.024 0.000 0.868 209 S HN 0.521 nan 8.310 nan 0.000 0.506 210 P HA 0.251 nan 4.420 nan 0.000 0.271 210 P C -0.942 176.394 177.300 0.060 0.000 1.218 210 P CA -0.547 62.565 63.100 0.021 0.000 0.780 210 P CB 0.628 32.334 31.700 0.011 0.000 0.901 211 L N 4.022 125.175 121.223 -0.115 0.000 2.325 211 L HA 0.539 4.879 4.340 0.000 0.000 0.281 211 L C -1.152 175.597 176.870 -0.203 0.000 1.004 211 L CA -0.487 54.260 54.840 -0.157 0.000 0.823 211 L CB 0.476 42.152 42.059 -0.637 0.000 1.236 211 L HN 0.140 nan 8.230 nan 0.000 0.415 212 F N 3.683 123.770 119.950 0.228 0.000 2.507 212 F HA 0.855 5.382 4.527 0.000 0.000 0.327 212 F C 0.372 176.391 175.800 0.365 0.000 1.068 212 F CA -0.309 57.892 58.000 0.336 0.000 0.965 212 F CB 2.077 41.350 39.000 0.455 0.000 1.192 212 F HN 0.596 nan 8.300 nan 0.000 0.476 213 A N 2.001 125.074 122.820 0.422 0.000 2.475 213 A HA 0.644 4.964 4.320 0.000 0.000 0.301 213 A C -1.858 175.575 177.584 -0.252 0.000 1.059 213 A CA -0.584 51.381 52.037 -0.121 0.000 0.710 213 A CB 0.836 19.517 19.000 -0.531 0.000 1.288 213 A HN 0.604 nan 8.150 nan 0.000 0.408 214 F N 2.303 121.628 119.950 -1.041 0.000 2.444 214 F HA 0.350 4.877 4.527 0.000 0.000 0.360 214 F C 0.136 175.661 175.800 -0.458 0.000 1.106 214 F CA -0.243 57.074 58.000 -1.139 0.000 1.170 214 F CB 0.638 38.761 39.000 -1.462 0.000 1.113 214 F HN 0.556 nan 8.300 nan 0.000 0.521 215 D N 4.320 124.233 120.400 -0.811 0.000 2.347 215 D HA 0.061 4.701 4.640 0.000 0.000 0.235 215 D C 1.162 176.936 176.300 -0.877 0.000 1.149 215 D CA -0.002 53.622 54.000 -0.626 0.000 0.850 215 D CB 1.291 41.913 40.800 -0.296 0.000 1.061 215 D HN 0.682 nan 8.370 nan 0.000 0.487 216 T N 0.293 114.485 114.554 -0.604 0.000 3.055 216 T HA -0.061 4.289 4.350 0.000 0.000 0.265 216 T C 1.910 176.438 174.700 -0.285 0.000 1.111 216 T CA 0.566 62.448 62.100 -0.364 0.000 1.118 216 T CB -0.118 68.667 68.868 -0.139 0.000 0.909 216 T HN 0.175 nan 8.240 nan 0.000 0.501 217 V N 2.155 121.881 119.914 -0.314 0.000 2.261 217 V HA -0.178 3.942 4.120 0.000 0.000 0.246 217 V C 2.744 178.723 176.094 -0.193 0.000 1.047 217 V CA 1.956 64.124 62.300 -0.220 0.000 1.015 217 V CB -0.722 30.977 31.823 -0.208 0.000 0.642 217 V HN 0.560 nan 8.190 nan 0.000 0.446 218 Q N -0.331 119.326 119.800 -0.237 0.000 2.403 218 Q HA 0.072 4.412 4.340 0.000 0.000 0.203 218 Q C 0.826 176.700 176.000 -0.210 0.000 0.932 218 Q CA 0.194 55.887 55.803 -0.183 0.000 0.945 218 Q CB -0.185 28.460 28.738 -0.156 0.000 1.045 218 Q HN 0.753 nan 8.270 nan 0.000 0.511 219 N N 1.627 120.138 118.700 -0.314 0.000 2.710 219 N HA -0.180 4.560 4.740 0.000 0.000 0.249 219 N C -1.009 174.308 175.510 -0.322 0.000 1.059 219 N CA 0.695 53.577 53.050 -0.280 0.000 0.720 219 N CB -0.335 38.135 38.487 -0.028 0.000 0.983 219 N HN 0.336 nan 8.380 nan 0.000 0.544 220 K N -0.809 119.216 120.400 -0.624 0.000 2.509 220 K HA 0.285 4.605 4.320 0.000 0.000 0.266 220 K C -0.924 175.418 176.600 -0.430 0.000 0.987 220 K CA -0.834 55.269 56.287 -0.307 0.000 0.868 220 K CB 0.741 33.218 32.500 -0.040 0.000 1.421 220 K HN 0.035 nan 8.250 nan 0.000 0.444 221 W N 1.045 122.349 121.300 0.006 0.000 2.170 221 W HA 0.427 5.087 4.660 -0.000 0.000 0.336 221 W C -0.095 176.506 176.519 0.135 0.000 1.283 221 W CA -0.027 57.381 57.345 0.106 0.000 1.224 221 W CB 1.144 30.687 29.460 0.138 0.000 1.132 221 W HN 0.201 nan 8.180 nan 0.000 0.571 222 V N 3.815 124.028 119.914 0.497 0.000 2.932 222 V HA 0.296 4.416 4.120 0.000 0.000 0.307 222 V C -1.219 175.080 176.094 0.341 0.000 1.147 222 V CA -1.314 61.185 62.300 0.331 0.000 0.951 222 V CB 2.162 34.091 31.823 0.177 0.000 1.031 222 V HN 0.303 nan 8.190 nan 0.000 0.426 223 L N 5.750 127.063 121.223 0.150 0.000 2.283 223 L HA 0.412 4.752 4.340 0.000 0.000 0.287 223 L C 0.869 177.649 176.870 -0.152 0.000 1.073 223 L CA 0.746 55.464 54.840 -0.204 0.000 0.822 223 L CB 1.493 43.397 42.059 -0.258 0.000 1.186 223 L HN 0.616 nan 8.230 nan 0.000 0.436 224 V N 4.921 124.695 119.914 -0.233 0.000 2.446 224 V HA 0.543 4.663 4.120 0.000 0.000 0.244 224 V C 0.791 176.705 176.094 -0.300 0.000 1.039 224 V CA 1.411 63.508 62.300 -0.340 0.000 1.045 224 V CB -0.128 31.295 31.823 -0.667 0.000 0.681 224 V HN 0.877 nan 8.190 nan 0.000 0.459 225 G N -0.795 107.863 108.800 -0.236 0.000 2.550 225 G HA2 0.536 4.496 3.960 0.000 0.000 0.293 225 G HA3 0.536 4.496 3.960 0.000 0.000 0.293 225 G C -1.432 173.519 174.900 0.086 0.000 1.402 225 G CA 0.053 45.110 45.100 -0.072 0.000 0.784 225 G HN 1.142 nan 8.290 nan 0.000 0.482 226 V N -1.811 118.253 119.914 0.250 0.000 2.735 226 V HA 0.797 4.917 4.120 0.000 0.000 0.310 226 V C -0.037 176.213 176.094 0.261 0.000 1.061 226 V CA -1.135 61.335 62.300 0.284 0.000 0.913 226 V CB 1.520 33.456 31.823 0.188 0.000 1.005 226 V HN 0.945 nan 8.190 nan 0.000 0.428 227 L N 4.490 125.777 121.223 0.107 0.000 2.477 227 L HA 0.309 4.649 4.340 0.000 0.000 0.272 227 L C 1.564 178.291 176.870 -0.239 0.000 1.157 227 L CA 0.958 55.559 54.840 -0.398 0.000 0.889 227 L CB 1.420 43.206 42.059 -0.456 0.000 1.158 227 L HN 1.103 nan 8.230 nan 0.000 0.473 228 T N 1.375 115.783 114.554 -0.243 0.000 3.033 228 T HA 0.547 4.897 4.350 0.000 0.000 0.248 228 T C 0.486 175.154 174.700 -0.054 0.000 1.040 228 T CA 0.289 62.357 62.100 -0.054 0.000 1.133 228 T CB 0.314 69.177 68.868 -0.007 0.000 0.895 228 T HN 0.649 nan 8.240 nan 0.000 0.465 229 A N -0.452 122.243 122.820 -0.208 0.000 2.586 229 A HA 0.820 5.140 4.320 0.000 0.000 0.290 229 A C -0.437 176.977 177.584 -0.283 0.000 1.086 229 A CA -0.425 51.496 52.037 -0.193 0.000 0.665 229 A CB 0.979 19.907 19.000 -0.120 0.000 1.279 229 A HN 0.720 nan 8.150 nan 0.000 0.423 230 G N -1.039 107.633 108.800 -0.213 0.000 2.866 230 G HA2 0.526 4.486 3.960 0.000 0.000 0.289 230 G HA3 0.526 4.486 3.960 0.000 0.000 0.289 230 G C -0.930 173.956 174.900 -0.024 0.000 1.396 230 G CA -0.666 44.337 45.100 -0.163 0.000 0.848 230 G HN 0.691 nan 8.290 nan 0.000 0.515 231 N N 0.655 119.420 118.700 0.108 0.000 3.052 231 N HA 0.431 5.171 4.740 0.000 0.000 0.302 231 N C 0.827 176.375 175.510 0.063 0.000 1.332 231 N CA 0.419 53.504 53.050 0.059 0.000 1.129 231 N CB 0.615 39.125 38.487 0.038 0.000 1.436 231 N HN 1.084 nan 8.380 nan 0.000 0.536 232 G N 0.790 109.616 108.800 0.045 0.000 2.801 232 G HA2 -0.246 3.714 3.960 0.000 0.000 0.244 232 G HA3 -0.246 3.714 3.960 0.000 0.000 0.244 232 G C -0.020 174.926 174.900 0.076 0.000 1.385 232 G CA -0.508 44.606 45.100 0.025 0.000 0.894 232 G HN 0.547 nan 8.290 nan 0.000 0.562 233 A N -0.042 122.775 122.820 -0.004 0.000 2.545 233 A HA 0.612 4.932 4.320 0.000 0.000 0.253 233 A C 2.063 179.531 177.584 -0.194 0.000 1.074 233 A CA 1.914 53.894 52.037 -0.096 0.000 0.760 233 A CB -0.563 18.298 19.000 -0.232 0.000 1.005 233 A HN 2.912 nan 8.150 nan 0.000 0.506 234 G N 2.165 110.827 108.800 -0.230 0.000 2.168 234 G HA2 -0.031 3.929 3.960 0.000 0.000 0.257 234 G HA3 -0.031 3.929 3.960 0.000 0.000 0.257 234 G C 0.960 175.580 174.900 -0.468 0.000 0.997 234 G CA 0.807 45.676 45.100 -0.384 0.000 0.708 234 G HN 1.858 nan 8.290 nan 0.000 0.520 235 G N -1.127 107.394 108.800 -0.465 0.000 2.590 235 G HA2 0.368 4.328 3.960 0.000 0.000 0.276 235 G HA3 0.368 4.328 3.960 0.000 0.000 0.276 235 G C 0.963 175.561 174.900 -0.503 0.000 1.337 235 G CA 0.488 45.394 45.100 -0.324 0.000 1.030 235 G HN 0.458 nan 8.290 nan 0.000 0.534 236 R N -1.225 119.156 120.500 -0.198 0.000 2.112 236 R HA 0.232 4.572 4.340 0.000 0.000 0.216 236 R C 1.007 177.307 176.300 0.001 0.000 1.080 236 R CA 1.030 57.055 56.100 -0.125 0.000 0.996 236 R CB -0.020 30.246 30.300 -0.057 0.000 0.902 236 R HN 0.651 nan 8.270 nan 0.000 0.449 237 G N -0.833 108.072 108.800 0.176 0.000 2.559 237 G HA2 0.301 4.261 3.960 0.000 0.000 0.291 237 G HA3 0.301 4.261 3.960 0.000 0.000 0.291 237 G C -1.838 173.176 174.900 0.190 0.000 1.424 237 G CA -0.840 44.413 45.100 0.254 0.000 0.786 237 G HN 0.211 nan 8.290 nan 0.000 0.485 238 N N -0.027 118.680 118.700 0.010 0.000 2.362 238 N HA 0.542 5.282 4.740 0.000 0.000 0.299 238 N C -0.909 174.398 175.510 -0.339 0.000 1.170 238 N CA -0.978 51.846 53.050 -0.375 0.000 0.825 238 N CB 1.565 39.517 38.487 -0.891 0.000 1.299 238 N HN 0.430 nan 8.380 nan 0.000 0.502 239 N N 0.308 118.769 118.700 -0.399 0.000 2.370 239 N HA 0.405 5.145 4.740 0.000 0.000 0.303 239 N C -1.136 174.158 175.510 -0.360 0.000 1.103 239 N CA -0.347 52.621 53.050 -0.135 0.000 0.848 239 N CB 1.553 40.090 38.487 0.083 0.000 1.235 239 N HN 0.401 nan 8.380 nan 0.000 0.496 240 W N -0.106 121.184 121.300 -0.017 0.000 2.819 240 W HA 0.527 5.187 4.660 -0.000 0.000 0.337 240 W C -0.440 176.027 176.519 -0.087 0.000 1.077 240 W CA -0.949 56.363 57.345 -0.055 0.000 1.226 240 W CB 1.932 31.337 29.460 -0.092 0.000 1.419 240 W HN 0.403 nan 8.180 nan 0.000 0.502 241 A N 2.767 125.668 122.820 0.135 0.000 2.354 241 A HA 0.463 4.783 4.320 0.000 0.000 0.281 241 A C -0.061 177.519 177.584 -0.006 0.000 1.174 241 A CA -0.353 51.702 52.037 0.030 0.000 0.828 241 A CB 0.210 19.241 19.000 0.051 0.000 1.099 241 A HN 0.393 nan 8.150 nan 0.000 0.516 242 V N 4.140 123.992 119.914 -0.103 0.000 2.763 242 V HA -0.036 4.084 4.120 0.000 0.000 0.306 242 V C 0.786 176.733 176.094 -0.245 0.000 1.059 242 V CA -0.310 61.887 62.300 -0.172 0.000 1.138 242 V CB 0.191 31.928 31.823 -0.143 0.000 0.940 242 V HN 0.627 nan 8.190 nan 0.000 0.489 243 I N 6.417 126.848 120.570 -0.231 0.000 2.662 243 I HA 0.121 4.291 4.170 0.000 0.000 0.285 243 I C -1.906 174.013 176.117 -0.330 0.000 1.161 243 I CA -1.945 59.159 61.300 -0.328 0.000 1.415 243 I CB 0.154 38.081 38.000 -0.122 0.000 1.385 243 I HN 0.464 nan 8.210 nan 0.000 0.552 244 P HA 0.117 nan 4.420 nan 0.000 0.277 244 P C 0.710 177.932 177.300 -0.130 0.000 1.354 244 P CA -0.483 62.449 63.100 -0.280 0.000 0.891 244 P CB 1.061 32.558 31.700 -0.338 0.000 1.058 245 L N 2.761 123.933 121.223 -0.085 0.000 2.012 245 L HA -0.174 4.166 4.340 0.000 0.000 0.210 245 L C 1.888 178.719 176.870 -0.064 0.000 1.073 245 L CA 1.992 56.798 54.840 -0.056 0.000 0.748 245 L CB -1.343 40.702 42.059 -0.025 0.000 0.891 245 L HN 0.257 nan 8.230 nan 0.000 0.431 246 D N -1.504 118.875 120.400 -0.036 0.000 2.144 246 D HA -0.209 4.431 4.640 0.000 0.000 0.200 246 D C 2.129 178.403 176.300 -0.043 0.000 0.978 246 D CA 0.943 54.922 54.000 -0.035 0.000 0.833 246 D CB -0.159 40.637 40.800 -0.007 0.000 0.961 246 D HN 0.295 nan 8.370 nan 0.000 0.470 247 F N 1.005 120.865 119.950 -0.149 0.000 2.084 247 F HA -0.118 4.409 4.527 -0.000 0.000 0.296 247 F C 2.230 177.898 175.800 -0.220 0.000 1.111 247 F CA 0.966 58.884 58.000 -0.138 0.000 1.224 247 F CB -0.260 38.680 39.000 -0.100 0.000 0.991 247 F HN -0.185 nan 8.300 nan 0.000 0.471 248 I N 0.793 121.211 120.570 -0.254 0.000 2.118 248 I HA -0.315 3.855 4.170 0.000 0.000 0.241 248 I C 2.791 178.256 176.117 -1.087 0.000 1.070 248 I CA 1.974 62.900 61.300 -0.622 0.000 1.327 248 I CB -1.205 36.621 38.000 -0.290 0.000 1.034 248 I HN 0.360 nan 8.210 nan 0.000 0.405 249 G N -0.720 107.717 108.800 -0.605 0.000 2.556 249 G HA2 -0.345 3.615 3.960 0.000 0.000 0.220 249 G HA3 -0.345 3.615 3.960 0.000 0.000 0.220 249 G C 1.549 176.212 174.900 -0.395 0.000 1.156 249 G CA 1.021 45.877 45.100 -0.406 0.000 0.766 249 G HN 0.448 nan 8.290 nan 0.000 0.583 250 Q N -0.343 119.220 119.800 -0.395 0.000 2.084 250 Q HA -0.066 4.274 4.340 0.000 0.000 0.202 250 Q C 2.702 178.481 176.000 -0.369 0.000 0.978 250 Q CA 1.110 56.724 55.803 -0.316 0.000 0.844 250 Q CB -0.061 28.493 28.738 -0.307 0.000 0.898 250 Q HN 0.235 nan 8.270 nan 0.000 0.426 251 K N 0.186 120.220 120.400 -0.610 0.000 2.097 251 K HA -0.082 4.238 4.320 0.000 0.000 0.205 251 K C 1.818 178.252 176.600 -0.276 0.000 1.050 251 K CA 1.183 57.174 56.287 -0.495 0.000 0.938 251 K CB -0.258 31.859 32.500 -0.638 0.000 0.718 251 K HN 0.294 nan 8.250 nan 0.000 0.442 252 F N 1.363 121.052 119.950 -0.434 0.000 2.128 252 F HA -0.106 4.421 4.527 0.000 0.000 0.295 252 F C 2.269 177.971 175.800 -0.164 0.000 1.100 252 F CA 0.376 58.129 58.000 -0.412 0.000 1.260 252 F CB -0.286 38.492 39.000 -0.370 0.000 1.009 252 F HN 0.139 nan 8.300 nan 0.000 0.476 253 N N 0.740 119.464 118.700 0.040 0.000 2.104 253 N HA -0.231 4.509 4.740 0.000 0.000 0.190 253 N C 1.817 177.331 175.510 0.007 0.000 1.024 253 N CA 1.679 54.736 53.050 0.012 0.000 0.853 253 N CB -0.379 38.092 38.487 -0.028 0.000 1.008 253 N HN 0.482 nan 8.380 nan 0.000 0.424 254 E N 0.634 120.824 120.200 -0.017 0.000 2.338 254 E HA -0.158 4.192 4.350 0.000 0.000 0.197 254 E C 0.359 176.972 176.600 0.022 0.000 1.007 254 E CA 1.046 57.438 56.400 -0.012 0.000 0.849 254 E CB 0.045 29.721 29.700 -0.040 0.000 0.774 254 E HN 0.208 nan 8.360 nan 0.000 0.506 255 D N 0.631 121.071 120.400 0.067 0.000 2.354 255 D HA 0.046 4.686 4.640 0.000 0.000 0.209 255 D C -0.226 176.119 176.300 0.076 0.000 1.015 255 D CA 0.152 54.211 54.000 0.098 0.000 0.867 255 D CB 0.045 40.967 40.800 0.202 0.000 0.933 255 D HN 0.089 nan 8.370 nan 0.000 0.520 256 N N 1.852 120.582 118.700 0.050 0.000 2.434 256 N HA 0.072 4.812 4.740 0.000 0.000 0.272 256 N C -0.065 175.457 175.510 0.019 0.000 1.040 256 N CA -0.109 52.952 53.050 0.019 0.000 0.956 256 N CB 1.360 39.844 38.487 -0.006 0.000 1.108 256 N HN -0.051 nan 8.380 nan 0.000 0.481 257 D N 0.462 120.874 120.400 0.020 0.000 2.360 257 D HA 0.187 4.827 4.640 0.000 0.000 0.242 257 D C 0.222 176.512 176.300 -0.017 0.000 1.184 257 D CA -0.164 53.860 54.000 0.040 0.000 0.930 257 D CB 0.936 41.777 40.800 0.068 0.000 1.161 257 D HN 0.501 nan 8.370 nan 0.000 0.447 258 A N 1.974 124.804 122.820 0.018 0.000 2.498 258 A HA 0.253 4.573 4.320 0.000 0.000 0.239 258 A C -1.987 175.558 177.584 -0.064 0.000 1.068 258 A CA -0.807 51.236 52.037 0.010 0.000 0.766 258 A CB -0.389 18.655 19.000 0.073 0.000 1.003 258 A HN 0.329 nan 8.150 nan 0.000 0.497 259 P HA 0.167 nan 4.420 nan 0.000 0.266 259 P C -0.251 176.854 177.300 -0.325 0.000 1.195 259 P CA 0.098 63.073 63.100 -0.208 0.000 0.768 259 P CB 0.800 32.426 31.700 -0.124 0.000 0.838 260 V N 2.506 122.081 119.914 -0.565 0.000 2.427 260 V HA 0.482 4.602 4.120 0.000 0.000 0.286 260 V C -0.572 175.308 176.094 -0.357 0.000 1.034 260 V CA -0.010 61.763 62.300 -0.879 0.000 0.893 260 V CB 1.404 32.565 31.823 -1.105 0.000 0.982 260 V HN 0.553 nan 8.190 nan 0.000 0.452 261 T N 7.894 122.280 114.554 -0.281 0.000 2.786 261 T HA 0.429 4.779 4.350 0.000 0.000 0.283 261 T C -0.764 174.075 174.700 0.232 0.000 0.992 261 T CA -0.011 62.150 62.100 0.102 0.000 0.954 261 T CB 0.925 69.878 68.868 0.140 0.000 0.934 261 T HN 0.659 nan 8.240 nan 0.000 0.440 262 F N 3.408 123.453 119.950 0.158 0.000 2.410 262 F HA 0.465 4.992 4.527 0.000 0.000 0.348 262 F C 0.613 176.444 175.800 0.053 0.000 1.106 262 F CA -0.771 57.284 58.000 0.091 0.000 1.163 262 F CB 0.580 39.542 39.000 -0.062 0.000 1.129 262 F HN 0.370 nan 8.300 nan 0.000 0.516 263 R N 4.608 124.717 120.500 -0.653 0.000 2.204 263 R HA 0.175 4.515 4.340 0.000 0.000 0.341 263 R C 1.070 176.943 176.300 -0.712 0.000 1.035 263 R CA -0.137 55.678 56.100 -0.474 0.000 0.887 263 R CB 1.018 31.150 30.300 -0.281 0.000 1.114 263 R HN 0.804 nan 8.270 nan 0.000 0.473 264 T N 0.233 114.613 114.554 -0.290 0.000 2.684 264 T HA -0.232 4.118 4.350 0.000 0.000 0.267 264 T C 2.038 176.679 174.700 -0.099 0.000 1.036 264 T CA 2.088 64.145 62.100 -0.072 0.000 1.148 264 T CB -0.118 68.796 68.868 0.076 0.000 0.863 264 T HN 0.681 nan 8.240 nan 0.000 0.436 265 S N 1.971 117.614 115.700 -0.096 0.000 2.402 265 S HA -0.228 4.242 4.470 0.000 0.000 0.233 265 S C 1.853 176.402 174.600 -0.086 0.000 1.030 265 S CA 1.457 59.616 58.200 -0.068 0.000 1.003 265 S CB -0.546 62.621 63.200 -0.054 0.000 0.813 265 S HN 0.624 nan 8.310 nan 0.000 0.477 266 E N 1.348 121.455 120.200 -0.156 0.000 2.208 266 E HA 0.257 4.607 4.350 0.000 0.000 0.193 266 E C 1.469 178.015 176.600 -0.089 0.000 0.988 266 E CA 0.200 56.520 56.400 -0.133 0.000 0.828 266 E CB -0.531 29.064 29.700 -0.175 0.000 0.763 266 E HN 0.717 nan 8.360 nan 0.000 0.478 267 G N 0.486 109.235 108.800 -0.085 0.000 2.645 267 G HA2 -0.163 3.797 3.960 0.000 0.000 0.246 267 G HA3 -0.163 3.797 3.960 0.000 0.000 0.246 267 G C 0.578 175.532 174.900 0.090 0.000 1.322 267 G CA -0.343 44.789 45.100 0.053 0.000 0.898 267 G HN 0.817 nan 8.290 nan 0.000 0.573 268 G N -1.374 107.505 108.800 0.132 0.000 2.539 268 G HA2 0.417 4.377 3.960 0.000 0.000 0.256 268 G HA3 0.417 4.377 3.960 0.000 0.000 0.256 268 G C 0.464 175.528 174.900 0.274 0.000 1.233 268 G CA 1.847 47.034 45.100 0.145 0.000 0.936 268 G HN 3.052 nan 8.290 nan 0.000 0.571 269 A N -2.028 120.957 122.820 0.275 0.000 2.612 269 A HA 0.680 5.000 4.320 0.000 0.000 0.293 269 A C -0.802 176.968 177.584 0.309 0.000 1.075 269 A CA -0.463 51.766 52.037 0.319 0.000 0.680 269 A CB 1.495 20.576 19.000 0.136 0.000 1.279 269 A HN 1.560 nan 8.150 nan 0.000 0.411 270 L N 2.301 123.725 121.223 0.336 0.000 2.385 270 L HA 0.272 4.612 4.340 0.000 0.000 0.281 270 L C -0.024 176.980 176.870 0.223 0.000 1.106 270 L CA 0.606 55.616 54.840 0.284 0.000 0.856 270 L CB 0.017 42.258 42.059 0.303 0.000 1.186 270 L HN 0.588 nan 8.230 nan 0.000 0.453 271 E N 3.773 124.097 120.200 0.208 0.000 2.130 271 E HA 0.054 4.404 4.350 0.000 0.000 0.284 271 E C -0.753 176.018 176.600 0.285 0.000 1.018 271 E CA -0.268 56.260 56.400 0.214 0.000 0.817 271 E CB 1.253 31.050 29.700 0.162 0.000 1.078 271 E HN 0.342 nan 8.360 nan 0.000 0.396 272 W N 4.249 125.623 121.300 0.123 0.000 2.311 272 W HA 0.178 4.838 4.660 0.000 0.000 0.317 272 W C -0.320 176.289 176.519 0.151 0.000 1.065 272 W CA -1.129 56.306 57.345 0.150 0.000 1.364 272 W CB 0.385 29.929 29.460 0.140 0.000 1.233 272 W HN 0.271 nan 8.180 nan 0.000 0.409 273 S N 5.004 121.045 115.700 0.569 0.000 2.621 273 S HA 0.830 5.300 4.470 0.000 0.000 0.302 273 S C -1.259 173.630 174.600 0.480 0.000 1.093 273 S CA -0.654 57.775 58.200 0.380 0.000 1.017 273 S CB 2.716 66.056 63.200 0.233 0.000 1.077 273 S HN 0.408 nan 8.310 nan 0.000 0.517 274 F N 1.483 121.512 119.950 0.132 0.000 2.604 274 F HA 0.456 4.983 4.527 0.000 0.000 0.316 274 F C -1.189 174.647 175.800 0.059 0.000 1.136 274 F CA -0.666 57.397 58.000 0.106 0.000 0.989 274 F CB 1.607 40.625 39.000 0.030 0.000 1.258 274 F HN 0.691 nan 8.300 nan 0.000 0.451 275 N N 2.917 121.260 118.700 -0.595 0.000 2.462 275 N HA 0.120 4.860 4.740 0.000 0.000 0.242 275 N C 0.637 175.609 175.510 -0.896 0.000 1.010 275 N CA 0.360 53.100 53.050 -0.515 0.000 0.939 275 N CB 1.600 39.921 38.487 -0.277 0.000 1.127 275 N HN 0.714 nan 8.380 nan 0.000 0.509 276 S N 1.274 116.630 115.700 -0.574 0.000 2.447 276 S HA -0.137 4.333 4.470 0.000 0.000 0.233 276 S C 1.562 176.051 174.600 -0.185 0.000 1.006 276 S CA 1.089 59.091 58.200 -0.330 0.000 0.957 276 S CB -0.223 62.995 63.200 0.028 0.000 0.773 276 S HN 0.519 nan 8.310 nan 0.000 0.507 277 S N -0.490 115.107 115.700 -0.172 0.000 2.548 277 S HA 0.179 4.649 4.470 0.000 0.000 0.215 277 S C 1.292 175.836 174.600 -0.094 0.000 0.976 277 S CA 0.392 58.537 58.200 -0.093 0.000 0.908 277 S CB -0.176 62.986 63.200 -0.063 0.000 0.781 277 S HN 0.445 nan 8.310 nan 0.000 0.519 278 T N 0.131 114.590 114.554 -0.159 0.000 2.954 278 T HA 0.453 4.803 4.350 0.000 0.000 0.252 278 T C 1.298 175.944 174.700 -0.090 0.000 0.983 278 T CA 0.491 62.527 62.100 -0.107 0.000 0.941 278 T CB 0.209 69.014 68.868 -0.106 0.000 1.141 278 T HN 0.746 nan 8.240 nan 0.000 0.500 279 G N 1.891 110.563 108.800 -0.213 0.000 2.168 279 G HA2 -0.128 3.832 3.960 0.000 0.000 0.263 279 G HA3 -0.128 3.832 3.960 0.000 0.000 0.263 279 G C 0.173 175.124 174.900 0.086 0.000 0.977 279 G CA 0.143 45.225 45.100 -0.030 0.000 0.659 279 G HN 0.907 nan 8.290 nan 0.000 0.533 280 A N -0.169 122.591 122.820 -0.100 0.000 2.276 280 A HA 0.896 5.216 4.320 0.000 0.000 0.316 280 A C 0.659 178.272 177.584 0.049 0.000 1.229 280 A CA 0.668 52.714 52.037 0.015 0.000 0.851 280 A CB 1.348 20.350 19.000 0.003 0.000 1.165 280 A HN 1.738 nan 8.150 nan 0.000 0.513 281 G N -0.229 108.716 108.800 0.241 0.000 2.730 281 G HA2 0.846 4.806 3.960 0.000 0.000 0.289 281 G HA3 0.846 4.806 3.960 0.000 0.000 0.289 281 G C -0.844 174.207 174.900 0.253 0.000 1.341 281 G CA -0.114 45.233 45.100 0.411 0.000 0.932 281 G HN 1.724 nan 8.290 nan 0.000 0.481 282 A N -0.127 122.875 122.820 0.305 0.000 2.520 282 A HA 0.703 5.023 4.320 0.000 0.000 0.298 282 A C -1.411 176.275 177.584 0.170 0.000 1.051 282 A CA -0.491 51.650 52.037 0.172 0.000 0.690 282 A CB 1.525 20.602 19.000 0.127 0.000 1.281 282 A HN 0.614 nan 8.150 nan 0.000 0.402 283 L N 2.248 123.520 121.223 0.081 0.000 2.319 283 L HA 0.569 4.909 4.340 0.000 0.000 0.281 283 L C -0.492 176.499 176.870 0.202 0.000 1.005 283 L CA -0.141 54.752 54.840 0.088 0.000 0.828 283 L CB 1.186 43.223 42.059 -0.037 0.000 1.227 283 L HN 0.771 nan 8.230 nan 0.000 0.415 284 T N 3.085 117.747 114.554 0.180 0.000 2.809 284 T HA 0.353 4.703 4.350 0.000 0.000 0.284 284 T C -0.312 174.481 174.700 0.156 0.000 0.992 284 T CA -0.421 61.764 62.100 0.143 0.000 0.957 284 T CB 2.188 71.113 68.868 0.095 0.000 0.942 284 T HN 0.471 nan 8.240 nan 0.000 0.439 285 Q N 2.486 122.376 119.800 0.149 0.000 2.341 285 Q HA 0.516 4.856 4.340 0.000 0.000 0.268 285 Q C 0.894 176.915 176.000 0.034 0.000 1.013 285 Q CA 0.005 55.872 55.803 0.106 0.000 0.798 285 Q CB 0.962 29.765 28.738 0.109 0.000 1.253 285 Q HN 0.967 nan 8.270 nan 0.000 0.457 286 G N 2.353 111.166 108.800 0.021 0.000 2.634 286 G HA2 -0.404 3.556 3.960 0.000 0.000 0.318 286 G HA3 -0.404 3.556 3.960 0.000 0.000 0.318 286 G C 0.665 175.561 174.900 -0.008 0.000 1.207 286 G CA 0.719 45.818 45.100 -0.002 0.000 0.987 286 G HN 0.579 nan 8.290 nan 0.000 0.547 287 T N 0.847 115.385 114.554 -0.026 0.000 3.060 287 T HA 0.414 4.764 4.350 0.000 0.000 0.249 287 T C 1.078 175.740 174.700 -0.064 0.000 1.079 287 T CA 1.843 63.922 62.100 -0.035 0.000 1.013 287 T CB -0.355 68.492 68.868 -0.035 0.000 0.975 287 T HN 1.087 nan 8.240 nan 0.000 0.518 288 T N 0.722 115.227 114.554 -0.082 0.000 2.859 288 T HA 0.580 4.930 4.350 0.000 0.000 0.281 288 T C -0.404 174.175 174.700 -0.201 0.000 1.005 288 T CA -0.505 61.489 62.100 -0.178 0.000 1.025 288 T CB 1.676 70.394 68.868 -0.250 0.000 0.977 288 T HN 0.082 nan 8.240 nan 0.000 0.458 289 T N 3.334 117.711 114.554 -0.295 0.000 2.893 289 T HA 0.641 4.991 4.350 0.000 0.000 0.293 289 T C -1.781 172.731 174.700 -0.314 0.000 1.027 289 T CA -0.612 61.376 62.100 -0.186 0.000 0.988 289 T CB 0.943 69.781 68.868 -0.050 0.000 1.043 289 T HN 0.628 nan 8.240 nan 0.000 0.461 290 Y N 1.916 122.209 120.300 -0.012 0.000 2.364 290 Y HA 0.676 5.226 4.550 0.000 0.000 0.340 290 Y C 0.723 176.590 175.900 -0.056 0.000 0.975 290 Y CA -1.040 57.037 58.100 -0.038 0.000 1.089 290 Y CB 1.849 40.271 38.460 -0.064 0.000 1.192 290 Y HN 0.989 nan 8.280 nan 0.000 0.454 291 A N 5.019 127.891 122.820 0.087 0.000 2.445 291 A HA 0.553 4.873 4.320 0.000 0.000 0.242 291 A C -0.216 177.323 177.584 -0.074 0.000 1.075 291 A CA -0.202 51.824 52.037 -0.019 0.000 0.777 291 A CB 0.405 19.386 19.000 -0.032 0.000 1.013 291 A HN 0.757 nan 8.150 nan 0.000 0.493 292 M N 1.960 121.471 119.600 -0.148 0.000 2.446 292 M HA 0.488 4.968 4.480 0.000 0.000 0.294 292 M C -2.005 174.169 176.300 -0.209 0.000 1.158 292 M CA -0.365 54.900 55.300 -0.058 0.000 0.899 292 M CB 1.876 34.569 32.600 0.155 0.000 1.687 292 M HN 0.887 nan 8.290 nan 0.000 0.455 293 H N 1.605 120.825 119.070 0.250 0.000 2.589 293 H HA 0.748 5.304 4.556 -0.000 0.000 0.351 293 H C 0.085 175.587 175.328 0.289 0.000 1.074 293 H CA -0.324 55.882 56.048 0.264 0.000 1.203 293 H CB 2.013 31.873 29.762 0.163 0.000 1.558 293 H HN 0.898 nan 8.280 nan 0.000 0.522 294 G N 0.758 109.858 108.800 0.502 0.000 3.209 294 G HA2 0.302 4.262 3.960 0.000 0.000 0.236 294 G HA3 0.302 4.262 3.960 0.000 0.000 0.236 294 G C -0.889 174.195 174.900 0.306 0.000 1.329 294 G CA -1.033 44.265 45.100 0.331 0.000 1.015 294 G HN 0.707 nan 8.290 nan 0.000 0.571 295 Q N -0.614 119.321 119.800 0.224 0.000 2.340 295 Q HA 0.410 4.750 4.340 0.000 0.000 0.249 295 Q C -0.890 175.219 176.000 0.183 0.000 0.957 295 Q CA 0.082 55.976 55.803 0.152 0.000 0.882 295 Q CB 0.815 29.591 28.738 0.063 0.000 1.235 295 Q HN 0.413 nan 8.270 nan 0.000 0.439 296 Q N 1.753 121.617 119.800 0.107 0.000 2.333 296 Q HA 0.436 4.776 4.340 0.000 0.000 0.268 296 Q C 0.225 176.252 176.000 0.044 0.000 1.007 296 Q CA -0.211 55.635 55.803 0.072 0.000 0.810 296 Q CB 1.963 30.736 28.738 0.057 0.000 1.264 296 Q HN 1.067 nan 8.270 nan 0.000 0.452 297 G N 3.522 112.343 108.800 0.034 0.000 2.634 297 G HA2 -0.431 3.529 3.960 0.000 0.000 0.309 297 G HA3 -0.431 3.529 3.960 0.000 0.000 0.309 297 G C 0.204 175.114 174.900 0.018 0.000 1.265 297 G CA 0.798 45.910 45.100 0.020 0.000 0.998 297 G HN 0.823 nan 8.290 nan 0.000 0.551 298 N N 1.413 120.118 118.700 0.008 0.000 2.314 298 N HA 0.282 5.022 4.740 0.000 0.000 0.200 298 N C -0.204 175.306 175.510 -0.001 0.000 1.135 298 N CA 0.428 53.478 53.050 0.001 0.000 0.835 298 N CB 0.415 38.899 38.487 -0.005 0.000 0.989 298 N HN 0.477 nan 8.380 nan 0.000 0.478 299 D N 1.264 121.669 120.400 0.009 0.000 2.422 299 D HA 0.090 4.730 4.640 0.000 0.000 0.227 299 D C 1.004 177.311 176.300 0.013 0.000 1.190 299 D CA -0.175 53.830 54.000 0.009 0.000 0.905 299 D CB 0.445 41.255 40.800 0.017 0.000 1.034 299 D HN 0.108 nan 8.370 nan 0.000 0.507 300 L N 2.975 124.195 121.223 -0.005 0.000 2.201 300 L HA -0.115 4.225 4.340 0.000 0.000 0.212 300 L C 1.819 178.688 176.870 -0.001 0.000 1.105 300 L CA 0.586 55.418 54.840 -0.013 0.000 0.775 300 L CB -0.364 41.672 42.059 -0.038 0.000 0.913 300 L HN 0.354 nan 8.230 nan 0.000 0.440 301 N N 0.681 119.381 118.700 0.001 0.000 2.396 301 N HA -0.080 4.660 4.740 0.000 0.000 0.180 301 N C 1.655 177.180 175.510 0.024 0.000 1.028 301 N CA 0.970 54.023 53.050 0.005 0.000 0.893 301 N CB 0.109 38.595 38.487 -0.001 0.000 0.967 301 N HN 0.238 nan 8.380 nan 0.000 0.440 302 A N -0.521 122.322 122.820 0.038 0.000 2.209 302 A HA 0.243 4.563 4.320 0.000 0.000 0.212 302 A C 1.185 178.832 177.584 0.105 0.000 1.158 302 A CA 0.572 52.644 52.037 0.058 0.000 0.742 302 A CB -0.765 18.278 19.000 0.072 0.000 0.790 302 A HN 0.294 nan 8.150 nan 0.000 0.472 303 G N 0.201 109.062 108.800 0.101 0.000 2.390 303 G HA2 0.490 4.450 3.960 0.000 0.000 0.270 303 G HA3 0.490 4.450 3.960 0.000 0.000 0.270 303 G C -0.296 174.680 174.900 0.128 0.000 1.211 303 G CA -0.419 44.763 45.100 0.136 0.000 0.842 303 G HN 0.118 nan 8.290 nan 0.000 0.519 304 K N 1.368 121.879 120.400 0.184 0.000 2.281 304 K HA 0.333 4.653 4.320 0.000 0.000 0.242 304 K C -0.407 176.277 176.600 0.140 0.000 0.971 304 K CA -1.057 55.322 56.287 0.153 0.000 0.834 304 K CB 1.769 34.384 32.500 0.191 0.000 1.181 304 K HN 0.444 nan 8.250 nan 0.000 0.435 305 N N 1.385 120.136 118.700 0.085 0.000 2.530 305 N HA 0.275 5.015 4.740 0.000 0.000 0.273 305 N C -0.258 175.210 175.510 -0.069 0.000 1.173 305 N CA -0.166 52.902 53.050 0.030 0.000 0.967 305 N CB 0.631 39.125 38.487 0.011 0.000 1.109 305 N HN 0.311 nan 8.380 nan 0.000 0.453 306 L N 2.011 123.123 121.223 -0.184 0.000 2.334 306 L HA 0.573 4.913 4.340 0.000 0.000 0.276 306 L C -0.195 176.281 176.870 -0.656 0.000 1.014 306 L CA -0.738 53.797 54.840 -0.507 0.000 0.815 306 L CB 1.370 42.992 42.059 -0.729 0.000 1.268 306 L HN 0.315 nan 8.230 nan 0.000 0.428 307 I N 2.296 122.422 120.570 -0.740 0.000 2.436 307 I HA 0.379 4.549 4.170 0.000 0.000 0.289 307 I C -1.042 174.601 176.117 -0.789 0.000 1.010 307 I CA -0.228 60.703 61.300 -0.616 0.000 1.098 307 I CB 1.686 39.494 38.000 -0.321 0.000 1.266 307 I HN 0.305 nan 8.210 nan 0.000 0.434 308 F N 5.188 124.839 119.950 -0.498 0.000 2.458 308 F HA 0.510 5.037 4.527 0.000 0.000 0.336 308 F C 0.320 176.034 175.800 -0.144 0.000 1.114 308 F CA -0.488 57.236 58.000 -0.460 0.000 0.987 308 F CB 1.602 40.008 39.000 -0.990 0.000 1.130 308 F HN 0.442 nan 8.300 nan 0.000 0.458 309 Q N 1.924 121.878 119.800 0.257 0.000 2.668 309 Q HA 0.854 5.194 4.340 0.000 0.000 0.298 309 Q C -0.605 175.641 176.000 0.409 0.000 1.071 309 Q CA -1.431 54.556 55.803 0.306 0.000 0.789 309 Q CB 2.500 31.323 28.738 0.140 0.000 1.497 309 Q HN 0.971 nan 8.270 nan 0.000 0.460 310 G N 0.967 109.935 108.800 0.280 0.000 3.209 310 G HA2 -0.149 3.811 3.960 0.000 0.000 0.686 310 G HA3 -0.149 3.811 3.960 0.000 0.000 0.686 310 G C -1.009 173.996 174.900 0.174 0.000 1.065 310 G CA -0.598 44.641 45.100 0.232 0.000 0.812 310 G HN 0.558 nan 8.290 nan 0.000 0.573 311 Q N 0.667 120.543 119.800 0.127 0.000 2.392 311 Q HA 0.337 4.677 4.340 0.000 0.000 0.262 311 Q C 1.182 177.191 176.000 0.014 0.000 1.003 311 Q CA 0.652 56.493 55.803 0.064 0.000 0.888 311 Q CB 0.262 29.037 28.738 0.061 0.000 1.260 311 Q HN 0.836 nan 8.270 nan 0.000 0.435 312 N N -0.632 118.005 118.700 -0.105 0.000 2.735 312 N HA -0.190 4.550 4.740 0.000 0.000 0.248 312 N C -0.113 175.014 175.510 -0.638 0.000 1.083 312 N CA 0.135 53.054 53.050 -0.218 0.000 0.703 312 N CB -1.280 37.176 38.487 -0.052 0.000 1.005 312 N HN 0.740 nan 8.380 nan 0.000 0.550 313 G N -0.074 108.092 108.800 -1.056 0.000 2.474 313 G HA2 0.216 4.176 3.960 0.000 0.000 0.233 313 G HA3 0.216 4.176 3.960 0.000 0.000 0.233 313 G C -0.089 173.828 174.900 -1.637 0.000 1.278 313 G CA -0.000 43.807 45.100 -2.154 0.000 0.861 313 G HN 0.137 nan 8.290 nan 0.000 0.567 314 Q N 0.490 119.289 119.800 -1.669 0.000 2.337 314 Q HA 0.518 4.858 4.340 0.000 0.000 0.270 314 Q C -0.670 175.186 176.000 -0.240 0.000 1.043 314 Q CA -0.438 54.959 55.803 -0.675 0.000 0.794 314 Q CB 2.725 31.169 28.738 -0.490 0.000 1.281 314 Q HN 0.520 nan 8.270 nan 0.000 0.446 315 I N 1.707 122.237 120.570 -0.067 0.000 2.608 315 I HA 0.378 4.548 4.170 0.000 0.000 0.295 315 I C -0.567 175.569 176.117 0.033 0.000 1.049 315 I CA -0.737 60.590 61.300 0.045 0.000 1.063 315 I CB 2.337 40.361 38.000 0.040 0.000 1.248 315 I HN 0.486 nan 8.210 nan 0.000 0.424 316 N N 5.115 123.879 118.700 0.106 0.000 2.410 316 N HA 0.533 5.273 4.740 0.000 0.000 0.287 316 N C -1.717 173.881 175.510 0.147 0.000 1.044 316 N CA -0.472 52.622 53.050 0.073 0.000 0.881 316 N CB 1.202 39.723 38.487 0.057 0.000 1.405 316 N HN 0.361 nan 8.380 nan 0.000 0.490 317 L N 3.646 124.915 121.223 0.076 0.000 2.281 317 L HA 0.367 4.707 4.340 0.000 0.000 0.285 317 L C 1.333 178.225 176.870 0.035 0.000 1.074 317 L CA 0.250 55.123 54.840 0.056 0.000 0.817 317 L CB 1.188 43.181 42.059 -0.109 0.000 1.168 317 L HN 0.653 nan 8.230 nan 0.000 0.434 318 K N 0.975 121.424 120.400 0.081 0.000 2.352 318 K HA 0.191 4.511 4.320 0.000 0.000 0.194 318 K C -0.368 176.262 176.600 0.050 0.000 1.038 318 K CA 0.272 56.600 56.287 0.069 0.000 1.023 318 K CB 0.488 33.050 32.500 0.104 0.000 0.840 318 K HN 0.597 nan 8.250 nan 0.000 0.519 319 D N -0.120 120.306 120.400 0.043 0.000 2.601 319 D HA 0.171 4.811 4.640 0.000 0.000 0.230 319 D C -0.872 175.422 176.300 -0.010 0.000 1.106 319 D CA -0.397 53.632 54.000 0.048 0.000 0.873 319 D CB 2.148 43.022 40.800 0.124 0.000 1.515 319 D HN -0.226 nan 8.370 nan 0.000 0.468 320 S N 0.351 116.055 115.700 0.007 0.000 2.533 320 S HA 0.224 4.694 4.470 0.000 0.000 0.282 320 S C 0.162 174.720 174.600 -0.071 0.000 1.304 320 S CA -0.517 57.658 58.200 -0.042 0.000 1.063 320 S CB 0.640 63.833 63.200 -0.012 0.000 0.881 320 S HN 0.160 nan 8.310 nan 0.000 0.493 321 V N 3.711 123.450 119.914 -0.292 0.000 2.398 321 V HA 0.335 4.455 4.120 0.000 0.000 0.286 321 V C 0.017 175.709 176.094 -0.671 0.000 1.026 321 V CA -0.578 61.313 62.300 -0.682 0.000 0.868 321 V CB 1.706 33.027 31.823 -0.836 0.000 0.982 321 V HN 0.840 nan 8.190 nan 0.000 0.443 322 S N 3.499 118.756 115.700 -0.738 0.000 2.488 322 S HA 0.228 4.698 4.470 0.000 0.000 0.310 322 S C 0.708 175.006 174.600 -0.503 0.000 1.093 322 S CA -0.341 57.572 58.200 -0.479 0.000 1.129 322 S CB 1.079 64.201 63.200 -0.130 0.000 0.989 322 S HN 0.834 nan 8.310 nan 0.000 0.479 323 Q N 2.593 122.066 119.800 -0.545 0.000 2.472 323 Q HA 0.206 4.546 4.340 0.000 0.000 0.208 323 Q C 1.357 177.291 176.000 -0.110 0.000 0.958 323 Q CA 0.768 56.425 55.803 -0.243 0.000 0.932 323 Q CB -0.069 28.656 28.738 -0.021 0.000 1.007 323 Q HN 1.022 nan 8.270 nan 0.000 0.508 324 G N 0.187 108.889 108.800 -0.162 0.000 2.531 324 G HA2 -0.414 3.546 3.960 0.000 0.000 0.274 324 G HA3 -0.414 3.546 3.960 0.000 0.000 0.274 324 G C 0.491 175.340 174.900 -0.086 0.000 1.159 324 G CA 0.170 45.220 45.100 -0.085 0.000 0.969 324 G HN 0.662 nan 8.290 nan 0.000 0.554 325 A N 1.138 123.934 122.820 -0.041 0.000 2.278 325 A HA 0.600 4.920 4.320 0.000 0.000 0.212 325 A C 1.501 179.084 177.584 -0.003 0.000 1.213 325 A CA 1.563 53.573 52.037 -0.045 0.000 0.840 325 A CB -0.709 18.259 19.000 -0.054 0.000 0.866 325 A HN 2.161 nan 8.150 nan 0.000 0.489 326 G N 0.662 109.488 108.800 0.043 0.000 2.406 326 G HA2 0.418 4.378 3.960 0.000 0.000 0.251 326 G HA3 0.418 4.378 3.960 0.000 0.000 0.251 326 G C 0.318 175.324 174.900 0.178 0.000 1.271 326 G CA 0.548 45.717 45.100 0.114 0.000 0.859 326 G HN 0.597 nan 8.290 nan 0.000 0.540 327 S N 1.332 117.124 115.700 0.153 0.000 2.718 327 S HA 0.776 5.246 4.470 0.000 0.000 0.300 327 S C -0.388 174.298 174.600 0.143 0.000 1.117 327 S CA -0.943 57.365 58.200 0.181 0.000 1.002 327 S CB 1.607 64.850 63.200 0.072 0.000 1.092 327 S HN 0.480 nan 8.310 nan 0.000 0.542 328 L N 1.034 122.302 121.223 0.075 0.000 2.362 328 L HA 0.567 4.907 4.340 0.000 0.000 0.275 328 L C -0.585 176.160 176.870 -0.208 0.000 0.998 328 L CA -0.589 54.184 54.840 -0.112 0.000 0.820 328 L CB 2.290 44.283 42.059 -0.111 0.000 1.270 328 L HN 0.704 nan 8.230 nan 0.000 0.415 329 T N 2.226 116.563 114.554 -0.362 0.000 2.824 329 T HA 0.578 4.928 4.350 0.000 0.000 0.282 329 T C -0.738 173.690 174.700 -0.452 0.000 0.993 329 T CA -0.303 61.642 62.100 -0.258 0.000 0.967 329 T CB 0.894 69.663 68.868 -0.165 0.000 0.960 329 T HN 0.108 nan 8.240 nan 0.000 0.441 330 F N 2.307 122.255 119.950 -0.004 0.000 2.388 330 F HA 0.441 4.968 4.527 0.000 0.000 0.358 330 F C 1.571 177.384 175.800 0.022 0.000 1.122 330 F CA -0.888 57.109 58.000 -0.005 0.000 1.056 330 F CB 1.239 40.212 39.000 -0.045 0.000 1.155 330 F HN 0.411 nan 8.300 nan 0.000 0.461 331 R N 0.457 121.062 120.500 0.175 0.000 2.290 331 R HA 0.147 4.487 4.340 0.000 0.000 0.197 331 R C -0.310 176.101 176.300 0.185 0.000 0.913 331 R CA 0.355 56.537 56.100 0.137 0.000 1.040 331 R CB 0.260 30.607 30.300 0.080 0.000 0.992 331 R HN 0.548 nan 8.270 nan 0.000 0.500 332 D N -0.154 120.422 120.400 0.293 0.000 2.559 332 D HA 0.192 4.832 4.640 0.000 0.000 0.250 332 D C -1.007 175.495 176.300 0.338 0.000 1.135 332 D CA -0.707 53.464 54.000 0.284 0.000 0.955 332 D CB 1.440 42.423 40.800 0.305 0.000 1.442 332 D HN -0.155 nan 8.370 nan 0.000 0.471 333 N N 0.541 119.350 118.700 0.181 0.000 2.458 333 N HA 0.138 4.878 4.740 0.000 0.000 0.258 333 N C -0.893 174.669 175.510 0.086 0.000 1.219 333 N CA 0.740 53.849 53.050 0.098 0.000 0.902 333 N CB 0.231 38.724 38.487 0.009 0.000 1.076 333 N HN 0.315 nan 8.380 nan 0.000 0.455 334 Y N -0.613 119.587 120.300 -0.166 0.000 2.597 334 Y HA 0.347 4.897 4.550 -0.000 0.000 0.340 334 Y C -0.167 175.567 175.900 -0.277 0.000 1.097 334 Y CA -0.599 57.356 58.100 -0.242 0.000 1.037 334 Y CB 2.073 40.380 38.460 -0.255 0.000 1.305 334 Y HN 0.271 nan 8.280 nan 0.000 0.463 335 T N 2.456 116.928 114.554 -0.138 0.000 2.841 335 T HA 0.647 4.997 4.350 0.000 0.000 0.283 335 T C -1.443 173.172 174.700 -0.141 0.000 1.000 335 T CA -0.638 61.375 62.100 -0.145 0.000 0.977 335 T CB 1.209 69.980 68.868 -0.163 0.000 0.979 335 T HN 0.291 nan 8.240 nan 0.000 0.446 336 V N 3.882 123.684 119.914 -0.188 0.000 2.444 336 V HA 0.760 4.880 4.120 0.000 0.000 0.294 336 V C 0.268 176.151 176.094 -0.351 0.000 1.022 336 V CA -0.759 61.367 62.300 -0.290 0.000 0.850 336 V CB 1.501 33.018 31.823 -0.510 0.000 0.992 336 V HN 1.139 nan 8.190 nan 0.000 0.426 337 T N 0.332 114.736 114.554 -0.251 0.000 2.804 337 T HA 0.795 5.145 4.350 0.000 0.000 0.290 337 T C -0.525 174.075 174.700 -0.167 0.000 1.099 337 T CA -0.783 61.191 62.100 -0.211 0.000 1.011 337 T CB 2.284 71.073 68.868 -0.132 0.000 1.291 337 T HN 0.637 nan 8.240 nan 0.000 0.523 338 T N -0.818 113.656 114.554 -0.132 0.000 2.900 338 T HA 0.565 4.915 4.350 0.000 0.000 0.303 338 T C 0.076 174.741 174.700 -0.058 0.000 1.142 338 T CA -0.538 61.512 62.100 -0.084 0.000 1.007 338 T CB 1.606 70.415 68.868 -0.097 0.000 1.156 338 T HN 0.633 nan 8.240 nan 0.000 0.490 339 S N 2.795 118.476 115.700 -0.032 0.000 2.539 339 S HA 0.186 4.656 4.470 0.000 0.000 0.221 339 S C 1.083 175.671 174.600 -0.019 0.000 0.987 339 S CA -0.385 57.801 58.200 -0.023 0.000 0.929 339 S CB 0.036 63.230 63.200 -0.009 0.000 0.832 339 S HN 0.639 nan 8.310 nan 0.000 0.492 340 N N 0.757 119.444 118.700 -0.022 0.000 2.181 340 N HA 0.203 4.943 4.740 0.000 0.000 0.207 340 N C 1.115 176.613 175.510 -0.021 0.000 1.182 340 N CA 0.777 53.818 53.050 -0.015 0.000 0.893 340 N CB 0.795 39.276 38.487 -0.009 0.000 1.032 340 N HN 0.389 nan 8.380 nan 0.000 0.513 341 G N 0.031 108.811 108.800 -0.033 0.000 2.155 341 G HA2 -0.273 3.687 3.960 0.000 0.000 0.257 341 G HA3 -0.273 3.687 3.960 0.000 0.000 0.257 341 G C -0.044 174.835 174.900 -0.035 0.000 0.983 341 G CA 0.600 45.679 45.100 -0.034 0.000 0.676 341 G HN 0.310 nan 8.290 nan 0.000 0.528 342 S N 0.869 116.544 115.700 -0.043 0.000 2.562 342 S HA 0.548 5.018 4.470 0.000 0.000 0.281 342 S C 0.887 175.453 174.600 -0.057 0.000 1.333 342 S CA 0.564 58.736 58.200 -0.047 0.000 1.052 342 S CB 1.113 64.278 63.200 -0.059 0.000 0.884 342 S HN 1.093 nan 8.310 nan 0.000 0.506 343 T N 0.073 114.604 114.554 -0.037 0.000 2.938 343 T HA 0.701 5.051 4.350 0.000 0.000 0.285 343 T C -1.057 173.669 174.700 0.044 0.000 1.028 343 T CA -0.898 61.208 62.100 0.010 0.000 1.005 343 T CB 1.054 69.933 68.868 0.018 0.000 1.157 343 T HN 0.706 nan 8.240 nan 0.000 0.550 344 W N 1.340 122.612 121.300 -0.046 0.000 3.129 344 W HA 0.566 5.226 4.660 -0.000 0.000 0.333 344 W C -1.159 175.402 176.519 0.071 0.000 1.141 344 W CA -0.413 56.911 57.345 -0.035 0.000 1.224 344 W CB 1.904 31.426 29.460 0.103 0.000 1.393 344 W HN 1.151 nan 8.180 nan 0.000 0.499 345 T N 2.290 116.268 114.554 -0.959 0.000 2.903 345 T HA 0.934 5.284 4.350 0.000 0.000 0.299 345 T C -0.414 173.280 174.700 -1.676 0.000 1.093 345 T CA -0.138 61.365 62.100 -0.994 0.000 1.002 345 T CB 1.725 70.328 68.868 -0.442 0.000 1.127 345 T HN 1.252 nan 8.240 nan 0.000 0.488 346 G N -0.206 107.849 108.800 -1.242 0.000 2.428 346 G HA2 0.604 4.564 3.960 0.000 0.000 0.305 346 G HA3 0.604 4.564 3.960 0.000 0.000 0.305 346 G C 0.625 175.381 174.900 -0.240 0.000 1.260 346 G CA -0.063 44.607 45.100 -0.716 0.000 0.853 346 G HN 1.109 nan 8.290 nan 0.000 0.480 347 A N -1.467 121.337 122.820 -0.026 0.000 1.969 347 A HA 0.540 4.860 4.320 0.000 0.000 0.218 347 A C 1.598 179.199 177.584 0.028 0.000 1.169 347 A CA 2.408 54.424 52.037 -0.034 0.000 0.635 347 A CB -0.678 18.313 19.000 -0.015 0.000 0.810 347 A HN 2.636 nan 8.150 nan 0.000 0.445 348 G N -2.400 106.556 108.800 0.261 0.000 2.369 348 G HA2 0.340 4.300 3.960 0.000 0.000 0.295 348 G HA3 0.340 4.300 3.960 0.000 0.000 0.295 348 G C -1.250 173.773 174.900 0.204 0.000 1.298 348 G CA -0.484 44.774 45.100 0.262 0.000 0.940 348 G HN 0.410 nan 8.290 nan 0.000 0.536 349 I N -0.013 120.590 120.570 0.055 0.000 2.545 349 I HA 0.535 4.705 4.170 0.000 0.000 0.292 349 I C -0.258 175.867 176.117 0.013 0.000 1.040 349 I CA -1.204 60.078 61.300 -0.029 0.000 1.068 349 I CB 2.285 40.147 38.000 -0.231 0.000 1.251 349 I HN 0.326 nan 8.210 nan 0.000 0.424 350 V N 6.740 126.680 119.914 0.043 0.000 2.384 350 V HA 0.333 4.453 4.120 0.000 0.000 0.287 350 V C -0.135 176.023 176.094 0.108 0.000 1.020 350 V CA -0.697 61.628 62.300 0.042 0.000 0.850 350 V CB 1.744 33.574 31.823 0.010 0.000 0.987 350 V HN 0.384 nan 8.190 nan 0.000 0.436 351 V N 4.381 124.342 119.914 0.078 0.000 2.318 351 V HA 0.317 4.437 4.120 0.000 0.000 0.271 351 V C 0.079 176.215 176.094 0.070 0.000 1.030 351 V CA -0.729 61.631 62.300 0.100 0.000 0.844 351 V CB 1.052 32.893 31.823 0.031 0.000 1.015 351 V HN 0.802 nan 8.190 nan 0.000 0.460 352 D N 2.956 123.411 120.400 0.090 0.000 2.364 352 D HA -0.028 4.612 4.640 0.000 0.000 0.236 352 D C 0.688 177.015 176.300 0.046 0.000 1.221 352 D CA 0.233 54.268 54.000 0.058 0.000 0.891 352 D CB 0.390 41.227 40.800 0.061 0.000 1.190 352 D HN 0.572 nan 8.370 nan 0.000 0.449 353 N N 0.117 118.836 118.700 0.032 0.000 2.458 353 N HA 0.034 4.774 4.740 0.000 0.000 0.258 353 N C 0.981 176.509 175.510 0.030 0.000 1.219 353 N CA 0.980 54.044 53.050 0.025 0.000 0.902 353 N CB 0.489 38.987 38.487 0.019 0.000 1.076 353 N HN 0.586 nan 8.380 nan 0.000 0.455 354 G N 1.823 110.638 108.800 0.025 0.000 2.179 354 G HA2 -0.251 3.709 3.960 0.000 0.000 0.260 354 G HA3 -0.251 3.709 3.960 0.000 0.000 0.260 354 G C -0.040 174.880 174.900 0.032 0.000 0.977 354 G CA 0.425 45.540 45.100 0.026 0.000 0.641 354 G HN 0.550 nan 8.290 nan 0.000 0.533 355 V N 0.860 120.798 119.914 0.040 0.000 2.532 355 V HA 0.720 4.840 4.120 0.000 0.000 0.295 355 V C 0.349 176.456 176.094 0.021 0.000 1.041 355 V CA -0.145 62.186 62.300 0.051 0.000 0.926 355 V CB 1.893 33.773 31.823 0.094 0.000 0.992 355 V HN 0.314 nan 8.190 nan 0.000 0.457 356 S N 2.722 118.426 115.700 0.007 0.000 2.519 356 S HA 0.670 5.140 4.470 0.000 0.000 0.309 356 S C -0.669 173.890 174.600 -0.068 0.000 1.100 356 S CA -0.501 57.683 58.200 -0.027 0.000 1.059 356 S CB 1.739 64.926 63.200 -0.021 0.000 1.008 356 S HN 0.437 nan 8.310 nan 0.000 0.478 357 V N 3.999 123.837 119.914 -0.127 0.000 2.495 357 V HA 0.472 4.592 4.120 0.000 0.000 0.298 357 V C -0.195 175.830 176.094 -0.115 0.000 1.031 357 V CA -0.919 61.245 62.300 -0.227 0.000 0.871 357 V CB 1.822 33.313 31.823 -0.552 0.000 0.988 357 V HN 0.819 nan 8.190 nan 0.000 0.432 358 N N 4.438 123.087 118.700 -0.086 0.000 2.437 358 N HA 0.193 4.933 4.740 0.000 0.000 0.259 358 N C -1.301 174.219 175.510 0.017 0.000 0.983 358 N CA -0.434 52.602 53.050 -0.024 0.000 0.937 358 N CB 1.319 39.777 38.487 -0.048 0.000 1.122 358 N HN 0.845 nan 8.380 nan 0.000 0.499 359 W N 5.431 126.647 121.300 -0.141 0.000 2.362 359 W HA 0.288 4.948 4.660 -0.000 0.000 0.316 359 W C -0.659 175.811 176.519 -0.082 0.000 1.024 359 W CA -0.424 56.844 57.345 -0.129 0.000 1.270 359 W CB 0.951 30.344 29.460 -0.113 0.000 1.273 359 W HN 0.564 nan 8.180 nan 0.000 0.424 360 Q N 4.072 123.658 119.800 -0.357 0.000 2.165 360 Q HA 0.172 4.512 4.340 0.000 0.000 0.245 360 Q C -0.287 175.519 176.000 -0.324 0.000 0.841 360 Q CA -0.134 55.522 55.803 -0.245 0.000 1.078 360 Q CB 1.591 30.223 28.738 -0.178 0.000 1.169 360 Q HN 0.081 nan 8.270 nan 0.000 0.475 361 V N 1.633 121.214 119.914 -0.556 0.000 2.459 361 V HA 0.268 4.388 4.120 0.000 0.000 0.295 361 V C 0.026 176.067 176.094 -0.087 0.000 1.029 361 V CA -0.983 61.073 62.300 -0.408 0.000 0.874 361 V CB 1.681 33.102 31.823 -0.671 0.000 0.985 361 V HN 0.285 nan 8.190 nan 0.000 0.438 362 N N 2.245 120.934 118.700 -0.019 0.000 2.381 362 N HA 0.450 5.190 4.740 0.000 0.000 0.254 362 N C 0.459 176.068 175.510 0.166 0.000 1.264 362 N CA 0.330 53.412 53.050 0.052 0.000 0.942 362 N CB 1.357 39.837 38.487 -0.011 0.000 1.190 362 N HN 0.821 nan 8.380 nan 0.000 0.495 363 G N -0.956 107.949 108.800 0.176 0.000 2.849 363 G HA2 0.568 4.528 3.960 0.000 0.000 0.174 363 G HA3 0.568 4.528 3.960 0.000 0.000 0.174 363 G C -1.007 173.952 174.900 0.098 0.000 1.370 363 G CA -0.253 44.965 45.100 0.198 0.000 1.040 363 G HN 0.337 nan 8.290 nan 0.000 0.582 364 V N 0.277 120.239 119.914 0.081 0.000 2.760 364 V HA 0.358 4.478 4.120 0.000 0.000 0.309 364 V C 0.011 176.132 176.094 0.045 0.000 1.077 364 V CA -1.051 61.273 62.300 0.039 0.000 0.910 364 V CB 1.859 33.684 31.823 0.004 0.000 1.008 364 V HN 0.753 nan 8.190 nan 0.000 0.424 365 K N 2.430 122.850 120.400 0.034 0.000 2.530 365 K HA 0.203 4.523 4.320 0.000 0.000 0.280 365 K C 1.154 177.770 176.600 0.026 0.000 1.004 365 K CA 1.435 57.742 56.287 0.034 0.000 1.071 365 K CB 0.072 32.585 32.500 0.023 0.000 0.876 365 K HN 1.302 nan 8.250 nan 0.000 0.487 366 G N 2.802 111.621 108.800 0.031 0.000 2.176 366 G HA2 -0.239 3.721 3.960 0.000 0.000 0.253 366 G HA3 -0.239 3.721 3.960 0.000 0.000 0.253 366 G C -0.239 174.672 174.900 0.018 0.000 0.979 366 G CA 0.421 45.533 45.100 0.020 0.000 0.641 366 G HN 0.798 nan 8.290 nan 0.000 0.530 367 D N 0.165 120.585 120.400 0.033 0.000 2.457 367 D HA 0.472 5.112 4.640 0.000 0.000 0.240 367 D C -1.000 175.349 176.300 0.081 0.000 1.041 367 D CA -0.655 53.364 54.000 0.033 0.000 0.861 367 D CB 0.990 41.790 40.800 0.000 0.000 1.394 367 D HN 0.025 nan 8.370 nan 0.000 0.473 368 N N 2.638 121.397 118.700 0.098 0.000 2.372 368 N HA 0.270 5.010 4.740 0.000 0.000 0.291 368 N C -0.274 175.371 175.510 0.225 0.000 1.024 368 N CA -0.512 52.621 53.050 0.138 0.000 0.873 368 N CB 2.231 40.780 38.487 0.103 0.000 1.206 368 N HN 0.472 nan 8.380 nan 0.000 0.486 369 L N 2.644 123.981 121.223 0.190 0.000 2.410 369 L HA 0.129 4.469 4.340 0.000 0.000 0.273 369 L C 0.033 177.016 176.870 0.187 0.000 1.152 369 L CA 0.017 54.986 54.840 0.215 0.000 0.855 369 L CB 0.215 42.382 42.059 0.181 0.000 1.129 369 L HN 0.416 nan 8.230 nan 0.000 0.463 370 H N 5.089 124.171 119.070 0.020 0.000 2.459 370 H HA 0.303 4.859 4.556 0.000 0.000 0.332 370 H C -0.608 174.703 175.328 -0.027 0.000 1.094 370 H CA -0.908 55.139 56.048 -0.003 0.000 1.224 370 H CB 1.999 31.794 29.762 0.055 0.000 1.449 370 H HN 0.287 nan 8.280 nan 0.000 0.484 371 K N 5.536 125.940 120.400 0.006 0.000 2.463 371 K HA 0.299 4.619 4.320 0.000 0.000 0.255 371 K C -0.862 175.725 176.600 -0.023 0.000 0.942 371 K CA -0.387 55.879 56.287 -0.035 0.000 0.814 371 K CB 0.832 33.274 32.500 -0.097 0.000 1.122 371 K HN 0.738 nan 8.250 nan 0.000 0.425 372 I N -0.902 119.665 120.570 -0.005 0.000 3.690 372 I HA 0.836 5.006 4.170 0.000 0.000 0.280 372 I C 0.279 176.393 176.117 -0.005 0.000 1.145 372 I CA -0.911 60.385 61.300 -0.007 0.000 1.144 372 I CB 1.530 39.528 38.000 -0.003 0.000 1.378 372 I HN 0.656 nan 8.210 nan 0.000 0.478 373 G N 1.047 109.845 108.800 -0.004 0.000 2.721 373 G HA2 -0.142 3.818 3.960 0.000 0.000 0.686 373 G HA3 -0.142 3.818 3.960 0.000 0.000 0.686 373 G C -0.256 174.645 174.900 0.002 0.000 1.236 373 G CA 0.039 45.141 45.100 0.004 0.000 0.786 373 G HN 0.879 nan 8.290 nan 0.000 0.616 374 E N 0.451 120.654 120.200 0.006 0.000 2.418 374 E HA 0.152 4.502 4.350 0.000 0.000 0.197 374 E C 2.004 178.608 176.600 0.007 0.000 1.026 374 E CA 0.464 56.867 56.400 0.005 0.000 0.862 374 E CB 0.137 29.841 29.700 0.006 0.000 0.799 374 E HN 0.824 nan 8.360 nan 0.000 0.518 375 G N 0.447 109.254 108.800 0.012 0.000 2.570 375 G HA2 0.154 4.114 3.960 0.000 0.000 0.276 375 G HA3 0.154 4.114 3.960 0.000 0.000 0.276 375 G C -0.231 174.667 174.900 -0.002 0.000 1.346 375 G CA -0.360 44.747 45.100 0.012 0.000 1.034 375 G HN -0.045 nan 8.290 nan 0.000 0.512 376 T N 0.520 115.068 114.554 -0.009 0.000 2.829 376 T HA 0.466 4.816 4.350 0.000 0.000 0.280 376 T C -0.644 174.033 174.700 -0.038 0.000 0.999 376 T CA -0.342 61.748 62.100 -0.018 0.000 0.983 376 T CB 1.335 70.197 68.868 -0.010 0.000 0.968 376 T HN 0.233 nan 8.240 nan 0.000 0.446 377 L N 3.446 124.646 121.223 -0.038 0.000 2.316 377 L HA 0.427 4.767 4.340 0.000 0.000 0.280 377 L C -0.297 176.575 176.870 0.003 0.000 1.006 377 L CA -0.437 54.374 54.840 -0.048 0.000 0.836 377 L CB 1.371 43.382 42.059 -0.079 0.000 1.221 377 L HN 0.647 nan 8.230 nan 0.000 0.418 378 T N 3.806 118.369 114.554 0.015 0.000 2.749 378 T HA 0.287 4.637 4.350 0.000 0.000 0.295 378 T C 0.041 174.799 174.700 0.097 0.000 0.936 378 T CA -0.196 61.929 62.100 0.043 0.000 1.060 378 T CB 1.380 70.260 68.868 0.019 0.000 0.904 378 T HN 0.275 nan 8.240 nan 0.000 0.500 379 V N 4.876 124.863 119.914 0.122 0.000 2.383 379 V HA 0.358 4.478 4.120 0.000 0.000 0.275 379 V C 0.461 176.593 176.094 0.062 0.000 1.036 379 V CA -0.218 62.177 62.300 0.158 0.000 0.889 379 V CB 1.215 33.167 31.823 0.216 0.000 0.985 379 V HN 0.904 nan 8.190 nan 0.000 0.459 380 Q N 3.730 123.555 119.800 0.041 0.000 2.632 380 Q HA 0.358 4.698 4.340 0.000 0.000 0.352 380 Q C 0.284 176.255 176.000 -0.049 0.000 0.821 380 Q CA -0.242 55.553 55.803 -0.014 0.000 1.060 380 Q CB 0.810 29.540 28.738 -0.014 0.000 1.429 380 Q HN 0.881 nan 8.270 nan 0.000 0.391 381 G N -0.185 108.575 108.800 -0.066 0.000 2.563 381 G HA2 0.306 4.266 3.960 0.000 0.000 0.283 381 G HA3 0.306 4.266 3.960 0.000 0.000 0.283 381 G C -0.593 174.258 174.900 -0.081 0.000 1.309 381 G CA -0.104 44.943 45.100 -0.089 0.000 1.022 381 G HN 0.202 nan 8.290 nan 0.000 0.501 382 T N -1.568 112.940 114.554 -0.078 0.000 2.823 382 T HA 0.594 4.944 4.350 0.000 0.000 0.279 382 T C 0.738 175.402 174.700 -0.060 0.000 0.998 382 T CA 1.315 63.377 62.100 -0.063 0.000 0.994 382 T CB 0.481 69.316 68.868 -0.055 0.000 0.960 382 T HN 2.267 nan 8.240 nan 0.000 0.448 383 G N 3.833 112.601 108.800 -0.053 0.000 2.562 383 G HA2 -0.187 3.773 3.960 0.000 0.000 0.250 383 G HA3 -0.187 3.773 3.960 0.000 0.000 0.250 383 G C -0.363 174.504 174.900 -0.055 0.000 1.269 383 G CA -0.128 44.944 45.100 -0.046 0.000 0.919 383 G HN 1.002 nan 8.290 nan 0.000 0.574 384 I N 1.596 122.139 120.570 -0.045 0.000 2.337 384 I HA 0.225 4.395 4.170 0.000 0.000 0.291 384 I C 0.350 176.436 176.117 -0.052 0.000 1.046 384 I CA -0.411 60.862 61.300 -0.045 0.000 1.324 384 I CB 1.189 39.173 38.000 -0.027 0.000 1.409 384 I HN 0.490 nan 8.210 nan 0.000 0.494 385 N N 5.700 124.351 118.700 -0.083 0.000 2.408 385 N HA 0.095 4.835 4.740 0.000 0.000 0.257 385 N C 0.630 176.126 175.510 -0.023 0.000 1.064 385 N CA -0.014 52.989 53.050 -0.079 0.000 0.952 385 N CB 0.831 39.198 38.487 -0.200 0.000 1.093 385 N HN 0.480 nan 8.380 nan 0.000 0.490 386 E N 1.515 121.723 120.200 0.013 0.000 2.435 386 E HA 0.066 4.416 4.350 0.000 0.000 0.195 386 E C 0.826 177.474 176.600 0.081 0.000 1.029 386 E CA -0.054 56.370 56.400 0.039 0.000 0.865 386 E CB 0.228 29.945 29.700 0.028 0.000 0.833 386 E HN 0.652 nan 8.360 nan 0.000 0.510 387 G N 0.798 109.667 108.800 0.116 0.000 2.599 387 G HA2 0.376 4.336 3.960 0.000 0.000 0.264 387 G HA3 0.376 4.336 3.960 0.000 0.000 0.264 387 G C 0.127 175.210 174.900 0.304 0.000 1.200 387 G CA -0.059 45.151 45.100 0.183 0.000 0.896 387 G HN 0.149 nan 8.290 nan 0.000 0.536 388 G N -1.495 107.456 108.800 0.251 0.000 2.705 388 G HA2 0.578 4.538 3.960 0.000 0.000 0.299 388 G HA3 0.578 4.538 3.960 0.000 0.000 0.299 388 G C -1.166 173.703 174.900 -0.050 0.000 1.315 388 G CA -0.796 44.415 45.100 0.186 0.000 1.045 388 G HN 0.632 nan 8.290 nan 0.000 0.517 389 L N -0.250 120.700 121.223 -0.456 0.000 2.386 389 L HA 0.596 4.936 4.340 0.000 0.000 0.271 389 L C -0.890 175.727 176.870 -0.421 0.000 0.993 389 L CA -0.776 53.627 54.840 -0.728 0.000 0.819 389 L CB 2.092 43.334 42.059 -1.362 0.000 1.294 389 L HN 0.458 nan 8.230 nan 0.000 0.414 390 K N 3.741 123.905 120.400 -0.393 0.000 2.376 390 K HA 0.528 4.848 4.320 0.000 0.000 0.257 390 K C -1.356 175.064 176.600 -0.301 0.000 0.939 390 K CA -0.546 55.511 56.287 -0.383 0.000 0.809 390 K CB 2.986 35.144 32.500 -0.569 0.000 1.121 390 K HN 0.299 nan 8.250 nan 0.000 0.425 391 V N 1.862 121.646 119.914 -0.217 0.000 2.540 391 V HA 0.617 4.737 4.120 0.000 0.000 0.302 391 V C 0.204 176.246 176.094 -0.086 0.000 1.035 391 V CA -0.043 62.171 62.300 -0.144 0.000 0.873 391 V CB 1.490 33.230 31.823 -0.139 0.000 0.992 391 V HN 0.966 nan 8.190 nan 0.000 0.428 392 G N 4.014 112.784 108.800 -0.050 0.000 3.274 392 G HA2 0.364 4.324 3.960 0.000 0.000 0.250 392 G HA3 0.364 4.324 3.960 0.000 0.000 0.250 392 G C -0.204 174.689 174.900 -0.013 0.000 1.024 392 G CA 0.232 45.322 45.100 -0.018 0.000 0.840 392 G HN 0.651 nan 8.290 nan 0.000 0.522 393 D N -2.249 118.139 120.400 -0.019 0.000 2.671 393 D HA 0.469 5.109 4.640 0.000 0.000 0.273 393 D C 0.847 177.138 176.300 -0.015 0.000 1.264 393 D CA 0.877 54.869 54.000 -0.013 0.000 0.788 393 D CB 1.118 41.912 40.800 -0.011 0.000 1.324 393 D HN 0.598 nan 8.370 nan 0.000 0.424 394 G N 1.392 110.187 108.800 -0.008 0.000 2.574 394 G HA2 -0.230 3.730 3.960 0.000 0.000 0.282 394 G HA3 -0.230 3.730 3.960 0.000 0.000 0.282 394 G C -0.404 174.491 174.900 -0.008 0.000 1.257 394 G CA 0.700 45.796 45.100 -0.006 0.000 0.956 394 G HN 0.690 nan 8.290 nan 0.000 0.560 395 K N -1.050 119.345 120.400 -0.009 0.000 2.378 395 K HA 0.642 4.962 4.320 0.000 0.000 0.252 395 K C -0.990 175.604 176.600 -0.009 0.000 0.931 395 K CA -0.831 55.453 56.287 -0.005 0.000 0.794 395 K CB 2.089 34.591 32.500 0.002 0.000 1.181 395 K HN 0.534 nan 8.250 nan 0.000 0.425 396 V N 4.286 124.196 119.914 -0.006 0.000 2.448 396 V HA 0.350 4.470 4.120 0.000 0.000 0.295 396 V C -0.690 175.422 176.094 0.030 0.000 1.025 396 V CA -0.917 61.387 62.300 0.007 0.000 0.859 396 V CB 1.671 33.489 31.823 -0.009 0.000 0.988 396 V HN 0.530 nan 8.190 nan 0.000 0.431 397 V N 6.497 126.435 119.914 0.041 0.000 2.370 397 V HA 0.423 4.543 4.120 0.000 0.000 0.283 397 V C -0.075 176.060 176.094 0.068 0.000 1.023 397 V CA -0.478 61.849 62.300 0.045 0.000 0.857 397 V CB 1.527 33.368 31.823 0.029 0.000 0.985 397 V HN 0.629 nan 8.190 nan 0.000 0.443 398 L N 5.046 126.313 121.223 0.074 0.000 2.259 398 L HA 0.493 4.833 4.340 0.000 0.000 0.288 398 L C 0.787 177.682 176.870 0.042 0.000 1.051 398 L CA 0.140 55.032 54.840 0.087 0.000 0.824 398 L CB 0.419 42.546 42.059 0.113 0.000 1.206 398 L HN 0.724 nan 8.230 nan 0.000 0.429 399 N N 2.417 121.132 118.700 0.025 0.000 2.451 399 N HA 0.014 4.754 4.740 0.000 0.000 0.271 399 N C 0.049 175.549 175.510 -0.016 0.000 1.410 399 N CA -0.355 52.698 53.050 0.004 0.000 0.884 399 N CB 0.786 39.277 38.487 0.006 0.000 1.332 399 N HN 0.597 nan 8.380 nan 0.000 0.498 400 Q N 1.036 120.815 119.800 -0.034 0.000 2.386 400 Q HA 0.017 4.357 4.340 0.000 0.000 0.282 400 Q C -0.753 175.219 176.000 -0.047 0.000 1.050 400 Q CA 0.835 56.601 55.803 -0.062 0.000 0.918 400 Q CB 0.567 29.242 28.738 -0.104 0.000 1.266 400 Q HN 0.226 nan 8.270 nan 0.000 0.423 401 Q N 0.950 120.721 119.800 -0.048 0.000 2.484 401 Q HA 0.662 5.002 4.340 0.000 0.000 0.285 401 Q C -1.236 174.740 176.000 -0.039 0.000 1.097 401 Q CA -0.705 55.075 55.803 -0.038 0.000 0.802 401 Q CB 1.809 30.526 28.738 -0.034 0.000 1.444 401 Q HN 0.779 nan 8.270 nan 0.000 0.429 402 A N 1.298 124.099 122.820 -0.032 0.000 2.407 402 A HA 0.371 4.691 4.320 0.000 0.000 0.248 402 A C -0.051 177.515 177.584 -0.030 0.000 1.082 402 A CA -0.235 51.784 52.037 -0.030 0.000 0.785 402 A CB -0.029 18.956 19.000 -0.025 0.000 1.020 402 A HN 0.714 nan 8.150 nan 0.000 0.489 403 D N 0.318 120.700 120.400 -0.029 0.000 2.478 403 D HA 0.097 4.737 4.640 0.000 0.000 0.269 403 D C 0.773 177.060 176.300 -0.022 0.000 1.232 403 D CA -0.123 53.861 54.000 -0.027 0.000 1.059 403 D CB 0.085 40.868 40.800 -0.028 0.000 1.104 403 D HN 0.453 nan 8.370 nan 0.000 0.566 404 N N -0.647 118.041 118.700 -0.020 0.000 2.573 404 N HA -0.167 4.573 4.740 0.000 0.000 0.187 404 N C 0.659 176.160 175.510 -0.015 0.000 1.107 404 N CA 0.863 53.903 53.050 -0.017 0.000 0.918 404 N CB -0.289 38.189 38.487 -0.015 0.000 0.966 404 N HN 0.421 nan 8.380 nan 0.000 0.448 405 K N -0.971 119.420 120.400 -0.016 0.000 2.374 405 K HA 0.231 4.551 4.320 0.000 0.000 0.196 405 K C 0.657 177.248 176.600 -0.015 0.000 1.023 405 K CA 0.377 56.656 56.287 -0.014 0.000 1.103 405 K CB 0.177 32.669 32.500 -0.013 0.000 0.848 405 K HN 0.309 nan 8.250 nan 0.000 0.528 406 G N 1.527 110.317 108.800 -0.017 0.000 2.143 406 G HA2 -0.296 3.664 3.960 0.000 0.000 0.249 406 G HA3 -0.296 3.664 3.960 0.000 0.000 0.249 406 G C -0.254 174.635 174.900 -0.019 0.000 0.981 406 G CA -0.086 45.004 45.100 -0.017 0.000 0.665 406 G HN 0.338 nan 8.290 nan 0.000 0.528 407 Q N -0.581 119.207 119.800 -0.020 0.000 2.243 407 Q HA 0.681 5.021 4.340 0.000 0.000 0.252 407 Q C -0.461 175.522 176.000 -0.028 0.000 0.909 407 Q CA -0.335 55.455 55.803 -0.022 0.000 0.922 407 Q CB 2.691 31.417 28.738 -0.020 0.000 1.215 407 Q HN 0.546 nan 8.270 nan 0.000 0.427 408 V N 2.602 122.498 119.914 -0.030 0.000 2.969 408 V HA 0.508 4.628 4.120 0.000 0.000 0.304 408 V C -2.044 174.025 176.094 -0.041 0.000 1.192 408 V CA -0.270 62.006 62.300 -0.039 0.000 0.962 408 V CB 2.285 34.086 31.823 -0.037 0.000 1.045 408 V HN 0.911 nan 8.190 nan 0.000 0.428 409 Q N 4.768 124.532 119.800 -0.059 0.000 2.520 409 Q HA 0.559 4.899 4.340 0.000 0.000 0.237 409 Q C 0.055 175.981 176.000 -0.124 0.000 0.875 409 Q CA 0.158 55.925 55.803 -0.061 0.000 1.028 409 Q CB 1.786 30.503 28.738 -0.036 0.000 1.534 409 Q HN 1.264 nan 8.270 nan 0.000 0.471 410 A N 3.938 126.673 122.820 -0.143 0.000 1.858 410 A HA 0.148 4.468 4.320 0.000 0.000 0.216 410 A C -0.142 177.031 177.584 -0.685 0.000 1.190 410 A CA 1.368 53.191 52.037 -0.356 0.000 0.617 410 A CB 0.060 18.961 19.000 -0.165 0.000 0.827 410 A HN 0.550 nan 8.150 nan 0.000 0.443 411 F N -2.919 117.039 119.950 0.014 0.000 2.631 411 F HA 0.347 4.874 4.527 -0.000 0.000 0.308 411 F C 1.246 177.049 175.800 0.005 0.000 1.097 411 F CA -0.225 57.784 58.000 0.015 0.000 0.952 411 F CB 1.718 40.723 39.000 0.008 0.000 1.307 411 F HN 0.013 nan 8.300 nan 0.000 0.450 412 S N -0.513 115.319 115.700 0.220 0.000 2.489 412 S HA 0.176 4.646 4.470 0.000 0.000 0.228 412 S C 0.346 175.007 174.600 0.102 0.000 0.995 412 S CA 0.692 58.963 58.200 0.119 0.000 0.934 412 S CB -0.321 62.934 63.200 0.091 0.000 0.771 412 S HN 0.801 nan 8.310 nan 0.000 0.522 413 S N -0.781 114.991 115.700 0.119 0.000 2.567 413 S HA 0.664 5.134 4.470 0.000 0.000 0.270 413 S C -1.507 173.082 174.600 -0.019 0.000 1.152 413 S CA -0.833 57.394 58.200 0.045 0.000 0.835 413 S CB 1.601 64.816 63.200 0.025 0.000 1.115 413 S HN 0.316 nan 8.310 nan 0.000 0.459 414 V N 2.095 121.960 119.914 -0.083 0.000 2.569 414 V HA 0.597 4.717 4.120 0.000 0.000 0.301 414 V C -0.716 175.257 176.094 -0.201 0.000 1.044 414 V CA -0.624 61.563 62.300 -0.188 0.000 0.874 414 V CB 1.466 33.179 31.823 -0.183 0.000 1.002 414 V HN 0.977 nan 8.190 nan 0.000 0.424 415 N N 4.027 122.604 118.700 -0.205 0.000 2.400 415 N HA 0.643 5.383 4.740 0.000 0.000 0.288 415 N C -1.069 174.330 175.510 -0.185 0.000 1.024 415 N CA -0.447 52.503 53.050 -0.166 0.000 0.894 415 N CB 1.276 39.702 38.487 -0.102 0.000 1.173 415 N HN 0.658 nan 8.380 nan 0.000 0.487 416 I N 2.502 122.957 120.570 -0.192 0.000 2.355 416 I HA 0.656 4.826 4.170 0.000 0.000 0.288 416 I C -0.176 175.957 176.117 0.026 0.000 0.999 416 I CA -0.641 60.581 61.300 -0.130 0.000 1.163 416 I CB 1.281 39.129 38.000 -0.255 0.000 1.316 416 I HN 0.549 nan 8.210 nan 0.000 0.454 417 A N 4.012 126.852 122.820 0.034 0.000 2.566 417 A HA 0.770 5.090 4.320 0.000 0.000 0.292 417 A C 0.370 177.994 177.584 0.067 0.000 1.112 417 A CA 0.223 52.313 52.037 0.089 0.000 0.707 417 A CB 1.672 20.752 19.000 0.133 0.000 1.302 417 A HN 1.176 nan 8.150 nan 0.000 0.409 418 S N -1.163 114.581 115.700 0.073 0.000 2.089 418 S HA -0.001 4.469 4.470 0.000 0.000 0.251 418 S C 2.174 176.756 174.600 -0.029 0.000 1.211 418 S CA 1.588 59.814 58.200 0.043 0.000 1.307 418 S CB -1.945 61.284 63.200 0.049 0.000 1.617 418 S HN 3.090 nan 8.310 nan 0.000 0.596 419 G N 1.536 110.320 108.800 -0.027 0.000 2.179 419 G HA2 -0.375 3.585 3.960 0.000 0.000 0.260 419 G HA3 -0.375 3.585 3.960 0.000 0.000 0.260 419 G C 0.721 175.610 174.900 -0.018 0.000 0.977 419 G CA 0.953 46.029 45.100 -0.040 0.000 0.641 419 G HN 0.876 nan 8.290 nan 0.000 0.533 420 R N 0.471 120.968 120.500 -0.006 0.000 2.112 420 R HA 0.146 4.486 4.340 0.000 0.000 0.216 420 R C -1.397 174.904 176.300 0.001 0.000 1.080 420 R CA 0.984 57.081 56.100 -0.004 0.000 0.996 420 R CB -0.412 29.885 30.300 -0.004 0.000 0.902 420 R HN 0.489 nan 8.270 nan 0.000 0.449 421 P HA 0.251 nan 4.420 nan 0.000 0.283 421 P C -0.961 176.350 177.300 0.017 0.000 1.278 421 P CA -0.129 62.973 63.100 0.004 0.000 0.834 421 P CB 1.832 33.525 31.700 -0.011 0.000 1.150 422 T N -0.124 114.437 114.554 0.011 0.000 2.881 422 T HA 0.383 4.733 4.350 0.000 0.000 0.290 422 T C -0.627 174.079 174.700 0.010 0.000 1.000 422 T CA -0.396 61.718 62.100 0.024 0.000 0.978 422 T CB 1.158 70.043 68.868 0.027 0.000 0.997 422 T HN 0.091 nan 8.240 nan 0.000 0.443 423 V N 3.596 123.517 119.914 0.012 0.000 2.417 423 V HA 0.516 4.636 4.120 0.000 0.000 0.291 423 V C -0.228 175.885 176.094 0.031 0.000 1.024 423 V CA -0.708 61.594 62.300 0.003 0.000 0.861 423 V CB 1.676 33.476 31.823 -0.039 0.000 0.985 423 V HN 0.722 nan 8.190 nan 0.000 0.436 424 V N 6.098 126.033 119.914 0.035 0.000 2.417 424 V HA 0.422 4.542 4.120 0.000 0.000 0.291 424 V C -0.368 175.753 176.094 0.044 0.000 1.024 424 V CA -0.724 61.601 62.300 0.042 0.000 0.861 424 V CB 1.652 33.496 31.823 0.034 0.000 0.985 424 V HN 0.525 nan 8.190 nan 0.000 0.436 425 L N 5.098 126.350 121.223 0.047 0.000 2.260 425 L HA 0.332 4.672 4.340 0.000 0.000 0.289 425 L C 1.609 178.497 176.870 0.031 0.000 1.057 425 L CA 0.504 55.369 54.840 0.041 0.000 0.811 425 L CB 1.115 43.200 42.059 0.044 0.000 1.184 425 L HN 0.911 nan 8.230 nan 0.000 0.429 426 T N -1.376 113.192 114.554 0.024 0.000 3.023 426 T HA 0.064 4.414 4.350 0.000 0.000 0.266 426 T C 0.331 175.038 174.700 0.011 0.000 1.093 426 T CA 0.810 62.919 62.100 0.016 0.000 1.129 426 T CB -0.080 68.794 68.868 0.011 0.000 0.899 426 T HN 0.625 nan 8.240 nan 0.000 0.491 427 D N -0.561 119.844 120.400 0.008 0.000 2.946 427 D HA 0.246 4.886 4.640 0.000 0.000 0.337 427 D C -0.173 176.124 176.300 -0.005 0.000 1.332 427 D CA -0.863 53.138 54.000 0.001 0.000 0.935 427 D CB 0.317 41.114 40.800 -0.005 0.000 1.440 427 D HN 0.027 nan 8.370 nan 0.000 0.540 428 E N -1.276 118.916 120.200 -0.014 0.000 2.465 428 E HA 0.191 4.541 4.350 0.000 0.000 0.191 428 E C 0.705 177.286 176.600 -0.032 0.000 1.053 428 E CA 0.032 56.416 56.400 -0.026 0.000 0.869 428 E CB 0.283 29.965 29.700 -0.030 0.000 0.977 428 E HN 0.217 nan 8.360 nan 0.000 0.483 429 R N -0.144 120.342 120.500 -0.024 0.000 2.437 429 R HA 0.134 4.474 4.340 0.000 0.000 0.257 429 R C 1.349 177.636 176.300 -0.022 0.000 0.927 429 R CA -0.120 55.965 56.100 -0.025 0.000 1.078 429 R CB 0.422 30.708 30.300 -0.023 0.000 1.161 429 R HN 0.032 nan 8.270 nan 0.000 0.529 430 Q N 0.504 120.296 119.800 -0.013 0.000 2.119 430 Q HA 0.046 4.386 4.340 0.000 0.000 0.201 430 Q C 0.593 176.600 176.000 0.012 0.000 0.972 430 Q CA 0.962 56.765 55.803 -0.001 0.000 0.847 430 Q CB 0.384 29.136 28.738 0.023 0.000 0.903 430 Q HN 0.050 nan 8.270 nan 0.000 0.433 431 V N 1.196 121.112 119.914 0.003 0.000 3.023 431 V HA 0.136 4.256 4.120 0.000 0.000 0.294 431 V C -1.167 174.908 176.094 -0.031 0.000 1.324 431 V CA -1.221 61.087 62.300 0.014 0.000 0.979 431 V CB 2.383 34.230 31.823 0.039 0.000 1.093 431 V HN 0.184 nan 8.190 nan 0.000 0.434 432 N N 5.968 124.655 118.700 -0.023 0.000 2.452 432 N HA 0.252 4.992 4.740 0.000 0.000 0.266 432 N C -1.759 173.692 175.510 -0.098 0.000 1.175 432 N CA -1.475 51.544 53.050 -0.051 0.000 0.945 432 N CB 1.776 40.258 38.487 -0.008 0.000 1.063 432 N HN 0.264 nan 8.380 nan 0.000 0.472 433 P HA -0.097 nan 4.420 nan 0.000 0.218 433 P C 0.250 177.455 177.300 -0.160 0.000 1.148 433 P CA 1.099 63.927 63.100 -0.454 0.000 0.822 433 P CB 0.299 31.305 31.700 -1.157 0.000 0.784 434 D N -1.593 118.783 120.400 -0.041 0.000 2.350 434 D HA -0.071 4.569 4.640 0.000 0.000 0.216 434 D C 1.535 177.917 176.300 0.137 0.000 0.968 434 D CA 1.379 55.462 54.000 0.139 0.000 0.894 434 D CB -0.588 40.316 40.800 0.173 0.000 0.909 434 D HN 0.316 nan 8.370 nan 0.000 0.520 435 T N -2.029 112.567 114.554 0.071 0.000 3.086 435 T HA 0.119 4.469 4.350 0.000 0.000 0.250 435 T C 0.836 175.550 174.700 0.024 0.000 1.074 435 T CA -0.421 61.713 62.100 0.057 0.000 0.988 435 T CB -0.089 68.804 68.868 0.042 0.000 0.988 435 T HN -0.028 nan 8.240 nan 0.000 0.530 436 V N 2.129 122.055 119.914 0.019 0.000 2.509 436 V HA 0.774 4.894 4.120 0.000 0.000 0.284 436 V C -0.482 175.562 176.094 -0.084 0.000 1.047 436 V CA -0.471 61.765 62.300 -0.106 0.000 0.952 436 V CB 1.255 32.952 31.823 -0.211 0.000 0.988 436 V HN 0.603 nan 8.190 nan 0.000 0.469 437 S N 5.597 121.192 115.700 -0.175 0.000 2.569 437 S HA 0.672 5.142 4.470 0.000 0.000 0.280 437 S C -1.145 173.416 174.600 -0.066 0.000 1.111 437 S CA -0.827 57.394 58.200 0.035 0.000 0.887 437 S CB 1.710 64.987 63.200 0.128 0.000 1.095 437 S HN 0.900 nan 8.310 nan 0.000 0.476 438 W N 1.428 122.797 121.300 0.116 0.000 2.417 438 W HA 0.548 5.208 4.660 0.000 0.000 0.315 438 W C 0.602 177.175 176.519 0.090 0.000 1.045 438 W CA -0.950 56.446 57.345 0.085 0.000 1.221 438 W CB 2.071 31.578 29.460 0.077 0.000 1.309 438 W HN 1.088 nan 8.180 nan 0.000 0.453 439 G N 1.454 110.415 108.800 0.268 0.000 2.574 439 G HA2 0.099 4.059 3.960 0.000 0.000 0.248 439 G HA3 0.099 4.059 3.960 0.000 0.000 0.248 439 G C -1.308 173.739 174.900 0.245 0.000 1.422 439 G CA -0.620 44.621 45.100 0.234 0.000 1.051 439 G HN 0.438 nan 8.290 nan 0.000 0.560 440 Y N 0.945 121.317 120.300 0.120 0.000 2.770 440 Y HA 0.132 4.682 4.550 0.000 0.000 0.342 440 Y C 1.587 177.536 175.900 0.081 0.000 1.221 440 Y CA 0.930 59.089 58.100 0.098 0.000 1.560 440 Y CB -0.049 38.475 38.460 0.107 0.000 1.213 440 Y HN 0.693 nan 8.280 nan 0.000 0.525 441 R N 2.779 123.062 120.500 -0.362 0.000 3.922 441 R HA -0.253 4.087 4.340 0.000 0.000 0.447 441 R C 1.200 177.438 176.300 -0.104 0.000 1.035 441 R CA 0.671 56.568 56.100 -0.339 0.000 1.289 441 R CB -1.907 28.087 30.300 -0.510 0.000 1.906 441 R HN 1.271 nan 8.270 nan 0.000 0.540 442 G N -0.676 108.145 108.800 0.036 0.000 2.622 442 G HA2 -0.006 3.954 3.960 0.000 0.000 0.307 442 G HA3 -0.006 3.954 3.960 0.000 0.000 0.307 442 G C 0.507 175.511 174.900 0.174 0.000 1.226 442 G CA 0.651 45.869 45.100 0.196 0.000 0.997 442 G HN 1.410 nan 8.290 nan 0.000 0.551 443 G N -3.816 105.103 108.800 0.198 0.000 2.359 443 G HA2 0.529 4.489 3.960 0.000 0.000 0.303 443 G HA3 0.529 4.489 3.960 0.000 0.000 0.303 443 G C -0.639 174.428 174.900 0.278 0.000 1.293 443 G CA 0.489 45.686 45.100 0.162 0.000 0.964 443 G HN 1.699 nan 8.290 nan 0.000 0.531 444 T N 1.293 115.963 114.554 0.193 0.000 2.771 444 T HA 0.580 4.930 4.350 0.000 0.000 0.281 444 T C 0.043 174.880 174.700 0.227 0.000 0.982 444 T CA -0.411 61.823 62.100 0.222 0.000 0.978 444 T CB 1.305 70.239 68.868 0.109 0.000 0.930 444 T HN 0.583 nan 8.240 nan 0.000 0.447 445 L N 3.987 125.425 121.223 0.358 0.000 2.255 445 L HA 0.385 4.725 4.340 0.000 0.000 0.289 445 L C -0.532 176.459 176.870 0.201 0.000 1.046 445 L CA -0.439 54.538 54.840 0.227 0.000 0.816 445 L CB 0.827 43.062 42.059 0.295 0.000 1.197 445 L HN 0.616 nan 8.230 nan 0.000 0.427 446 D N 3.849 124.325 120.400 0.127 0.000 2.412 446 D HA 0.120 4.760 4.640 0.000 0.000 0.224 446 D C 0.993 177.352 176.300 0.098 0.000 1.093 446 D CA -0.498 53.565 54.000 0.104 0.000 0.850 446 D CB 1.582 42.426 40.800 0.072 0.000 1.046 446 D HN 0.388 nan 8.370 nan 0.000 0.507 447 V N 2.141 122.123 119.914 0.112 0.000 3.217 447 V HA 0.025 4.145 4.120 0.000 0.000 0.264 447 V C 0.931 177.066 176.094 0.068 0.000 1.135 447 V CA 0.690 63.052 62.300 0.104 0.000 1.142 447 V CB -1.314 30.587 31.823 0.131 0.000 0.754 447 V HN 0.761 nan 8.190 nan 0.000 0.484 448 N N 0.973 119.709 118.700 0.060 0.000 2.738 448 N HA -0.127 4.613 4.740 0.000 0.000 0.249 448 N C 0.907 176.438 175.510 0.035 0.000 1.047 448 N CA 1.480 54.556 53.050 0.043 0.000 0.707 448 N CB -1.435 37.075 38.487 0.039 0.000 0.937 448 N HN 1.711 nan 8.380 nan 0.000 0.545 449 G N -1.212 107.610 108.800 0.036 0.000 2.157 449 G HA2 -0.289 3.671 3.960 0.000 0.000 0.248 449 G HA3 -0.289 3.671 3.960 0.000 0.000 0.248 449 G C -0.341 174.574 174.900 0.025 0.000 0.979 449 G CA 0.167 45.284 45.100 0.028 0.000 0.650 449 G HN 0.601 nan 8.290 nan 0.000 0.529 450 N N 1.018 119.737 118.700 0.031 0.000 2.424 450 N HA 0.456 5.196 4.740 0.000 0.000 0.271 450 N C -0.330 175.197 175.510 0.029 0.000 0.985 450 N CA -0.151 52.913 53.050 0.023 0.000 0.921 450 N CB 1.597 40.096 38.487 0.021 0.000 1.149 450 N HN 0.133 nan 8.380 nan 0.000 0.492 451 S N 2.016 117.724 115.700 0.014 0.000 2.531 451 S HA 0.328 4.798 4.470 0.000 0.000 0.279 451 S C -0.018 174.579 174.600 -0.005 0.000 1.305 451 S CA -0.272 57.934 58.200 0.011 0.000 1.058 451 S CB 0.349 63.546 63.200 -0.004 0.000 0.899 451 S HN 0.304 nan 8.310 nan 0.000 0.493 452 L N 2.657 123.885 121.223 0.009 0.000 2.371 452 L HA 0.530 4.870 4.340 0.000 0.000 0.262 452 L C 0.042 176.871 176.870 -0.067 0.000 1.006 452 L CA -0.178 54.627 54.840 -0.058 0.000 0.818 452 L CB 2.297 44.336 42.059 -0.033 0.000 1.354 452 L HN 0.527 nan 8.230 nan 0.000 0.415 453 T N 2.236 116.663 114.554 -0.212 0.000 2.779 453 T HA 0.635 4.985 4.350 0.000 0.000 0.280 453 T C -0.910 173.529 174.700 -0.435 0.000 0.987 453 T CA -0.104 61.860 62.100 -0.225 0.000 0.966 453 T CB 0.303 69.028 68.868 -0.238 0.000 0.933 453 T HN 0.084 nan 8.240 nan 0.000 0.442 454 F N 1.530 121.330 119.950 -0.251 0.000 2.458 454 F HA 0.393 4.920 4.527 -0.000 0.000 0.336 454 F C 1.169 176.781 175.800 -0.315 0.000 1.114 454 F CA -0.844 57.026 58.000 -0.217 0.000 0.987 454 F CB 1.322 40.286 39.000 -0.061 0.000 1.130 454 F HN 0.727 nan 8.300 nan 0.000 0.458 455 H N -0.259 118.910 119.070 0.164 0.000 2.592 455 H HA 0.141 4.697 4.556 0.000 0.000 0.265 455 H C -0.189 175.221 175.328 0.137 0.000 0.955 455 H CA 0.125 56.237 56.048 0.107 0.000 1.175 455 H CB 0.457 30.259 29.762 0.068 0.000 1.433 455 H HN 0.573 nan 8.280 nan 0.000 0.537 456 Q N -0.005 119.970 119.800 0.292 0.000 2.522 456 Q HA 0.363 4.703 4.340 0.000 0.000 0.285 456 Q C -1.956 174.291 176.000 0.413 0.000 0.982 456 Q CA -1.141 54.852 55.803 0.317 0.000 0.805 456 Q CB 1.712 30.681 28.738 0.386 0.000 1.457 456 Q HN -0.032 nan 8.270 nan 0.000 0.394 457 L N 2.181 123.682 121.223 0.463 0.000 2.462 457 L HA 0.389 4.729 4.340 0.000 0.000 0.255 457 L C -0.947 176.239 176.870 0.527 0.000 1.076 457 L CA -0.391 54.684 54.840 0.392 0.000 0.920 457 L CB 1.432 43.532 42.059 0.069 0.000 1.214 457 L HN 0.634 nan 8.230 nan 0.000 0.472 458 K N 2.862 123.607 120.400 0.576 0.000 2.142 458 K HA 0.567 4.887 4.320 0.000 0.000 0.250 458 K C -0.219 176.723 176.600 0.570 0.000 1.148 458 K CA -0.015 56.572 56.287 0.499 0.000 1.040 458 K CB 0.811 33.545 32.500 0.391 0.000 1.569 458 K HN 0.503 nan 8.250 nan 0.000 0.361 459 A N 1.276 124.371 122.820 0.458 0.000 2.332 459 A HA 0.567 4.887 4.320 0.000 0.000 0.300 459 A C 0.879 178.604 177.584 0.236 0.000 1.153 459 A CA -0.481 51.768 52.037 0.353 0.000 0.764 459 A CB 1.284 20.343 19.000 0.099 0.000 1.174 459 A HN 0.539 nan 8.150 nan 0.000 0.467 460 A N 2.322 125.279 122.820 0.228 0.000 1.930 460 A HA 0.309 4.629 4.320 0.000 0.000 0.217 460 A C 0.807 178.436 177.584 0.075 0.000 1.175 460 A CA 2.130 54.276 52.037 0.183 0.000 0.627 460 A CB -0.329 18.787 19.000 0.192 0.000 0.815 460 A HN 1.032 nan 8.150 nan 0.000 0.443 461 D N -6.290 114.100 120.400 -0.017 0.000 2.851 461 D HA 0.153 4.793 4.640 0.000 0.000 0.339 461 D C 0.266 176.460 176.300 -0.176 0.000 1.347 461 D CA -0.486 53.426 54.000 -0.147 0.000 0.888 461 D CB -0.371 40.357 40.800 -0.120 0.000 1.431 461 D HN -0.114 nan 8.370 nan 0.000 0.509 462 Y N 0.515 120.606 120.300 -0.350 0.000 2.333 462 Y HA 0.118 4.668 4.550 0.000 0.000 0.290 462 Y C 2.164 177.887 175.900 -0.295 0.000 1.144 462 Y CA 2.317 60.202 58.100 -0.358 0.000 1.228 462 Y CB -0.532 37.722 38.460 -0.345 0.000 0.985 462 Y HN 0.566 nan 8.280 nan 0.000 0.542 463 G N -0.027 108.616 108.800 -0.261 0.000 2.586 463 G HA2 -0.021 3.939 3.960 0.000 0.000 0.215 463 G HA3 -0.021 3.939 3.960 0.000 0.000 0.215 463 G C 0.565 175.304 174.900 -0.267 0.000 1.128 463 G CA 0.321 45.257 45.100 -0.273 0.000 0.774 463 G HN 0.578 nan 8.290 nan 0.000 0.543 464 A N 0.502 123.096 122.820 -0.377 0.000 2.410 464 A HA 0.549 4.869 4.320 0.000 0.000 0.292 464 A C -0.320 176.872 177.584 -0.654 0.000 1.232 464 A CA -0.198 51.462 52.037 -0.629 0.000 0.893 464 A CB 0.535 19.044 19.000 -0.819 0.000 1.131 464 A HN 0.152 nan 8.150 nan 0.000 0.530 465 V N 4.441 124.149 119.914 -0.343 0.000 2.370 465 V HA 0.317 4.437 4.120 0.000 0.000 0.283 465 V C -0.322 175.826 176.094 0.090 0.000 1.023 465 V CA -0.526 61.693 62.300 -0.135 0.000 0.857 465 V CB 1.232 33.024 31.823 -0.051 0.000 0.985 465 V HN 0.767 nan 8.190 nan 0.000 0.443 466 L N 5.541 126.784 121.223 0.034 0.000 2.265 466 L HA 0.880 5.220 4.340 0.000 0.000 0.289 466 L C 0.115 177.048 176.870 0.105 0.000 1.033 466 L CA 0.146 55.071 54.840 0.142 0.000 0.814 466 L CB 0.811 42.863 42.059 -0.011 0.000 1.203 466 L HN 0.794 nan 8.230 nan 0.000 0.423 467 A N 4.044 126.943 122.820 0.132 0.000 2.527 467 A HA 0.787 5.107 4.320 0.000 0.000 0.293 467 A C -1.287 176.352 177.584 0.092 0.000 1.117 467 A CA -0.709 51.383 52.037 0.093 0.000 0.723 467 A CB 1.468 20.513 19.000 0.075 0.000 1.313 467 A HN 0.598 nan 8.150 nan 0.000 0.411 468 N N 0.632 119.375 118.700 0.072 0.000 2.540 468 N HA 0.283 5.023 4.740 0.000 0.000 0.275 468 N C -1.189 174.350 175.510 0.048 0.000 1.053 468 N CA -0.437 52.650 53.050 0.063 0.000 0.876 468 N CB 0.868 39.391 38.487 0.060 0.000 1.284 468 N HN 0.461 nan 8.380 nan 0.000 0.518 469 N N 1.897 120.623 118.700 0.043 0.000 2.320 469 N HA 0.142 4.882 4.740 0.000 0.000 0.237 469 N C -0.762 174.764 175.510 0.027 0.000 1.129 469 N CA 0.143 53.212 53.050 0.032 0.000 0.854 469 N CB 0.858 39.363 38.487 0.030 0.000 1.083 469 N HN 0.240 nan 8.380 nan 0.000 0.504 470 V N 1.009 120.940 119.914 0.028 0.000 3.001 470 V HA 0.148 4.268 4.120 0.000 0.000 0.314 470 V C -0.164 175.943 176.094 0.022 0.000 1.099 470 V CA -0.764 61.550 62.300 0.023 0.000 0.989 470 V CB 2.257 34.094 31.823 0.023 0.000 1.040 470 V HN 0.127 nan 8.190 nan 0.000 0.434 471 D N 2.040 122.450 120.400 0.017 0.000 2.349 471 D HA -0.036 4.604 4.640 0.000 0.000 0.224 471 D C 0.504 176.814 176.300 0.016 0.000 1.029 471 D CA 0.195 54.205 54.000 0.016 0.000 0.879 471 D CB -0.012 40.796 40.800 0.013 0.000 0.906 471 D HN 0.407 nan 8.370 nan 0.000 0.528 472 K N 1.057 121.467 120.400 0.017 0.000 2.285 472 K HA 0.159 4.479 4.320 0.000 0.000 0.286 472 K C -0.042 176.570 176.600 0.020 0.000 1.072 472 K CA -0.882 55.414 56.287 0.016 0.000 0.913 472 K CB 0.730 33.238 32.500 0.014 0.000 1.067 472 K HN -0.182 nan 8.250 nan 0.000 0.479 473 R N 3.011 123.522 120.500 0.019 0.000 2.570 473 R HA 0.179 4.519 4.340 0.000 0.000 0.277 473 R C -1.312 175.000 176.300 0.020 0.000 1.039 473 R CA 0.432 56.545 56.100 0.021 0.000 1.065 473 R CB 0.670 30.980 30.300 0.018 0.000 0.964 473 R HN 0.663 nan 8.270 nan 0.000 0.428 474 A N 2.852 125.687 122.820 0.025 0.000 2.413 474 A HA 0.616 4.936 4.320 0.000 0.000 0.307 474 A C -1.015 176.581 177.584 0.020 0.000 1.087 474 A CA -0.698 51.354 52.037 0.025 0.000 0.750 474 A CB 1.847 20.870 19.000 0.039 0.000 1.296 474 A HN 0.703 nan 8.150 nan 0.000 0.423 475 T N 2.721 117.281 114.554 0.010 0.000 2.779 475 T HA 0.444 4.794 4.350 0.000 0.000 0.280 475 T C -0.264 174.440 174.700 0.006 0.000 0.987 475 T CA -0.203 61.891 62.100 -0.009 0.000 0.966 475 T CB 0.419 69.270 68.868 -0.029 0.000 0.933 475 T HN 0.395 nan 8.240 nan 0.000 0.442 476 I N 3.930 124.498 120.570 -0.002 0.000 2.312 476 I HA 0.203 4.373 4.170 0.000 0.000 0.291 476 I C 0.840 176.937 176.117 -0.033 0.000 1.031 476 I CA -0.342 60.978 61.300 0.033 0.000 1.293 476 I CB 0.341 38.345 38.000 0.006 0.000 1.403 476 I HN 0.532 nan 8.210 nan 0.000 0.484 477 T N 7.612 122.163 114.554 -0.005 0.000 2.728 477 T HA 0.394 4.744 4.350 0.000 0.000 0.296 477 T C 0.044 174.723 174.700 -0.035 0.000 0.940 477 T CA -0.372 61.694 62.100 -0.057 0.000 1.013 477 T CB 0.706 69.532 68.868 -0.070 0.000 0.912 477 T HN 0.134 nan 8.240 nan 0.000 0.484 478 L N 3.830 125.005 121.223 -0.080 0.000 2.275 478 L HA 0.459 4.799 4.340 0.000 0.000 0.288 478 L C 0.259 177.059 176.870 -0.116 0.000 1.046 478 L CA -0.007 54.802 54.840 -0.052 0.000 0.805 478 L CB 1.283 43.325 42.059 -0.029 0.000 1.193 478 L HN 0.550 nan 8.230 nan 0.000 0.426 479 D N 1.682 122.024 120.400 -0.097 0.000 2.735 479 D HA 0.109 4.749 4.640 0.000 0.000 0.291 479 D C 0.088 176.377 176.300 -0.018 0.000 1.205 479 D CA -0.189 53.747 54.000 -0.106 0.000 0.777 479 D CB 0.170 40.974 40.800 0.007 0.000 1.234 479 D HN 0.429 nan 8.370 nan 0.000 0.520 480 Y N -0.399 119.880 120.300 -0.035 0.000 2.457 480 Y HA 0.644 5.194 4.550 0.000 0.000 0.263 480 Y C 0.690 176.653 175.900 0.106 0.000 1.164 480 Y CA -0.698 57.374 58.100 -0.047 0.000 1.274 480 Y CB -0.135 38.066 38.460 -0.431 0.000 1.097 480 Y HN 0.127 nan 8.280 nan 0.000 0.523 481 A N 2.037 124.775 122.820 -0.136 0.000 2.386 481 A HA 0.360 4.680 4.320 0.000 0.000 0.248 481 A C -0.441 177.211 177.584 0.115 0.000 1.082 481 A CA -0.639 51.450 52.037 0.087 0.000 0.789 481 A CB 0.243 19.204 19.000 -0.064 0.000 1.025 481 A HN 0.515 nan 8.150 nan 0.000 0.490 482 L N 2.606 123.925 121.223 0.161 0.000 2.290 482 L HA 0.296 4.636 4.340 0.000 0.000 0.284 482 L C 0.157 177.011 176.870 -0.026 0.000 1.078 482 L CA -0.401 54.390 54.840 -0.082 0.000 0.815 482 L CB 0.412 42.268 42.059 -0.338 0.000 1.162 482 L HN 0.778 nan 8.230 nan 0.000 0.435 483 R N 3.586 124.050 120.500 -0.060 0.000 2.486 483 R HA 0.359 4.699 4.340 0.000 0.000 0.286 483 R C 0.847 177.115 176.300 -0.054 0.000 0.999 483 R CA -0.087 55.987 56.100 -0.043 0.000 0.993 483 R CB 1.198 31.471 30.300 -0.045 0.000 1.084 483 R HN 0.777 nan 8.270 nan 0.000 0.487 484 A N 2.193 124.989 122.820 -0.040 0.000 1.903 484 A HA -0.265 4.055 4.320 0.000 0.000 0.219 484 A C 1.370 178.919 177.584 -0.059 0.000 1.191 484 A CA 2.278 54.286 52.037 -0.047 0.000 0.638 484 A CB -0.576 18.397 19.000 -0.045 0.000 0.823 484 A HN 0.870 nan 8.150 nan 0.000 0.451 485 D N -1.654 118.713 120.400 -0.055 0.000 2.336 485 D HA 0.007 4.647 4.640 0.000 0.000 0.229 485 D C 0.923 177.188 176.300 -0.058 0.000 1.061 485 D CA 0.429 54.397 54.000 -0.054 0.000 0.875 485 D CB -0.001 40.772 40.800 -0.045 0.000 0.904 485 D HN 0.282 nan 8.370 nan 0.000 0.525 486 K N 0.279 120.637 120.400 -0.070 0.000 2.387 486 K HA 0.183 4.503 4.320 0.000 0.000 0.203 486 K C -0.147 176.399 176.600 -0.090 0.000 1.030 486 K CA -0.262 55.975 56.287 -0.083 0.000 1.099 486 K CB 1.661 34.098 32.500 -0.105 0.000 0.863 486 K HN 0.078 nan 8.250 nan 0.000 0.529 487 V N 2.553 122.420 119.914 -0.077 0.000 2.427 487 V HA 0.155 4.275 4.120 0.000 0.000 0.268 487 V C 0.623 176.688 176.094 -0.048 0.000 1.046 487 V CA -0.815 61.443 62.300 -0.070 0.000 0.970 487 V CB 0.503 32.292 31.823 -0.055 0.000 1.001 487 V HN 0.218 nan 8.190 nan 0.000 0.476 488 A N 6.859 129.650 122.820 -0.049 0.000 2.498 488 A HA 0.414 4.734 4.320 0.000 0.000 0.239 488 A C -0.269 177.300 177.584 -0.025 0.000 1.068 488 A CA -0.189 51.825 52.037 -0.038 0.000 0.766 488 A CB -0.055 18.915 19.000 -0.049 0.000 1.003 488 A HN 0.616 nan 8.150 nan 0.000 0.497 489 L N 4.136 125.358 121.223 -0.003 0.000 2.259 489 L HA 0.263 4.603 4.340 0.000 0.000 0.288 489 L C 0.302 177.149 176.870 -0.037 0.000 1.051 489 L CA -0.133 54.727 54.840 0.033 0.000 0.824 489 L CB -0.160 41.962 42.059 0.105 0.000 1.206 489 L HN 0.664 nan 8.230 nan 0.000 0.429 490 N N 1.627 120.211 118.700 -0.194 0.000 2.493 490 N HA 0.488 5.228 4.740 0.000 0.000 0.275 490 N C 0.233 175.668 175.510 -0.124 0.000 1.186 490 N CA -0.245 52.588 53.050 -0.361 0.000 0.978 490 N CB 2.137 40.011 38.487 -1.021 0.000 1.184 490 N HN 0.653 nan 8.380 nan 0.000 0.487 491 G N -0.111 108.735 108.800 0.076 0.000 2.379 491 G HA2 0.254 4.214 3.960 0.000 0.000 0.327 491 G HA3 0.254 4.214 3.960 0.000 0.000 0.327 491 G C -0.949 174.302 174.900 0.584 0.000 1.145 491 G CA -0.619 44.687 45.100 0.342 0.000 0.905 491 G HN 0.553 nan 8.290 nan 0.000 0.466 492 W N 2.605 124.210 121.300 0.507 0.000 2.295 492 W HA 0.375 5.035 4.660 0.000 0.000 0.335 492 W C 0.565 177.278 176.519 0.324 0.000 1.351 492 W CA 0.580 58.117 57.345 0.320 0.000 1.273 492 W CB 0.889 30.353 29.460 0.007 0.000 1.214 492 W HN 0.446 nan 8.180 nan 0.000 0.563 493 S N 3.836 119.513 115.700 -0.037 0.000 2.503 493 S HA 0.127 4.597 4.470 0.000 0.000 0.301 493 S C 0.997 175.191 174.600 -0.678 0.000 1.087 493 S CA -0.484 57.635 58.200 -0.135 0.000 1.042 493 S CB 1.210 64.397 63.200 -0.021 0.000 1.043 493 S HN 0.691 nan 8.310 nan 0.000 0.489 494 E N 2.528 122.591 120.200 -0.227 0.000 2.333 494 E HA -0.127 4.223 4.350 0.000 0.000 0.198 494 E C 1.560 177.967 176.600 -0.322 0.000 1.007 494 E CA 1.478 57.763 56.400 -0.192 0.000 0.845 494 E CB -0.309 29.448 29.700 0.094 0.000 0.766 494 E HN 0.617 nan 8.360 nan 0.000 0.507 495 S N 0.874 116.385 115.700 -0.316 0.000 2.399 495 S HA -0.029 4.441 4.470 0.000 0.000 0.231 495 S C 1.920 176.219 174.600 -0.503 0.000 1.022 495 S CA 0.969 58.987 58.200 -0.302 0.000 0.983 495 S CB -0.719 62.353 63.200 -0.213 0.000 0.803 495 S HN 0.648 nan 8.310 nan 0.000 0.480 496 G N 1.284 109.552 108.800 -0.887 0.000 2.153 496 G HA2 -0.241 3.719 3.960 0.000 0.000 0.252 496 G HA3 -0.241 3.719 3.960 0.000 0.000 0.252 496 G C -0.150 173.992 174.900 -1.263 0.000 0.994 496 G CA 0.493 44.748 45.100 -1.408 0.000 0.698 496 G HN 0.656 nan 8.290 nan 0.000 0.521 497 K N 0.039 119.959 120.400 -0.801 0.000 2.221 497 K HA 0.724 5.044 4.320 0.000 0.000 0.258 497 K C 0.303 176.864 176.600 -0.066 0.000 0.944 497 K CA -0.142 55.919 56.287 -0.378 0.000 0.823 497 K CB 2.436 34.813 32.500 -0.205 0.000 1.113 497 K HN 0.574 nan 8.250 nan 0.000 0.431 498 G N 0.529 109.378 108.800 0.082 0.000 2.663 498 G HA2 0.341 4.301 3.960 0.000 0.000 0.299 498 G HA3 0.341 4.301 3.960 0.000 0.000 0.299 498 G C -1.380 173.611 174.900 0.151 0.000 1.372 498 G CA -0.449 44.804 45.100 0.254 0.000 0.781 498 G HN 0.287 nan 8.290 nan 0.000 0.491 499 T N 1.177 115.840 114.554 0.182 0.000 2.749 499 T HA 0.604 4.954 4.350 0.000 0.000 0.287 499 T C 0.728 175.507 174.700 0.132 0.000 0.970 499 T CA 0.385 62.560 62.100 0.125 0.000 0.980 499 T CB 1.102 70.041 68.868 0.117 0.000 0.924 499 T HN 1.071 nan 8.240 nan 0.000 0.456 500 A N 2.433 125.302 122.820 0.080 0.000 2.561 500 A HA 0.477 4.797 4.320 0.000 0.000 0.234 500 A C 1.647 179.302 177.584 0.118 0.000 1.055 500 A CA 0.584 52.664 52.037 0.071 0.000 0.756 500 A CB -0.764 18.260 19.000 0.040 0.000 0.986 500 A HN 1.570 nan 8.150 nan 0.000 0.505 501 G N 1.997 110.880 108.800 0.138 0.000 2.299 501 G HA2 -0.275 3.685 3.960 0.000 0.000 0.237 501 G HA3 -0.275 3.685 3.960 0.000 0.000 0.237 501 G C 0.326 175.347 174.900 0.202 0.000 1.027 501 G CA 0.339 45.540 45.100 0.169 0.000 0.619 501 G HN 0.979 nan 8.290 nan 0.000 0.513 502 N N 0.657 119.492 118.700 0.225 0.000 2.395 502 N HA 0.384 5.124 4.740 0.000 0.000 0.246 502 N C -0.106 175.617 175.510 0.355 0.000 1.246 502 N CA -0.087 53.107 53.050 0.239 0.000 0.879 502 N CB 0.759 39.380 38.487 0.223 0.000 1.098 502 N HN 0.277 nan 8.380 nan 0.000 0.444 503 L N 2.809 124.175 121.223 0.237 0.000 2.307 503 L HA 0.358 4.698 4.340 0.000 0.000 0.282 503 L C -1.146 175.885 176.870 0.268 0.000 1.051 503 L CA -0.510 54.516 54.840 0.310 0.000 0.804 503 L CB 0.434 42.597 42.059 0.174 0.000 1.197 503 L HN 0.545 nan 8.230 nan 0.000 0.431 504 Y N 3.028 123.543 120.300 0.357 0.000 2.468 504 Y HA 0.379 4.929 4.550 -0.000 0.000 0.342 504 Y C -0.068 175.953 175.900 0.202 0.000 1.021 504 Y CA -0.860 57.439 58.100 0.332 0.000 1.079 504 Y CB 1.669 40.418 38.460 0.482 0.000 1.226 504 Y HN 0.387 nan 8.280 nan 0.000 0.460 505 K N 3.071 123.608 120.400 0.229 0.000 2.307 505 K HA 0.350 4.670 4.320 0.000 0.000 0.263 505 K C -2.032 174.554 176.600 -0.022 0.000 0.973 505 K CA -0.547 55.694 56.287 -0.078 0.000 0.846 505 K CB 0.791 33.280 32.500 -0.019 0.000 1.100 505 K HN 0.859 nan 8.250 nan 0.000 0.438 506 Y N 4.745 124.799 120.300 -0.410 0.000 2.328 506 Y HA 0.304 4.854 4.550 0.000 0.000 0.333 506 Y C -0.718 175.040 175.900 -0.237 0.000 0.958 506 Y CA -1.270 56.608 58.100 -0.371 0.000 1.167 506 Y CB 1.096 39.081 38.460 -0.791 0.000 1.151 506 Y HN 0.621 nan 8.280 nan 0.000 0.470 507 N N 5.761 124.345 118.700 -0.193 0.000 2.448 507 N HA -0.032 4.708 4.740 0.000 0.000 0.250 507 N C -0.904 174.205 175.510 -0.667 0.000 1.136 507 N CA 0.098 52.950 53.050 -0.329 0.000 0.953 507 N CB 0.292 38.691 38.487 -0.147 0.000 1.251 507 N HN 0.589 nan 8.380 nan 0.000 0.502 508 N N 3.672 121.889 118.700 -0.805 0.000 2.406 508 N HA 0.170 4.910 4.740 0.000 0.000 0.251 508 N C -1.750 173.467 175.510 -0.488 0.000 1.069 508 N CA -1.856 50.605 53.050 -0.982 0.000 0.947 508 N CB 1.273 39.364 38.487 -0.659 0.000 1.111 508 N HN 0.234 nan 8.380 nan 0.000 0.497 509 P HA -0.014 nan 4.420 nan 0.000 0.231 509 P C 0.556 177.574 177.300 -0.471 0.000 1.168 509 P CA 0.912 63.728 63.100 -0.473 0.000 0.779 509 P CB 0.082 31.443 31.700 -0.565 0.000 0.844 510 Y N 0.876 121.106 120.300 -0.118 0.000 2.286 510 Y HA -0.047 4.503 4.550 0.000 0.000 0.293 510 Y C 2.287 178.139 175.900 -0.080 0.000 1.124 510 Y CA 1.787 59.840 58.100 -0.078 0.000 1.178 510 Y CB -1.208 37.221 38.460 -0.051 0.000 1.010 510 Y HN 0.055 nan 8.280 nan 0.000 0.536 511 T N -3.872 110.688 114.554 0.010 0.000 3.040 511 T HA 0.101 4.451 4.350 0.000 0.000 0.266 511 T C 0.530 175.181 174.700 -0.083 0.000 1.005 511 T CA -0.016 62.069 62.100 -0.025 0.000 0.906 511 T CB -0.356 68.503 68.868 -0.014 0.000 1.082 511 T HN 0.424 nan 8.240 nan 0.000 0.531 512 N N 1.963 120.588 118.700 -0.125 0.000 2.738 512 N HA -0.173 4.567 4.740 0.000 0.000 0.249 512 N C -0.620 174.806 175.510 -0.140 0.000 1.047 512 N CA 0.925 53.891 53.050 -0.139 0.000 0.707 512 N CB -1.055 37.367 38.487 -0.108 0.000 0.937 512 N HN 0.808 nan 8.380 nan 0.000 0.545 513 T N -2.807 111.654 114.554 -0.156 0.000 2.926 513 T HA 0.524 4.874 4.350 0.000 0.000 0.289 513 T C -0.031 174.596 174.700 -0.123 0.000 1.054 513 T CA -0.597 61.419 62.100 -0.140 0.000 1.015 513 T CB 2.004 70.794 68.868 -0.130 0.000 1.167 513 T HN 0.016 nan 8.240 nan 0.000 0.526 514 T N 2.523 117.051 114.554 -0.044 0.000 2.749 514 T HA 0.491 4.841 4.350 0.000 0.000 0.287 514 T C -1.057 173.640 174.700 -0.006 0.000 0.970 514 T CA -0.553 61.484 62.100 -0.105 0.000 0.980 514 T CB 0.448 69.258 68.868 -0.096 0.000 0.924 514 T HN 0.557 nan 8.240 nan 0.000 0.456 515 D N 2.173 122.463 120.400 -0.184 0.000 2.256 515 D HA 0.346 4.986 4.640 0.000 0.000 0.246 515 D C -0.806 175.185 176.300 -0.514 0.000 1.042 515 D CA -0.294 53.617 54.000 -0.148 0.000 0.841 515 D CB 1.253 42.099 40.800 0.077 0.000 1.223 515 D HN 0.444 nan 8.370 nan 0.000 0.470 516 Y N 0.846 120.905 120.300 -0.402 0.000 2.335 516 Y HA 0.466 5.016 4.550 0.000 0.000 0.338 516 Y C -0.439 175.164 175.900 -0.494 0.000 0.977 516 Y CA -0.769 57.141 58.100 -0.315 0.000 1.114 516 Y CB 1.177 39.480 38.460 -0.262 0.000 1.182 516 Y HN 0.189 nan 8.280 nan 0.000 0.463 517 F N 3.383 123.410 119.950 0.128 0.000 2.551 517 F HA 0.572 5.099 4.527 0.000 0.000 0.316 517 F C -0.422 175.636 175.800 0.431 0.000 1.089 517 F CA -0.997 57.156 58.000 0.256 0.000 0.915 517 F CB 1.445 40.574 39.000 0.215 0.000 1.186 517 F HN 0.216 nan 8.300 nan 0.000 0.456 518 I N 3.830 124.751 120.570 0.585 0.000 2.353 518 I HA 0.230 4.400 4.170 0.000 0.000 0.293 518 I C -0.388 176.033 176.117 0.507 0.000 0.992 518 I CA -0.640 60.956 61.300 0.493 0.000 1.268 518 I CB 1.305 39.480 38.000 0.292 0.000 1.387 518 I HN 0.384 nan 8.210 nan 0.000 0.478 519 L N 7.165 128.617 121.223 0.382 0.000 2.462 519 L HA 0.103 4.443 4.340 0.000 0.000 0.272 519 L C 0.763 177.612 176.870 -0.035 0.000 1.166 519 L CA 0.292 55.077 54.840 -0.093 0.000 0.880 519 L CB 0.578 42.551 42.059 -0.142 0.000 1.142 519 L HN 0.725 nan 8.230 nan 0.000 0.473 520 K N 3.279 123.596 120.400 -0.138 0.000 2.358 520 K HA 0.222 4.542 4.320 0.000 0.000 0.197 520 K C -0.233 176.323 176.600 -0.073 0.000 1.025 520 K CA 0.050 56.309 56.287 -0.047 0.000 1.104 520 K CB 0.669 33.163 32.500 -0.010 0.000 0.855 520 K HN 0.594 nan 8.250 nan 0.000 0.531 521 Q N -1.319 118.401 119.800 -0.135 0.000 2.630 521 Q HA 0.137 4.477 4.340 0.000 0.000 0.295 521 Q C -0.019 175.919 176.000 -0.103 0.000 0.944 521 Q CA -0.337 55.399 55.803 -0.111 0.000 0.766 521 Q CB 1.914 30.567 28.738 -0.142 0.000 1.471 521 Q HN 0.096 nan 8.270 nan 0.000 0.416 522 S N -1.616 114.038 115.700 -0.076 0.000 2.527 522 S HA 0.023 4.493 4.470 0.000 0.000 0.222 522 S C 0.731 175.267 174.600 -0.107 0.000 0.985 522 S CA 0.612 58.776 58.200 -0.059 0.000 0.921 522 S CB -0.119 63.053 63.200 -0.046 0.000 0.772 522 S HN 0.667 nan 8.310 nan 0.000 0.529 523 T N -0.349 114.113 114.554 -0.155 0.000 2.916 523 T HA 0.737 5.087 4.350 0.000 0.000 0.292 523 T C -0.991 173.558 174.700 -0.251 0.000 1.055 523 T CA -0.928 61.015 62.100 -0.261 0.000 1.009 523 T CB 1.722 70.450 68.868 -0.234 0.000 1.118 523 T HN 0.509 nan 8.240 nan 0.000 0.497 524 Y N -1.584 118.506 120.300 -0.350 0.000 2.581 524 Y HA 0.811 5.361 4.550 0.000 0.000 0.337 524 Y C 0.011 175.786 175.900 -0.208 0.000 1.108 524 Y CA -1.332 56.539 58.100 -0.381 0.000 1.033 524 Y CB 0.806 38.875 38.460 -0.651 0.000 1.318 524 Y HN 0.975 nan 8.280 nan 0.000 0.459 525 G N 0.493 109.408 108.800 0.192 0.000 2.782 525 G HA2 0.346 4.306 3.960 0.000 0.000 0.201 525 G HA3 0.346 4.306 3.960 0.000 0.000 0.201 525 G C -1.291 173.977 174.900 0.613 0.000 1.374 525 G CA -1.159 44.070 45.100 0.215 0.000 1.039 525 G HN 0.676 nan 8.290 nan 0.000 0.576 526 Y N -0.377 120.163 120.300 0.399 0.000 2.597 526 Y HA 0.197 4.747 4.550 0.000 0.000 0.336 526 Y C 0.556 176.318 175.900 -0.230 0.000 1.216 526 Y CA -0.396 57.675 58.100 -0.049 0.000 1.463 526 Y CB 0.295 38.662 38.460 -0.155 0.000 1.303 526 Y HN 0.124 nan 8.280 nan 0.000 0.576 527 F N 3.249 122.838 119.950 -0.601 0.000 2.595 527 F HA 0.074 4.601 4.527 0.000 0.000 0.359 527 F C -1.547 173.905 175.800 -0.580 0.000 1.147 527 F CA -2.104 55.192 58.000 -1.174 0.000 1.341 527 F CB -0.578 37.440 39.000 -1.637 0.000 1.104 527 F HN 0.314 nan 8.300 nan 0.000 0.603 528 P HA 0.012 nan 4.420 nan 0.000 0.269 528 P C 0.383 177.755 177.300 0.120 0.000 1.217 528 P CA 0.303 63.395 63.100 -0.014 0.000 0.783 528 P CB 0.518 32.282 31.700 0.107 0.000 0.898 529 T N -0.999 113.618 114.554 0.105 0.000 2.975 529 T HA 0.041 4.391 4.350 0.000 0.000 0.261 529 T C 0.202 174.955 174.700 0.089 0.000 0.984 529 T CA 0.128 62.312 62.100 0.140 0.000 0.911 529 T CB -0.189 68.623 68.868 -0.092 0.000 1.127 529 T HN 0.523 nan 8.240 nan 0.000 0.514 530 D N 0.535 120.957 120.400 0.036 0.000 2.623 530 D HA 0.192 4.832 4.640 0.000 0.000 0.252 530 D C 0.240 176.462 176.300 -0.129 0.000 1.294 530 D CA -0.182 53.801 54.000 -0.028 0.000 0.824 530 D CB -0.051 40.731 40.800 -0.030 0.000 1.070 530 D HN 0.045 nan 8.370 nan 0.000 0.487 531 Q N -0.266 119.409 119.800 -0.209 0.000 2.480 531 Q HA -0.201 4.139 4.340 0.000 0.000 0.265 531 Q C -0.102 175.569 176.000 -0.550 0.000 1.072 531 Q CA 1.146 56.437 55.803 -0.853 0.000 1.018 531 Q CB -2.582 25.415 28.738 -1.236 0.000 1.433 531 Q HN 0.631 nan 8.270 nan 0.000 0.513 532 S N -2.474 113.179 115.700 -0.079 0.000 2.693 532 S HA 0.814 5.284 4.470 0.000 0.000 0.276 532 S C 0.305 175.079 174.600 0.291 0.000 1.192 532 S CA -0.502 57.745 58.200 0.078 0.000 0.994 532 S CB 2.223 65.468 63.200 0.074 0.000 1.012 532 S HN 0.110 nan 8.310 nan 0.000 0.550 533 S N 1.340 117.207 115.700 0.279 0.000 2.664 533 S HA 0.776 5.246 4.470 0.000 0.000 0.304 533 S C -0.401 174.345 174.600 0.244 0.000 1.099 533 S CA -0.828 57.578 58.200 0.343 0.000 1.003 533 S CB 1.105 64.492 63.200 0.312 0.000 1.092 533 S HN 0.977 nan 8.310 nan 0.000 0.525 534 N N -0.677 118.174 118.700 0.251 0.000 3.344 534 N HA 0.532 5.272 4.740 0.000 0.000 0.296 534 N C 0.255 175.848 175.510 0.137 0.000 1.571 534 N CA -0.406 52.747 53.050 0.171 0.000 0.844 534 N CB 0.003 38.585 38.487 0.159 0.000 1.718 534 N HN 0.433 nan 8.380 nan 0.000 0.589 535 A N -1.040 121.829 122.820 0.082 0.000 2.070 535 A HA -0.059 4.261 4.320 0.000 0.000 0.220 535 A C 1.809 179.387 177.584 -0.011 0.000 1.159 535 A CA 2.405 54.466 52.037 0.039 0.000 0.656 535 A CB -1.246 17.767 19.000 0.020 0.000 0.800 535 A HN 0.858 nan 8.150 nan 0.000 0.453 536 T N -4.377 110.149 114.554 -0.046 0.000 3.023 536 T HA 0.116 4.466 4.350 0.000 0.000 0.249 536 T C 0.003 174.486 174.700 -0.361 0.000 1.050 536 T CA -0.049 61.895 62.100 -0.259 0.000 1.088 536 T CB -0.096 68.543 68.868 -0.381 0.000 0.946 536 T HN 0.432 nan 8.240 nan 0.000 0.480 537 W N 1.956 123.303 121.300 0.079 0.000 2.554 537 W HA 0.541 5.201 4.660 -0.000 0.000 0.324 537 W C -0.617 176.100 176.519 0.330 0.000 1.018 537 W CA -0.958 56.476 57.345 0.147 0.000 1.243 537 W CB 1.403 30.834 29.460 -0.049 0.000 1.345 537 W HN 0.104 nan 8.180 nan 0.000 0.441 538 E N 4.216 124.800 120.200 0.639 0.000 2.115 538 E HA 0.189 4.539 4.350 0.000 0.000 0.282 538 E C -1.170 175.759 176.600 0.549 0.000 0.987 538 E CA -0.873 55.827 56.400 0.500 0.000 0.797 538 E CB 0.831 30.712 29.700 0.303 0.000 1.086 538 E HN 0.425 nan 8.360 nan 0.000 0.397 539 F N 5.365 125.483 119.950 0.279 0.000 2.467 539 F HA 0.171 4.698 4.527 -0.000 0.000 0.362 539 F C 0.406 176.117 175.800 -0.147 0.000 1.090 539 F CA -0.359 57.522 58.000 -0.198 0.000 1.202 539 F CB 0.828 39.703 39.000 -0.207 0.000 1.113 539 F HN 0.293 nan 8.300 nan 0.000 0.541 540 V N 3.506 122.828 119.914 -0.987 0.000 2.991 540 V HA 0.726 4.846 4.120 0.000 0.000 0.355 540 V C 0.370 175.937 176.094 -0.878 0.000 1.384 540 V CA 0.176 62.062 62.300 -0.690 0.000 1.171 540 V CB -0.601 31.060 31.823 -0.269 0.000 1.190 540 V HN 1.408 nan 8.190 nan 0.000 0.540 541 G N 0.835 108.596 108.800 -1.730 0.000 2.566 541 G HA2 -0.096 3.864 3.960 0.000 0.000 0.599 541 G HA3 -0.096 3.864 3.960 0.000 0.000 0.599 541 G C -0.265 174.243 174.900 -0.653 0.000 1.292 541 G CA -0.014 44.486 45.100 -1.000 0.000 0.922 541 G HN 0.493 nan 8.290 nan 0.000 0.514 542 H N -0.581 118.499 119.070 0.016 0.000 2.755 542 H HA 0.375 4.931 4.556 0.000 0.000 0.273 542 H C 1.287 176.739 175.328 0.207 0.000 1.055 542 H CA 0.728 56.886 56.048 0.182 0.000 1.191 542 H CB 0.882 30.720 29.762 0.128 0.000 1.536 542 H HN 0.488 nan 8.280 nan 0.000 0.529 543 S N 1.565 117.315 115.700 0.083 0.000 2.410 543 S HA 0.052 4.522 4.470 0.000 0.000 0.304 543 S C 1.370 175.716 174.600 -0.422 0.000 1.095 543 S CA -0.553 57.603 58.200 -0.072 0.000 1.089 543 S CB 1.757 64.913 63.200 -0.073 0.000 0.968 543 S HN 0.416 nan 8.310 nan 0.000 0.480 544 Q N 4.447 123.933 119.800 -0.523 0.000 2.061 544 Q HA -0.099 4.241 4.340 0.000 0.000 0.204 544 Q C 1.842 177.561 176.000 -0.469 0.000 0.984 544 Q CA 2.143 57.433 55.803 -0.854 0.000 0.846 544 Q CB -0.845 27.673 28.738 -0.367 0.000 0.902 544 Q HN 0.952 nan 8.270 nan 0.000 0.421 545 G N 0.899 109.545 108.800 -0.257 0.000 2.459 545 G HA2 -0.290 3.670 3.960 0.000 0.000 0.217 545 G HA3 -0.290 3.670 3.960 0.000 0.000 0.217 545 G C 1.014 175.816 174.900 -0.164 0.000 1.183 545 G CA 1.114 46.114 45.100 -0.166 0.000 0.776 545 G HN 0.422 nan 8.290 nan 0.000 0.552 546 D N 1.042 121.340 120.400 -0.170 0.000 2.144 546 D HA -0.035 4.605 4.640 0.000 0.000 0.199 546 D C 2.810 179.013 176.300 -0.163 0.000 0.984 546 D CA 1.206 55.122 54.000 -0.140 0.000 0.834 546 D CB -0.470 40.254 40.800 -0.126 0.000 0.955 546 D HN 0.322 nan 8.370 nan 0.000 0.465 547 A N 0.894 123.560 122.820 -0.257 0.000 1.902 547 A HA -0.223 4.097 4.320 0.000 0.000 0.217 547 A C 2.155 179.647 177.584 -0.154 0.000 1.181 547 A CA 1.397 53.288 52.037 -0.243 0.000 0.623 547 A CB -0.621 18.132 19.000 -0.412 0.000 0.818 547 A HN 0.194 nan 8.150 nan 0.000 0.443 548 Q N -0.735 118.959 119.800 -0.177 0.000 2.119 548 Q HA -0.183 4.157 4.340 0.000 0.000 0.201 548 Q C 2.168 178.133 176.000 -0.059 0.000 0.972 548 Q CA 1.699 57.441 55.803 -0.102 0.000 0.847 548 Q CB -0.166 28.504 28.738 -0.113 0.000 0.903 548 Q HN 0.749 nan 8.270 nan 0.000 0.433 549 K N 1.014 121.375 120.400 -0.065 0.000 2.057 549 K HA -0.147 4.173 4.320 0.000 0.000 0.207 549 K C 1.994 178.591 176.600 -0.006 0.000 1.049 549 K CA 0.863 57.130 56.287 -0.033 0.000 0.931 549 K CB -0.155 32.321 32.500 -0.039 0.000 0.714 549 K HN 0.159 nan 8.250 nan 0.000 0.440 550 L N 0.777 121.990 121.223 -0.016 0.000 2.012 550 L HA -0.205 4.135 4.340 0.000 0.000 0.210 550 L C 2.283 179.181 176.870 0.047 0.000 1.073 550 L CA 1.406 56.252 54.840 0.010 0.000 0.748 550 L CB -0.258 41.795 42.059 -0.009 0.000 0.891 550 L HN 0.144 nan 8.230 nan 0.000 0.431 551 V N -0.176 119.764 119.914 0.043 0.000 2.343 551 V HA -0.292 3.828 4.120 0.000 0.000 0.247 551 V C 2.709 178.874 176.094 0.119 0.000 1.051 551 V CA 1.726 64.076 62.300 0.084 0.000 1.036 551 V CB -0.883 30.979 31.823 0.065 0.000 0.654 551 V HN 0.551 nan 8.190 nan 0.000 0.451 552 A N -0.047 122.818 122.820 0.076 0.000 1.877 552 A HA -0.248 4.072 4.320 0.000 0.000 0.216 552 A C 2.004 179.693 177.584 0.174 0.000 1.186 552 A CA 2.024 54.123 52.037 0.104 0.000 0.620 552 A CB -0.697 18.326 19.000 0.037 0.000 0.822 552 A HN 0.527 nan 8.150 nan 0.000 0.443 553 D N -0.401 120.068 120.400 0.116 0.000 2.092 553 D HA -0.157 4.483 4.640 0.000 0.000 0.193 553 D C 2.205 178.584 176.300 0.132 0.000 0.994 553 D CA 1.403 55.469 54.000 0.109 0.000 0.828 553 D CB -0.380 40.462 40.800 0.069 0.000 0.963 553 D HN 0.447 nan 8.370 nan 0.000 0.450 554 R N -0.473 120.108 120.500 0.135 0.000 2.073 554 R HA -0.112 4.228 4.340 0.000 0.000 0.234 554 R C 2.376 178.772 176.300 0.160 0.000 1.134 554 R CA 0.830 57.008 56.100 0.131 0.000 0.952 554 R CB -0.608 29.768 30.300 0.127 0.000 0.850 554 R HN 0.196 nan 8.270 nan 0.000 0.433 555 F N 2.512 122.512 119.950 0.083 0.000 2.091 555 F HA -0.233 4.294 4.527 -0.000 0.000 0.299 555 F C 1.651 177.528 175.800 0.128 0.000 1.103 555 F CA 1.623 59.683 58.000 0.101 0.000 1.228 555 F CB -0.178 38.880 39.000 0.096 0.000 0.984 555 F HN -0.031 nan 8.300 nan 0.000 0.477 556 N N -0.082 118.769 118.700 0.252 0.000 2.571 556 N HA -0.083 4.657 4.740 0.000 0.000 0.189 556 N C 1.728 177.307 175.510 0.116 0.000 1.154 556 N CA 1.265 54.438 53.050 0.206 0.000 0.907 556 N CB -0.697 37.940 38.487 0.250 0.000 0.977 556 N HN 0.536 nan 8.380 nan 0.000 0.449 557 T N -2.858 111.739 114.554 0.071 0.000 3.023 557 T HA 0.151 4.501 4.350 0.000 0.000 0.266 557 T C 1.939 176.671 174.700 0.054 0.000 1.093 557 T CA 0.678 62.820 62.100 0.069 0.000 1.129 557 T CB -0.042 68.864 68.868 0.064 0.000 0.899 557 T HN 0.092 nan 8.240 nan 0.000 0.491 558 A N 1.620 124.431 122.820 -0.014 0.000 1.969 558 A HA 0.486 4.806 4.320 0.000 0.000 0.218 558 A C 1.729 179.329 177.584 0.026 0.000 1.169 558 A CA 1.011 53.033 52.037 -0.024 0.000 0.635 558 A CB -1.397 17.504 19.000 -0.166 0.000 0.810 558 A HN 1.510 nan 8.150 nan 0.000 0.445 559 G N -2.565 106.267 108.800 0.054 0.000 2.782 559 G HA2 -0.089 3.871 3.960 0.000 0.000 0.228 559 G HA3 -0.089 3.871 3.960 0.000 0.000 0.228 559 G C -0.495 174.413 174.900 0.014 0.000 1.372 559 G CA 0.041 45.175 45.100 0.057 0.000 0.862 559 G HN 1.273 nan 8.290 nan 0.000 0.547 560 Y N -1.031 119.065 120.300 -0.340 0.000 2.553 560 Y HA 0.757 5.307 4.550 -0.000 0.000 0.347 560 Y C -0.460 175.107 175.900 -0.556 0.000 1.019 560 Y CA -1.126 56.671 58.100 -0.504 0.000 1.032 560 Y CB 1.841 39.552 38.460 -1.249 0.000 1.284 560 Y HN 0.777 nan 8.280 nan 0.000 0.466 561 L N 5.774 126.174 121.223 -1.371 0.000 2.365 561 L HA 0.525 4.865 4.340 0.000 0.000 0.273 561 L C -1.988 174.352 176.870 -0.883 0.000 1.000 561 L CA -0.892 53.243 54.840 -1.175 0.000 0.819 561 L CB 1.663 42.689 42.059 -1.722 0.000 1.284 561 L HN 0.721 nan 8.230 nan 0.000 0.418 562 F N 3.534 123.137 119.950 -0.578 0.000 2.499 562 F HA 0.398 4.925 4.527 -0.000 0.000 0.333 562 F C 0.489 176.115 175.800 -0.290 0.000 1.138 562 F CA -0.482 57.312 58.000 -0.343 0.000 0.945 562 F CB 0.932 39.870 39.000 -0.103 0.000 1.181 562 F HN 0.492 nan 8.300 nan 0.000 0.435 563 H N 3.489 122.203 119.070 -0.593 0.000 2.551 563 H HA 0.248 4.804 4.556 0.000 0.000 0.266 563 H C 1.220 176.075 175.328 -0.789 0.000 0.964 563 H CA 0.741 56.460 56.048 -0.549 0.000 1.180 563 H CB 0.311 29.857 29.762 -0.361 0.000 1.408 563 H HN 0.701 nan 8.280 nan 0.000 0.563 564 G N -0.006 107.845 108.800 -1.581 0.000 2.574 564 G HA2 0.372 4.332 3.960 0.000 0.000 0.248 564 G HA3 0.372 4.332 3.960 0.000 0.000 0.248 564 G C -0.476 173.857 174.900 -0.945 0.000 1.422 564 G CA -0.469 43.852 45.100 -1.298 0.000 1.051 564 G HN 0.181 nan 8.290 nan 0.000 0.560 565 Q N -0.869 118.648 119.800 -0.472 0.000 2.375 565 Q HA 0.525 4.865 4.340 0.000 0.000 0.271 565 Q C -1.207 174.853 176.000 0.099 0.000 1.074 565 Q CA -0.513 55.189 55.803 -0.167 0.000 0.808 565 Q CB 2.842 31.374 28.738 -0.344 0.000 1.327 565 Q HN 0.268 nan 8.270 nan 0.000 0.441 566 L N 2.611 123.939 121.223 0.176 0.000 2.287 566 L HA 0.544 4.884 4.340 0.000 0.000 0.287 566 L C -0.373 176.556 176.870 0.099 0.000 1.022 566 L CA -0.588 54.354 54.840 0.170 0.000 0.814 566 L CB 0.676 42.903 42.059 0.280 0.000 1.217 566 L HN 0.356 nan 8.230 nan 0.000 0.420 567 K N 2.601 123.041 120.400 0.067 0.000 2.371 567 K HA 0.791 5.111 4.320 0.000 0.000 0.251 567 K C 0.168 176.801 176.600 0.055 0.000 0.934 567 K CA -0.369 55.943 56.287 0.042 0.000 0.798 567 K CB 2.645 35.146 32.500 0.003 0.000 1.204 567 K HN 0.723 nan 8.250 nan 0.000 0.427 568 G N 2.403 111.232 108.800 0.048 0.000 2.488 568 G HA2 -0.289 3.671 3.960 0.000 0.000 0.237 568 G HA3 -0.289 3.671 3.960 0.000 0.000 0.237 568 G C -0.457 174.478 174.900 0.057 0.000 1.209 568 G CA -0.195 44.932 45.100 0.045 0.000 0.929 568 G HN 0.595 nan 8.290 nan 0.000 0.578 569 N N 1.307 120.037 118.700 0.051 0.000 3.188 569 N HA 0.520 5.260 4.740 0.000 0.000 0.279 569 N C -0.404 175.138 175.510 0.053 0.000 1.213 569 N CA 0.042 53.121 53.050 0.049 0.000 1.138 569 N CB -0.774 37.735 38.487 0.038 0.000 1.417 569 N HN 0.552 nan 8.380 nan 0.000 0.526 570 L N 1.013 122.277 121.223 0.068 0.000 2.381 570 L HA 0.507 4.847 4.340 0.000 0.000 0.268 570 L C -0.234 176.672 176.870 0.060 0.000 0.997 570 L CA -1.072 53.806 54.840 0.063 0.000 0.818 570 L CB 1.843 43.949 42.059 0.078 0.000 1.310 570 L HN 0.188 nan 8.230 nan 0.000 0.416 571 N N 1.258 119.971 118.700 0.021 0.000 2.489 571 N HA 0.612 5.352 4.740 0.000 0.000 0.284 571 N C -1.006 174.457 175.510 -0.079 0.000 1.158 571 N CA -0.421 52.617 53.050 -0.019 0.000 0.965 571 N CB 2.603 41.066 38.487 -0.041 0.000 1.195 571 N HN 0.146 nan 8.380 nan 0.000 0.506 572 V N 0.943 120.732 119.914 -0.208 0.000 2.623 572 V HA 0.275 4.395 4.120 0.000 0.000 0.304 572 V C -1.091 174.647 176.094 -0.593 0.000 1.054 572 V CA -0.841 61.222 62.300 -0.395 0.000 0.882 572 V CB 2.053 33.572 31.823 -0.508 0.000 1.002 572 V HN 0.503 nan 8.190 nan 0.000 0.424 573 D N 3.234 123.385 120.400 -0.415 0.000 2.308 573 D HA 0.405 5.045 4.640 0.000 0.000 0.242 573 D C -0.440 175.673 176.300 -0.311 0.000 1.059 573 D CA -0.211 53.583 54.000 -0.343 0.000 0.830 573 D CB 1.818 42.502 40.800 -0.194 0.000 1.161 573 D HN 0.525 nan 8.370 nan 0.000 0.494 574 N N 1.793 120.327 118.700 -0.277 0.000 2.790 574 N HA 0.142 4.882 4.740 0.000 0.000 0.256 574 N C -1.174 174.277 175.510 -0.099 0.000 1.409 574 N CA -0.452 52.508 53.050 -0.149 0.000 0.799 574 N CB 0.414 38.886 38.487 -0.025 0.000 1.170 574 N HN 0.098 nan 8.380 nan 0.000 0.507 575 R N 2.509 122.939 120.500 -0.117 0.000 2.287 575 R HA 0.344 4.684 4.340 0.000 0.000 0.327 575 R C -0.247 175.994 176.300 -0.099 0.000 1.109 575 R CA -0.513 55.536 56.100 -0.085 0.000 1.013 575 R CB 0.836 31.090 30.300 -0.077 0.000 1.126 575 R HN 0.353 nan 8.270 nan 0.000 0.503 576 L N 4.434 125.609 121.223 -0.080 0.000 2.418 576 L HA 0.335 4.675 4.340 0.000 0.000 0.265 576 L C -1.872 174.970 176.870 -0.047 0.000 1.143 576 L CA -2.116 52.671 54.840 -0.088 0.000 0.809 576 L CB 0.458 42.488 42.059 -0.048 0.000 1.124 576 L HN 0.219 nan 8.230 nan 0.000 0.456 577 P HA 0.019 nan 4.420 nan 0.000 0.269 577 P C -0.881 176.419 177.300 0.001 0.000 1.209 577 P CA -0.234 62.855 63.100 -0.018 0.000 0.776 577 P CB 0.325 32.019 31.700 -0.010 0.000 0.876 578 E N 1.214 121.415 120.200 0.003 0.000 2.452 578 E HA 0.192 4.542 4.350 0.000 0.000 0.261 578 E C 1.153 177.765 176.600 0.021 0.000 0.987 578 E CA 0.975 57.382 56.400 0.012 0.000 0.926 578 E CB -0.240 29.464 29.700 0.007 0.000 0.934 578 E HN 0.808 nan 8.360 nan 0.000 0.452 579 G N 1.845 110.663 108.800 0.030 0.000 2.176 579 G HA2 -0.265 3.695 3.960 0.000 0.000 0.232 579 G HA3 -0.265 3.695 3.960 0.000 0.000 0.232 579 G C 0.252 175.186 174.900 0.057 0.000 0.986 579 G CA -0.065 45.058 45.100 0.039 0.000 0.643 579 G HN 0.427 nan 8.290 nan 0.000 0.522 580 V N 2.189 122.140 119.914 0.062 0.000 2.508 580 V HA 0.457 4.577 4.120 0.000 0.000 0.281 580 V C 1.722 177.869 176.094 0.088 0.000 1.041 580 V CA 1.192 63.545 62.300 0.089 0.000 1.016 580 V CB 1.169 33.047 31.823 0.092 0.000 0.984 580 V HN 0.712 nan 8.190 nan 0.000 0.478 581 T N 1.068 115.679 114.554 0.095 0.000 3.001 581 T HA 0.220 4.570 4.350 0.000 0.000 0.251 581 T C 0.916 175.683 174.700 0.111 0.000 1.040 581 T CA 0.412 62.567 62.100 0.092 0.000 0.985 581 T CB 0.228 69.142 68.868 0.077 0.000 1.011 581 T HN 0.735 nan 8.240 nan 0.000 0.509 582 G N 0.996 109.873 108.800 0.127 0.000 2.572 582 G HA2 0.563 4.523 3.960 0.000 0.000 0.261 582 G HA3 0.563 4.523 3.960 0.000 0.000 0.261 582 G C -0.246 174.738 174.900 0.139 0.000 1.197 582 G CA -0.390 44.791 45.100 0.135 0.000 0.870 582 G HN 0.662 nan 8.290 nan 0.000 0.548 583 A N 0.569 123.439 122.820 0.083 0.000 2.290 583 A HA 0.569 4.889 4.320 0.000 0.000 0.310 583 A C 0.121 177.681 177.584 -0.039 0.000 1.202 583 A CA -0.607 51.438 52.037 0.014 0.000 0.837 583 A CB 0.798 19.741 19.000 -0.096 0.000 1.139 583 A HN 0.717 nan 8.150 nan 0.000 0.509 584 L N 3.593 124.866 121.223 0.084 0.000 2.410 584 L HA 0.320 4.660 4.340 0.000 0.000 0.273 584 L C -0.917 175.888 176.870 -0.108 0.000 1.144 584 L CA -0.046 54.830 54.840 0.059 0.000 0.863 584 L CB 0.696 42.904 42.059 0.248 0.000 1.140 584 L HN 0.470 nan 8.230 nan 0.000 0.463 585 V N 6.647 126.409 119.914 -0.253 0.000 2.448 585 V HA 0.415 4.535 4.120 0.000 0.000 0.295 585 V C 0.030 176.024 176.094 -0.167 0.000 1.025 585 V CA -0.440 61.658 62.300 -0.337 0.000 0.859 585 V CB 1.760 33.187 31.823 -0.661 0.000 0.988 585 V HN 0.757 nan 8.190 nan 0.000 0.431 586 M N 4.601 124.166 119.600 -0.058 0.000 2.085 586 M HA 0.389 4.869 4.480 0.000 0.000 0.309 586 M C -0.473 175.938 176.300 0.184 0.000 0.947 586 M CA -0.498 54.857 55.300 0.091 0.000 0.918 586 M CB 1.670 34.406 32.600 0.227 0.000 1.504 586 M HN 0.806 nan 8.290 nan 0.000 0.420 587 D N 0.972 121.471 120.400 0.164 0.000 2.479 587 D HA 0.193 4.833 4.640 0.000 0.000 0.218 587 D C 0.800 177.220 176.300 0.199 0.000 1.177 587 D CA -0.162 53.999 54.000 0.269 0.000 0.830 587 D CB 0.240 41.204 40.800 0.273 0.000 1.014 587 D HN 0.548 nan 8.370 nan 0.000 0.503 588 G N 0.321 109.212 108.800 0.152 0.000 3.229 588 G HA2 0.609 4.569 3.960 0.000 0.000 0.165 588 G HA3 0.609 4.569 3.960 0.000 0.000 0.165 588 G C -0.329 174.584 174.900 0.021 0.000 1.753 588 G CA 0.111 45.273 45.100 0.102 0.000 1.054 588 G HN 0.519 nan 8.290 nan 0.000 0.544 589 A N -2.413 120.332 122.820 -0.125 0.000 2.606 589 A HA 0.830 5.150 4.320 0.000 0.000 0.293 589 A C -0.965 176.460 177.584 -0.264 0.000 1.082 589 A CA 0.160 51.865 52.037 -0.554 0.000 0.685 589 A CB 1.204 20.032 19.000 -0.288 0.000 1.284 589 A HN 2.010 nan 8.150 nan 0.000 0.408 590 A N 0.457 123.086 122.820 -0.319 0.000 2.422 590 A HA 0.763 5.083 4.320 0.000 0.000 0.302 590 A C -1.685 175.818 177.584 -0.135 0.000 1.041 590 A CA -0.259 51.771 52.037 -0.012 0.000 0.708 590 A CB 1.628 20.820 19.000 0.319 0.000 1.257 590 A HN 0.816 nan 8.150 nan 0.000 0.414 591 D N 1.996 122.371 120.400 -0.042 0.000 2.328 591 D HA 0.445 5.085 4.640 0.000 0.000 0.243 591 D C -0.788 175.533 176.300 0.036 0.000 1.324 591 D CA -0.006 53.963 54.000 -0.051 0.000 0.966 591 D CB 0.461 41.219 40.800 -0.070 0.000 1.324 591 D HN 0.673 nan 8.370 nan 0.000 0.549 592 I N -0.445 120.188 120.570 0.105 0.000 2.740 592 I HA 0.561 4.731 4.170 0.000 0.000 0.303 592 I C 0.842 177.042 176.117 0.139 0.000 1.044 592 I CA -0.803 60.590 61.300 0.153 0.000 1.064 592 I CB 2.312 40.464 38.000 0.252 0.000 1.249 592 I HN 0.093 nan 8.210 nan 0.000 0.433 593 S N 2.142 117.905 115.700 0.104 0.000 2.528 593 S HA 0.317 4.787 4.470 0.000 0.000 0.219 593 S C 0.836 175.492 174.600 0.094 0.000 0.985 593 S CA 0.193 58.442 58.200 0.082 0.000 0.914 593 S CB -0.191 63.041 63.200 0.054 0.000 0.776 593 S HN 0.984 nan 8.310 nan 0.000 0.526 594 G N 0.916 109.784 108.800 0.112 0.000 2.782 594 G HA2 0.509 4.469 3.960 0.000 0.000 0.201 594 G HA3 0.509 4.469 3.960 0.000 0.000 0.201 594 G C -0.585 174.390 174.900 0.126 0.000 1.374 594 G CA -0.028 45.130 45.100 0.095 0.000 1.039 594 G HN 0.397 nan 8.290 nan 0.000 0.576 595 T N -1.673 112.922 114.554 0.069 0.000 2.859 595 T HA 0.592 4.942 4.350 0.000 0.000 0.281 595 T C -1.292 173.393 174.700 -0.025 0.000 1.005 595 T CA -0.670 61.458 62.100 0.047 0.000 1.025 595 T CB 1.081 69.961 68.868 0.020 0.000 0.977 595 T HN 0.252 nan 8.240 nan 0.000 0.458 596 F N 3.433 123.222 119.950 -0.269 0.000 2.391 596 F HA 0.515 5.042 4.527 -0.000 0.000 0.359 596 F C 0.012 175.628 175.800 -0.307 0.000 1.122 596 F CA -0.371 57.381 58.000 -0.413 0.000 1.120 596 F CB 1.173 39.575 39.000 -0.996 0.000 1.142 596 F HN 0.588 nan 8.300 nan 0.000 0.483 597 T N 6.013 120.406 114.554 -0.267 0.000 2.786 597 T HA 0.298 4.648 4.350 0.000 0.000 0.283 597 T C -0.732 173.914 174.700 -0.090 0.000 0.992 597 T CA -0.621 61.406 62.100 -0.121 0.000 0.954 597 T CB 1.270 70.051 68.868 -0.145 0.000 0.934 597 T HN 0.481 nan 8.240 nan 0.000 0.440 598 Q N 2.111 121.938 119.800 0.045 0.000 2.365 598 Q HA 0.496 4.836 4.340 0.000 0.000 0.269 598 Q C -0.947 175.072 176.000 0.032 0.000 1.061 598 Q CA -0.551 55.299 55.803 0.079 0.000 0.816 598 Q CB 2.997 31.839 28.738 0.173 0.000 1.325 598 Q HN 0.720 nan 8.270 nan 0.000 0.446 599 E N 2.737 122.951 120.200 0.024 0.000 2.290 599 E HA 0.298 4.648 4.350 0.000 0.000 0.274 599 E C -0.934 175.680 176.600 0.024 0.000 0.889 599 E CA -0.423 55.985 56.400 0.014 0.000 0.760 599 E CB 0.898 30.591 29.700 -0.011 0.000 1.206 599 E HN 0.673 nan 8.360 nan 0.000 0.419 600 N N 1.339 120.058 118.700 0.033 0.000 6.420 600 N HA -0.242 4.498 4.740 0.000 0.000 0.404 600 N C 0.432 175.982 175.510 0.067 0.000 0.965 600 N CA 1.480 54.555 53.050 0.042 0.000 1.925 600 N CB -1.128 37.376 38.487 0.028 0.000 0.731 600 N HN 1.083 nan 8.380 nan 0.000 0.511 601 G N 0.023 108.867 108.800 0.074 0.000 2.601 601 G HA2 -0.297 3.663 3.960 0.000 0.000 0.252 601 G HA3 -0.297 3.663 3.960 0.000 0.000 0.252 601 G C -0.575 174.393 174.900 0.113 0.000 1.294 601 G CA 0.761 45.921 45.100 0.100 0.000 0.912 601 G HN 0.870 nan 8.290 nan 0.000 0.574 602 R N -1.290 119.289 120.500 0.133 0.000 2.807 602 R HA 0.715 5.055 4.340 0.000 0.000 0.276 602 R C -1.100 175.288 176.300 0.147 0.000 0.979 602 R CA -0.873 55.307 56.100 0.134 0.000 0.928 602 R CB 1.893 32.271 30.300 0.129 0.000 1.191 602 R HN 0.718 nan 8.270 nan 0.000 0.471 603 L N 0.496 121.818 121.223 0.165 0.000 2.409 603 L HA 0.516 4.856 4.340 0.000 0.000 0.272 603 L C -1.375 175.527 176.870 0.052 0.000 0.980 603 L CA 0.120 55.062 54.840 0.171 0.000 0.826 603 L CB 2.537 44.774 42.059 0.297 0.000 1.268 603 L HN 0.541 nan 8.230 nan 0.000 0.407 604 T N 6.091 120.614 114.554 -0.052 0.000 2.840 604 T HA 0.596 4.946 4.350 0.000 0.000 0.287 604 T C -0.689 173.900 174.700 -0.185 0.000 0.991 604 T CA -0.330 61.680 62.100 -0.150 0.000 0.964 604 T CB 0.990 69.893 68.868 0.059 0.000 0.954 604 T HN 0.443 nan 8.240 nan 0.000 0.438 605 L N 4.536 125.569 121.223 -0.317 0.000 2.307 605 L HA 0.701 5.041 4.340 0.000 0.000 0.284 605 L C 0.106 176.814 176.870 -0.271 0.000 1.023 605 L CA -0.818 53.703 54.840 -0.531 0.000 0.810 605 L CB 1.311 42.801 42.059 -0.947 0.000 1.231 605 L HN 0.705 nan 8.230 nan 0.000 0.423 606 Q N 1.812 121.598 119.800 -0.024 0.000 2.590 606 Q HA 0.671 5.011 4.340 0.000 0.000 0.295 606 Q C -0.446 175.791 176.000 0.396 0.000 0.973 606 Q CA -1.019 54.904 55.803 0.200 0.000 0.768 606 Q CB 1.598 30.478 28.738 0.237 0.000 1.479 606 Q HN 0.529 nan 8.270 nan 0.000 0.419 607 G N -0.254 108.780 108.800 0.389 0.000 2.653 607 G HA2 0.223 4.183 3.960 0.000 0.000 0.265 607 G HA3 0.223 4.183 3.960 0.000 0.000 0.265 607 G C -1.050 174.152 174.900 0.502 0.000 1.237 607 G CA -0.199 45.159 45.100 0.430 0.000 0.946 607 G HN 0.631 nan 8.290 nan 0.000 0.522 608 H N 0.505 119.702 119.070 0.212 0.000 2.658 608 H HA 0.354 4.910 4.556 0.000 0.000 0.337 608 H C -2.501 172.601 175.328 -0.376 0.000 1.009 608 H CA -1.720 54.281 56.048 -0.079 0.000 1.231 608 H CB 2.647 32.328 29.762 -0.135 0.000 1.508 608 H HN 0.212 nan 8.280 nan 0.000 0.517 609 P HA -0.058 nan 4.420 nan 0.000 0.268 609 P C 0.143 176.841 177.300 -1.002 0.000 1.204 609 P CA -0.143 62.006 63.100 -1.586 0.000 0.768 609 P CB 1.222 31.960 31.700 -1.603 0.000 0.842 610 V N 5.449 125.021 119.914 -0.569 0.000 2.694 610 V HA -0.073 4.047 4.120 0.000 0.000 0.306 610 V C 1.270 177.181 176.094 -0.305 0.000 1.054 610 V CA 0.392 62.490 62.300 -0.337 0.000 1.161 610 V CB -0.347 31.344 31.823 -0.221 0.000 0.916 610 V HN 0.383 nan 8.190 nan 0.000 0.490 611 I N 5.555 125.980 120.570 -0.240 0.000 2.474 611 I HA 0.269 4.439 4.170 0.000 0.000 0.287 611 I C 0.383 176.372 176.117 -0.214 0.000 1.048 611 I CA 0.055 61.267 61.300 -0.147 0.000 1.383 611 I CB 0.254 38.224 38.000 -0.051 0.000 1.412 611 I HN 0.621 nan 8.210 nan 0.000 0.531 612 H N 3.745 122.814 119.070 -0.002 0.000 2.731 612 H HA 0.530 5.086 4.556 0.000 0.000 0.368 612 H C -0.343 175.049 175.328 0.108 0.000 1.168 612 H CA -0.850 55.225 56.048 0.046 0.000 1.181 612 H CB 2.045 31.823 29.762 0.027 0.000 1.743 612 H HN 0.657 nan 8.280 nan 0.000 0.547 613 A N 1.675 124.622 122.820 0.212 0.000 2.425 613 A HA 0.362 4.682 4.320 0.000 0.000 0.242 613 A C -0.838 176.856 177.584 0.183 0.000 1.077 613 A CA 0.177 52.287 52.037 0.122 0.000 0.781 613 A CB -0.367 18.665 19.000 0.054 0.000 1.020 613 A HN 0.627 nan 8.150 nan 0.000 0.494 614 Y N -0.742 119.565 120.300 0.012 0.000 2.677 614 Y HA 0.778 5.328 4.550 0.000 0.000 0.334 614 Y C -0.696 175.162 175.900 -0.071 0.000 1.154 614 Y CA -1.477 56.607 58.100 -0.026 0.000 1.070 614 Y CB 0.962 39.414 38.460 -0.013 0.000 1.294 614 Y HN 0.655 nan 8.280 nan 0.000 0.475 615 N N -1.144 117.586 118.700 0.049 0.000 2.774 615 N HA 0.512 5.252 4.740 0.000 0.000 0.264 615 N C -1.429 174.117 175.510 0.060 0.000 1.415 615 N CA -0.776 52.205 53.050 -0.115 0.000 0.815 615 N CB 1.877 40.145 38.487 -0.364 0.000 1.514 615 N HN 0.891 nan 8.380 nan 0.000 0.523 616 T N -1.476 113.082 114.554 0.006 0.000 2.855 616 T HA -0.012 4.338 4.350 0.000 0.000 0.314 616 T C 1.110 175.819 174.700 0.016 0.000 1.077 616 T CA -0.040 62.090 62.100 0.050 0.000 1.095 616 T CB 0.815 69.712 68.868 0.049 0.000 0.987 616 T HN 0.472 nan 8.240 nan 0.000 0.546 617 Q N 1.211 121.028 119.800 0.029 0.000 2.112 617 Q HA -0.127 4.213 4.340 0.000 0.000 0.206 617 Q C 2.398 178.400 176.000 0.004 0.000 0.987 617 Q CA 2.344 58.156 55.803 0.015 0.000 0.858 617 Q CB -0.916 27.834 28.738 0.019 0.000 0.905 617 Q HN 0.849 nan 8.270 nan 0.000 0.420 618 S N -0.600 115.104 115.700 0.008 0.000 2.370 618 S HA -0.158 4.312 4.470 0.000 0.000 0.226 618 S C 1.869 176.460 174.600 -0.015 0.000 1.033 618 S CA 1.286 59.489 58.200 0.006 0.000 1.011 618 S CB -0.696 62.517 63.200 0.021 0.000 0.852 618 S HN 0.457 nan 8.310 nan 0.000 0.457 619 V N 1.327 121.214 119.914 -0.045 0.000 2.788 619 V HA 0.177 4.297 4.120 0.000 0.000 0.251 619 V C 2.215 178.227 176.094 -0.137 0.000 1.068 619 V CA 1.282 63.514 62.300 -0.114 0.000 1.090 619 V CB -0.855 30.818 31.823 -0.250 0.000 0.710 619 V HN 0.407 nan 8.190 nan 0.000 0.467 620 A N 0.338 123.102 122.820 -0.094 0.000 1.902 620 A HA -0.209 4.111 4.320 0.000 0.000 0.217 620 A C 1.904 179.470 177.584 -0.031 0.000 1.181 620 A CA 2.088 54.093 52.037 -0.054 0.000 0.623 620 A CB -0.867 18.124 19.000 -0.014 0.000 0.818 620 A HN 0.604 nan 8.150 nan 0.000 0.443 621 D N -0.117 120.273 120.400 -0.017 0.000 2.104 621 D HA -0.134 4.506 4.640 0.000 0.000 0.194 621 D C 1.887 178.173 176.300 -0.022 0.000 0.994 621 D CA 1.411 55.410 54.000 -0.002 0.000 0.830 621 D CB -0.335 40.469 40.800 0.006 0.000 0.959 621 D HN 0.470 nan 8.370 nan 0.000 0.452 622 K N -0.116 120.261 120.400 -0.040 0.000 2.113 622 K HA -0.135 4.185 4.320 0.000 0.000 0.208 622 K C 2.162 178.709 176.600 -0.087 0.000 1.047 622 K CA 0.678 56.933 56.287 -0.052 0.000 0.928 622 K CB -0.121 32.349 32.500 -0.050 0.000 0.716 622 K HN 0.114 nan 8.250 nan 0.000 0.446 623 L N -0.162 120.990 121.223 -0.118 0.000 2.162 623 L HA -0.021 4.319 4.340 0.000 0.000 0.205 623 L C 2.314 179.085 176.870 -0.166 0.000 1.086 623 L CA 0.803 55.548 54.840 -0.158 0.000 0.778 623 L CB -0.272 41.673 42.059 -0.190 0.000 0.928 623 L HN 0.098 nan 8.230 nan 0.000 0.446 624 A N -0.143 122.590 122.820 -0.146 0.000 1.908 624 A HA -0.242 4.078 4.320 0.000 0.000 0.218 624 A C 2.467 179.962 177.584 -0.147 0.000 1.181 624 A CA 1.812 53.710 52.037 -0.231 0.000 0.627 624 A CB -0.957 18.085 19.000 0.069 0.000 0.818 624 A HN 0.403 nan 8.150 nan 0.000 0.445 625 A N 0.156 122.943 122.820 -0.055 0.000 1.986 625 A HA -0.120 4.200 4.320 0.000 0.000 0.220 625 A C 2.326 179.884 177.584 -0.044 0.000 1.171 625 A CA 2.272 54.294 52.037 -0.025 0.000 0.640 625 A CB -0.847 18.144 19.000 -0.016 0.000 0.811 625 A HN 1.157 nan 8.150 nan 0.000 0.451 626 S N -2.001 113.652 115.700 -0.079 0.000 2.631 626 S HA 0.386 4.856 4.470 0.000 0.000 0.217 626 S C 1.343 175.890 174.600 -0.088 0.000 0.958 626 S CA 1.028 59.188 58.200 -0.067 0.000 0.920 626 S CB -0.351 62.809 63.200 -0.067 0.000 0.776 626 S HN 1.952 nan 8.310 nan 0.000 0.517 627 G N 0.930 109.634 108.800 -0.160 0.000 2.176 627 G HA2 -0.231 3.729 3.960 0.000 0.000 0.253 627 G HA3 -0.231 3.729 3.960 0.000 0.000 0.253 627 G C -0.267 174.415 174.900 -0.363 0.000 0.979 627 G CA 0.144 45.120 45.100 -0.206 0.000 0.641 627 G HN 0.645 nan 8.290 nan 0.000 0.530 628 D N 0.366 120.552 120.400 -0.356 0.000 2.396 628 D HA 0.419 5.059 4.640 0.000 0.000 0.225 628 D C 0.793 176.906 176.300 -0.313 0.000 1.121 628 D CA -0.545 53.316 54.000 -0.231 0.000 0.853 628 D CB 0.066 40.823 40.800 -0.072 0.000 1.043 628 D HN 0.390 nan 8.370 nan 0.000 0.500 629 H N 1.798 120.889 119.070 0.036 0.000 2.505 629 H HA 0.070 4.626 4.556 0.000 0.000 0.289 629 H C 1.493 176.837 175.328 0.026 0.000 1.052 629 H CA 0.122 56.184 56.048 0.024 0.000 1.156 629 H CB 0.308 30.080 29.762 0.016 0.000 1.507 629 H HN 0.362 nan 8.280 nan 0.000 0.548 630 S N -0.313 115.448 115.700 0.101 0.000 2.496 630 S HA 0.010 4.480 4.470 0.000 0.000 0.224 630 S C 1.010 175.650 174.600 0.066 0.000 0.996 630 S CA -0.248 58.002 58.200 0.083 0.000 0.927 630 S CB -0.331 62.923 63.200 0.090 0.000 0.774 630 S HN -0.034 nan 8.310 nan 0.000 0.524 631 V N 3.799 123.755 119.914 0.070 0.000 2.479 631 V HA 0.188 4.308 4.120 0.000 0.000 0.281 631 V C 0.228 176.343 176.094 0.035 0.000 1.031 631 V CA -0.412 61.920 62.300 0.053 0.000 1.038 631 V CB 0.165 32.005 31.823 0.028 0.000 0.981 631 V HN 0.346 nan 8.190 nan 0.000 0.478 632 L N 4.684 125.930 121.223 0.039 0.000 2.439 632 L HA 0.359 4.699 4.340 0.000 0.000 0.261 632 L C 1.217 178.138 176.870 0.085 0.000 1.153 632 L CA 0.680 55.548 54.840 0.046 0.000 0.808 632 L CB 0.965 43.057 42.059 0.056 0.000 1.126 632 L HN 0.682 nan 8.230 nan 0.000 0.460 633 T N 0.617 115.196 114.554 0.043 0.000 3.091 633 T HA 0.245 4.595 4.350 0.000 0.000 0.277 633 T C -0.054 174.561 174.700 -0.142 0.000 0.996 633 T CA 0.138 62.258 62.100 0.033 0.000 0.897 633 T CB 0.009 68.880 68.868 0.006 0.000 1.109 633 T HN 0.546 nan 8.240 nan 0.000 0.534 634 Q N 0.502 120.152 119.800 -0.250 0.000 2.403 634 Q HA 0.261 4.601 4.340 0.000 0.000 0.267 634 Q C -2.388 173.413 176.000 -0.331 0.000 0.991 634 Q CA -1.605 53.925 55.803 -0.454 0.000 0.906 634 Q CB 2.155 30.759 28.738 -0.222 0.000 1.422 634 Q HN -0.095 nan 8.270 nan 0.000 0.400 635 P HA -0.081 nan 4.420 nan 0.000 0.217 635 P C 0.169 177.430 177.300 -0.065 0.000 1.150 635 P CA 1.219 64.305 63.100 -0.023 0.000 0.832 635 P CB 0.216 31.927 31.700 0.018 0.000 0.787 636 T N -3.614 110.830 114.554 -0.184 0.000 2.900 636 T HA 0.629 4.979 4.350 0.000 0.000 0.303 636 T C -0.594 173.907 174.700 -0.331 0.000 1.142 636 T CA -0.653 61.281 62.100 -0.277 0.000 1.007 636 T CB 2.206 70.826 68.868 -0.413 0.000 1.156 636 T HN 0.125 nan 8.240 nan 0.000 0.490 637 S N 0.442 115.934 115.700 -0.347 0.000 2.651 637 S HA 0.651 5.121 4.470 0.000 0.000 0.279 637 S C 0.008 174.437 174.600 -0.285 0.000 1.148 637 S CA -1.007 56.995 58.200 -0.330 0.000 0.837 637 S CB 0.788 63.923 63.200 -0.107 0.000 1.138 637 S HN 0.494 nan 8.310 nan 0.000 0.478 638 F N 1.562 121.556 119.950 0.073 0.000 2.234 638 F HA 0.032 4.559 4.527 0.000 0.000 0.299 638 F C 2.816 178.756 175.800 0.234 0.000 1.087 638 F CA 1.212 59.332 58.000 0.200 0.000 1.340 638 F CB -0.339 38.722 39.000 0.101 0.000 1.031 638 F HN 0.752 nan 8.300 nan 0.000 0.500 639 S N -0.184 115.693 115.700 0.294 0.000 2.548 639 S HA 0.007 4.477 4.470 0.000 0.000 0.215 639 S C 0.822 175.535 174.600 0.188 0.000 0.976 639 S CA -0.622 57.701 58.200 0.204 0.000 0.908 639 S CB -0.875 62.400 63.200 0.125 0.000 0.781 639 S HN 0.515 nan 8.310 nan 0.000 0.519 640 Q N 1.162 121.078 119.800 0.194 0.000 2.474 640 Q HA 0.187 4.527 4.340 0.000 0.000 0.256 640 Q C 0.751 176.928 176.000 0.295 0.000 1.048 640 Q CA 0.199 56.092 55.803 0.150 0.000 0.922 640 Q CB 0.374 29.125 28.738 0.021 0.000 1.288 640 Q HN 0.356 nan 8.270 nan 0.000 0.484 641 E N 1.159 121.480 120.200 0.202 0.000 2.431 641 E HA -0.019 4.331 4.350 0.000 0.000 0.200 641 E C -0.712 176.061 176.600 0.288 0.000 0.995 641 E CA 0.348 56.877 56.400 0.215 0.000 0.915 641 E CB 0.322 30.082 29.700 0.100 0.000 0.930 641 E HN 0.697 nan 8.360 nan 0.000 0.496 642 D N 0.644 121.189 120.400 0.242 0.000 2.396 642 D HA 0.159 4.799 4.640 0.000 0.000 0.225 642 D C -1.058 175.324 176.300 0.137 0.000 1.121 642 D CA -0.408 53.699 54.000 0.179 0.000 0.853 642 D CB -0.181 40.682 40.800 0.105 0.000 1.043 642 D HN 0.055 nan 8.370 nan 0.000 0.500 643 W N 0.978 122.254 121.300 -0.040 0.000 2.689 643 W HA 0.346 5.006 4.660 0.000 0.000 0.340 643 W C 0.224 176.710 176.519 -0.056 0.000 1.060 643 W CA -0.906 56.403 57.345 -0.059 0.000 1.218 643 W CB 1.348 30.785 29.460 -0.039 0.000 1.410 643 W HN 0.156 nan 8.180 nan 0.000 0.528 644 E N 2.180 122.452 120.200 0.120 0.000 2.197 644 E HA 0.215 4.565 4.350 0.000 0.000 0.281 644 E C -0.323 176.323 176.600 0.077 0.000 0.995 644 E CA -0.749 55.673 56.400 0.036 0.000 0.808 644 E CB 0.799 30.462 29.700 -0.063 0.000 1.093 644 E HN 0.192 nan 8.360 nan 0.000 0.394 645 N N 3.072 121.791 118.700 0.031 0.000 2.520 645 N HA 0.185 4.925 4.740 0.000 0.000 0.273 645 N C -0.482 175.015 175.510 -0.022 0.000 1.155 645 N CA -0.060 53.012 53.050 0.037 0.000 0.967 645 N CB 0.714 39.211 38.487 0.017 0.000 1.092 645 N HN 0.204 nan 8.380 nan 0.000 0.457 646 R N 0.397 120.908 120.500 0.018 0.000 2.599 646 R HA 0.360 4.700 4.340 0.000 0.000 0.295 646 R C -0.498 175.724 176.300 -0.129 0.000 0.963 646 R CA -0.640 55.406 56.100 -0.091 0.000 0.883 646 R CB 1.561 31.861 30.300 -0.001 0.000 1.171 646 R HN 0.459 nan 8.270 nan 0.000 0.450 647 S N 2.665 118.164 115.700 -0.335 0.000 2.454 647 S HA 0.710 5.180 4.470 0.000 0.000 0.306 647 S C -1.212 173.054 174.600 -0.556 0.000 1.100 647 S CA -0.514 57.531 58.200 -0.258 0.000 1.087 647 S CB 0.361 63.459 63.200 -0.169 0.000 1.019 647 S HN 0.369 nan 8.310 nan 0.000 0.480 648 F N 2.678 122.551 119.950 -0.129 0.000 2.445 648 F HA 0.397 4.924 4.527 0.000 0.000 0.348 648 F C 0.407 175.877 175.800 -0.550 0.000 1.125 648 F CA -0.574 57.238 58.000 -0.313 0.000 0.983 648 F CB 2.246 41.120 39.000 -0.211 0.000 1.198 648 F HN 0.358 nan 8.300 nan 0.000 0.436 649 T N 4.327 118.565 114.554 -0.526 0.000 2.812 649 T HA 0.707 5.057 4.350 0.000 0.000 0.282 649 T C -0.955 173.407 174.700 -0.564 0.000 0.990 649 T CA -0.603 61.222 62.100 -0.458 0.000 0.960 649 T CB 0.780 69.522 68.868 -0.210 0.000 0.948 649 T HN 0.248 nan 8.240 nan 0.000 0.438 650 F N 0.452 120.455 119.950 0.089 0.000 2.588 650 F HA 0.357 4.884 4.527 0.000 0.000 0.310 650 F C 1.203 177.041 175.800 0.064 0.000 1.082 650 F CA -1.287 56.772 58.000 0.098 0.000 0.929 650 F CB 1.447 40.526 39.000 0.132 0.000 1.254 650 F HN 0.451 nan 8.300 nan 0.000 0.455 651 D N 0.816 121.364 120.400 0.247 0.000 2.133 651 D HA -0.147 4.493 4.640 0.000 0.000 0.195 651 D C 0.390 176.791 176.300 0.167 0.000 0.997 651 D CA 1.923 56.016 54.000 0.154 0.000 0.840 651 D CB 0.322 41.189 40.800 0.112 0.000 0.947 651 D HN 0.487 nan 8.370 nan 0.000 0.452 652 R N -1.303 119.319 120.500 0.203 0.000 2.604 652 R HA 0.441 4.781 4.340 0.000 0.000 0.270 652 R C -2.093 174.265 176.300 0.097 0.000 1.052 652 R CA -0.824 55.355 56.100 0.132 0.000 0.902 652 R CB 1.083 31.426 30.300 0.072 0.000 1.233 652 R HN 0.050 nan 8.270 nan 0.000 0.455 653 L N 2.893 124.142 121.223 0.043 0.000 2.324 653 L HA 0.474 4.814 4.340 0.000 0.000 0.274 653 L C -0.966 175.851 176.870 -0.088 0.000 1.012 653 L CA 0.133 54.906 54.840 -0.112 0.000 0.859 653 L CB 1.605 43.550 42.059 -0.190 0.000 1.224 653 L HN 0.550 nan 8.230 nan 0.000 0.429 654 S N 6.002 121.666 115.700 -0.059 0.000 2.465 654 S HA 0.675 5.145 4.470 0.000 0.000 0.279 654 S C -0.543 174.028 174.600 -0.047 0.000 1.201 654 S CA -0.493 57.681 58.200 -0.043 0.000 1.053 654 S CB 0.009 63.191 63.200 -0.030 0.000 0.953 654 S HN 0.589 nan 8.310 nan 0.000 0.488 655 L N 4.754 125.947 121.223 -0.051 0.000 2.346 655 L HA 0.666 5.006 4.340 0.000 0.000 0.276 655 L C -0.251 176.615 176.870 -0.007 0.000 1.006 655 L CA -0.712 54.109 54.840 -0.032 0.000 0.817 655 L CB 1.976 44.002 42.059 -0.055 0.000 1.272 655 L HN 0.583 nan 8.230 nan 0.000 0.421 656 K N 2.950 123.355 120.400 0.008 0.000 2.581 656 K HA 0.280 4.600 4.320 0.000 0.000 0.249 656 K C -0.776 175.836 176.600 0.020 0.000 0.966 656 K CA -0.576 55.717 56.287 0.009 0.000 0.811 656 K CB 1.027 33.527 32.500 0.000 0.000 1.223 656 K HN 0.660 nan 8.250 nan 0.000 0.438 657 N N 1.171 119.884 118.700 0.022 0.000 2.716 657 N HA -0.196 4.544 4.740 0.000 0.000 0.250 657 N C -0.942 174.593 175.510 0.043 0.000 1.033 657 N CA 1.666 54.733 53.050 0.028 0.000 0.727 657 N CB -1.149 37.351 38.487 0.021 0.000 0.950 657 N HN 0.719 nan 8.380 nan 0.000 0.541 658 T N -1.081 113.507 114.554 0.056 0.000 2.906 658 T HA 0.356 4.706 4.350 0.000 0.000 0.295 658 T C -1.623 173.139 174.700 0.103 0.000 1.075 658 T CA -0.764 61.386 62.100 0.083 0.000 1.005 658 T CB 2.096 71.023 68.868 0.098 0.000 1.136 658 T HN 0.070 nan 8.240 nan 0.000 0.498 659 D N 2.795 123.265 120.400 0.118 0.000 2.473 659 D HA 0.281 4.921 4.640 0.000 0.000 0.226 659 D C -1.088 175.306 176.300 0.156 0.000 1.089 659 D CA -0.593 53.474 54.000 0.112 0.000 0.883 659 D CB -0.213 40.635 40.800 0.080 0.000 1.029 659 D HN 0.341 nan 8.370 nan 0.000 0.517 660 F N 2.766 122.727 119.950 0.017 0.000 2.404 660 F HA 0.671 5.198 4.527 -0.000 0.000 0.339 660 F C 0.184 175.987 175.800 0.005 0.000 1.105 660 F CA -0.348 57.657 58.000 0.008 0.000 1.087 660 F CB 1.569 40.566 39.000 -0.005 0.000 1.143 660 F HN 0.279 nan 8.300 nan 0.000 0.491 661 G N 6.360 114.538 108.800 -1.037 0.000 2.643 661 G HA2 0.525 4.485 3.960 0.000 0.000 0.305 661 G HA3 0.525 4.485 3.960 0.000 0.000 0.305 661 G C -2.413 171.881 174.900 -1.011 0.000 1.387 661 G CA -0.747 43.870 45.100 -0.806 0.000 0.982 661 G HN 0.761 nan 8.290 nan 0.000 0.501 662 L N 3.164 124.007 121.223 -0.633 0.000 2.265 662 L HA 0.769 5.109 4.340 0.000 0.000 0.289 662 L C 0.724 177.512 176.870 -0.138 0.000 1.033 662 L CA -0.142 54.519 54.840 -0.298 0.000 0.814 662 L CB 0.968 43.004 42.059 -0.040 0.000 1.203 662 L HN 0.598 nan 8.230 nan 0.000 0.423 663 G N 4.331 113.079 108.800 -0.086 0.000 2.557 663 G HA2 0.436 4.396 3.960 0.000 0.000 0.302 663 G HA3 0.436 4.396 3.960 0.000 0.000 0.302 663 G C -0.696 174.188 174.900 -0.027 0.000 1.311 663 G CA -1.047 44.029 45.100 -0.041 0.000 1.030 663 G HN 0.851 nan 8.290 nan 0.000 0.509 664 R N -1.263 119.174 120.500 -0.105 0.000 2.734 664 R HA 0.156 4.496 4.340 0.000 0.000 0.266 664 R C -0.120 176.127 176.300 -0.088 0.000 1.044 664 R CA 0.522 56.514 56.100 -0.180 0.000 1.128 664 R CB -0.134 29.910 30.300 -0.428 0.000 1.010 664 R HN 0.601 nan 8.270 nan 0.000 0.461 665 N N -1.328 117.338 118.700 -0.057 0.000 2.776 665 N HA -0.216 4.524 4.740 0.000 0.000 0.249 665 N C -1.481 174.106 175.510 0.128 0.000 1.111 665 N CA 1.053 54.126 53.050 0.038 0.000 0.711 665 N CB -0.729 37.814 38.487 0.094 0.000 1.065 665 N HN 0.843 nan 8.380 nan 0.000 0.556 666 A N -0.716 122.184 122.820 0.134 0.000 2.475 666 A HA 0.815 5.135 4.320 0.000 0.000 0.301 666 A C -0.186 177.508 177.584 0.185 0.000 1.059 666 A CA -0.389 51.785 52.037 0.228 0.000 0.710 666 A CB 1.645 20.841 19.000 0.327 0.000 1.288 666 A HN 0.025 nan 8.150 nan 0.000 0.408 667 T N 1.719 116.393 114.554 0.200 0.000 2.807 667 T HA 0.535 4.885 4.350 0.000 0.000 0.279 667 T C -1.041 173.778 174.700 0.198 0.000 0.993 667 T CA -0.217 61.969 62.100 0.143 0.000 0.970 667 T CB 1.104 70.001 68.868 0.048 0.000 0.950 667 T HN 0.628 nan 8.240 nan 0.000 0.441 668 L N 4.272 125.606 121.223 0.186 0.000 2.298 668 L HA 0.525 4.865 4.340 0.000 0.000 0.284 668 L C -0.834 175.991 176.870 -0.075 0.000 1.013 668 L CA -0.394 54.556 54.840 0.184 0.000 0.824 668 L CB 0.802 43.111 42.059 0.416 0.000 1.221 668 L HN 0.496 nan 8.230 nan 0.000 0.418 669 N N 4.084 122.704 118.700 -0.132 0.000 2.558 669 N HA 0.469 5.209 4.740 0.000 0.000 0.242 669 N C -0.718 174.706 175.510 -0.143 0.000 0.979 669 N CA -0.217 52.689 53.050 -0.241 0.000 0.931 669 N CB 1.783 40.158 38.487 -0.187 0.000 1.122 669 N HN 0.660 nan 8.380 nan 0.000 0.508 670 T N -0.280 114.195 114.554 -0.131 0.000 2.700 670 T HA 0.265 4.615 4.350 0.000 0.000 0.307 670 T C -1.306 173.466 174.700 0.121 0.000 1.580 670 T CA -0.315 61.831 62.100 0.077 0.000 0.992 670 T CB 1.094 70.145 68.868 0.304 0.000 1.577 670 T HN 0.186 nan 8.240 nan 0.000 0.496 671 T N 2.554 117.199 114.554 0.152 0.000 2.728 671 T HA 0.557 4.907 4.350 0.000 0.000 0.296 671 T C 0.056 174.856 174.700 0.167 0.000 0.940 671 T CA -0.249 61.951 62.100 0.167 0.000 1.013 671 T CB -0.169 68.762 68.868 0.105 0.000 0.912 671 T HN 0.376 nan 8.240 nan 0.000 0.484 672 I N 3.576 124.255 120.570 0.182 0.000 2.365 672 I HA 0.227 4.397 4.170 0.000 0.000 0.291 672 I C 0.546 176.688 176.117 0.041 0.000 1.004 672 I CA -0.453 60.891 61.300 0.073 0.000 1.311 672 I CB 0.911 38.929 38.000 0.030 0.000 1.401 672 I HN 0.390 nan 8.210 nan 0.000 0.491 673 Q N 6.299 126.101 119.800 0.004 0.000 2.454 673 Q HA 0.541 4.881 4.340 0.000 0.000 0.255 673 Q C -0.809 175.182 176.000 -0.015 0.000 1.034 673 Q CA -0.551 55.254 55.803 0.003 0.000 0.736 673 Q CB 2.127 30.867 28.738 0.005 0.000 1.210 673 Q HN 0.744 nan 8.270 nan 0.000 0.500 674 A N 2.472 125.286 122.820 -0.011 0.000 2.292 674 A HA 0.463 4.783 4.320 0.000 0.000 0.319 674 A C -0.702 176.881 177.584 -0.002 0.000 1.206 674 A CA -0.446 51.584 52.037 -0.011 0.000 0.835 674 A CB 0.825 19.821 19.000 -0.006 0.000 1.164 674 A HN 0.528 nan 8.150 nan 0.000 0.505 675 D N 2.063 122.463 120.400 -0.000 0.000 2.549 675 D HA 0.233 4.873 4.640 0.000 0.000 0.251 675 D C 0.019 176.323 176.300 0.007 0.000 1.153 675 D CA -0.151 53.850 54.000 0.002 0.000 0.861 675 D CB 0.633 41.432 40.800 -0.001 0.000 1.207 675 D HN 0.590 nan 8.370 nan 0.000 0.543 676 N N 2.088 120.793 118.700 0.007 0.000 2.714 676 N HA -0.218 4.522 4.740 0.000 0.000 0.252 676 N C -1.544 173.977 175.510 0.019 0.000 1.014 676 N CA 1.094 54.151 53.050 0.011 0.000 0.735 676 N CB -0.744 37.748 38.487 0.009 0.000 0.924 676 N HN 0.221 nan 8.380 nan 0.000 0.540 677 S N -0.882 114.832 115.700 0.023 0.000 2.570 677 S HA 0.678 5.148 4.470 0.000 0.000 0.286 677 S C -0.429 174.197 174.600 0.044 0.000 1.099 677 S CA -0.379 57.845 58.200 0.040 0.000 0.913 677 S CB 1.806 65.034 63.200 0.046 0.000 1.085 677 S HN 0.468 nan 8.310 nan 0.000 0.480 678 S N 0.478 116.212 115.700 0.058 0.000 2.541 678 S HA 0.708 5.178 4.470 0.000 0.000 0.283 678 S C -0.361 174.300 174.600 0.102 0.000 1.196 678 S CA -0.741 57.491 58.200 0.054 0.000 1.062 678 S CB 1.298 64.519 63.200 0.034 0.000 1.009 678 S HN 0.915 nan 8.310 nan 0.000 0.502 679 V N 1.919 121.888 119.914 0.092 0.000 2.443 679 V HA 0.708 4.828 4.120 0.000 0.000 0.293 679 V C -0.885 175.250 176.094 0.069 0.000 1.021 679 V CA -0.142 62.261 62.300 0.171 0.000 0.848 679 V CB 1.454 33.406 31.823 0.214 0.000 0.998 679 V HN 1.016 nan 8.190 nan 0.000 0.424 680 T N 8.729 123.296 114.554 0.022 0.000 2.809 680 T HA 0.552 4.902 4.350 0.000 0.000 0.296 680 T C -0.763 173.893 174.700 -0.074 0.000 1.015 680 T CA -0.298 61.772 62.100 -0.049 0.000 0.954 680 T CB 0.940 69.762 68.868 -0.076 0.000 0.950 680 T HN 0.491 nan 8.240 nan 0.000 0.450 681 L N 3.288 124.492 121.223 -0.031 0.000 2.259 681 L HA 0.610 4.950 4.340 0.000 0.000 0.288 681 L C 1.094 177.968 176.870 0.006 0.000 1.051 681 L CA 0.015 54.865 54.840 0.016 0.000 0.824 681 L CB -0.039 42.064 42.059 0.073 0.000 1.206 681 L HN 1.019 nan 8.230 nan 0.000 0.429 682 G N 2.121 110.911 108.800 -0.016 0.000 2.970 682 G HA2 -0.170 3.790 3.960 0.000 0.000 0.249 682 G HA3 -0.170 3.790 3.960 0.000 0.000 0.249 682 G C -0.449 174.412 174.900 -0.065 0.000 1.113 682 G CA -0.605 44.474 45.100 -0.034 0.000 1.119 682 G HN 0.536 nan 8.290 nan 0.000 0.552 683 D N 0.622 120.971 120.400 -0.086 0.000 2.274 683 D HA 0.528 5.168 4.640 0.000 0.000 0.239 683 D C 1.701 177.945 176.300 -0.093 0.000 1.104 683 D CA 0.163 54.105 54.000 -0.098 0.000 0.840 683 D CB 1.261 41.983 40.800 -0.130 0.000 1.100 683 D HN 0.346 nan 8.370 nan 0.000 0.477 684 S N 3.439 119.081 115.700 -0.097 0.000 2.489 684 S HA -0.044 4.426 4.470 0.000 0.000 0.228 684 S C 0.734 175.258 174.600 -0.128 0.000 0.995 684 S CA 0.025 58.160 58.200 -0.108 0.000 0.934 684 S CB -0.012 63.124 63.200 -0.107 0.000 0.771 684 S HN 0.364 nan 8.310 nan 0.000 0.522 685 R N 2.126 122.544 120.500 -0.137 0.000 2.272 685 R HA 0.508 4.848 4.340 0.000 0.000 0.334 685 R C -0.025 176.166 176.300 -0.182 0.000 1.117 685 R CA -0.118 55.858 56.100 -0.207 0.000 0.966 685 R CB 0.637 30.818 30.300 -0.199 0.000 1.049 685 R HN 0.374 nan 8.270 nan 0.000 0.477 686 V N -1.013 118.791 119.914 -0.184 0.000 3.145 686 V HA 0.747 4.867 4.120 0.000 0.000 0.311 686 V C -0.736 175.338 176.094 -0.034 0.000 1.238 686 V CA -1.166 61.167 62.300 0.055 0.000 1.066 686 V CB 1.594 33.587 31.823 0.284 0.000 1.144 686 V HN 0.392 nan 8.190 nan 0.000 0.465 687 F N 0.503 120.675 119.950 0.369 0.000 2.588 687 F HA 0.838 5.365 4.527 0.000 0.000 0.314 687 F C -0.068 175.807 175.800 0.126 0.000 1.069 687 F CA -0.700 57.494 58.000 0.323 0.000 0.931 687 F CB 2.012 41.091 39.000 0.132 0.000 1.260 687 F HN 0.775 nan 8.300 nan 0.000 0.465 688 I N -1.398 119.257 120.570 0.142 0.000 3.067 688 I HA 0.727 4.897 4.170 0.000 0.000 0.312 688 I C -1.466 174.674 176.117 0.039 0.000 1.073 688 I CA -0.858 60.365 61.300 -0.129 0.000 1.016 688 I CB 2.197 39.855 38.000 -0.570 0.000 1.227 688 I HN 0.401 nan 8.210 nan 0.000 0.456 689 D N 2.580 123.001 120.400 0.035 0.000 2.414 689 D HA 0.271 4.911 4.640 0.000 0.000 0.232 689 D C 0.392 176.715 176.300 0.038 0.000 1.070 689 D CA -0.526 53.544 54.000 0.117 0.000 0.839 689 D CB 1.469 42.437 40.800 0.280 0.000 1.079 689 D HN 0.419 nan 8.370 nan 0.000 0.521 690 K N 2.663 123.080 120.400 0.029 0.000 2.360 690 K HA -0.117 4.203 4.320 0.000 0.000 0.201 690 K C 0.720 177.290 176.600 -0.050 0.000 1.046 690 K CA 0.522 56.781 56.287 -0.047 0.000 0.945 690 K CB -0.000 32.485 32.500 -0.024 0.000 0.750 690 K HN 0.336 nan 8.250 nan 0.000 0.464 691 N N 1.423 120.154 118.700 0.051 0.000 2.275 691 N HA -0.032 4.708 4.740 0.000 0.000 0.236 691 N C -0.896 174.691 175.510 0.129 0.000 1.154 691 N CA -0.147 52.958 53.050 0.093 0.000 0.866 691 N CB 0.245 38.802 38.487 0.117 0.000 1.093 691 N HN -0.084 nan 8.380 nan 0.000 0.515 692 D N -0.150 120.305 120.400 0.093 0.000 2.487 692 D HA 0.221 4.861 4.640 0.000 0.000 0.243 692 D C 1.331 177.667 176.300 0.059 0.000 1.154 692 D CA 1.798 55.828 54.000 0.051 0.000 0.876 692 D CB 0.400 41.202 40.800 0.004 0.000 1.161 692 D HN 0.504 nan 8.370 nan 0.000 0.478 693 G N 3.676 112.494 108.800 0.031 0.000 2.199 693 G HA2 -0.271 3.689 3.960 0.000 0.000 0.254 693 G HA3 -0.271 3.689 3.960 0.000 0.000 0.254 693 G C 0.922 175.903 174.900 0.134 0.000 0.982 693 G CA 0.089 45.240 45.100 0.084 0.000 0.632 693 G HN 0.519 nan 8.290 nan 0.000 0.529 694 Q N 0.394 120.281 119.800 0.145 0.000 2.282 694 Q HA 0.466 4.806 4.340 0.000 0.000 0.206 694 Q C 1.331 177.415 176.000 0.140 0.000 0.878 694 Q CA 1.297 57.189 55.803 0.147 0.000 0.944 694 Q CB 0.862 29.700 28.738 0.167 0.000 1.100 694 Q HN 1.775 nan 8.270 nan 0.000 0.509 695 G N -0.012 108.881 108.800 0.155 0.000 2.293 695 G HA2 -0.194 3.766 3.960 0.000 0.000 0.282 695 G HA3 -0.194 3.766 3.960 0.000 0.000 0.282 695 G C 0.484 175.499 174.900 0.191 0.000 1.299 695 G CA -0.018 45.182 45.100 0.166 0.000 1.018 695 G HN 0.019 nan 8.290 nan 0.000 0.478 696 T N -0.940 113.734 114.554 0.200 0.000 2.985 696 T HA 0.475 4.825 4.350 0.000 0.000 0.266 696 T C 1.539 176.391 174.700 0.252 0.000 1.076 696 T CA 1.988 64.236 62.100 0.246 0.000 1.135 696 T CB -0.303 68.717 68.868 0.254 0.000 0.890 696 T HN 2.137 nan 8.240 nan 0.000 0.480 697 A N 2.032 124.950 122.820 0.164 0.000 2.498 697 A HA 0.516 4.836 4.320 0.000 0.000 0.239 697 A C -0.080 177.590 177.584 0.144 0.000 1.068 697 A CA -0.566 51.513 52.037 0.069 0.000 0.766 697 A CB -0.556 18.461 19.000 0.028 0.000 1.003 697 A HN 0.710 nan 8.150 nan 0.000 0.497 698 F N -0.439 119.531 119.950 0.034 0.000 2.588 698 F HA 0.787 5.314 4.527 -0.000 0.000 0.314 698 F C -0.239 175.556 175.800 -0.008 0.000 1.069 698 F CA -0.832 57.177 58.000 0.014 0.000 0.931 698 F CB 1.655 40.622 39.000 -0.056 0.000 1.260 698 F HN 0.379 nan 8.300 nan 0.000 0.465 699 T N 2.490 117.181 114.554 0.228 0.000 2.892 699 T HA 0.461 4.811 4.350 0.000 0.000 0.311 699 T C -0.633 174.203 174.700 0.227 0.000 1.033 699 T CA -0.474 61.722 62.100 0.162 0.000 0.991 699 T CB 0.964 69.864 68.868 0.054 0.000 0.981 699 T HN 0.806 nan 8.240 nan 0.000 0.457 700 L N 2.904 124.299 121.223 0.287 0.000 2.410 700 L HA 0.374 4.714 4.340 0.000 0.000 0.273 700 L C 0.525 177.542 176.870 0.246 0.000 1.152 700 L CA 0.055 55.035 54.840 0.234 0.000 0.855 700 L CB 0.765 42.931 42.059 0.179 0.000 1.129 700 L HN 0.748 nan 8.230 nan 0.000 0.463 701 E N 3.977 124.362 120.200 0.309 0.000 2.241 701 E HA 0.201 4.551 4.350 0.000 0.000 0.263 701 E C -1.138 175.705 176.600 0.405 0.000 0.882 701 E CA -0.644 55.943 56.400 0.311 0.000 0.769 701 E CB 1.631 31.485 29.700 0.257 0.000 1.185 701 E HN 0.556 nan 8.360 nan 0.000 0.415 702 E N 2.639 122.932 120.200 0.154 0.000 2.301 702 E HA 0.558 4.908 4.350 0.000 0.000 0.275 702 E C -0.493 175.864 176.600 -0.405 0.000 1.030 702 E CA -0.267 55.930 56.400 -0.339 0.000 0.852 702 E CB 1.160 30.560 29.700 -0.499 0.000 1.060 702 E HN 0.631 nan 8.360 nan 0.000 0.401 703 G N 1.551 109.832 108.800 -0.866 0.000 2.782 703 G HA2 0.360 4.320 3.960 0.000 0.000 0.304 703 G HA3 0.360 4.320 3.960 0.000 0.000 0.304 703 G C -1.218 173.117 174.900 -0.941 0.000 1.315 703 G CA -0.534 43.688 45.100 -1.463 0.000 0.791 703 G HN 0.451 nan 8.290 nan 0.000 0.519 704 T N 0.313 114.411 114.554 -0.761 0.000 2.823 704 T HA 0.674 5.024 4.350 0.000 0.000 0.279 704 T C -0.628 173.972 174.700 -0.167 0.000 0.998 704 T CA -0.318 61.572 62.100 -0.350 0.000 0.994 704 T CB 1.453 70.175 68.868 -0.243 0.000 0.960 704 T HN 0.615 nan 8.240 nan 0.000 0.448 705 S N 2.263 117.926 115.700 -0.062 0.000 2.706 705 S HA 0.506 4.976 4.470 0.000 0.000 0.270 705 S C -0.967 173.558 174.600 -0.125 0.000 1.163 705 S CA -0.589 57.603 58.200 -0.013 0.000 1.042 705 S CB 0.597 63.876 63.200 0.132 0.000 1.079 705 S HN 0.475 nan 8.310 nan 0.000 0.474 706 V N 4.132 123.973 119.914 -0.120 0.000 2.394 706 V HA 0.684 4.804 4.120 0.000 0.000 0.282 706 V C 0.690 176.688 176.094 -0.160 0.000 1.031 706 V CA -0.805 61.416 62.300 -0.131 0.000 0.881 706 V CB 1.212 32.979 31.823 -0.094 0.000 0.982 706 V HN 1.009 nan 8.190 nan 0.000 0.451 707 A N 3.608 126.320 122.820 -0.181 0.000 2.451 707 A HA 0.470 4.790 4.320 0.000 0.000 0.266 707 A C 1.175 178.693 177.584 -0.110 0.000 1.119 707 A CA 0.501 52.433 52.037 -0.176 0.000 0.786 707 A CB 0.110 19.008 19.000 -0.170 0.000 1.061 707 A HN 1.074 nan 8.150 nan 0.000 0.503 708 T N 0.341 114.838 114.554 -0.095 0.000 3.026 708 T HA 0.189 4.539 4.350 0.000 0.000 0.245 708 T C 0.685 175.353 174.700 -0.052 0.000 1.004 708 T CA 0.232 62.294 62.100 -0.064 0.000 1.069 708 T CB -0.153 68.683 68.868 -0.053 0.000 1.005 708 T HN 0.556 nan 8.240 nan 0.000 0.472 709 K N 1.994 122.360 120.400 -0.057 0.000 2.237 709 K HA 0.217 4.537 4.320 0.000 0.000 0.270 709 K C 0.293 176.867 176.600 -0.043 0.000 1.015 709 K CA -0.298 55.963 56.287 -0.043 0.000 0.949 709 K CB 0.820 33.296 32.500 -0.039 0.000 0.976 709 K HN 0.118 nan 8.250 nan 0.000 0.472 710 D N 1.739 122.121 120.400 -0.029 0.000 2.178 710 D HA -0.129 4.511 4.640 0.000 0.000 0.202 710 D C 1.528 177.814 176.300 -0.022 0.000 0.974 710 D CA 1.026 55.013 54.000 -0.023 0.000 0.841 710 D CB 0.154 40.945 40.800 -0.014 0.000 0.953 710 D HN 0.650 nan 8.370 nan 0.000 0.478 711 A N 0.877 123.684 122.820 -0.022 0.000 2.121 711 A HA -0.130 4.190 4.320 0.000 0.000 0.218 711 A C 1.572 179.140 177.584 -0.026 0.000 1.154 711 A CA 1.104 53.131 52.037 -0.017 0.000 0.679 711 A CB 0.052 19.045 19.000 -0.011 0.000 0.795 711 A HN 0.017 nan 8.150 nan 0.000 0.458 712 D N -0.279 120.091 120.400 -0.051 0.000 2.366 712 D HA 0.064 4.704 4.640 0.000 0.000 0.205 712 D C 0.246 176.489 176.300 -0.096 0.000 1.022 712 D CA 0.346 54.289 54.000 -0.096 0.000 0.868 712 D CB 0.076 40.776 40.800 -0.166 0.000 0.953 712 D HN 0.381 nan 8.370 nan 0.000 0.514 713 K N 1.586 121.950 120.400 -0.060 0.000 2.436 713 K HA 0.109 4.429 4.320 0.000 0.000 0.275 713 K C 0.716 177.311 176.600 -0.008 0.000 0.999 713 K CA -0.132 56.131 56.287 -0.041 0.000 0.980 713 K CB 0.775 33.264 32.500 -0.018 0.000 0.919 713 K HN -0.024 nan 8.250 nan 0.000 0.484 714 S N 0.820 116.523 115.700 0.006 0.000 2.584 714 S HA 0.240 4.710 4.470 0.000 0.000 0.270 714 S C 0.083 174.737 174.600 0.090 0.000 1.346 714 S CA -0.979 57.254 58.200 0.054 0.000 1.018 714 S CB 0.851 64.089 63.200 0.062 0.000 0.899 714 S HN 0.250 nan 8.310 nan 0.000 0.542 715 V N 2.304 122.287 119.914 0.115 0.000 2.735 715 V HA 0.625 4.745 4.120 0.000 0.000 0.310 715 V C -0.896 175.313 176.094 0.191 0.000 1.061 715 V CA -0.802 61.572 62.300 0.123 0.000 0.913 715 V CB 1.521 33.376 31.823 0.052 0.000 1.005 715 V HN 0.901 nan 8.190 nan 0.000 0.428 716 F N 4.216 124.194 119.950 0.047 0.000 2.507 716 F HA 0.650 5.177 4.527 0.000 0.000 0.325 716 F C -0.332 175.382 175.800 -0.143 0.000 1.116 716 F CA -0.360 57.644 58.000 0.007 0.000 0.930 716 F CB 1.669 40.733 39.000 0.107 0.000 1.146 716 F HN 0.465 nan 8.300 nan 0.000 0.447 717 N N 4.408 122.452 118.700 -1.093 0.000 2.399 717 N HA 0.700 5.440 4.740 0.000 0.000 0.284 717 N C -0.072 174.792 175.510 -1.077 0.000 1.025 717 N CA -0.041 52.491 53.050 -0.863 0.000 0.885 717 N CB 1.883 40.113 38.487 -0.428 0.000 1.339 717 N HN 1.047 nan 8.380 nan 0.000 0.487 718 G N 0.896 109.288 108.800 -0.681 0.000 2.249 718 G HA2 -0.018 3.942 3.960 0.000 0.000 0.089 718 G HA3 -0.018 3.942 3.960 0.000 0.000 0.089 718 G C -1.464 173.449 174.900 0.022 0.000 1.206 718 G CA -0.423 44.505 45.100 -0.287 0.000 1.190 718 G HN 0.455 nan 8.290 nan 0.000 0.454 719 T N 0.051 114.737 114.554 0.219 0.000 2.916 719 T HA 0.617 4.967 4.350 0.000 0.000 0.298 719 T C -1.106 173.784 174.700 0.316 0.000 1.031 719 T CA 0.236 62.478 62.100 0.236 0.000 0.993 719 T CB 1.984 70.931 68.868 0.132 0.000 1.045 719 T HN 1.662 nan 8.240 nan 0.000 0.454 720 V N 3.901 123.972 119.914 0.262 0.000 2.384 720 V HA 0.589 4.709 4.120 0.000 0.000 0.287 720 V C -1.034 175.122 176.094 0.104 0.000 1.020 720 V CA -0.743 61.653 62.300 0.159 0.000 0.850 720 V CB 1.179 33.045 31.823 0.072 0.000 0.987 720 V HN 0.808 nan 8.190 nan 0.000 0.436 721 N N 7.096 125.839 118.700 0.071 0.000 2.422 721 N HA 0.518 5.258 4.740 0.000 0.000 0.266 721 N C -0.964 174.561 175.510 0.024 0.000 1.007 721 N CA -0.128 52.948 53.050 0.043 0.000 0.941 721 N CB 1.938 40.446 38.487 0.036 0.000 1.115 721 N HN 0.674 nan 8.380 nan 0.000 0.492 722 L N 1.463 122.695 121.223 0.016 0.000 2.346 722 L HA 0.495 4.835 4.340 0.000 0.000 0.276 722 L C -0.280 176.591 176.870 0.001 0.000 1.006 722 L CA -0.687 54.156 54.840 0.006 0.000 0.817 722 L CB 1.758 43.818 42.059 0.003 0.000 1.272 722 L HN 0.379 nan 8.230 nan 0.000 0.421 723 D N 1.609 122.009 120.400 -0.000 0.000 2.602 723 D HA 0.205 4.845 4.640 0.000 0.000 0.236 723 D C -0.529 175.770 176.300 -0.003 0.000 1.209 723 D CA -0.451 53.547 54.000 -0.003 0.000 0.831 723 D CB 1.484 42.283 40.800 -0.003 0.000 1.478 723 D HN 0.418 nan 8.370 nan 0.000 0.438 724 N N 2.504 121.201 118.700 -0.004 0.000 2.642 724 N HA -0.244 4.496 4.740 0.000 0.000 0.269 724 N C -0.825 174.684 175.510 -0.002 0.000 1.073 724 N CA 1.294 54.342 53.050 -0.003 0.000 0.748 724 N CB -0.507 37.978 38.487 -0.003 0.000 0.894 724 N HN 0.460 nan 8.380 nan 0.000 0.548 725 Q N -2.277 117.522 119.800 -0.003 0.000 2.504 725 Q HA -0.170 4.170 4.340 0.000 0.000 0.274 725 Q C -0.476 175.524 176.000 0.000 0.000 1.103 725 Q CA 1.331 57.133 55.803 -0.002 0.000 0.962 725 Q CB -2.464 26.274 28.738 -0.000 0.000 1.322 725 Q HN 0.699 nan 8.270 nan 0.000 0.500 726 S N -0.547 115.153 115.700 0.000 0.000 2.632 726 S HA 0.641 5.111 4.470 0.000 0.000 0.267 726 S C 0.485 175.084 174.600 -0.001 0.000 1.276 726 S CA -0.551 57.651 58.200 0.004 0.000 0.998 726 S CB 1.912 65.115 63.200 0.005 0.000 0.953 726 S HN 0.166 nan 8.310 nan 0.000 0.547 727 V N 2.322 122.237 119.914 0.002 0.000 2.638 727 V HA 0.472 4.592 4.120 0.000 0.000 0.306 727 V C -0.937 175.151 176.094 -0.010 0.000 1.052 727 V CA -0.715 61.581 62.300 -0.008 0.000 0.885 727 V CB 1.570 33.388 31.823 -0.007 0.000 0.999 727 V HN 0.668 nan 8.190 nan 0.000 0.424 728 L N 5.234 126.438 121.223 -0.032 0.000 2.313 728 L HA 0.669 5.009 4.340 0.000 0.000 0.283 728 L C -0.524 176.297 176.870 -0.082 0.000 1.013 728 L CA 0.071 54.878 54.840 -0.055 0.000 0.816 728 L CB 1.667 43.677 42.059 -0.081 0.000 1.236 728 L HN 0.598 nan 8.230 nan 0.000 0.419 729 N N 6.849 125.502 118.700 -0.078 0.000 2.476 729 N HA 0.408 5.148 4.740 0.000 0.000 0.257 729 N C -0.954 174.487 175.510 -0.115 0.000 0.970 729 N CA -0.190 52.806 53.050 -0.089 0.000 0.938 729 N CB 1.927 40.377 38.487 -0.062 0.000 1.144 729 N HN 0.582 nan 8.380 nan 0.000 0.500 730 I N 2.269 122.740 120.570 -0.165 0.000 2.287 730 I HA 0.181 4.351 4.170 0.000 0.000 0.290 730 I C 0.415 176.476 176.117 -0.092 0.000 1.069 730 I CA -0.338 60.852 61.300 -0.184 0.000 1.237 730 I CB 0.237 38.001 38.000 -0.395 0.000 1.418 730 I HN 0.252 nan 8.210 nan 0.000 0.481 731 N N 4.795 123.469 118.700 -0.042 0.000 2.200 731 N HA 0.094 4.834 4.740 0.000 0.000 0.224 731 N C -0.368 175.145 175.510 0.005 0.000 1.179 731 N CA -0.076 52.958 53.050 -0.026 0.000 0.877 731 N CB 0.578 39.041 38.487 -0.039 0.000 1.072 731 N HN 0.644 nan 8.380 nan 0.000 0.519 732 D N -0.678 119.752 120.400 0.050 0.000 2.904 732 D HA 0.282 4.922 4.640 0.000 0.000 0.290 732 D C -0.280 176.099 176.300 0.132 0.000 1.180 732 D CA -0.665 53.382 54.000 0.077 0.000 1.065 732 D CB 0.339 41.193 40.800 0.090 0.000 1.386 732 D HN -0.165 nan 8.370 nan 0.000 0.599 733 I N 0.578 121.230 120.570 0.136 0.000 2.329 733 I HA 0.203 4.373 4.170 0.000 0.000 0.295 733 I C -0.565 175.697 176.117 0.241 0.000 1.109 733 I CA -0.368 61.020 61.300 0.147 0.000 1.297 733 I CB -0.274 37.777 38.000 0.085 0.000 1.433 733 I HN 0.145 nan 8.210 nan 0.000 0.509 734 F N 7.260 127.277 119.950 0.112 0.000 2.436 734 F HA 0.468 4.995 4.527 0.000 0.000 0.340 734 F C -0.075 175.823 175.800 0.162 0.000 1.113 734 F CA -0.392 57.720 58.000 0.186 0.000 1.022 734 F CB 0.864 39.952 39.000 0.147 0.000 1.128 734 F HN 0.360 nan 8.300 nan 0.000 0.466 735 N N 4.317 122.800 118.700 -0.362 0.000 2.577 735 N HA 0.528 5.268 4.740 0.000 0.000 0.275 735 N C -1.034 174.177 175.510 -0.499 0.000 1.091 735 N CA -0.432 52.441 53.050 -0.295 0.000 0.843 735 N CB 1.745 40.143 38.487 -0.149 0.000 1.295 735 N HN 0.936 nan 8.380 nan 0.000 0.530 736 G N -0.044 108.491 108.800 -0.442 0.000 2.519 736 G HA2 0.450 4.410 3.960 0.000 0.000 0.292 736 G HA3 0.450 4.410 3.960 0.000 0.000 0.292 736 G C -0.730 174.261 174.900 0.153 0.000 1.507 736 G CA -0.716 44.264 45.100 -0.200 0.000 0.806 736 G HN 0.369 nan 8.290 nan 0.000 0.523 737 G N -0.975 107.926 108.800 0.170 0.000 2.507 737 G HA2 0.586 4.546 3.960 0.000 0.000 0.271 737 G HA3 0.586 4.546 3.960 0.000 0.000 0.271 737 G C -0.377 174.677 174.900 0.256 0.000 1.189 737 G CA -0.546 44.679 45.100 0.209 0.000 0.859 737 G HN 0.686 nan 8.290 nan 0.000 0.542 738 I N 0.568 121.265 120.570 0.212 0.000 2.447 738 I HA 0.230 4.400 4.170 0.000 0.000 0.287 738 I C -0.921 175.240 176.117 0.073 0.000 1.023 738 I CA -0.705 60.692 61.300 0.162 0.000 1.083 738 I CB 2.273 40.367 38.000 0.157 0.000 1.245 738 I HN 0.192 nan 8.210 nan 0.000 0.434 739 Q N 5.108 124.940 119.800 0.055 0.000 2.357 739 Q HA 0.752 5.092 4.340 0.000 0.000 0.266 739 Q C -0.875 175.129 176.000 0.006 0.000 1.021 739 Q CA -0.376 55.435 55.803 0.013 0.000 0.784 739 Q CB 2.130 30.881 28.738 0.020 0.000 1.243 739 Q HN 0.736 nan 8.270 nan 0.000 0.465 740 A N 3.359 126.168 122.820 -0.018 0.000 2.435 740 A HA 0.818 5.138 4.320 0.000 0.000 0.304 740 A C -1.115 176.453 177.584 -0.027 0.000 1.064 740 A CA -0.691 51.337 52.037 -0.016 0.000 0.727 740 A CB 1.459 20.451 19.000 -0.014 0.000 1.284 740 A HN 0.693 nan 8.150 nan 0.000 0.415 741 N N 1.401 120.090 118.700 -0.019 0.000 2.287 741 N HA 0.200 4.940 4.740 0.000 0.000 0.289 741 N C -0.868 174.632 175.510 -0.016 0.000 1.066 741 N CA -0.549 52.489 53.050 -0.021 0.000 0.841 741 N CB 0.973 39.449 38.487 -0.018 0.000 1.599 741 N HN 0.636 nan 8.380 nan 0.000 0.476 742 N N 0.906 119.595 118.700 -0.018 0.000 2.710 742 N HA -0.161 4.579 4.740 0.000 0.000 0.249 742 N C -0.991 174.512 175.510 -0.012 0.000 1.059 742 N CA 1.087 54.128 53.050 -0.014 0.000 0.720 742 N CB -1.042 37.438 38.487 -0.011 0.000 0.983 742 N HN 0.467 nan 8.380 nan 0.000 0.544 743 S N -1.320 114.371 115.700 -0.014 0.000 2.971 743 S HA 0.742 5.212 4.470 0.000 0.000 0.320 743 S C 0.126 174.718 174.600 -0.014 0.000 1.111 743 S CA -0.568 57.625 58.200 -0.012 0.000 0.870 743 S CB 2.360 65.554 63.200 -0.009 0.000 1.331 743 S HN 0.113 nan 8.310 nan 0.000 0.635 744 T N 1.201 115.746 114.554 -0.015 0.000 2.933 744 T HA 0.604 4.954 4.350 0.000 0.000 0.305 744 T C -1.526 173.160 174.700 -0.025 0.000 1.092 744 T CA -0.517 61.572 62.100 -0.018 0.000 1.008 744 T CB 1.707 70.564 68.868 -0.019 0.000 1.102 744 T HN 0.597 nan 8.240 nan 0.000 0.469 745 V N 3.335 123.232 119.914 -0.027 0.000 2.531 745 V HA 0.728 4.848 4.120 0.000 0.000 0.301 745 V C -1.450 174.611 176.094 -0.056 0.000 1.034 745 V CA -0.710 61.561 62.300 -0.049 0.000 0.865 745 V CB 1.720 33.507 31.823 -0.060 0.000 0.995 745 V HN 0.833 nan 8.190 nan 0.000 0.424 746 N N 6.498 125.154 118.700 -0.073 0.000 2.362 746 N HA 0.638 5.378 4.740 0.000 0.000 0.298 746 N C -1.076 174.374 175.510 -0.100 0.000 1.048 746 N CA -0.250 52.757 53.050 -0.071 0.000 0.858 746 N CB 2.409 40.861 38.487 -0.058 0.000 1.218 746 N HN 0.725 nan 8.380 nan 0.000 0.488 747 I N 0.991 121.507 120.570 -0.090 0.000 2.447 747 I HA 0.146 4.316 4.170 0.000 0.000 0.287 747 I C 0.731 176.806 176.117 -0.071 0.000 1.023 747 I CA -0.371 60.866 61.300 -0.104 0.000 1.083 747 I CB 1.795 39.729 38.000 -0.111 0.000 1.245 747 I HN 0.571 nan 8.210 nan 0.000 0.434 748 S N 2.071 117.733 115.700 -0.064 0.000 2.603 748 S HA 0.119 4.589 4.470 0.000 0.000 0.232 748 S C 0.717 175.294 174.600 -0.037 0.000 1.016 748 S CA -0.347 57.825 58.200 -0.047 0.000 0.976 748 S CB 0.405 63.579 63.200 -0.044 0.000 0.921 748 S HN 0.522 nan 8.310 nan 0.000 0.516 749 S N 2.723 118.401 115.700 -0.037 0.000 2.562 749 S HA 0.141 4.611 4.470 0.000 0.000 0.281 749 S C 0.727 175.323 174.600 -0.006 0.000 1.333 749 S CA 0.110 58.302 58.200 -0.013 0.000 1.052 749 S CB 0.439 63.643 63.200 0.007 0.000 0.884 749 S HN 0.588 nan 8.310 nan 0.000 0.506 750 D N 1.690 122.090 120.400 0.000 0.000 2.328 750 D HA 0.072 4.712 4.640 0.000 0.000 0.226 750 D C -0.192 176.119 176.300 0.017 0.000 1.066 750 D CA -0.108 53.893 54.000 0.002 0.000 0.861 750 D CB -0.114 40.683 40.800 -0.005 0.000 0.912 750 D HN 0.223 nan 8.370 nan 0.000 0.521 751 S N -0.247 115.476 115.700 0.037 0.000 2.486 751 S HA 0.635 5.105 4.470 0.000 0.000 0.144 751 S C -0.539 174.128 174.600 0.111 0.000 1.542 751 S CA -0.853 57.383 58.200 0.060 0.000 1.262 751 S CB 0.915 64.148 63.200 0.055 0.000 1.462 751 S HN 0.452 nan 8.310 nan 0.000 0.381 752 A N 1.517 124.406 122.820 0.115 0.000 2.318 752 A HA 0.816 5.136 4.320 0.000 0.000 0.317 752 A C -0.555 177.151 177.584 0.203 0.000 1.159 752 A CA -0.698 51.463 52.037 0.206 0.000 0.799 752 A CB 1.007 20.070 19.000 0.105 0.000 1.194 752 A HN 0.461 nan 8.150 nan 0.000 0.479 753 V N 4.286 124.366 119.914 0.277 0.000 2.378 753 V HA 0.359 4.479 4.120 0.000 0.000 0.288 753 V C -0.366 175.906 176.094 0.297 0.000 1.016 753 V CA -0.278 62.144 62.300 0.204 0.000 0.840 753 V CB 1.182 33.074 31.823 0.116 0.000 0.994 753 V HN 0.754 nan 8.190 nan 0.000 0.431 754 L N 4.775 126.160 121.223 0.271 0.000 2.272 754 L HA 0.690 5.030 4.340 0.000 0.000 0.289 754 L C 1.034 178.042 176.870 0.230 0.000 1.032 754 L CA -0.244 54.791 54.840 0.325 0.000 0.810 754 L CB 1.177 43.427 42.059 0.318 0.000 1.205 754 L HN 0.713 nan 8.230 nan 0.000 0.422 755 G N 2.115 111.034 108.800 0.199 0.000 2.508 755 G HA2 0.026 3.986 3.960 0.000 0.000 0.278 755 G HA3 0.026 3.986 3.960 0.000 0.000 0.278 755 G C 0.030 175.031 174.900 0.167 0.000 1.389 755 G CA -0.672 44.516 45.100 0.148 0.000 1.050 755 G HN 0.713 nan 8.290 nan 0.000 0.522 756 N N -0.007 118.767 118.700 0.124 0.000 2.217 756 N HA -0.008 4.732 4.740 0.000 0.000 0.268 756 N C -0.710 174.859 175.510 0.098 0.000 1.290 756 N CA 0.787 53.903 53.050 0.109 0.000 0.831 756 N CB 0.150 38.683 38.487 0.076 0.000 1.057 756 N HN 0.225 nan 8.380 nan 0.000 0.481 757 S N 1.287 117.026 115.700 0.066 0.000 2.548 757 S HA 0.360 4.830 4.470 0.000 0.000 0.276 757 S C -0.885 173.605 174.600 -0.183 0.000 1.129 757 S CA -0.693 57.504 58.200 -0.005 0.000 0.931 757 S CB 2.127 65.383 63.200 0.094 0.000 1.068 757 S HN 0.428 nan 8.310 nan 0.000 0.480 758 T N 3.252 117.706 114.554 -0.166 0.000 2.840 758 T HA 0.598 4.948 4.350 0.000 0.000 0.287 758 T C -1.200 173.383 174.700 -0.195 0.000 0.991 758 T CA -0.433 61.541 62.100 -0.209 0.000 0.964 758 T CB 0.704 69.500 68.868 -0.120 0.000 0.954 758 T HN 0.242 nan 8.240 nan 0.000 0.438 759 L N 2.936 124.003 121.223 -0.261 0.000 2.341 759 L HA 0.672 5.012 4.340 0.000 0.000 0.278 759 L C 0.209 177.007 176.870 -0.121 0.000 1.005 759 L CA -0.269 54.468 54.840 -0.172 0.000 0.818 759 L CB 2.142 44.090 42.059 -0.184 0.000 1.259 759 L HN 0.611 nan 8.230 nan 0.000 0.418 760 T N 0.825 115.334 114.554 -0.076 0.000 2.881 760 T HA 0.314 4.664 4.350 0.000 0.000 0.291 760 T C 0.152 174.827 174.700 -0.041 0.000 0.990 760 T CA -0.653 61.413 62.100 -0.055 0.000 0.976 760 T CB 1.301 70.141 68.868 -0.046 0.000 0.970 760 T HN 0.539 nan 8.240 nan 0.000 0.438 761 S N 2.010 117.688 115.700 -0.037 0.000 3.549 761 S HA -0.142 4.328 4.470 0.000 0.000 0.366 761 S C 0.297 174.881 174.600 -0.028 0.000 1.012 761 S CA 0.867 59.049 58.200 -0.030 0.000 1.141 761 S CB -1.112 62.074 63.200 -0.023 0.000 0.910 761 S HN 0.838 nan 8.310 nan 0.000 0.471 762 T N 1.559 116.094 114.554 -0.032 0.000 2.890 762 T HA 0.622 4.972 4.350 0.000 0.000 0.295 762 T C 0.136 174.824 174.700 -0.020 0.000 0.993 762 T CA 0.082 62.168 62.100 -0.024 0.000 0.979 762 T CB 1.595 70.448 68.868 -0.025 0.000 0.967 762 T HN 0.541 nan 8.240 nan 0.000 0.441 763 A N 3.186 125.995 122.820 -0.018 0.000 2.477 763 A HA 0.606 4.926 4.320 0.000 0.000 0.246 763 A C -0.199 177.382 177.584 -0.005 0.000 1.078 763 A CA -0.342 51.684 52.037 -0.018 0.000 0.770 763 A CB 0.031 19.018 19.000 -0.021 0.000 1.011 763 A HN 0.697 nan 8.150 nan 0.000 0.494 764 L N 3.023 124.248 121.223 0.003 0.000 2.313 764 L HA 0.503 4.843 4.340 0.000 0.000 0.283 764 L C -0.999 175.859 176.870 -0.020 0.000 1.013 764 L CA -0.349 54.497 54.840 0.010 0.000 0.816 764 L CB 1.245 43.348 42.059 0.074 0.000 1.236 764 L HN 0.634 nan 8.230 nan 0.000 0.419 765 N N 6.833 125.516 118.700 -0.029 0.000 2.483 765 N HA 0.402 5.142 4.740 0.000 0.000 0.267 765 N C -1.429 174.058 175.510 -0.039 0.000 0.998 765 N CA -0.391 52.640 53.050 -0.032 0.000 0.918 765 N CB 2.143 40.611 38.487 -0.031 0.000 1.215 765 N HN 0.552 nan 8.380 nan 0.000 0.500 766 L N 2.365 123.567 121.223 -0.035 0.000 2.272 766 L HA 0.435 4.775 4.340 0.000 0.000 0.289 766 L C 0.390 177.241 176.870 -0.031 0.000 1.032 766 L CA -0.510 54.307 54.840 -0.038 0.000 0.810 766 L CB 0.815 42.853 42.059 -0.036 0.000 1.205 766 L HN 0.326 nan 8.230 nan 0.000 0.422 767 N N 1.864 120.544 118.700 -0.034 0.000 2.530 767 N HA 0.274 5.014 4.740 0.000 0.000 0.283 767 N C -0.407 175.087 175.510 -0.028 0.000 1.238 767 N CA -0.979 52.053 53.050 -0.029 0.000 0.971 767 N CB 1.222 39.690 38.487 -0.032 0.000 1.195 767 N HN 0.444 nan 8.380 nan 0.000 0.583 768 K N 0.361 120.746 120.400 -0.025 0.000 2.491 768 K HA -0.020 4.300 4.320 0.000 0.000 0.279 768 K C 0.654 177.240 176.600 -0.025 0.000 1.026 768 K CA 1.041 57.314 56.287 -0.023 0.000 1.070 768 K CB -0.298 32.189 32.500 -0.021 0.000 0.887 768 K HN 0.780 nan 8.250 nan 0.000 0.481 769 G N 1.981 110.767 108.800 -0.024 0.000 2.217 769 G HA2 -0.294 3.666 3.960 0.000 0.000 0.246 769 G HA3 -0.294 3.666 3.960 0.000 0.000 0.246 769 G C 0.152 175.039 174.900 -0.023 0.000 0.990 769 G CA 0.091 45.178 45.100 -0.023 0.000 0.627 769 G HN 0.954 nan 8.290 nan 0.000 0.522 770 A N -0.063 122.742 122.820 -0.026 0.000 2.445 770 A HA 0.600 4.920 4.320 0.000 0.000 0.242 770 A C 0.337 177.907 177.584 -0.024 0.000 1.075 770 A CA 0.738 52.759 52.037 -0.027 0.000 0.777 770 A CB 0.488 19.467 19.000 -0.034 0.000 1.013 770 A HN 0.909 nan 8.150 nan 0.000 0.493 771 N N -0.157 118.532 118.700 -0.018 0.000 2.478 771 N HA 0.577 5.317 4.740 0.000 0.000 0.291 771 N C -1.356 174.152 175.510 -0.004 0.000 1.090 771 N CA 0.341 53.382 53.050 -0.015 0.000 0.911 771 N CB 1.950 40.429 38.487 -0.012 0.000 1.546 771 N HN 0.965 nan 8.380 nan 0.000 0.500 772 A N 3.190 126.004 122.820 -0.009 0.000 2.475 772 A HA 0.636 4.956 4.320 0.000 0.000 0.301 772 A C -1.597 175.988 177.584 0.003 0.000 1.059 772 A CA -0.695 51.347 52.037 0.009 0.000 0.710 772 A CB 1.435 20.433 19.000 -0.003 0.000 1.288 772 A HN 0.558 nan 8.150 nan 0.000 0.408 773 L N 2.283 123.524 121.223 0.030 0.000 2.305 773 L HA 0.696 5.036 4.340 0.000 0.000 0.284 773 L C 0.198 177.100 176.870 0.053 0.000 1.013 773 L CA -0.617 54.237 54.840 0.024 0.000 0.819 773 L CB 1.437 43.514 42.059 0.029 0.000 1.227 773 L HN 0.905 nan 8.230 nan 0.000 0.417 774 A N 2.977 125.819 122.820 0.036 0.000 2.415 774 A HA 0.297 4.617 4.320 0.000 0.000 0.309 774 A C 1.070 178.709 177.584 0.092 0.000 1.356 774 A CA 0.021 52.113 52.037 0.091 0.000 0.998 774 A CB 0.133 19.185 19.000 0.087 0.000 1.145 774 A HN 0.888 nan 8.150 nan 0.000 0.545 775 S N 1.808 117.567 115.700 0.098 0.000 2.522 775 S HA 0.030 4.500 4.470 0.000 0.000 0.227 775 S C 0.759 175.405 174.600 0.076 0.000 0.986 775 S CA 0.598 58.841 58.200 0.071 0.000 0.929 775 S CB -0.055 63.182 63.200 0.063 0.000 0.769 775 S HN 0.786 nan 8.310 nan 0.000 0.529 776 Q N 0.215 120.080 119.800 0.108 0.000 3.348 776 Q HA 0.483 4.823 4.340 0.000 0.000 0.330 776 Q C -0.732 175.356 176.000 0.147 0.000 0.928 776 Q CA -0.914 54.954 55.803 0.107 0.000 0.823 776 Q CB 0.742 29.539 28.738 0.098 0.000 1.774 776 Q HN 0.179 nan 8.270 nan 0.000 0.433 777 S N 0.502 116.294 115.700 0.154 0.000 2.585 777 S HA 0.350 4.820 4.470 0.000 0.000 0.273 777 S C -1.113 173.641 174.600 0.258 0.000 1.339 777 S CA -0.132 58.187 58.200 0.199 0.000 1.028 777 S CB 0.150 63.469 63.200 0.199 0.000 0.906 777 S HN 0.360 nan 8.310 nan 0.000 0.528 778 F N 2.533 122.561 119.950 0.130 0.000 2.579 778 F HA 0.527 5.054 4.527 -0.000 0.000 0.325 778 F C -1.277 174.595 175.800 0.121 0.000 1.162 778 F CA -0.607 57.475 58.000 0.136 0.000 0.946 778 F CB 0.981 40.102 39.000 0.201 0.000 1.211 778 F HN 0.255 nan 8.300 nan 0.000 0.447 779 V N 5.448 125.088 119.914 -0.456 0.000 2.357 779 V HA 0.438 4.558 4.120 0.000 0.000 0.281 779 V C -0.376 175.455 176.094 -0.437 0.000 1.015 779 V CA -0.435 61.690 62.300 -0.292 0.000 0.827 779 V CB 1.082 32.778 31.823 -0.212 0.000 1.018 779 V HN 0.780 nan 8.190 nan 0.000 0.432 780 S N 2.357 117.854 115.700 -0.338 0.000 2.607 780 S HA 0.571 5.041 4.470 0.000 0.000 0.303 780 S C 0.232 174.786 174.600 -0.076 0.000 1.086 780 S CA -0.408 57.650 58.200 -0.238 0.000 0.995 780 S CB 1.788 64.894 63.200 -0.157 0.000 1.084 780 S HN 0.894 nan 8.310 nan 0.000 0.507 781 D N 1.073 121.430 120.400 -0.071 0.000 2.469 781 D HA 0.291 4.931 4.640 0.000 0.000 0.215 781 D C 0.616 176.884 176.300 -0.054 0.000 1.154 781 D CA -0.223 53.751 54.000 -0.042 0.000 0.832 781 D CB 0.019 40.801 40.800 -0.031 0.000 1.008 781 D HN 0.503 nan 8.370 nan 0.000 0.506 782 G N 0.148 108.905 108.800 -0.072 0.000 3.175 782 G HA2 0.626 4.586 3.960 0.000 0.000 0.255 782 G HA3 0.626 4.586 3.960 0.000 0.000 0.255 782 G C -2.926 171.906 174.900 -0.113 0.000 1.352 782 G CA -1.624 43.433 45.100 -0.072 0.000 1.037 782 G HN -0.069 nan 8.290 nan 0.000 0.556 783 P HA 0.435 nan 4.420 nan 0.000 0.277 783 P C -0.865 176.350 177.300 -0.142 0.000 1.240 783 P CA -0.420 62.606 63.100 -0.123 0.000 0.798 783 P CB 1.910 33.571 31.700 -0.065 0.000 0.979 784 V N 3.177 122.972 119.914 -0.197 0.000 2.407 784 V HA 0.307 4.427 4.120 0.000 0.000 0.291 784 V C -0.197 175.870 176.094 -0.044 0.000 1.018 784 V CA -0.583 61.630 62.300 -0.146 0.000 0.842 784 V CB 1.215 32.859 31.823 -0.298 0.000 0.996 784 V HN 0.483 nan 8.190 nan 0.000 0.426 785 N N 5.688 124.373 118.700 -0.024 0.000 2.444 785 N HA 0.566 5.306 4.740 0.000 0.000 0.262 785 N C -0.849 174.661 175.510 -0.000 0.000 0.974 785 N CA -0.244 52.803 53.050 -0.004 0.000 0.933 785 N CB 2.415 40.895 38.487 -0.012 0.000 1.137 785 N HN 0.545 nan 8.380 nan 0.000 0.498 786 I N 0.867 121.445 120.570 0.014 0.000 2.330 786 I HA 0.195 4.365 4.170 0.000 0.000 0.289 786 I C 0.250 176.364 176.117 -0.005 0.000 1.001 786 I CA -0.454 60.847 61.300 0.003 0.000 1.193 786 I CB 1.424 39.431 38.000 0.011 0.000 1.345 786 I HN 0.293 nan 8.210 nan 0.000 0.461 787 S N 5.647 121.339 115.700 -0.013 0.000 2.664 787 S HA 0.262 4.732 4.470 0.000 0.000 0.262 787 S C -0.226 174.364 174.600 -0.017 0.000 1.229 787 S CA -0.480 57.712 58.200 -0.013 0.000 1.151 787 S CB 0.115 63.307 63.200 -0.013 0.000 1.054 787 S HN 0.698 nan 8.310 nan 0.000 0.483 788 D N 1.652 122.042 120.400 -0.017 0.000 2.772 788 D HA -0.155 4.485 4.640 0.000 0.000 0.233 788 D C -0.079 176.208 176.300 -0.023 0.000 1.143 788 D CA 1.540 55.528 54.000 -0.019 0.000 0.700 788 D CB -1.211 39.578 40.800 -0.018 0.000 1.076 788 D HN 0.833 nan 8.370 nan 0.000 0.430 789 A N -1.226 121.580 122.820 -0.025 0.000 2.583 789 A HA 0.799 5.119 4.320 0.000 0.000 0.289 789 A C -0.275 177.289 177.584 -0.033 0.000 1.151 789 A CA -0.414 51.606 52.037 -0.028 0.000 0.695 789 A CB 1.896 20.880 19.000 -0.027 0.000 1.290 789 A HN -0.039 nan 8.150 nan 0.000 0.419 790 T N 0.750 115.283 114.554 -0.035 0.000 2.841 790 T HA 0.589 4.939 4.350 0.000 0.000 0.283 790 T C -1.375 173.297 174.700 -0.047 0.000 1.000 790 T CA -0.193 61.880 62.100 -0.045 0.000 0.977 790 T CB 1.182 70.024 68.868 -0.043 0.000 0.979 790 T HN 0.780 nan 8.240 nan 0.000 0.446 791 L N 3.034 124.220 121.223 -0.062 0.000 2.376 791 L HA 0.673 5.013 4.340 0.000 0.000 0.275 791 L C -0.635 176.177 176.870 -0.097 0.000 0.987 791 L CA -0.156 54.643 54.840 -0.069 0.000 0.828 791 L CB 1.698 43.722 42.059 -0.058 0.000 1.249 791 L HN 0.602 nan 8.230 nan 0.000 0.409 792 S N 5.562 121.214 115.700 -0.081 0.000 2.509 792 S HA 0.749 5.219 4.470 0.000 0.000 0.297 792 S C -0.879 173.669 174.600 -0.087 0.000 1.118 792 S CA -0.610 57.535 58.200 -0.092 0.000 1.074 792 S CB 1.506 64.667 63.200 -0.065 0.000 1.038 792 S HN 0.393 nan 8.310 nan 0.000 0.498 793 L N 3.657 124.813 121.223 -0.113 0.000 2.305 793 L HA 0.532 4.872 4.340 0.000 0.000 0.284 793 L C 1.006 177.849 176.870 -0.044 0.000 1.013 793 L CA 0.158 54.950 54.840 -0.080 0.000 0.819 793 L CB 0.386 42.358 42.059 -0.145 0.000 1.227 793 L HN 0.799 nan 8.230 nan 0.000 0.417 794 N N 0.773 119.473 118.700 0.001 0.000 2.292 794 N HA -0.226 4.514 4.740 0.000 0.000 0.219 794 N C 0.116 175.623 175.510 -0.004 0.000 1.011 794 N CA 1.812 54.869 53.050 0.012 0.000 2.776 794 N CB -0.439 38.061 38.487 0.021 0.000 0.819 794 N HN 0.704 nan 8.380 nan 0.000 0.457 795 S N -0.591 115.094 115.700 -0.026 0.000 2.533 795 S HA 0.649 5.119 4.470 0.000 0.000 0.271 795 S C -1.070 173.505 174.600 -0.042 0.000 1.143 795 S CA -0.715 57.467 58.200 -0.030 0.000 0.891 795 S CB 1.395 64.573 63.200 -0.037 0.000 1.105 795 S HN 0.324 nan 8.310 nan 0.000 0.468 796 R N 3.145 123.625 120.500 -0.033 0.000 2.594 796 R HA 0.279 4.619 4.340 0.000 0.000 0.272 796 R C -1.415 174.859 176.300 -0.043 0.000 1.074 796 R CA -1.656 54.421 56.100 -0.038 0.000 1.105 796 R CB 0.333 30.618 30.300 -0.025 0.000 1.008 796 R HN 0.548 nan 8.270 nan 0.000 0.472 797 P HA -0.155 nan 4.420 nan 0.000 0.220 797 P C -0.103 177.173 177.300 -0.040 0.000 1.148 797 P CA 1.359 64.427 63.100 -0.053 0.000 0.803 797 P CB 0.297 31.962 31.700 -0.058 0.000 0.782 798 D N -0.136 120.245 120.400 -0.031 0.000 2.342 798 D HA 0.103 4.743 4.640 0.000 0.000 0.221 798 D C 0.132 176.423 176.300 -0.016 0.000 1.101 798 D CA 0.372 54.358 54.000 -0.022 0.000 0.837 798 D CB 0.579 41.368 40.800 -0.019 0.000 0.938 798 D HN 0.402 nan 8.370 nan 0.000 0.508 799 E N 0.333 120.523 120.200 -0.018 0.000 2.256 799 E HA 0.420 4.770 4.350 0.000 0.000 0.268 799 E C -0.956 175.636 176.600 -0.014 0.000 0.877 799 E CA -0.685 55.709 56.400 -0.010 0.000 0.757 799 E CB 3.180 32.875 29.700 -0.008 0.000 1.183 799 E HN -0.224 nan 8.360 nan 0.000 0.418 800 V N 2.052 121.965 119.914 -0.002 0.000 2.459 800 V HA 0.410 4.530 4.120 0.000 0.000 0.295 800 V C -0.156 175.939 176.094 0.003 0.000 1.029 800 V CA -0.464 61.826 62.300 -0.016 0.000 0.874 800 V CB 1.640 33.470 31.823 0.011 0.000 0.985 800 V HN 0.664 nan 8.190 nan 0.000 0.438 801 S N 2.998 118.664 115.700 -0.057 0.000 2.568 801 S HA 0.513 4.983 4.470 0.000 0.000 0.302 801 S C 0.068 174.573 174.600 -0.158 0.000 1.082 801 S CA -0.576 57.607 58.200 -0.028 0.000 1.009 801 S CB 1.180 64.365 63.200 -0.026 0.000 1.069 801 S HN 0.820 nan 8.310 nan 0.000 0.500 802 H N 2.146 121.198 119.070 -0.030 0.000 2.581 802 H HA 0.209 4.765 4.556 0.000 0.000 0.275 802 H C 0.436 175.725 175.328 -0.064 0.000 1.126 802 H CA 0.410 56.431 56.048 -0.045 0.000 1.097 802 H CB 0.502 30.240 29.762 -0.041 0.000 1.626 802 H HN 0.744 nan 8.280 nan 0.000 0.565 803 T N -1.253 113.304 114.554 0.004 0.000 3.380 803 T HA 0.184 4.534 4.350 0.000 0.000 0.289 803 T C 0.240 174.904 174.700 -0.060 0.000 1.012 803 T CA -0.450 61.634 62.100 -0.028 0.000 0.944 803 T CB -0.156 68.706 68.868 -0.009 0.000 1.172 803 T HN -0.135 nan 8.240 nan 0.000 0.502 804 L N 1.618 122.787 121.223 -0.091 0.000 2.464 804 L HA 0.542 4.882 4.340 0.000 0.000 0.264 804 L C -0.088 176.699 176.870 -0.139 0.000 1.199 804 L CA -0.703 54.081 54.840 -0.093 0.000 0.818 804 L CB 0.349 42.362 42.059 -0.078 0.000 1.102 804 L HN 0.282 nan 8.230 nan 0.000 0.473 805 L N 3.687 124.853 121.223 -0.095 0.000 2.354 805 L HA 0.594 4.934 4.340 0.000 0.000 0.269 805 L C -2.223 174.607 176.870 -0.066 0.000 1.005 805 L CA -2.017 52.764 54.840 -0.098 0.000 0.819 805 L CB 1.704 43.737 42.059 -0.044 0.000 1.311 805 L HN 0.428 nan 8.230 nan 0.000 0.423 806 P HA 0.224 nan 4.420 nan 0.000 0.271 806 P C -0.835 176.471 177.300 0.010 0.000 1.226 806 P CA -0.043 63.083 63.100 0.043 0.000 0.765 806 P CB 1.007 32.785 31.700 0.130 0.000 0.835 807 V N 2.144 122.078 119.914 0.034 0.000 3.046 807 V HA 0.595 4.715 4.120 0.000 0.000 0.316 807 V C -1.024 174.990 176.094 -0.134 0.000 1.104 807 V CA -1.186 61.093 62.300 -0.036 0.000 1.006 807 V CB 1.499 33.364 31.823 0.070 0.000 1.058 807 V HN 0.280 nan 8.190 nan 0.000 0.440 808 Y N -0.020 120.315 120.300 0.059 0.000 2.342 808 Y HA 0.653 5.203 4.550 0.000 0.000 0.334 808 Y C 0.067 176.008 175.900 0.068 0.000 1.067 808 Y CA -0.563 57.507 58.100 -0.051 0.000 1.128 808 Y CB 1.422 39.626 38.460 -0.427 0.000 1.200 808 Y HN 0.645 nan 8.280 nan 0.000 0.464 809 D N 3.049 123.686 120.400 0.395 0.000 2.421 809 D HA 0.165 4.805 4.640 0.000 0.000 0.254 809 D C -1.443 175.429 176.300 0.953 0.000 1.238 809 D CA -0.275 54.070 54.000 0.576 0.000 0.919 809 D CB 1.119 42.141 40.800 0.370 0.000 1.152 809 D HN 0.366 nan 8.370 nan 0.000 0.552 810 Y N 0.856 121.507 120.300 0.585 0.000 2.341 810 Y HA 0.637 5.187 4.550 0.000 0.000 0.338 810 Y C 0.251 176.314 175.900 0.271 0.000 0.965 810 Y CA -1.445 56.909 58.100 0.424 0.000 1.108 810 Y CB 1.951 40.534 38.460 0.205 0.000 1.180 810 Y HN 0.346 nan 8.280 nan 0.000 0.458 811 A N 0.880 123.823 122.820 0.204 0.000 2.566 811 A HA 0.690 5.010 4.320 0.000 0.000 0.292 811 A C 0.915 178.397 177.584 -0.169 0.000 1.112 811 A CA -0.161 51.703 52.037 -0.288 0.000 0.707 811 A CB 0.955 19.153 19.000 -1.337 0.000 1.302 811 A HN 0.775 nan 8.150 nan 0.000 0.409 812 G N 0.086 108.786 108.800 -0.168 0.000 2.404 812 G HA2 0.293 4.253 3.960 0.000 0.000 0.215 812 G HA3 0.293 4.253 3.960 0.000 0.000 0.215 812 G C 0.748 175.608 174.900 -0.068 0.000 1.174 812 G CA 1.634 46.687 45.100 -0.080 0.000 0.780 812 G HN 1.860 nan 8.290 nan 0.000 0.537 813 S N -2.084 113.516 115.700 -0.166 0.000 2.588 813 S HA 0.607 5.077 4.470 0.000 0.000 0.275 813 S C -2.031 172.430 174.600 -0.231 0.000 1.130 813 S CA -1.078 57.082 58.200 -0.067 0.000 0.855 813 S CB 1.451 64.657 63.200 0.010 0.000 1.116 813 S HN 0.233 nan 8.310 nan 0.000 0.472 814 W N 1.406 122.729 121.300 0.038 0.000 2.475 814 W HA 0.563 5.223 4.660 -0.000 0.000 0.320 814 W C -0.648 175.857 176.519 -0.023 0.000 1.022 814 W CA -0.470 56.866 57.345 -0.015 0.000 1.240 814 W CB 1.480 30.895 29.460 -0.074 0.000 1.328 814 W HN 0.575 nan 8.180 nan 0.000 0.439 815 N N 4.983 123.767 118.700 0.141 0.000 2.491 815 N HA 0.440 5.180 4.740 0.000 0.000 0.274 815 N C -1.117 174.424 175.510 0.051 0.000 1.023 815 N CA -0.559 52.538 53.050 0.079 0.000 0.902 815 N CB 1.702 40.215 38.487 0.043 0.000 1.267 815 N HN 0.304 nan 8.380 nan 0.000 0.503 816 L N 0.670 121.915 121.223 0.036 0.000 2.322 816 L HA 0.625 4.965 4.340 0.000 0.000 0.279 816 L C 0.165 177.040 176.870 0.007 0.000 1.036 816 L CA -0.747 54.101 54.840 0.013 0.000 0.807 816 L CB 1.273 43.328 42.059 -0.007 0.000 1.226 816 L HN 0.176 nan 8.230 nan 0.000 0.433 817 K N 1.191 121.591 120.400 0.000 0.000 2.469 817 K HA 0.760 5.080 4.320 0.000 0.000 0.254 817 K C -0.499 176.097 176.600 -0.007 0.000 0.939 817 K CA -0.779 55.507 56.287 -0.001 0.000 0.812 817 K CB 2.534 35.034 32.500 0.000 0.000 1.301 817 K HN 0.898 nan 8.250 nan 0.000 0.433 818 G N 1.819 110.615 108.800 -0.006 0.000 2.712 818 G HA2 -0.150 3.810 3.960 0.000 0.000 0.686 818 G HA3 -0.150 3.810 3.960 0.000 0.000 0.686 818 G C -0.412 174.481 174.900 -0.012 0.000 1.181 818 G CA -0.727 44.367 45.100 -0.009 0.000 0.762 818 G HN 0.667 nan 8.290 nan 0.000 0.641 819 D N 0.266 120.659 120.400 -0.012 0.000 2.269 819 D HA 0.024 4.664 4.640 0.000 0.000 0.208 819 D C 1.629 177.919 176.300 -0.018 0.000 0.963 819 D CA 1.263 55.256 54.000 -0.013 0.000 0.864 819 D CB 0.145 40.939 40.800 -0.010 0.000 0.936 819 D HN 0.468 nan 8.370 nan 0.000 0.505 820 D N 0.060 120.449 120.400 -0.018 0.000 2.339 820 D HA 0.143 4.783 4.640 0.000 0.000 0.217 820 D C 0.395 176.679 176.300 -0.027 0.000 1.050 820 D CA 0.022 54.009 54.000 -0.022 0.000 0.856 820 D CB -0.003 40.785 40.800 -0.020 0.000 0.922 820 D HN 0.022 nan 8.370 nan 0.000 0.518 821 A N 1.213 124.017 122.820 -0.027 0.000 2.401 821 A HA 0.487 4.807 4.320 0.000 0.000 0.259 821 A C 0.353 177.910 177.584 -0.045 0.000 1.103 821 A CA -0.194 51.824 52.037 -0.032 0.000 0.789 821 A CB 0.568 19.553 19.000 -0.026 0.000 1.035 821 A HN -0.087 nan 8.150 nan 0.000 0.491 822 R N 1.596 122.063 120.500 -0.055 0.000 2.574 822 R HA 0.459 4.799 4.340 0.000 0.000 0.288 822 R C -1.947 174.295 176.300 -0.097 0.000 1.004 822 R CA -0.737 55.317 56.100 -0.076 0.000 0.895 822 R CB 1.675 31.933 30.300 -0.069 0.000 1.191 822 R HN 0.594 nan 8.270 nan 0.000 0.444 823 L N 2.878 124.018 121.223 -0.138 0.000 2.319 823 L HA 0.440 4.780 4.340 0.000 0.000 0.281 823 L C -1.107 175.625 176.870 -0.230 0.000 1.005 823 L CA -0.253 54.470 54.840 -0.195 0.000 0.828 823 L CB 1.154 43.059 42.059 -0.257 0.000 1.227 823 L HN 0.526 nan 8.230 nan 0.000 0.415 824 N N 3.958 122.534 118.700 -0.207 0.000 2.476 824 N HA 0.451 5.191 4.740 0.000 0.000 0.257 824 N C -1.160 174.217 175.510 -0.222 0.000 0.970 824 N CA -0.551 52.383 53.050 -0.193 0.000 0.938 824 N CB 2.238 40.644 38.487 -0.134 0.000 1.144 824 N HN 0.411 nan 8.380 nan 0.000 0.500 825 V N 2.224 121.983 119.914 -0.260 0.000 2.318 825 V HA 0.650 4.770 4.120 0.000 0.000 0.271 825 V C 0.728 176.714 176.094 -0.179 0.000 1.030 825 V CA -0.330 61.817 62.300 -0.255 0.000 0.844 825 V CB 0.089 31.691 31.823 -0.369 0.000 1.015 825 V HN 0.670 nan 8.190 nan 0.000 0.460 826 G N 7.590 116.311 108.800 -0.132 0.000 2.699 826 G HA2 0.399 4.359 3.960 0.000 0.000 0.246 826 G HA3 0.399 4.359 3.960 0.000 0.000 0.246 826 G C -2.504 172.325 174.900 -0.118 0.000 1.219 826 G CA -0.900 44.136 45.100 -0.106 0.000 0.866 826 G HN 0.718 nan 8.290 nan 0.000 0.572 827 P HA 0.041 nan 4.420 nan 0.000 0.270 827 P C -0.899 176.258 177.300 -0.238 0.000 1.223 827 P CA 0.142 63.050 63.100 -0.320 0.000 0.785 827 P CB 0.167 31.625 31.700 -0.404 0.000 0.923 828 Y N -2.729 117.421 120.300 -0.251 0.000 3.929 828 Y HA -0.197 4.353 4.550 0.000 0.000 0.225 828 Y C 0.648 176.549 175.900 0.001 0.000 1.200 828 Y CA 0.949 58.766 58.100 -0.472 0.000 1.791 828 Y CB -2.740 35.461 38.460 -0.431 0.000 1.561 828 Y HN 0.334 nan 8.280 nan 0.000 0.657 829 S N 1.027 116.885 115.700 0.264 0.000 2.456 829 S HA 0.639 5.109 4.470 0.000 0.000 0.316 829 S C 0.153 174.984 174.600 0.386 0.000 1.089 829 S CA -0.933 57.448 58.200 0.301 0.000 1.101 829 S CB 0.365 63.623 63.200 0.098 0.000 0.995 829 S HN 0.214 nan 8.310 nan 0.000 0.468 830 M N 5.795 125.554 119.600 0.264 0.000 2.455 830 M HA 0.212 4.692 4.480 0.000 0.000 0.331 830 M C -0.271 176.239 176.300 0.350 0.000 1.481 830 M CA 0.122 55.502 55.300 0.133 0.000 1.362 830 M CB -0.484 32.166 32.600 0.084 0.000 1.564 830 M HN 0.589 nan 8.290 nan 0.000 0.458 831 L N 1.914 123.299 121.223 0.269 0.000 2.375 831 L HA 0.435 4.775 4.340 0.000 0.000 0.271 831 L C 0.241 177.382 176.870 0.453 0.000 1.107 831 L CA 0.058 55.068 54.840 0.284 0.000 0.806 831 L CB 1.580 43.612 42.059 -0.046 0.000 1.146 831 L HN 0.700 nan 8.230 nan 0.000 0.447 832 S N 1.594 117.599 115.700 0.510 0.000 2.533 832 S HA 0.808 5.278 4.470 0.000 0.000 0.271 832 S C -0.651 174.283 174.600 0.556 0.000 1.143 832 S CA 0.261 58.664 58.200 0.339 0.000 0.891 832 S CB 1.673 64.661 63.200 -0.354 0.000 1.105 832 S HN 1.221 nan 8.310 nan 0.000 0.468 833 G N 3.496 112.574 108.800 0.463 0.000 2.587 833 G HA2 -0.058 3.902 3.960 0.000 0.000 0.686 833 G HA3 -0.058 3.902 3.960 0.000 0.000 0.686 833 G C -1.455 173.853 174.900 0.680 0.000 1.236 833 G CA -1.026 44.354 45.100 0.468 0.000 0.820 833 G HN 0.781 nan 8.290 nan 0.000 0.645 834 N N -0.633 118.336 118.700 0.448 0.000 2.503 834 N HA 0.553 5.293 4.740 0.000 0.000 0.267 834 N C 0.297 176.116 175.510 0.516 0.000 1.214 834 N CA -0.068 53.263 53.050 0.469 0.000 0.959 834 N CB 1.032 39.670 38.487 0.252 0.000 1.142 834 N HN 0.561 nan 8.380 nan 0.000 0.455 835 I N 1.540 122.403 120.570 0.489 0.000 2.378 835 I HA 0.252 4.422 4.170 0.000 0.000 0.291 835 I C -0.348 175.878 176.117 0.181 0.000 0.992 835 I CA -0.678 60.772 61.300 0.251 0.000 1.154 835 I CB 1.036 39.005 38.000 -0.051 0.000 1.315 835 I HN 0.180 nan 8.210 nan 0.000 0.448 836 N N 6.048 124.827 118.700 0.133 0.000 2.284 836 N HA 0.584 5.324 4.740 0.000 0.000 0.300 836 N C -1.175 174.369 175.510 0.056 0.000 1.047 836 N CA -0.432 52.673 53.050 0.092 0.000 0.821 836 N CB 3.156 41.693 38.487 0.084 0.000 1.337 836 N HN 0.164 nan 8.380 nan 0.000 0.482 837 V N 1.416 121.354 119.914 0.040 0.000 2.623 837 V HA 0.335 4.455 4.120 0.000 0.000 0.304 837 V C -0.301 175.805 176.094 0.020 0.000 1.054 837 V CA -0.789 61.522 62.300 0.019 0.000 0.882 837 V CB 2.191 34.014 31.823 -0.001 0.000 1.002 837 V HN 0.588 nan 8.190 nan 0.000 0.424 838 Q N 2.836 122.644 119.800 0.014 0.000 2.322 838 Q HA 0.546 4.886 4.340 0.000 0.000 0.265 838 Q C -0.959 175.045 176.000 0.006 0.000 0.985 838 Q CA -0.125 55.685 55.803 0.013 0.000 0.849 838 Q CB 1.559 30.305 28.738 0.013 0.000 1.274 838 Q HN 0.950 nan 8.270 nan 0.000 0.449 839 D N 1.522 121.926 120.400 0.007 0.000 4.259 839 D HA -0.173 4.467 4.640 0.000 0.000 0.290 839 D C -0.900 175.399 176.300 -0.000 0.000 2.199 839 D CA 0.552 54.553 54.000 0.003 0.000 1.194 839 D CB -0.063 40.736 40.800 -0.001 0.000 1.003 839 D HN 0.618 nan 8.370 nan 0.000 1.204 840 K N 0.809 121.207 120.400 -0.003 0.000 3.173 840 K HA 0.415 4.735 4.320 0.000 0.000 0.255 840 K C 0.620 177.211 176.600 -0.014 0.000 1.235 840 K CA 0.052 56.336 56.287 -0.006 0.000 1.250 840 K CB 0.407 32.905 32.500 -0.004 0.000 1.382 840 K HN 0.382 nan 8.250 nan 0.000 0.421 841 G N 0.904 109.693 108.800 -0.018 0.000 2.651 841 G HA2 0.163 4.123 3.960 0.000 0.000 0.260 841 G HA3 0.163 4.123 3.960 0.000 0.000 0.260 841 G C -0.218 174.656 174.900 -0.043 0.000 1.216 841 G CA -0.188 44.894 45.100 -0.030 0.000 0.913 841 G HN 0.234 nan 8.290 nan 0.000 0.535 842 T N -2.451 112.067 114.554 -0.059 0.000 2.886 842 T HA 0.549 4.899 4.350 0.000 0.000 0.292 842 T C -1.032 173.598 174.700 -0.116 0.000 1.012 842 T CA -0.672 61.382 62.100 -0.077 0.000 0.982 842 T CB 1.778 70.608 68.868 -0.063 0.000 1.018 842 T HN 0.523 nan 8.240 nan 0.000 0.451 843 V N 3.984 123.809 119.914 -0.148 0.000 2.409 843 V HA 0.619 4.739 4.120 0.000 0.000 0.291 843 V C 0.018 175.976 176.094 -0.226 0.000 1.020 843 V CA -0.627 61.538 62.300 -0.225 0.000 0.848 843 V CB 1.740 33.388 31.823 -0.293 0.000 0.990 843 V HN 1.130 nan 8.190 nan 0.000 0.430 844 T N 6.498 120.913 114.554 -0.232 0.000 2.812 844 T HA 0.620 4.970 4.350 0.000 0.000 0.282 844 T C -0.539 174.017 174.700 -0.241 0.000 0.990 844 T CA -0.403 61.578 62.100 -0.200 0.000 0.960 844 T CB 1.042 69.823 68.868 -0.146 0.000 0.948 844 T HN 0.348 nan 8.240 nan 0.000 0.438 845 L N 2.941 124.026 121.223 -0.230 0.000 2.313 845 L HA 0.798 5.138 4.340 0.000 0.000 0.283 845 L C 0.793 177.574 176.870 -0.148 0.000 1.013 845 L CA -0.607 54.100 54.840 -0.221 0.000 0.816 845 L CB 1.020 42.940 42.059 -0.231 0.000 1.236 845 L HN 0.993 nan 8.230 nan 0.000 0.419 846 G N 1.828 110.541 108.800 -0.146 0.000 2.619 846 G HA2 0.339 4.299 3.960 0.000 0.000 0.686 846 G HA3 0.339 4.299 3.960 0.000 0.000 0.686 846 G C -0.549 174.277 174.900 -0.122 0.000 1.256 846 G CA -0.460 44.560 45.100 -0.134 0.000 0.826 846 G HN 1.146 nan 8.290 nan 0.000 0.619 847 G N -0.730 107.997 108.800 -0.122 0.000 2.338 847 G HA2 0.622 4.582 3.960 0.000 0.000 0.295 847 G HA3 0.622 4.582 3.960 0.000 0.000 0.295 847 G C -0.803 174.038 174.900 -0.098 0.000 1.461 847 G CA -0.144 44.897 45.100 -0.097 0.000 0.817 847 G HN 0.802 nan 8.290 nan 0.000 0.556 848 E N -0.738 119.417 120.200 -0.075 0.000 2.392 848 E HA 0.478 4.828 4.350 0.000 0.000 0.264 848 E C 0.488 177.027 176.600 -0.103 0.000 1.024 848 E CA 1.222 57.576 56.400 -0.076 0.000 0.903 848 E CB 1.092 30.762 29.700 -0.050 0.000 0.963 848 E HN 1.332 nan 8.360 nan 0.000 0.432 849 G N 2.024 110.740 108.800 -0.140 0.000 2.352 849 G HA2 0.111 4.071 3.960 0.000 0.000 0.305 849 G HA3 0.111 4.071 3.960 0.000 0.000 0.305 849 G C -1.519 173.289 174.900 -0.153 0.000 1.537 849 G CA -0.857 44.122 45.100 -0.203 0.000 0.959 849 G HN 0.313 nan 8.290 nan 0.000 0.668 850 E N 0.057 120.095 120.200 -0.269 0.000 2.367 850 E HA 0.498 4.848 4.350 0.000 0.000 0.273 850 E C -0.158 176.316 176.600 -0.210 0.000 0.903 850 E CA -0.839 55.464 56.400 -0.163 0.000 0.764 850 E CB 2.439 32.040 29.700 -0.164 0.000 1.252 850 E HN 0.505 nan 8.360 nan 0.000 0.446 851 L N 1.343 122.344 121.223 -0.369 0.000 2.416 851 L HA 0.096 4.436 4.340 0.000 0.000 0.272 851 L C 1.122 177.836 176.870 -0.261 0.000 1.161 851 L CA -0.006 54.566 54.840 -0.448 0.000 0.845 851 L CB 0.646 42.263 42.059 -0.737 0.000 1.119 851 L HN 0.478 nan 8.230 nan 0.000 0.464 852 S N 4.357 119.941 115.700 -0.193 0.000 2.553 852 S HA 0.004 4.474 4.470 0.000 0.000 0.293 852 S C -1.064 173.448 174.600 -0.146 0.000 1.296 852 S CA -0.836 57.288 58.200 -0.126 0.000 1.046 852 S CB 0.546 63.684 63.200 -0.103 0.000 0.810 852 S HN 0.544 nan 8.310 nan 0.000 0.505 853 P HA 0.063 nan 4.420 nan 0.000 0.225 853 P C -0.215 177.031 177.300 -0.089 0.000 1.156 853 P CA 0.728 63.770 63.100 -0.097 0.000 0.787 853 P CB 0.009 31.670 31.700 -0.065 0.000 0.802 854 D N 0.518 120.872 120.400 -0.078 0.000 3.071 854 D HA 0.199 4.839 4.640 0.000 0.000 0.259 854 D C 0.385 176.647 176.300 -0.063 0.000 1.331 854 D CA -0.118 53.846 54.000 -0.060 0.000 0.861 854 D CB -0.128 40.645 40.800 -0.045 0.000 1.059 854 D HN 0.233 nan 8.370 nan 0.000 0.486 855 L N 1.097 122.270 121.223 -0.083 0.000 2.380 855 L HA 0.129 4.469 4.340 0.000 0.000 0.273 855 L C 1.583 178.428 176.870 -0.040 0.000 1.138 855 L CA -0.366 54.430 54.840 -0.074 0.000 0.832 855 L CB 0.482 42.473 42.059 -0.112 0.000 1.124 855 L HN 0.050 nan 8.230 nan 0.000 0.454 856 T N -0.325 114.216 114.554 -0.022 0.000 2.795 856 T HA 0.050 4.400 4.350 0.000 0.000 0.314 856 T C 1.105 175.809 174.700 0.007 0.000 1.069 856 T CA -0.528 61.570 62.100 -0.004 0.000 1.071 856 T CB 0.821 69.693 68.868 0.006 0.000 0.988 856 T HN 0.514 nan 8.240 nan 0.000 0.543 857 L N 1.319 122.552 121.223 0.016 0.000 2.079 857 L HA -0.152 4.188 4.340 0.000 0.000 0.210 857 L C 3.079 179.974 176.870 0.042 0.000 1.081 857 L CA 1.707 56.563 54.840 0.027 0.000 0.752 857 L CB -0.611 41.464 42.059 0.026 0.000 0.896 857 L HN 0.835 nan 8.230 nan 0.000 0.433 858 Q N -1.502 118.324 119.800 0.042 0.000 2.172 858 Q HA -0.171 4.169 4.340 0.000 0.000 0.200 858 Q C 1.638 177.679 176.000 0.069 0.000 0.964 858 Q CA 1.408 57.246 55.803 0.058 0.000 0.855 858 Q CB -0.799 27.973 28.738 0.057 0.000 0.918 858 Q HN 0.483 nan 8.270 nan 0.000 0.444 859 N N 1.385 120.114 118.700 0.049 0.000 2.244 859 N HA -0.095 4.645 4.740 0.000 0.000 0.183 859 N C 1.826 177.379 175.510 0.073 0.000 1.016 859 N CA 1.137 54.214 53.050 0.044 0.000 0.866 859 N CB -0.096 38.390 38.487 -0.001 0.000 0.980 859 N HN 0.422 nan 8.380 nan 0.000 0.430 860 Q N -0.071 119.769 119.800 0.067 0.000 2.084 860 Q HA -0.018 4.322 4.340 0.000 0.000 0.202 860 Q C 1.965 178.065 176.000 0.165 0.000 0.978 860 Q CA 1.226 57.099 55.803 0.117 0.000 0.844 860 Q CB -0.109 28.673 28.738 0.073 0.000 0.898 860 Q HN 0.393 nan 8.270 nan 0.000 0.426 861 M N -0.074 119.597 119.600 0.117 0.000 2.132 861 M HA -0.154 4.326 4.480 0.000 0.000 0.263 861 M C 2.060 178.436 176.300 0.127 0.000 1.065 861 M CA 0.995 56.360 55.300 0.108 0.000 1.122 861 M CB -0.210 32.441 32.600 0.085 0.000 1.365 861 M HN 0.179 nan 8.290 nan 0.000 0.411 862 L N -0.606 120.704 121.223 0.144 0.000 2.141 862 L HA -0.166 4.174 4.340 0.000 0.000 0.209 862 L C 2.301 179.346 176.870 0.292 0.000 1.094 862 L CA 1.738 56.675 54.840 0.161 0.000 0.763 862 L CB -0.906 41.217 42.059 0.106 0.000 0.908 862 L HN 0.289 nan 8.230 nan 0.000 0.437 863 Y N 0.027 120.419 120.300 0.153 0.000 2.128 863 Y HA -0.268 4.282 4.550 0.000 0.000 0.284 863 Y C 2.604 178.636 175.900 0.220 0.000 1.154 863 Y CA 1.862 60.060 58.100 0.165 0.000 1.149 863 Y CB -0.733 37.722 38.460 -0.010 0.000 0.976 863 Y HN 0.250 nan 8.280 nan 0.000 0.505 864 S N 0.624 116.320 115.700 -0.006 0.000 2.374 864 S HA -0.220 4.250 4.470 0.000 0.000 0.227 864 S C 1.973 176.549 174.600 -0.041 0.000 1.037 864 S CA 1.755 59.901 58.200 -0.088 0.000 1.024 864 S CB -0.679 62.532 63.200 0.017 0.000 0.861 864 S HN 0.507 nan 8.310 nan 0.000 0.456 865 L N -0.173 121.064 121.223 0.024 0.000 2.456 865 L HA 0.018 4.358 4.340 0.000 0.000 0.224 865 L C 1.655 178.488 176.870 -0.062 0.000 1.148 865 L CA 0.614 55.442 54.840 -0.020 0.000 0.825 865 L CB -0.555 41.490 42.059 -0.023 0.000 0.937 865 L HN 0.231 nan 8.230 nan 0.000 0.450 866 F N 0.132 120.044 119.950 -0.064 0.000 2.451 866 F HA -0.124 4.403 4.527 0.000 0.000 0.299 866 F C 1.523 177.340 175.800 0.027 0.000 1.101 866 F CA 0.922 58.913 58.000 -0.017 0.000 1.436 866 F CB -0.563 38.434 39.000 -0.005 0.000 1.074 866 F HN 0.248 nan 8.300 nan 0.000 0.553 867 N N -0.194 118.556 118.700 0.084 0.000 2.708 867 N HA -0.247 4.493 4.740 0.000 0.000 0.249 867 N C 1.018 176.540 175.510 0.021 0.000 1.097 867 N CA 0.105 53.197 53.050 0.070 0.000 0.710 867 N CB -1.015 37.550 38.487 0.130 0.000 1.032 867 N HN 0.583 nan 8.380 nan 0.000 0.551 868 G N -2.108 106.645 108.800 -0.079 0.000 2.217 868 G HA2 -0.347 3.613 3.960 0.000 0.000 0.246 868 G HA3 -0.347 3.613 3.960 0.000 0.000 0.246 868 G C -0.050 174.588 174.900 -0.437 0.000 0.990 868 G CA 0.458 45.430 45.100 -0.213 0.000 0.627 868 G HN 0.466 nan 8.290 nan 0.000 0.522 869 Y N 0.310 120.589 120.300 -0.035 0.000 2.326 869 Y HA 0.578 5.128 4.550 0.000 0.000 0.333 869 Y C 1.997 177.833 175.900 -0.106 0.000 1.240 869 Y CA -0.117 57.940 58.100 -0.071 0.000 1.365 869 Y CB 0.523 39.035 38.460 0.088 0.000 1.289 869 Y HN -0.021 nan 8.280 nan 0.000 0.548 870 R N 0.562 121.006 120.500 -0.093 0.000 2.140 870 R HA 0.065 4.405 4.340 0.000 0.000 0.213 870 R C -0.501 175.660 176.300 -0.232 0.000 1.059 870 R CA 0.659 56.496 56.100 -0.438 0.000 1.000 870 R CB 0.013 30.009 30.300 -0.505 0.000 0.910 870 R HN 0.714 nan 8.270 nan 0.000 0.455 871 N N -0.300 118.447 118.700 0.079 0.000 2.225 871 N HA 0.359 5.099 4.740 0.000 0.000 0.298 871 N C -1.407 174.222 175.510 0.199 0.000 1.076 871 N CA -0.487 52.679 53.050 0.193 0.000 0.792 871 N CB 2.419 40.926 38.487 0.033 0.000 1.498 871 N HN -0.141 nan 8.380 nan 0.000 0.474 872 I N 1.204 121.876 120.570 0.171 0.000 2.465 872 I HA 0.391 4.561 4.170 0.000 0.000 0.291 872 I C -1.148 175.070 176.117 0.168 0.000 1.014 872 I CA -0.483 60.844 61.300 0.046 0.000 1.093 872 I CB 1.404 39.338 38.000 -0.109 0.000 1.267 872 I HN 0.609 nan 8.210 nan 0.000 0.431 873 W N 6.057 127.340 121.300 -0.028 0.000 2.781 873 W HA 0.528 5.188 4.660 0.000 0.000 0.333 873 W C -1.178 175.412 176.519 0.119 0.000 1.047 873 W CA -1.009 56.335 57.345 -0.003 0.000 1.236 873 W CB 1.877 31.258 29.460 -0.132 0.000 1.394 873 W HN 0.331 nan 8.180 nan 0.000 0.466 874 S N 3.827 119.464 115.700 -0.105 0.000 2.474 874 S HA 0.887 5.357 4.470 0.000 0.000 0.321 874 S C -0.110 174.203 174.600 -0.478 0.000 1.080 874 S CA -0.204 57.814 58.200 -0.302 0.000 1.106 874 S CB 1.077 64.206 63.200 -0.118 0.000 0.984 874 S HN 0.911 nan 8.310 nan 0.000 0.464 875 G N 1.529 109.937 108.800 -0.655 0.000 2.340 875 G HA2 0.414 4.374 3.960 0.000 0.000 0.300 875 G HA3 0.414 4.374 3.960 0.000 0.000 0.300 875 G C -0.945 173.744 174.900 -0.351 0.000 1.488 875 G CA -0.599 44.272 45.100 -0.382 0.000 0.878 875 G HN 0.794 nan 8.290 nan 0.000 0.618 876 S N -0.508 115.179 115.700 -0.022 0.000 2.687 876 S HA 0.844 5.314 4.470 0.000 0.000 0.283 876 S C -0.253 174.521 174.600 0.290 0.000 1.170 876 S CA -0.823 57.425 58.200 0.079 0.000 1.008 876 S CB 1.892 65.122 63.200 0.050 0.000 1.026 876 S HN 1.107 nan 8.310 nan 0.000 0.541 877 L N 1.337 122.775 121.223 0.359 0.000 2.385 877 L HA 0.557 4.897 4.340 0.000 0.000 0.273 877 L C -1.494 175.515 176.870 0.232 0.000 0.990 877 L CA -0.583 54.485 54.840 0.381 0.000 0.821 877 L CB 1.777 44.101 42.059 0.441 0.000 1.279 877 L HN 0.936 nan 8.230 nan 0.000 0.412 878 N N 3.642 122.445 118.700 0.172 0.000 2.664 878 N HA 0.547 5.287 4.740 0.000 0.000 0.257 878 N C -0.753 174.809 175.510 0.086 0.000 1.108 878 N CA -0.081 53.038 53.050 0.116 0.000 0.822 878 N CB 1.694 40.238 38.487 0.095 0.000 1.199 878 N HN 0.622 nan 8.380 nan 0.000 0.529 879 A N 2.391 125.258 122.820 0.078 0.000 3.365 879 A HA 0.354 4.674 4.320 0.000 0.000 0.258 879 A C -1.895 175.715 177.584 0.044 0.000 0.964 879 A CA -0.779 51.288 52.037 0.049 0.000 0.988 879 A CB 0.462 19.480 19.000 0.030 0.000 1.193 879 A HN 0.332 nan 8.150 nan 0.000 0.508 880 P HA -0.106 nan 4.420 nan 0.000 0.222 880 P C -0.110 177.210 177.300 0.034 0.000 1.147 880 P CA 1.463 64.589 63.100 0.043 0.000 0.790 880 P CB 0.209 31.933 31.700 0.039 0.000 0.780 881 D N -1.278 119.137 120.400 0.025 0.000 2.535 881 D HA 0.304 4.944 4.640 0.000 0.000 0.229 881 D C 0.262 176.569 176.300 0.011 0.000 1.238 881 D CA -0.173 53.838 54.000 0.019 0.000 0.824 881 D CB 0.390 41.199 40.800 0.015 0.000 1.045 881 D HN 0.094 nan 8.370 nan 0.000 0.500 882 A N 0.658 123.484 122.820 0.010 0.000 2.325 882 A HA 0.642 4.962 4.320 0.000 0.000 0.333 882 A C 0.267 177.847 177.584 -0.006 0.000 1.155 882 A CA -0.658 51.377 52.037 -0.004 0.000 0.814 882 A CB 0.772 19.765 19.000 -0.012 0.000 1.206 882 A HN 0.080 nan 8.150 nan 0.000 0.482 883 T N -0.196 114.347 114.554 -0.019 0.000 2.744 883 T HA 0.556 4.906 4.350 0.000 0.000 0.291 883 T C -0.629 174.043 174.700 -0.048 0.000 0.957 883 T CA -0.453 61.635 62.100 -0.020 0.000 1.002 883 T CB 0.269 69.127 68.868 -0.016 0.000 0.919 883 T HN 0.533 nan 8.240 nan 0.000 0.468 884 V N 4.267 124.153 119.914 -0.047 0.000 2.409 884 V HA 0.678 4.798 4.120 0.000 0.000 0.291 884 V C 0.147 176.195 176.094 -0.076 0.000 1.020 884 V CA -0.776 61.468 62.300 -0.093 0.000 0.848 884 V CB 1.504 33.264 31.823 -0.106 0.000 0.990 884 V HN 1.064 nan 8.190 nan 0.000 0.430 885 S N 6.865 122.503 115.700 -0.104 0.000 2.561 885 S HA 0.837 5.307 4.470 0.000 0.000 0.303 885 S C -0.899 173.644 174.600 -0.095 0.000 1.110 885 S CA -0.629 57.527 58.200 -0.072 0.000 1.034 885 S CB 1.061 64.225 63.200 -0.060 0.000 1.010 885 S HN 0.633 nan 8.310 nan 0.000 0.482 886 M N 3.232 122.798 119.600 -0.057 0.000 2.464 886 M HA 0.477 4.957 4.480 0.000 0.000 0.308 886 M C -1.031 175.266 176.300 -0.005 0.000 1.127 886 M CA -0.411 54.858 55.300 -0.052 0.000 0.913 886 M CB 2.831 35.409 32.600 -0.037 0.000 1.689 886 M HN 0.603 nan 8.290 nan 0.000 0.445 887 T N 0.403 114.957 114.554 -0.000 0.000 2.916 887 T HA 0.272 4.622 4.350 0.000 0.000 0.298 887 T C -0.674 174.070 174.700 0.074 0.000 1.031 887 T CA -0.524 61.601 62.100 0.041 0.000 0.993 887 T CB 1.323 70.197 68.868 0.010 0.000 1.045 887 T HN 0.802 nan 8.240 nan 0.000 0.454 888 D N 1.335 121.844 120.400 0.182 0.000 2.737 888 D HA -0.127 4.513 4.640 0.000 0.000 0.233 888 D C -0.018 176.443 176.300 0.269 0.000 1.155 888 D CA 1.261 55.420 54.000 0.265 0.000 0.667 888 D CB -0.835 39.995 40.800 0.050 0.000 1.060 888 D HN 0.469 nan 8.370 nan 0.000 0.427 889 T N 0.367 115.062 114.554 0.235 0.000 2.918 889 T HA 0.387 4.737 4.350 0.000 0.000 0.286 889 T C 0.200 174.872 174.700 -0.048 0.000 1.026 889 T CA -0.571 61.601 62.100 0.120 0.000 1.031 889 T CB 2.551 71.455 68.868 0.060 0.000 1.046 889 T HN 0.042 nan 8.240 nan 0.000 0.479 890 Q N 1.953 121.574 119.800 -0.299 0.000 2.425 890 Q HA 0.263 4.603 4.340 0.000 0.000 0.254 890 Q C -1.604 174.374 176.000 -0.037 0.000 1.032 890 Q CA -0.792 54.706 55.803 -0.508 0.000 0.798 890 Q CB 0.684 28.728 28.738 -1.157 0.000 1.210 890 Q HN 0.636 nan 8.270 nan 0.000 0.491 891 W N 3.850 125.066 121.300 -0.139 0.000 2.332 891 W HA 0.352 5.012 4.660 0.000 0.000 0.306 891 W C -0.862 175.564 176.519 -0.154 0.000 1.149 891 W CA -1.032 56.239 57.345 -0.123 0.000 1.271 891 W CB 1.405 30.790 29.460 -0.126 0.000 1.243 891 W HN 0.469 nan 8.180 nan 0.000 0.459 892 S N 8.128 123.870 115.700 0.070 0.000 2.415 892 S HA 0.303 4.773 4.470 0.000 0.000 0.313 892 S C -0.051 174.201 174.600 -0.581 0.000 1.067 892 S CA -0.729 57.365 58.200 -0.178 0.000 1.099 892 S CB -0.456 62.770 63.200 0.044 0.000 0.991 892 S HN 0.569 nan 8.310 nan 0.000 0.491 893 M N 5.904 124.851 119.600 -1.088 0.000 2.201 893 M HA 0.356 4.836 4.480 0.000 0.000 0.345 893 M C -0.192 175.761 176.300 -0.578 0.000 1.352 893 M CA -0.180 54.440 55.300 -1.133 0.000 1.218 893 M CB 0.130 31.667 32.600 -1.771 0.000 1.512 893 M HN 0.449 nan 8.290 nan 0.000 0.447 894 N N 3.390 121.877 118.700 -0.356 0.000 2.398 894 N HA 0.249 4.989 4.740 0.000 0.000 0.188 894 N C 0.317 175.726 175.510 -0.169 0.000 1.122 894 N CA 0.456 53.372 53.050 -0.223 0.000 0.866 894 N CB 0.707 39.095 38.487 -0.164 0.000 0.970 894 N HN 0.835 nan 8.380 nan 0.000 0.462 895 G N -0.588 108.111 108.800 -0.169 0.000 2.548 895 G HA2 0.181 4.141 3.960 0.000 0.000 0.301 895 G HA3 0.181 4.141 3.960 0.000 0.000 0.301 895 G C -1.281 173.559 174.900 -0.099 0.000 1.349 895 G CA -0.787 44.237 45.100 -0.126 0.000 0.792 895 G HN -0.090 nan 8.290 nan 0.000 0.481 896 N N 0.262 118.923 118.700 -0.066 0.000 2.407 896 N HA 0.453 5.193 4.740 0.000 0.000 0.250 896 N C -0.148 175.373 175.510 0.018 0.000 1.236 896 N CA 0.536 53.574 53.050 -0.020 0.000 0.879 896 N CB 0.961 39.438 38.487 -0.015 0.000 1.088 896 N HN 0.487 nan 8.380 nan 0.000 0.450 897 S N -0.768 114.962 115.700 0.049 0.000 2.588 897 S HA 0.778 5.248 4.470 0.000 0.000 0.275 897 S C -0.528 174.149 174.600 0.128 0.000 1.130 897 S CA -0.986 57.286 58.200 0.120 0.000 0.855 897 S CB 1.922 65.244 63.200 0.203 0.000 1.116 897 S HN 0.648 nan 8.310 nan 0.000 0.472 898 T N -1.495 113.146 114.554 0.145 0.000 2.916 898 T HA 0.905 5.255 4.350 0.000 0.000 0.305 898 T C -0.982 173.793 174.700 0.124 0.000 1.119 898 T CA -0.886 61.285 62.100 0.118 0.000 1.008 898 T CB 1.754 70.671 68.868 0.082 0.000 1.129 898 T HN 1.088 nan 8.240 nan 0.000 0.480 899 A N 0.750 123.635 122.820 0.108 0.000 2.574 899 A HA 0.872 5.192 4.320 0.000 0.000 0.297 899 A C 0.833 178.458 177.584 0.068 0.000 1.062 899 A CA -0.373 51.716 52.037 0.087 0.000 0.686 899 A CB 1.207 20.268 19.000 0.101 0.000 1.285 899 A HN 1.282 nan 8.150 nan 0.000 0.403 900 G N 0.658 109.487 108.800 0.049 0.000 2.456 900 G HA2 0.089 4.049 3.960 0.000 0.000 0.213 900 G HA3 0.089 4.049 3.960 0.000 0.000 0.213 900 G C 0.230 175.157 174.900 0.045 0.000 1.215 900 G CA 0.436 45.561 45.100 0.042 0.000 0.805 900 G HN 0.665 nan 8.290 nan 0.000 0.537 901 N N 0.304 119.026 118.700 0.037 0.000 2.443 901 N HA 0.427 5.167 4.740 0.000 0.000 0.269 901 N C -1.331 174.204 175.510 0.041 0.000 0.985 901 N CA -0.212 52.861 53.050 0.038 0.000 0.921 901 N CB 2.141 40.642 38.487 0.024 0.000 1.195 901 N HN 0.227 nan 8.380 nan 0.000 0.492 902 M N 1.657 121.295 119.600 0.064 0.000 2.321 902 M HA 0.343 4.823 4.480 0.000 0.000 0.315 902 M C -1.217 175.129 176.300 0.076 0.000 1.052 902 M CA -0.617 54.729 55.300 0.077 0.000 0.936 902 M CB 1.899 34.578 32.600 0.132 0.000 1.639 902 M HN 0.247 nan 8.290 nan 0.000 0.433 903 K N 6.117 126.548 120.400 0.052 0.000 2.502 903 K HA 0.603 4.923 4.320 0.000 0.000 0.254 903 K C -2.122 174.505 176.600 0.045 0.000 0.947 903 K CA -0.521 55.792 56.287 0.043 0.000 0.834 903 K CB 1.256 33.767 32.500 0.018 0.000 1.112 903 K HN 0.802 nan 8.250 nan 0.000 0.427 904 L N 3.168 124.428 121.223 0.062 0.000 2.342 904 L HA 0.545 4.885 4.340 0.000 0.000 0.271 904 L C -0.496 176.399 176.870 0.040 0.000 1.008 904 L CA -0.977 53.897 54.840 0.058 0.000 0.818 904 L CB 2.033 44.139 42.059 0.078 0.000 1.296 904 L HN 0.724 nan 8.230 nan 0.000 0.427 905 N N 2.047 120.780 118.700 0.056 0.000 2.616 905 N HA 0.230 4.970 4.740 0.000 0.000 0.281 905 N C -0.734 174.858 175.510 0.138 0.000 1.145 905 N CA -0.586 52.502 53.050 0.064 0.000 0.919 905 N CB 1.034 39.544 38.487 0.039 0.000 1.509 905 N HN 0.644 nan 8.380 nan 0.000 0.537 906 R N 0.327 120.946 120.500 0.198 0.000 3.516 906 R HA -0.159 4.181 4.340 0.000 0.000 0.271 906 R C -0.508 176.093 176.300 0.503 0.000 1.098 906 R CA 1.310 57.638 56.100 0.379 0.000 0.732 906 R CB -2.296 28.192 30.300 0.312 0.000 1.152 906 R HN 0.672 nan 8.270 nan 0.000 0.455 907 T N -1.681 113.042 114.554 0.281 0.000 2.885 907 T HA 0.694 5.044 4.350 0.000 0.000 0.285 907 T C 0.012 174.563 174.700 -0.248 0.000 1.019 907 T CA -0.997 61.143 62.100 0.067 0.000 1.010 907 T CB 2.177 71.073 68.868 0.047 0.000 1.022 907 T HN 0.293 nan 8.240 nan 0.000 0.466 908 I N 3.437 123.703 120.570 -0.506 0.000 2.404 908 I HA 0.643 4.813 4.170 0.000 0.000 0.293 908 I C -1.232 174.670 176.117 -0.358 0.000 0.992 908 I CA -1.080 59.862 61.300 -0.596 0.000 1.149 908 I CB 1.489 38.958 38.000 -0.886 0.000 1.315 908 I HN 0.515 nan 8.210 nan 0.000 0.446 909 V N 7.167 126.773 119.914 -0.512 0.000 2.334 909 V HA 0.498 4.618 4.120 0.000 0.000 0.281 909 V C 0.531 176.097 176.094 -0.880 0.000 1.016 909 V CA -0.457 61.466 62.300 -0.630 0.000 0.832 909 V CB 1.115 32.516 31.823 -0.702 0.000 0.999 909 V HN 0.872 nan 8.190 nan 0.000 0.439 910 G N 3.975 111.868 108.800 -1.512 0.000 2.335 910 G HA2 0.568 4.528 3.960 0.000 0.000 0.314 910 G HA3 0.568 4.528 3.960 0.000 0.000 0.314 910 G C -0.669 173.406 174.900 -1.376 0.000 1.129 910 G CA -0.386 43.352 45.100 -2.271 0.000 0.912 910 G HN 0.442 nan 8.290 nan 0.000 0.443 911 F N 2.208 121.684 119.950 -0.790 0.000 2.543 911 F HA 0.257 4.784 4.527 0.000 0.000 0.375 911 F C 0.831 176.381 175.800 -0.418 0.000 1.075 911 F CA 0.225 57.910 58.000 -0.524 0.000 1.225 911 F CB 1.041 39.837 39.000 -0.340 0.000 1.099 911 F HN 0.415 nan 8.300 nan 0.000 0.561 912 N N 0.655 119.221 118.700 -0.223 0.000 2.774 912 N HA 0.653 5.393 4.740 0.000 0.000 0.264 912 N C -0.243 175.192 175.510 -0.125 0.000 1.415 912 N CA 0.387 53.339 53.050 -0.163 0.000 0.815 912 N CB 1.712 40.084 38.487 -0.191 0.000 1.514 912 N HN 0.794 nan 8.380 nan 0.000 0.523 919 T N 0.023 114.563 114.554 -0.024 0.000 2.902 919 T HA 0.782 5.132 4.350 0.000 0.000 0.280 919 T C -0.195 174.542 174.700 0.061 0.000 0.992 919 T CA 0.053 62.147 62.100 -0.009 0.000 1.015 919 T CB 1.772 70.635 68.868 -0.009 0.000 1.044 919 T HN 0.389 nan 8.240 nan 0.000 0.520 920 T N 3.869 118.490 114.554 0.111 0.000 2.881 920 T HA 0.512 4.862 4.350 0.000 0.000 0.290 920 T C -1.312 173.493 174.700 0.176 0.000 1.000 920 T CA -0.710 61.469 62.100 0.132 0.000 0.978 920 T CB 1.171 70.064 68.868 0.042 0.000 0.997 920 T HN 0.617 nan 8.240 nan 0.000 0.443 921 L N 3.976 125.345 121.223 0.244 0.000 2.313 921 L HA 0.790 5.130 4.340 0.000 0.000 0.283 921 L C -0.478 176.448 176.870 0.094 0.000 1.013 921 L CA -0.305 54.611 54.840 0.126 0.000 0.816 921 L CB 1.554 43.649 42.059 0.060 0.000 1.236 921 L HN 0.827 nan 8.230 nan 0.000 0.419 922 T N 2.109 116.715 114.554 0.086 0.000 2.886 922 T HA 0.667 5.017 4.350 0.000 0.000 0.292 922 T C -0.569 174.179 174.700 0.081 0.000 1.012 922 T CA -0.230 61.910 62.100 0.066 0.000 0.982 922 T CB 1.685 70.582 68.868 0.047 0.000 1.018 922 T HN 0.824 nan 8.240 nan 0.000 0.451 923 T N 1.254 115.853 114.554 0.075 0.000 2.903 923 T HA 0.457 4.807 4.350 0.000 0.000 0.299 923 T C 0.063 174.803 174.700 0.067 0.000 1.093 923 T CA -0.683 61.466 62.100 0.082 0.000 1.002 923 T CB 1.937 70.869 68.868 0.107 0.000 1.127 923 T HN 0.469 nan 8.240 nan 0.000 0.488 924 D N 1.537 121.974 120.400 0.061 0.000 2.091 924 D HA 0.024 4.664 4.640 0.000 0.000 0.199 924 D C 0.187 176.524 176.300 0.062 0.000 0.980 924 D CA 1.163 55.196 54.000 0.055 0.000 0.831 924 D CB 0.070 40.897 40.800 0.046 0.000 0.987 924 D HN 0.583 nan 8.370 nan 0.000 0.460 925 N N 0.619 119.357 118.700 0.063 0.000 2.372 925 N HA 0.356 5.096 4.740 0.000 0.000 0.285 925 N C -1.066 174.493 175.510 0.082 0.000 1.008 925 N CA -0.471 52.619 53.050 0.067 0.000 0.880 925 N CB 2.779 41.298 38.487 0.054 0.000 1.239 925 N HN 0.014 nan 8.380 nan 0.000 0.484 926 L N 1.852 123.132 121.223 0.095 0.000 2.349 926 L HA 0.431 4.771 4.340 0.000 0.000 0.278 926 L C -0.982 175.945 176.870 0.094 0.000 0.996 926 L CA -0.498 54.413 54.840 0.118 0.000 0.825 926 L CB 1.436 43.593 42.059 0.164 0.000 1.243 926 L HN 0.367 nan 8.230 nan 0.000 0.412 927 D N 4.740 125.188 120.400 0.079 0.000 2.460 927 D HA 0.631 5.271 4.640 0.000 0.000 0.232 927 D C -1.141 175.185 176.300 0.043 0.000 1.079 927 D CA -0.079 53.950 54.000 0.047 0.000 0.864 927 D CB 1.473 42.295 40.800 0.037 0.000 1.048 927 D HN 0.698 nan 8.370 nan 0.000 0.523 928 A N 3.454 126.283 122.820 0.014 0.000 2.319 928 A HA 0.640 4.960 4.320 0.000 0.000 0.310 928 A C -0.994 176.519 177.584 -0.118 0.000 1.152 928 A CA -0.646 51.400 52.037 0.015 0.000 0.783 928 A CB 1.337 20.414 19.000 0.129 0.000 1.184 928 A HN 0.343 nan 8.150 nan 0.000 0.474 929 V N 3.103 122.937 119.914 -0.134 0.000 2.540 929 V HA 0.315 4.435 4.120 0.000 0.000 0.302 929 V C 0.403 176.416 176.094 -0.134 0.000 1.035 929 V CA -0.399 61.721 62.300 -0.300 0.000 0.873 929 V CB 1.222 32.846 31.823 -0.331 0.000 0.992 929 V HN 1.075 nan 8.190 nan 0.000 0.428 930 Q N 1.453 121.174 119.800 -0.131 0.000 2.407 930 Q HA -0.197 4.143 4.340 0.000 0.000 0.277 930 Q C 0.364 176.439 176.000 0.125 0.000 1.161 930 Q CA 0.848 56.645 55.803 -0.010 0.000 0.924 930 Q CB -0.905 27.817 28.738 -0.026 0.000 1.318 930 Q HN 0.790 nan 8.270 nan 0.000 0.513 931 S N -0.892 114.900 115.700 0.154 0.000 2.718 931 S HA 0.867 5.337 4.470 0.000 0.000 0.300 931 S C -0.212 174.551 174.600 0.270 0.000 1.117 931 S CA -0.356 57.981 58.200 0.228 0.000 1.002 931 S CB 2.054 65.283 63.200 0.049 0.000 1.092 931 S HN 0.428 nan 8.310 nan 0.000 0.542 932 A N 0.764 123.659 122.820 0.126 0.000 2.475 932 A HA 0.828 5.148 4.320 0.000 0.000 0.301 932 A C -1.730 175.714 177.584 -0.233 0.000 1.059 932 A CA -0.622 51.544 52.037 0.216 0.000 0.710 932 A CB 0.718 20.021 19.000 0.505 0.000 1.288 932 A HN 0.578 nan 8.150 nan 0.000 0.408 933 F N 1.019 121.104 119.950 0.225 0.000 2.449 933 F HA 0.490 5.017 4.527 0.000 0.000 0.342 933 F C -0.002 175.881 175.800 0.137 0.000 1.127 933 F CA -0.701 57.368 58.000 0.114 0.000 0.975 933 F CB 2.337 41.424 39.000 0.144 0.000 1.146 933 F HN 0.234 nan 8.300 nan 0.000 0.444 934 V N 5.356 125.339 119.914 0.115 0.000 2.320 934 V HA 0.320 4.440 4.120 0.000 0.000 0.265 934 V C 0.196 176.365 176.094 0.124 0.000 1.048 934 V CA -0.530 61.821 62.300 0.085 0.000 0.865 934 V CB 0.161 31.932 31.823 -0.087 0.000 1.043 934 V HN 0.645 nan 8.190 nan 0.000 0.474 935 M N 4.432 124.077 119.600 0.075 0.000 2.409 935 M HA 0.652 5.132 4.480 0.000 0.000 0.329 935 M C -0.267 175.943 176.300 -0.151 0.000 1.180 935 M CA -0.540 54.673 55.300 -0.145 0.000 1.053 935 M CB 1.553 33.963 32.600 -0.317 0.000 1.586 935 M HN 0.421 nan 8.290 nan 0.000 0.461 936 R N 0.120 120.510 120.500 -0.183 0.000 2.732 936 R HA 0.850 5.190 4.340 0.000 0.000 0.278 936 R C -0.625 175.581 176.300 -0.157 0.000 0.976 936 R CA -0.498 55.523 56.100 -0.132 0.000 0.963 936 R CB 2.121 32.389 30.300 -0.053 0.000 1.150 936 R HN 0.750 nan 8.270 nan 0.000 0.478 942 A N 0.995 123.757 122.820 -0.096 0.000 2.564 942 A HA 0.600 4.920 4.320 0.000 0.000 0.288 942 A C -1.386 176.089 177.584 -0.181 0.000 1.164 942 A CA -0.776 51.178 52.037 -0.138 0.000 0.712 942 A CB 0.910 19.809 19.000 -0.169 0.000 1.303 942 A HN 0.619 nan 8.150 nan 0.000 0.418 943 D N 0.460 120.681 120.400 -0.299 0.000 2.378 943 D HA 0.343 4.983 4.640 0.000 0.000 0.238 943 D C -0.293 175.627 176.300 -0.633 0.000 1.180 943 D CA 0.744 54.406 54.000 -0.564 0.000 0.895 943 D CB 0.719 40.931 40.800 -0.980 0.000 1.192 943 D HN 0.447 nan 8.370 nan 0.000 0.438 944 K N 0.398 120.377 120.400 -0.702 0.000 2.523 944 K HA 0.422 4.742 4.320 0.000 0.000 0.257 944 K C -1.747 174.673 176.600 -0.301 0.000 0.932 944 K CA -0.780 55.243 56.287 -0.440 0.000 0.812 944 K CB 1.664 34.030 32.500 -0.223 0.000 1.326 944 K HN 0.196 nan 8.250 nan 0.000 0.433 945 L N 3.814 124.876 121.223 -0.269 0.000 2.341 945 L HA 0.616 4.956 4.340 0.000 0.000 0.278 945 L C -1.725 175.036 176.870 -0.181 0.000 1.005 945 L CA -0.441 54.288 54.840 -0.185 0.000 0.818 945 L CB 1.886 43.689 42.059 -0.426 0.000 1.259 945 L HN 0.353 nan 8.230 nan 0.000 0.418 946 V N 6.433 126.297 119.914 -0.083 0.000 2.487 946 V HA 0.552 4.672 4.120 0.000 0.000 0.298 946 V C -0.453 175.634 176.094 -0.011 0.000 1.028 946 V CA -0.319 61.955 62.300 -0.044 0.000 0.860 946 V CB 1.682 33.498 31.823 -0.012 0.000 0.991 946 V HN 0.650 nan 8.190 nan 0.000 0.427 947 I N 5.112 125.686 120.570 0.007 0.000 2.465 947 I HA 0.492 4.662 4.170 0.000 0.000 0.291 947 I C -0.043 176.109 176.117 0.058 0.000 1.014 947 I CA -0.230 61.097 61.300 0.045 0.000 1.093 947 I CB 2.070 40.111 38.000 0.069 0.000 1.267 947 I HN 0.744 nan 8.210 nan 0.000 0.431 948 N N 6.296 125.029 118.700 0.056 0.000 2.750 948 N HA 0.413 5.153 4.740 0.000 0.000 0.253 948 N C -0.297 175.245 175.510 0.053 0.000 1.408 948 N CA -0.552 52.530 53.050 0.053 0.000 0.780 948 N CB 1.762 40.275 38.487 0.042 0.000 1.191 948 N HN 0.702 nan 8.380 nan 0.000 0.511 949 K N -0.276 120.160 120.400 0.060 0.000 1.723 949 K HA 0.029 4.349 4.320 0.000 0.000 0.129 949 K C -1.207 175.430 176.600 0.061 0.000 2.520 949 K CA 0.195 56.515 56.287 0.054 0.000 1.153 949 K CB -0.303 32.226 32.500 0.048 0.000 2.797 949 K HN 0.249 nan 8.250 nan 0.000 0.359 950 S N -0.709 115.033 115.700 0.070 0.000 2.535 950 S HA 0.798 5.268 4.470 0.000 0.000 0.272 950 S C -2.194 172.461 174.600 0.091 0.000 1.149 950 S CA 0.032 58.277 58.200 0.076 0.000 0.888 950 S CB 1.949 65.186 63.200 0.062 0.000 1.110 950 S HN 0.419 nan 8.310 nan 0.000 0.463 951 A N 3.030 125.910 122.820 0.100 0.000 2.599 951 A HA 0.701 5.021 4.320 0.000 0.000 0.281 951 A C -0.104 177.523 177.584 0.073 0.000 1.137 951 A CA -0.275 51.825 52.037 0.106 0.000 0.767 951 A CB 0.575 19.674 19.000 0.164 0.000 1.266 951 A HN 1.027 nan 8.150 nan 0.000 0.420 952 T N -0.947 113.634 114.554 0.045 0.000 2.762 952 T HA 0.983 5.333 4.350 0.000 0.000 0.272 952 T C 0.688 175.384 174.700 -0.007 0.000 0.982 952 T CA -0.042 62.077 62.100 0.032 0.000 1.013 952 T CB 1.286 70.183 68.868 0.048 0.000 1.309 952 T HN 2.493 nan 8.240 nan 0.000 0.572 953 G N 0.307 109.119 108.800 0.019 0.000 2.451 953 G HA2 0.375 4.335 3.960 0.000 0.000 0.208 953 G HA3 0.375 4.335 3.960 0.000 0.000 0.208 953 G C -0.667 174.250 174.900 0.027 0.000 1.248 953 G CA 0.617 45.695 45.100 -0.036 0.000 0.989 953 G HN 2.469 nan 8.290 nan 0.000 0.559 954 H N -2.536 116.485 119.070 -0.082 0.000 2.938 954 H HA 0.528 5.084 4.556 0.000 0.000 0.273 954 H C -0.417 174.872 175.328 -0.065 0.000 1.380 954 H CA -0.030 55.969 56.048 -0.081 0.000 1.314 954 H CB 0.405 30.147 29.762 -0.034 0.000 1.880 954 H HN 0.952 nan 8.280 nan 0.000 0.489 955 D N 0.656 121.097 120.400 0.069 0.000 2.716 955 D HA -0.161 4.479 4.640 0.000 0.000 0.239 955 D C -0.938 175.375 176.300 0.022 0.000 1.125 955 D CA 0.717 54.754 54.000 0.062 0.000 0.681 955 D CB -0.997 39.884 40.800 0.134 0.000 1.070 955 D HN 0.613 nan 8.370 nan 0.000 0.432 956 N N 0.381 119.075 118.700 -0.009 0.000 2.399 956 N HA 0.343 5.083 4.740 0.000 0.000 0.295 956 N C -0.272 175.371 175.510 0.223 0.000 1.048 956 N CA -0.311 52.805 53.050 0.110 0.000 0.886 956 N CB 1.803 40.320 38.487 0.049 0.000 1.185 956 N HN -0.108 nan 8.380 nan 0.000 0.487 957 S N 1.115 117.010 115.700 0.324 0.000 2.565 957 S HA 0.562 5.032 4.470 0.000 0.000 0.290 957 S C 0.131 174.994 174.600 0.437 0.000 1.150 957 S CA -0.595 57.791 58.200 0.309 0.000 1.058 957 S CB 0.894 64.247 63.200 0.254 0.000 1.032 957 S HN 0.337 nan 8.310 nan 0.000 0.510 958 I N 2.433 123.186 120.570 0.306 0.000 2.354 958 I HA 0.342 4.512 4.170 0.000 0.000 0.286 958 I C -0.915 175.357 176.117 0.259 0.000 1.007 958 I CA -0.175 61.309 61.300 0.306 0.000 1.167 958 I CB 0.620 38.705 38.000 0.141 0.000 1.320 958 I HN 0.566 nan 8.210 nan 0.000 0.458 959 W N 5.636 127.012 121.300 0.127 0.000 2.303 959 W HA 0.631 5.291 4.660 0.000 0.000 0.334 959 W C -0.345 176.172 176.519 -0.004 0.000 1.197 959 W CA -0.635 56.764 57.345 0.089 0.000 1.262 959 W CB 0.587 30.116 29.460 0.115 0.000 1.153 959 W HN 0.025 nan 8.180 nan 0.000 0.596 960 V N 2.388 122.401 119.914 0.165 0.000 2.525 960 V HA 0.177 4.297 4.120 0.000 0.000 0.299 960 V C -0.545 175.460 176.094 -0.148 0.000 1.034 960 V CA -1.352 60.846 62.300 -0.170 0.000 0.863 960 V CB 1.403 32.875 31.823 -0.585 0.000 0.999 960 V HN 0.558 nan 8.190 nan 0.000 0.423 961 N N 4.316 122.951 118.700 -0.108 0.000 2.469 961 N HA 0.370 5.110 4.740 0.000 0.000 0.239 961 N C -0.914 174.551 175.510 -0.076 0.000 1.053 961 N CA -0.503 52.547 53.050 0.001 0.000 0.937 961 N CB 0.302 38.824 38.487 0.059 0.000 1.163 961 N HN 0.515 nan 8.380 nan 0.000 0.509 962 F N 4.067 124.057 119.950 0.068 0.000 2.462 962 F HA 0.129 4.656 4.527 0.000 0.000 0.360 962 F C 1.316 177.147 175.800 0.052 0.000 1.134 962 F CA -0.446 57.574 58.000 0.034 0.000 1.148 962 F CB 0.603 39.599 39.000 -0.006 0.000 1.147 962 F HN 0.434 nan 8.300 nan 0.000 0.550 963 L N 2.895 124.220 121.223 0.170 0.000 2.109 963 L HA -0.062 4.278 4.340 0.000 0.000 0.207 963 L C 1.149 178.089 176.870 0.116 0.000 1.086 963 L CA 0.869 55.789 54.840 0.134 0.000 0.760 963 L CB -0.361 41.747 42.059 0.082 0.000 0.910 963 L HN 0.431 nan 8.230 nan 0.000 0.437 964 K N 1.762 122.226 120.400 0.107 0.000 2.240 964 K HA 0.319 4.639 4.320 0.000 0.000 0.271 964 K C -0.632 176.002 176.600 0.057 0.000 1.018 964 K CA -0.782 55.543 56.287 0.064 0.000 0.874 964 K CB 1.466 33.989 32.500 0.040 0.000 1.098 964 K HN -0.087 nan 8.250 nan 0.000 0.458 965 K N 3.815 124.217 120.400 0.003 0.000 2.349 965 K HA 0.219 4.539 4.320 0.000 0.000 0.288 965 K C -2.041 174.440 176.600 -0.199 0.000 1.058 965 K CA -0.990 55.237 56.287 -0.100 0.000 0.953 965 K CB 0.359 32.813 32.500 -0.077 0.000 0.997 965 K HN 0.421 nan 8.250 nan 0.000 0.477 966 P HA 0.171 nan 4.420 nan 0.000 0.278 966 P C -1.002 176.096 177.300 -0.336 0.000 1.266 966 P CA -0.802 62.060 63.100 -0.396 0.000 0.807 966 P CB 1.601 32.929 31.700 -0.619 0.000 1.094 967 S N -0.215 115.429 115.700 -0.093 0.000 2.599 967 S HA 0.377 4.847 4.470 0.000 0.000 0.294 967 S C -0.085 174.625 174.600 0.183 0.000 1.094 967 S CA -0.961 57.272 58.200 0.055 0.000 0.931 967 S CB 0.627 63.839 63.200 0.021 0.000 1.093 967 S HN 0.593 nan 8.310 nan 0.000 0.488 968 N N 2.013 120.818 118.700 0.176 0.000 2.288 968 N HA 0.160 4.900 4.740 0.000 0.000 0.237 968 N C -0.014 175.531 175.510 0.059 0.000 1.311 968 N CA -0.329 52.790 53.050 0.114 0.000 0.909 968 N CB 0.153 38.670 38.487 0.051 0.000 1.167 968 N HN 0.769 nan 8.380 nan 0.000 0.476 969 K N -1.170 119.243 120.400 0.021 0.000 4.770 969 K HA -0.235 4.085 4.320 0.000 0.000 0.417 969 K C -0.870 175.743 176.600 0.021 0.000 0.474 969 K CA 2.299 58.593 56.287 0.011 0.000 1.797 969 K CB -1.414 31.091 32.500 0.010 0.000 1.001 969 K HN 0.786 nan 8.250 nan 0.000 0.567 970 D N 1.025 121.449 120.400 0.041 0.000 2.462 970 D HA 0.303 4.943 4.640 0.000 0.000 0.249 970 D C -1.203 175.128 176.300 0.051 0.000 1.117 970 D CA 0.261 54.283 54.000 0.037 0.000 0.900 970 D CB 1.075 41.892 40.800 0.027 0.000 1.039 970 D HN 0.124 nan 8.370 nan 0.000 0.516 971 T N 1.584 116.166 114.554 0.047 0.000 1.969 971 T HA -0.137 4.213 4.350 0.000 0.000 0.592 971 T C -0.976 173.761 174.700 0.062 0.000 0.903 971 T CA 0.052 62.178 62.100 0.044 0.000 3.149 971 T CB -0.934 67.951 68.868 0.027 0.000 1.870 971 T HN 0.195 nan 8.240 nan 0.000 0.458 972 L N 3.046 124.312 121.223 0.071 0.000 2.406 972 L HA 0.753 5.093 4.340 0.000 0.000 0.272 972 L C -0.059 176.846 176.870 0.059 0.000 0.980 972 L CA -0.256 54.635 54.840 0.085 0.000 0.831 972 L CB 2.151 44.297 42.059 0.146 0.000 1.253 972 L HN 0.488 nan 8.230 nan 0.000 0.406 973 D N 3.650 124.074 120.400 0.039 0.000 2.968 973 D HA 0.359 4.999 4.640 0.000 0.000 0.301 973 D C -1.204 175.102 176.300 0.009 0.000 1.226 973 D CA -0.003 54.010 54.000 0.022 0.000 0.746 973 D CB 0.388 41.194 40.800 0.011 0.000 1.278 973 D HN 0.379 nan 8.370 nan 0.000 0.544 974 I N 1.817 122.394 120.570 0.011 0.000 2.390 974 I HA 0.356 4.526 4.170 0.000 0.000 0.283 974 I C -2.236 173.871 176.117 -0.017 0.000 1.016 974 I CA -2.223 59.070 61.300 -0.011 0.000 1.151 974 I CB 1.837 39.825 38.000 -0.020 0.000 1.293 974 I HN -0.071 nan 8.210 nan 0.000 0.458 975 P HA 0.052 nan 4.420 nan 0.000 0.266 975 P C 0.188 177.451 177.300 -0.062 0.000 1.215 975 P CA -0.132 62.957 63.100 -0.018 0.000 0.763 975 P CB 0.853 32.544 31.700 -0.014 0.000 0.806 976 L N 4.137 125.323 121.223 -0.063 0.000 2.470 976 L HA 0.172 4.512 4.340 0.000 0.000 0.219 976 L C 0.534 177.263 176.870 -0.234 0.000 1.071 976 L CA 0.768 55.512 54.840 -0.159 0.000 0.850 976 L CB 0.328 42.302 42.059 -0.140 0.000 1.040 976 L HN 0.130 nan 8.230 nan 0.000 0.475 977 V N -1.735 118.085 119.914 -0.157 0.000 2.971 977 V HA 0.659 4.779 4.120 0.000 0.000 0.309 977 V C -0.784 175.307 176.094 -0.006 0.000 1.130 977 V CA -0.722 61.416 62.300 -0.269 0.000 0.964 977 V CB 2.177 33.564 31.823 -0.727 0.000 1.029 977 V HN 0.043 nan 8.190 nan 0.000 0.427 978 S N 2.122 117.810 115.700 -0.020 0.000 2.548 978 S HA 0.953 5.423 4.470 0.000 0.000 0.276 978 S C -0.811 173.860 174.600 0.117 0.000 1.129 978 S CA 0.324 58.581 58.200 0.095 0.000 0.931 978 S CB 1.827 65.047 63.200 0.033 0.000 1.068 978 S HN 1.864 nan 8.310 nan 0.000 0.480 979 A N 3.998 126.947 122.820 0.216 0.000 2.602 979 A HA 0.925 5.245 4.320 0.000 0.000 0.290 979 A C -3.242 174.449 177.584 0.180 0.000 1.114 979 A CA -1.628 50.538 52.037 0.215 0.000 0.683 979 A CB 0.632 19.834 19.000 0.337 0.000 1.281 979 A HN 0.601 nan 8.150 nan 0.000 0.416 980 P HA 0.052 nan 4.420 nan 0.000 0.266 980 P C 0.517 177.887 177.300 0.116 0.000 1.186 980 P CA 0.432 63.598 63.100 0.111 0.000 0.767 980 P CB 0.508 32.267 31.700 0.099 0.000 0.820 981 E N 2.444 122.687 120.200 0.072 0.000 2.118 981 E HA -0.217 4.133 4.350 0.000 0.000 0.195 981 E C 1.470 178.101 176.600 0.051 0.000 0.992 981 E CA 1.295 57.722 56.400 0.045 0.000 0.804 981 E CB -0.267 29.446 29.700 0.023 0.000 0.741 981 E HN 0.503 nan 8.360 nan 0.000 0.458 982 A N 0.608 123.466 122.820 0.063 0.000 2.261 982 A HA 0.027 4.347 4.320 0.000 0.000 0.208 982 A C 0.582 178.224 177.584 0.097 0.000 1.223 982 A CA 0.209 52.284 52.037 0.064 0.000 0.833 982 A CB -0.171 18.861 19.000 0.053 0.000 0.830 982 A HN 0.036 nan 8.150 nan 0.000 0.483 983 T N 1.982 116.625 114.554 0.148 0.000 2.851 983 T HA 0.439 4.789 4.350 0.000 0.000 0.298 983 T C 0.694 175.532 174.700 0.229 0.000 0.977 983 T CA 0.271 62.505 62.100 0.222 0.000 1.126 983 T CB 0.937 70.032 68.868 0.377 0.000 0.916 983 T HN 0.578 nan 8.240 nan 0.000 0.529 984 A N 3.324 126.262 122.820 0.196 0.000 2.584 984 A HA 0.022 4.342 4.320 0.000 0.000 0.239 984 A C 1.192 178.960 177.584 0.306 0.000 1.043 984 A CA -0.280 51.866 52.037 0.183 0.000 0.756 984 A CB -0.199 18.883 19.000 0.135 0.000 0.963 984 A HN 0.924 nan 8.150 nan 0.000 0.511 985 D N 1.156 121.678 120.400 0.203 0.000 2.182 985 D HA -0.176 4.464 4.640 0.000 0.000 0.201 985 D C 1.427 177.975 176.300 0.413 0.000 0.986 985 D CA 2.033 56.165 54.000 0.220 0.000 0.847 985 D CB -0.003 40.828 40.800 0.053 0.000 0.942 985 D HN 0.794 nan 8.370 nan 0.000 0.467 986 N N 0.318 119.182 118.700 0.273 0.000 2.322 986 N HA -0.029 4.711 4.740 0.000 0.000 0.194 986 N C 1.320 176.919 175.510 0.148 0.000 1.126 986 N CA -0.044 53.133 53.050 0.212 0.000 0.845 986 N CB -0.188 38.373 38.487 0.123 0.000 0.976 986 N HN 0.122 nan 8.380 nan 0.000 0.475 987 L N -0.536 120.766 121.223 0.132 0.000 2.083 987 L HA 0.264 4.604 4.340 0.000 0.000 0.209 987 L C -0.288 176.239 176.870 -0.570 0.000 1.083 987 L CA 1.377 56.066 54.840 -0.251 0.000 0.752 987 L CB -0.280 41.555 42.059 -0.373 0.000 0.899 987 L HN 0.076 nan 8.230 nan 0.000 0.433 988 F N -0.919 118.989 119.950 -0.070 0.000 2.563 988 F HA 0.571 5.098 4.527 0.000 0.000 0.316 988 F C 0.180 176.022 175.800 0.069 0.000 1.076 988 F CA -0.897 56.986 58.000 -0.194 0.000 0.921 988 F CB 1.399 39.903 39.000 -0.827 0.000 1.209 988 F HN -0.140 nan 8.300 nan 0.000 0.462 989 R N 1.214 121.877 120.500 0.272 0.000 2.710 989 R HA 0.863 5.203 4.340 0.000 0.000 0.270 989 R C -1.646 174.760 176.300 0.176 0.000 1.021 989 R CA -1.223 55.020 56.100 0.238 0.000 0.889 989 R CB 1.383 31.784 30.300 0.167 0.000 1.243 989 R HN 0.735 nan 8.270 nan 0.000 0.464 990 A N 1.834 124.739 122.820 0.141 0.000 2.531 990 A HA 0.212 4.532 4.320 0.000 0.000 0.236 990 A C 0.470 178.048 177.584 -0.009 0.000 1.062 990 A CA 0.299 52.385 52.037 0.081 0.000 0.760 990 A CB 0.349 19.397 19.000 0.079 0.000 0.995 990 A HN 0.735 nan 8.150 nan 0.000 0.501 991 S N 0.667 116.295 115.700 -0.119 0.000 2.580 991 S HA 0.177 4.647 4.470 0.000 0.000 0.261 991 S C 1.146 175.571 174.600 -0.292 0.000 1.366 991 S CA 0.705 58.660 58.200 -0.407 0.000 0.996 991 S CB 0.441 63.028 63.200 -1.023 0.000 0.902 991 S HN 0.770 nan 8.310 nan 0.000 0.566 992 T N 1.726 116.057 114.554 -0.372 0.000 3.004 992 T HA 0.335 4.685 4.350 0.000 0.000 0.266 992 T C 0.110 174.681 174.700 -0.214 0.000 0.986 992 T CA -0.078 61.898 62.100 -0.206 0.000 0.902 992 T CB 0.119 68.899 68.868 -0.147 0.000 1.118 992 T HN 0.456 nan 8.240 nan 0.000 0.522 993 R N 0.575 120.830 120.500 -0.408 0.000 2.807 993 R HA 0.663 5.003 4.340 0.000 0.000 0.276 993 R C -1.109 175.095 176.300 -0.159 0.000 0.979 993 R CA -0.541 55.395 56.100 -0.273 0.000 0.928 993 R CB 2.030 32.171 30.300 -0.264 0.000 1.191 993 R HN 0.063 nan 8.270 nan 0.000 0.471 994 V N 3.469 123.438 119.914 0.091 0.000 2.607 994 V HA 0.209 4.329 4.120 0.000 0.000 0.289 994 V C 0.323 176.651 176.094 0.390 0.000 1.053 994 V CA 0.056 62.485 62.300 0.215 0.000 0.996 994 V CB 1.487 33.401 31.823 0.151 0.000 0.995 994 V HN 0.637 nan 8.190 nan 0.000 0.476 995 V N 5.752 125.912 119.914 0.410 0.000 2.484 995 V HA 0.316 4.436 4.120 0.000 0.000 0.236 995 V C 1.808 177.960 176.094 0.097 0.000 1.062 995 V CA 1.313 63.802 62.300 0.316 0.000 1.081 995 V CB -1.225 30.789 31.823 0.320 0.000 0.751 995 V HN 0.974 nan 8.190 nan 0.000 0.484 996 G N -0.840 108.025 108.800 0.108 0.000 2.803 996 G HA2 0.109 4.069 3.960 0.000 0.000 0.177 996 G HA3 0.109 4.069 3.960 0.000 0.000 0.177 996 G C 0.174 174.953 174.900 -0.203 0.000 1.629 996 G CA -0.006 45.094 45.100 -0.000 0.000 1.077 996 G HN 0.305 nan 8.290 nan 0.000 0.556 997 F N -0.164 119.845 119.950 0.098 0.000 2.647 997 F HA 0.302 4.829 4.527 0.000 0.000 0.300 997 F C 2.377 178.207 175.800 0.051 0.000 1.106 997 F CA -0.160 57.877 58.000 0.062 0.000 1.313 997 F CB 1.018 40.042 39.000 0.039 0.000 1.007 997 F HN 0.124 nan 8.300 nan 0.000 0.536 998 S N -0.446 115.364 115.700 0.184 0.000 2.436 998 S HA -0.114 4.356 4.470 0.000 0.000 0.228 998 S C 0.491 175.107 174.600 0.027 0.000 1.014 998 S CA 0.747 58.998 58.200 0.086 0.000 0.950 998 S CB -0.193 63.056 63.200 0.081 0.000 0.784 998 S HN 0.434 nan 8.310 nan 0.000 0.504 999 D N 0.165 120.600 120.400 0.059 0.000 2.955 999 D HA -0.133 4.507 4.640 0.000 0.000 0.226 999 D C -0.134 176.186 176.300 0.034 0.000 1.178 999 D CA 1.139 55.167 54.000 0.046 0.000 0.808 999 D CB -2.010 38.814 40.800 0.039 0.000 1.099 999 D HN 0.480 nan 8.370 nan 0.000 0.421 1000 V N -5.334 114.590 119.914 0.017 0.000 3.158 1000 V HA 0.904 5.024 4.120 0.000 0.000 0.315 1000 V C 0.241 176.411 176.094 0.127 0.000 1.148 1000 V CA -0.474 61.829 62.300 0.005 0.000 1.042 1000 V CB 2.814 34.514 31.823 -0.205 0.000 1.101 1000 V HN -0.063 nan 8.190 nan 0.000 0.448 1001 T N 2.825 117.481 114.554 0.171 0.000 2.916 1001 T HA 0.611 4.961 4.350 0.000 0.000 0.298 1001 T C -3.002 171.901 174.700 0.338 0.000 1.031 1001 T CA -0.992 61.248 62.100 0.235 0.000 0.993 1001 T CB 2.234 71.163 68.868 0.101 0.000 1.045 1001 T HN 0.851 nan 8.240 nan 0.000 0.454 1002 P HA 0.349 nan 4.420 nan 0.000 0.272 1002 P C -0.901 176.532 177.300 0.222 0.000 1.223 1002 P CA -0.219 63.114 63.100 0.387 0.000 0.784 1002 P CB 0.725 32.556 31.700 0.219 0.000 0.923 1003 I N 2.148 122.845 120.570 0.212 0.000 2.545 1003 I HA 0.420 4.590 4.170 0.000 0.000 0.292 1003 I C 0.060 176.252 176.117 0.126 0.000 1.040 1003 I CA -0.970 60.408 61.300 0.129 0.000 1.068 1003 I CB 1.890 39.937 38.000 0.078 0.000 1.251 1003 I HN 0.117 nan 8.210 nan 0.000 0.424 1004 L N 4.186 125.479 121.223 0.116 0.000 2.354 1004 L HA 0.565 4.905 4.340 0.000 0.000 0.269 1004 L C -0.337 176.579 176.870 0.077 0.000 1.005 1004 L CA -0.553 54.362 54.840 0.124 0.000 0.819 1004 L CB 2.319 44.503 42.059 0.208 0.000 1.311 1004 L HN 0.569 nan 8.230 nan 0.000 0.423 1005 S N 0.996 116.718 115.700 0.037 0.000 2.472 1005 S HA 0.468 4.938 4.470 0.000 0.000 0.303 1005 S C -0.273 174.253 174.600 -0.123 0.000 1.099 1005 S CA -0.657 57.525 58.200 -0.029 0.000 1.077 1005 S CB 2.115 65.295 63.200 -0.034 0.000 1.031 1005 S HN 0.280 nan 8.310 nan 0.000 0.487 1006 V N 4.300 124.078 119.914 -0.228 0.000 2.299 1006 V HA 0.234 4.354 4.120 0.000 0.000 0.255 1006 V C 0.386 176.294 176.094 -0.310 0.000 1.100 1006 V CA -0.311 61.703 62.300 -0.477 0.000 0.938 1006 V CB -0.687 30.773 31.823 -0.604 0.000 1.139 1006 V HN 0.678 nan 8.190 nan 0.000 0.490 1007 R N 3.690 124.041 120.500 -0.250 0.000 2.229 1007 R HA 0.320 4.660 4.340 0.000 0.000 0.328 1007 R C 0.349 176.551 176.300 -0.164 0.000 1.009 1007 R CA -0.539 55.466 56.100 -0.159 0.000 0.864 1007 R CB 1.421 31.663 30.300 -0.097 0.000 1.085 1007 R HN 0.431 nan 8.270 nan 0.000 0.453 1008 K N 2.698 123.018 120.400 -0.133 0.000 3.277 1008 K HA -0.035 4.285 4.320 0.000 0.000 0.280 1008 K C 0.009 176.571 176.600 -0.064 0.000 1.182 1008 K CA 0.093 56.317 56.287 -0.106 0.000 1.219 1008 K CB 0.072 32.519 32.500 -0.089 0.000 1.373 1008 K HN 0.477 nan 8.250 nan 0.000 0.392 1009 E N 3.053 123.218 120.200 -0.059 0.000 2.214 1009 E HA -0.092 4.258 4.350 0.000 0.000 0.291 1009 E C -1.034 175.552 176.600 -0.022 0.000 1.137 1009 E CA 0.233 56.611 56.400 -0.037 0.000 1.175 1009 E CB -0.398 29.282 29.700 -0.034 0.000 1.071 1009 E HN 0.425 nan 8.360 nan 0.000 0.467 1010 D N 2.119 122.507 120.400 -0.020 0.000 5.581 1010 D HA -0.213 4.427 4.640 0.000 0.000 0.244 1010 D C 0.889 177.187 176.300 -0.003 0.000 1.377 1010 D CA 1.171 55.165 54.000 -0.010 0.000 1.413 1010 D CB -0.770 40.025 40.800 -0.009 0.000 0.741 1010 D HN 0.755 nan 8.370 nan 0.000 0.393 1011 G N 2.924 111.725 108.800 0.002 0.000 2.990 1011 G HA2 -0.367 3.593 3.960 0.000 0.000 0.225 1011 G HA3 -0.367 3.593 3.960 0.000 0.000 0.225 1011 G C 0.216 175.126 174.900 0.017 0.000 1.304 1011 G CA 0.996 46.102 45.100 0.010 0.000 0.816 1011 G HN 0.657 nan 8.290 nan 0.000 0.528 1012 K N 0.579 120.988 120.400 0.014 0.000 2.316 1012 K HA 0.588 4.908 4.320 0.000 0.000 0.251 1012 K C -0.309 176.295 176.600 0.007 0.000 0.934 1012 K CA -0.780 55.524 56.287 0.028 0.000 0.802 1012 K CB 2.363 34.885 32.500 0.037 0.000 1.171 1012 K HN 0.238 nan 8.250 nan 0.000 0.426 1013 K N 2.475 122.887 120.400 0.020 0.000 2.276 1013 K HA 0.114 4.434 4.320 0.000 0.000 0.283 1013 K C -0.742 175.849 176.600 -0.015 0.000 1.044 1013 K CA 0.019 56.267 56.287 -0.065 0.000 0.944 1013 K CB 0.670 33.113 32.500 -0.095 0.000 1.012 1013 K HN 0.497 nan 8.250 nan 0.000 0.472 1014 E N 3.149 123.262 120.200 -0.145 0.000 2.359 1014 E HA 0.320 4.670 4.350 0.000 0.000 0.266 1014 E C -1.079 175.450 176.600 -0.119 0.000 0.920 1014 E CA -0.885 55.527 56.400 0.021 0.000 0.788 1014 E CB 1.670 31.375 29.700 0.008 0.000 1.279 1014 E HN 0.546 nan 8.360 nan 0.000 0.438 1015 W N 2.029 123.298 121.300 -0.051 0.000 2.517 1015 W HA 0.327 4.987 4.660 0.000 0.000 0.301 1015 W C -0.792 175.695 176.519 -0.053 0.000 1.002 1015 W CA -0.553 56.769 57.345 -0.038 0.000 1.415 1015 W CB 1.720 31.143 29.460 -0.063 0.000 1.275 1015 W HN 0.193 nan 8.180 nan 0.000 0.413 1016 V N 6.215 126.186 119.914 0.096 0.000 2.459 1016 V HA 0.422 4.542 4.120 0.000 0.000 0.295 1016 V C -0.563 175.572 176.094 0.068 0.000 1.029 1016 V CA -0.799 61.536 62.300 0.058 0.000 0.874 1016 V CB 1.689 33.523 31.823 0.018 0.000 0.985 1016 V HN 0.348 nan 8.190 nan 0.000 0.438 1017 L N 7.268 128.528 121.223 0.062 0.000 2.617 1017 L HA 0.324 4.664 4.340 0.000 0.000 0.282 1017 L C 1.036 177.967 176.870 0.103 0.000 1.174 1017 L CA 0.787 55.683 54.840 0.092 0.000 1.016 1017 L CB -0.058 42.046 42.059 0.075 0.000 1.337 1017 L HN 0.890 nan 8.230 nan 0.000 0.460 1018 D N 2.276 122.733 120.400 0.096 0.000 2.363 1018 D HA 0.295 4.935 4.640 0.000 0.000 0.214 1018 D C 0.512 176.867 176.300 0.092 0.000 1.093 1018 D CA 0.537 54.584 54.000 0.078 0.000 0.837 1018 D CB 0.526 41.350 40.800 0.041 0.000 0.948 1018 D HN 0.528 nan 8.370 nan 0.000 0.507 1019 G N -0.424 108.462 108.800 0.145 0.000 2.340 1019 G HA2 0.407 4.367 3.960 0.000 0.000 0.299 1019 G HA3 0.407 4.367 3.960 0.000 0.000 0.299 1019 G C -1.806 173.241 174.900 0.245 0.000 1.291 1019 G CA -0.579 44.608 45.100 0.145 0.000 0.841 1019 G HN 0.181 nan 8.290 nan 0.000 0.500 1020 Y N -1.721 118.580 120.300 0.001 0.000 2.857 1020 Y HA 0.907 5.457 4.550 0.000 0.000 0.318 1020 Y C -0.379 175.495 175.900 -0.044 0.000 1.313 1020 Y CA -1.186 56.883 58.100 -0.051 0.000 1.117 1020 Y CB 1.542 39.821 38.460 -0.302 0.000 1.344 1020 Y HN 0.837 nan 8.280 nan 0.000 0.525 1021 Q N 0.582 120.428 119.800 0.077 0.000 2.472 1021 Q HA 0.637 4.977 4.340 0.000 0.000 0.281 1021 Q C -1.971 174.089 176.000 0.099 0.000 0.997 1021 Q CA -0.871 54.927 55.803 -0.007 0.000 0.828 1021 Q CB 2.826 31.562 28.738 -0.002 0.000 1.443 1021 Q HN 0.740 nan 8.270 nan 0.000 0.390 1022 V N 1.644 121.594 119.914 0.059 0.000 3.653 1022 V HA 0.483 4.603 4.120 0.000 0.000 0.282 1022 V C 1.079 177.203 176.094 0.049 0.000 0.993 1022 V CA 0.542 62.887 62.300 0.074 0.000 0.986 1022 V CB 0.684 32.543 31.823 0.059 0.000 1.249 1022 V HN 1.052 nan 8.190 nan 0.000 0.423 1023 A N 0.587 123.433 122.820 0.042 0.000 2.099 1023 A HA 0.108 4.428 4.320 0.000 0.000 0.206 1023 A C 1.404 179.004 177.584 0.027 0.000 1.464 1023 A CA 0.984 53.043 52.037 0.037 0.000 0.603 1023 A CB -0.413 18.609 19.000 0.037 0.000 1.056 1023 A HN 0.683 nan 8.150 nan 0.000 0.492 1032 A N 0.773 123.554 122.820 -0.064 0.000 4.869 1032 A HA 0.478 4.798 4.320 0.000 0.000 0.154 1032 A C 1.276 178.768 177.584 -0.153 0.000 1.152 1032 A CA 0.956 52.969 52.037 -0.040 0.000 0.978 1032 A CB -1.746 17.303 19.000 0.081 0.000 0.791 1032 A HN 2.619 nan 8.150 nan 0.000 0.505 1033 A N -0.438 122.187 122.820 -0.325 0.000 1.948 1033 A HA 0.265 4.585 4.320 0.000 0.000 0.220 1033 A C 1.354 178.772 177.584 -0.277 0.000 1.177 1033 A CA 2.578 54.292 52.037 -0.538 0.000 0.636 1033 A CB -0.106 18.590 19.000 -0.508 0.000 0.815 1033 A HN 1.564 nan 8.150 nan 0.000 0.449 1034 T N -3.390 111.141 114.554 -0.037 0.000 2.883 1034 T HA 0.416 4.766 4.350 0.000 0.000 0.301 1034 T C 0.432 175.172 174.700 0.067 0.000 1.158 1034 T CA -0.075 62.086 62.100 0.101 0.000 1.007 1034 T CB 1.238 70.240 68.868 0.224 0.000 1.186 1034 T HN 0.362 nan 8.240 nan 0.000 0.499 1035 F N 2.470 122.381 119.950 -0.065 0.000 2.111 1035 F HA -0.205 4.322 4.527 0.000 0.000 0.300 1035 F C 2.002 177.688 175.800 -0.189 0.000 1.088 1035 F CA 2.168 60.063 58.000 -0.175 0.000 1.243 1035 F CB -0.342 38.548 39.000 -0.184 0.000 0.996 1035 F HN 0.578 nan 8.300 nan 0.000 0.483 1036 M N -0.476 118.624 119.600 -0.833 0.000 2.460 1036 M HA -0.138 4.342 4.480 0.000 0.000 0.263 1036 M C 1.477 177.418 176.300 -0.599 0.000 1.071 1036 M CA 1.460 56.232 55.300 -0.880 0.000 1.096 1036 M CB -0.545 31.730 32.600 -0.542 0.000 1.408 1036 M HN 0.227 nan 8.290 nan 0.000 0.463 1037 H N -0.773 118.126 119.070 -0.285 0.000 2.551 1037 H HA 0.276 4.832 4.556 0.000 0.000 0.271 1037 H C -0.078 175.177 175.328 -0.122 0.000 0.984 1037 H CA 0.079 56.034 56.048 -0.155 0.000 1.164 1037 H CB 0.075 29.775 29.762 -0.103 0.000 1.437 1037 H HN 0.287 nan 8.280 nan 0.000 0.550 1038 I N 3.495 123.995 120.570 -0.116 0.000 2.372 1038 I HA -0.060 4.110 4.170 0.000 0.000 0.298 1038 I C 0.937 177.091 176.117 0.062 0.000 1.137 1038 I CA -0.190 61.059 61.300 -0.085 0.000 1.314 1038 I CB 0.052 37.863 38.000 -0.315 0.000 1.444 1038 I HN 0.099 nan 8.210 nan 0.000 0.541 1039 S N 5.190 120.953 115.700 0.105 0.000 2.549 1039 S HA -0.166 4.304 4.470 0.000 0.000 0.278 1039 S C 1.135 175.803 174.600 0.113 0.000 1.344 1039 S CA -0.024 58.256 58.200 0.133 0.000 1.025 1039 S CB 0.455 63.703 63.200 0.079 0.000 0.851 1039 S HN 0.624 nan 8.310 nan 0.000 0.530 1040 Y N 2.925 122.985 120.300 -0.400 0.000 2.207 1040 Y HA -0.208 4.342 4.550 0.000 0.000 0.287 1040 Y C 2.112 177.964 175.900 -0.081 0.000 1.156 1040 Y CA 2.349 60.128 58.100 -0.535 0.000 1.182 1040 Y CB -0.568 37.368 38.460 -0.872 0.000 0.979 1040 Y HN 0.852 nan 8.280 nan 0.000 0.521 1041 N N -0.214 118.498 118.700 0.021 0.000 2.084 1041 N HA -0.239 4.501 4.740 0.000 0.000 0.190 1041 N C 1.640 177.133 175.510 -0.028 0.000 1.030 1041 N CA 0.946 53.983 53.050 -0.021 0.000 0.849 1041 N CB -0.373 38.142 38.487 0.047 0.000 1.012 1041 N HN 0.338 nan 8.380 nan 0.000 0.423 1042 N N 1.645 120.384 118.700 0.066 0.000 2.043 1042 N HA -0.209 4.531 4.740 0.000 0.000 0.193 1042 N C 1.577 177.213 175.510 0.210 0.000 1.037 1042 N CA 1.307 54.448 53.050 0.151 0.000 0.851 1042 N CB -0.544 38.058 38.487 0.192 0.000 1.027 1042 N HN 0.297 nan 8.380 nan 0.000 0.422 1043 F N 0.190 120.170 119.950 0.049 0.000 2.102 1043 F HA -0.109 4.418 4.527 0.000 0.000 0.298 1043 F C 2.218 178.015 175.800 -0.005 0.000 1.105 1043 F CA 1.136 59.190 58.000 0.091 0.000 1.239 1043 F CB -0.416 38.600 39.000 0.027 0.000 0.991 1043 F HN 0.083 nan 8.300 nan 0.000 0.474 1044 I N 1.185 121.199 120.570 -0.927 0.000 2.439 1044 I HA -0.174 3.996 4.170 0.000 0.000 0.251 1044 I C 2.496 178.331 176.117 -0.470 0.000 1.139 1044 I CA 1.999 62.666 61.300 -1.054 0.000 1.438 1044 I CB -0.748 36.610 38.000 -1.071 0.000 1.085 1044 I HN 0.449 nan 8.210 nan 0.000 0.427 1045 T N -1.668 112.728 114.554 -0.264 0.000 2.904 1045 T HA -0.142 4.208 4.350 0.000 0.000 0.267 1045 T C 1.755 176.406 174.700 -0.081 0.000 1.059 1045 T CA 1.150 63.172 62.100 -0.129 0.000 1.137 1045 T CB -0.470 68.362 68.868 -0.061 0.000 0.879 1045 T HN 0.455 nan 8.240 nan 0.000 0.467 1046 E N 2.242 122.425 120.200 -0.028 0.000 2.077 1046 E HA -0.105 4.245 4.350 0.000 0.000 0.193 1046 E C 2.024 178.605 176.600 -0.033 0.000 0.989 1046 E CA 1.423 57.825 56.400 0.003 0.000 0.800 1046 E CB -1.203 28.549 29.700 0.088 0.000 0.746 1046 E HN 0.357 nan 8.360 nan 0.000 0.452 1047 V N 1.183 121.054 119.914 -0.072 0.000 2.439 1047 V HA -0.272 3.848 4.120 0.000 0.000 0.253 1047 V C 0.539 176.596 176.094 -0.062 0.000 1.074 1047 V CA 1.780 64.033 62.300 -0.078 0.000 1.076 1047 V CB -1.697 30.024 31.823 -0.170 0.000 0.664 1047 V HN 0.710 nan 8.190 nan 0.000 0.461 1048 N N 0.000 118.654 118.700 -0.077 0.000 1.763 1048 N HA 0.000 4.740 4.740 0.000 0.000 0.220 1048 N CA 0.000 53.023 53.050 -0.046 0.000 0.885 1048 N CB 0.000 38.472 38.487 -0.025 0.000 1.341 1048 N HN 0.000 nan 8.380 nan 0.000 0.667