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 2vbi_1_B DATA FIRST_RESID 2 DATA SEQUENCE TYTVGMYLAE RLVQIGLKHH FAVAGDYNLV LLDQLLLNKD MKQIYCCNEL DATA SEQUENCE NCGFSAEGYA RSNGAAAAVV TFSVGAISAM NALGGAYAEN LPVILISGAP DATA SEQUENCE NSNDQGTGHI LHHTIGKTDY SYQLEMARQV TCAAESITDA HSAPAKIDHV DATA SEQUENCE IRTALRERKP AYLDIACNIA SEPCVRPGPV SSLLSEPEID HTSLKAAVDA DATA SEQUENCE TVALLEKSAS PVMLLGSKLR AANALAATET LADKLQCAVT IMAAAKGFFP DATA SEQUENCE EDHAGFRGLY WGEVSNPGVQ ELVETSDALL CIAPVFNDYS TVGWSAWPKG DATA SEQUENCE PNVILAEPDR VTVDGRAYDG FTLRAFLQAL AEKAPARPAS AQKSSVPTCS DATA SEQUENCE LTATSDEAGL TNDEIVRHIN ALLTSNTTLV AETGDSWFNA MRMTLPRGAR DATA SEQUENCE VELEMQWGHI GWSVPSAFGN AMGSQDRQHV VMVGDGSFQL TAQEVAQMVR DATA SEQUENCE YELPVIIFLI NNRGYVIEIA IHDGPYNYIK NWDYAGLMEV FNAGEGHGLG DATA SEQUENCE LKATTPKELT EAIARAKANT RGPTLIECQI DRTDCTDMLV QWGRKVASTN DATA SEQUENCE ARKT 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.773 174.700 0.122 0.000 1.109 2 T CA 0.000 62.156 62.100 0.093 0.000 1.349 2 T CB 0.000 68.900 68.868 0.054 0.000 0.612 3 Y N 5.043 125.356 120.300 0.023 0.000 2.341 3 Y HA 0.585 5.221 4.550 0.143 0.000 0.340 3 Y C 0.815 176.738 175.900 0.038 0.000 0.997 3 Y CA 0.076 58.195 58.100 0.032 0.000 1.149 3 Y CB 1.210 39.693 38.460 0.039 0.000 1.171 3 Y HN 0.798 nan 8.280 nan 0.000 0.494 4 T N 0.879 115.262 114.554 -0.286 0.000 2.948 4 T HA 0.303 4.739 4.350 0.143 0.000 0.285 4 T C 0.958 175.571 174.700 -0.146 0.000 1.019 4 T CA -0.656 61.358 62.100 -0.144 0.000 1.013 4 T CB 1.205 70.003 68.868 -0.118 0.000 1.117 4 T HN 0.410 nan 8.240 nan 0.000 0.533 5 V N 1.801 121.684 119.914 -0.052 0.000 2.282 5 V HA -0.089 4.117 4.120 0.143 0.000 0.249 5 V C 2.919 179.001 176.094 -0.019 0.000 1.057 5 V CA 2.586 64.868 62.300 -0.029 0.000 1.032 5 V CB -1.523 30.274 31.823 -0.042 0.000 0.645 5 V HN 1.116 nan 8.190 nan 0.000 0.447 6 G N -0.936 107.827 108.800 -0.062 0.000 2.422 6 G HA2 -0.255 3.791 3.960 0.143 0.000 0.218 6 G HA3 -0.255 3.791 3.960 0.143 0.000 0.218 6 G C 1.587 176.422 174.900 -0.108 0.000 1.146 6 G CA 1.064 46.123 45.100 -0.068 0.000 0.769 6 G HN 0.464 nan 8.290 nan 0.000 0.547 7 M N -1.020 118.446 119.600 -0.223 0.000 2.175 7 M HA 0.035 4.601 4.480 0.143 0.000 0.264 7 M C 2.342 178.515 176.300 -0.211 0.000 1.063 7 M CA 0.984 56.073 55.300 -0.352 0.000 1.119 7 M CB -0.330 31.798 32.600 -0.786 0.000 1.377 7 M HN 0.303 nan 8.290 nan 0.000 0.415 8 Y N 1.374 121.546 120.300 -0.213 0.000 2.145 8 Y HA -0.277 4.359 4.550 0.143 0.000 0.286 8 Y C 2.184 178.091 175.900 0.013 0.000 1.145 8 Y CA 1.717 59.862 58.100 0.075 0.000 1.148 8 Y CB -0.343 38.191 38.460 0.124 0.000 0.981 8 Y HN 0.099 nan 8.280 nan 0.000 0.507 9 L N 0.656 121.999 121.223 0.200 0.000 2.042 9 L HA -0.147 4.279 4.340 0.143 0.000 0.210 9 L C 2.431 179.273 176.870 -0.047 0.000 1.076 9 L CA 2.245 57.133 54.840 0.080 0.000 0.749 9 L CB -1.351 40.724 42.059 0.026 0.000 0.893 9 L HN 0.273 nan 8.230 nan 0.000 0.432 10 A N -0.870 121.900 122.820 -0.084 0.000 1.877 10 A HA -0.284 4.122 4.320 0.143 0.000 0.216 10 A C 2.344 179.871 177.584 -0.095 0.000 1.186 10 A CA 1.891 53.855 52.037 -0.123 0.000 0.620 10 A CB -0.799 18.127 19.000 -0.122 0.000 0.822 10 A HN 0.617 nan 8.150 nan 0.000 0.443 11 E N -0.928 119.225 120.200 -0.078 0.000 2.150 11 E HA -0.184 4.252 4.350 0.143 0.000 0.193 11 E C 2.237 178.766 176.600 -0.118 0.000 0.985 11 E CA 0.679 57.033 56.400 -0.076 0.000 0.814 11 E CB 0.016 29.697 29.700 -0.031 0.000 0.752 11 E HN 0.318 nan 8.360 nan 0.000 0.466 12 R N 0.212 120.614 120.500 -0.163 0.000 2.075 12 R HA -0.073 4.353 4.340 0.143 0.000 0.232 12 R C 2.456 178.712 176.300 -0.074 0.000 1.126 12 R CA 0.734 56.753 56.100 -0.136 0.000 0.963 12 R CB -0.701 29.523 30.300 -0.127 0.000 0.858 12 R HN 0.321 nan 8.270 nan 0.000 0.435 13 L N 0.231 121.412 121.223 -0.070 0.000 2.046 13 L HA -0.156 4.270 4.340 0.143 0.000 0.208 13 L C 2.451 179.299 176.870 -0.036 0.000 1.077 13 L CA 0.991 55.800 54.840 -0.052 0.000 0.747 13 L CB -0.561 41.447 42.059 -0.085 0.000 0.896 13 L HN -0.063 nan 8.230 nan 0.000 0.432 14 V N -0.488 119.397 119.914 -0.049 0.000 2.407 14 V HA -0.304 3.902 4.120 0.143 0.000 0.248 14 V C 2.413 178.490 176.094 -0.027 0.000 1.055 14 V CA 1.659 63.938 62.300 -0.035 0.000 1.049 14 V CB -0.506 31.292 31.823 -0.043 0.000 0.662 14 V HN 0.504 nan 8.190 nan 0.000 0.455 15 Q N -0.707 119.069 119.800 -0.039 0.000 2.224 15 Q HA -0.098 4.328 4.340 0.143 0.000 0.203 15 Q C 2.197 178.185 176.000 -0.020 0.000 0.970 15 Q CA 1.303 57.085 55.803 -0.035 0.000 0.865 15 Q CB -0.175 28.531 28.738 -0.053 0.000 0.922 15 Q HN 0.612 nan 8.270 nan 0.000 0.445 16 I N -0.687 119.875 120.570 -0.012 0.000 2.361 16 I HA -0.161 4.095 4.170 0.143 0.000 0.251 16 I C 1.343 177.471 176.117 0.018 0.000 1.133 16 I CA 1.137 62.439 61.300 0.005 0.000 1.413 16 I CB -0.126 37.884 38.000 0.017 0.000 1.073 16 I HN 0.427 nan 8.210 nan 0.000 0.424 17 G N 0.508 109.321 108.800 0.022 0.000 2.154 17 G HA2 -0.169 3.877 3.960 0.143 0.000 0.186 17 G HA3 -0.169 3.877 3.960 0.143 0.000 0.186 17 G C -0.106 174.841 174.900 0.078 0.000 1.000 17 G CA -0.668 44.452 45.100 0.033 0.000 0.664 17 G HN 0.068 nan 8.290 nan 0.000 0.513 18 L N 0.609 121.888 121.223 0.093 0.000 2.426 18 L HA 0.481 4.907 4.340 0.143 0.000 0.271 18 L C 1.446 178.370 176.870 0.091 0.000 1.169 18 L CA 0.451 55.387 54.840 0.161 0.000 0.836 18 L CB 0.981 43.100 42.059 0.099 0.000 1.112 18 L HN 0.078 nan 8.230 nan 0.000 0.465 19 K N 1.879 122.370 120.400 0.151 0.000 2.402 19 K HA 0.263 4.669 4.320 0.143 0.000 0.204 19 K C -0.497 175.791 176.600 -0.521 0.000 1.056 19 K CA -0.030 56.188 56.287 -0.115 0.000 1.069 19 K CB 0.638 33.093 32.500 -0.075 0.000 0.888 19 K HN 0.613 nan 8.250 nan 0.000 0.546 20 H N -0.094 118.871 119.070 -0.175 0.000 2.996 20 H HA 0.328 4.970 4.556 0.143 0.000 0.368 20 H C -0.559 174.409 175.328 -0.600 0.000 1.185 20 H CA -0.924 54.803 56.048 -0.534 0.000 1.160 20 H CB 1.333 30.603 29.762 -0.819 0.000 1.820 20 H HN 0.056 nan 8.280 nan 0.000 0.547 21 H N 0.476 119.202 119.070 -0.574 0.000 2.895 21 H HA 0.477 5.119 4.556 0.144 0.000 0.373 21 H C -1.606 173.356 175.328 -0.609 0.000 1.174 21 H CA -1.000 54.767 56.048 -0.469 0.000 1.144 21 H CB 1.155 30.793 29.762 -0.208 0.000 1.793 21 H HN 0.359 nan 8.280 nan 0.000 0.551 22 F N 0.679 120.538 119.950 -0.151 0.000 2.450 22 F HA 0.721 5.334 4.527 0.143 0.000 0.332 22 F C 0.268 176.071 175.800 0.004 0.000 1.093 22 F CA -0.420 57.501 58.000 -0.132 0.000 1.003 22 F CB 2.149 41.105 39.000 -0.074 0.000 1.151 22 F HN 0.880 nan 8.300 nan 0.000 0.474 23 A N 1.447 124.390 122.820 0.206 0.000 2.572 23 A HA 0.849 5.255 4.320 0.143 0.000 0.295 23 A C -1.916 175.848 177.584 0.301 0.000 1.072 23 A CA -0.744 51.446 52.037 0.255 0.000 0.691 23 A CB 1.597 20.768 19.000 0.285 0.000 1.291 23 A HN 0.500 nan 8.150 nan 0.000 0.404 24 V N 1.257 121.301 119.914 0.217 0.000 2.531 24 V HA 0.669 4.875 4.120 0.143 0.000 0.301 24 V C 0.669 176.839 176.094 0.128 0.000 1.034 24 V CA -0.337 62.063 62.300 0.166 0.000 0.865 24 V CB 1.358 33.252 31.823 0.117 0.000 0.995 24 V HN 1.474 nan 8.190 nan 0.000 0.424 25 A N 3.386 126.253 122.820 0.078 0.000 2.445 25 A HA 0.802 5.208 4.320 0.143 0.000 0.242 25 A C 0.574 178.201 177.584 0.071 0.000 1.075 25 A CA 0.594 52.664 52.037 0.055 0.000 0.777 25 A CB 0.419 19.406 19.000 -0.021 0.000 1.013 25 A HN 1.430 nan 8.150 nan 0.000 0.493 26 G N 0.432 109.289 108.800 0.096 0.000 2.673 26 G HA2 0.458 4.504 3.960 0.143 0.000 0.292 26 G HA3 0.458 4.504 3.960 0.143 0.000 0.292 26 G C 0.034 175.002 174.900 0.113 0.000 1.450 26 G CA 0.229 45.405 45.100 0.126 0.000 0.837 26 G HN 0.674 nan 8.290 nan 0.000 0.505 27 D N -0.326 120.114 120.400 0.067 0.000 2.182 27 D HA -0.212 4.514 4.640 0.143 0.000 0.201 27 D C 1.273 177.574 176.300 0.001 0.000 0.986 27 D CA 1.394 55.380 54.000 -0.025 0.000 0.847 27 D CB -0.206 40.513 40.800 -0.135 0.000 0.942 27 D HN 0.368 nan 8.370 nan 0.000 0.467 28 Y N 1.058 121.447 120.300 0.148 0.000 2.574 28 Y HA -0.021 4.616 4.550 0.144 0.000 0.294 28 Y C 1.558 177.496 175.900 0.064 0.000 1.142 28 Y CA 1.238 59.391 58.100 0.088 0.000 1.314 28 Y CB -0.411 38.109 38.460 0.100 0.000 0.991 28 Y HN 0.259 nan 8.280 nan 0.000 0.555 29 N N -1.530 117.293 118.700 0.206 0.000 2.143 29 N HA 0.034 4.860 4.740 0.143 0.000 0.222 29 N C 0.897 176.465 175.510 0.097 0.000 1.264 29 N CA 0.167 53.301 53.050 0.139 0.000 0.897 29 N CB -0.869 37.702 38.487 0.141 0.000 1.092 29 N HN 0.243 nan 8.380 nan 0.000 0.516 30 L N 0.014 121.284 121.223 0.079 0.000 2.012 30 L HA -0.090 4.336 4.340 0.143 0.000 0.210 30 L C 1.950 178.846 176.870 0.044 0.000 1.073 30 L CA 1.219 56.091 54.840 0.052 0.000 0.748 30 L CB -0.558 41.517 42.059 0.028 0.000 0.891 30 L HN 0.018 nan 8.230 nan 0.000 0.431 31 V N -0.004 119.933 119.914 0.038 0.000 2.343 31 V HA -0.279 3.927 4.120 0.143 0.000 0.247 31 V C 2.413 178.521 176.094 0.022 0.000 1.051 31 V CA 1.646 63.962 62.300 0.025 0.000 1.036 31 V CB -0.436 31.399 31.823 0.020 0.000 0.654 31 V HN 0.330 nan 8.190 nan 0.000 0.451 32 L N -0.156 121.086 121.223 0.031 0.000 2.012 32 L HA -0.154 4.273 4.340 0.143 0.000 0.210 32 L C 2.205 179.092 176.870 0.027 0.000 1.073 32 L CA 1.907 56.758 54.840 0.019 0.000 0.748 32 L CB -0.577 41.496 42.059 0.024 0.000 0.891 32 L HN 0.210 nan 8.230 nan 0.000 0.431 33 L N -0.604 120.657 121.223 0.063 0.000 2.079 33 L HA -0.231 4.195 4.340 0.143 0.000 0.210 33 L C 2.280 179.200 176.870 0.084 0.000 1.081 33 L CA 1.326 56.228 54.840 0.103 0.000 0.752 33 L CB -0.974 41.169 42.059 0.140 0.000 0.896 33 L HN 0.316 nan 8.230 nan 0.000 0.433 34 D N -0.447 119.984 120.400 0.052 0.000 2.104 34 D HA -0.178 4.548 4.640 0.143 0.000 0.194 34 D C 2.375 178.682 176.300 0.012 0.000 0.994 34 D CA 1.008 55.028 54.000 0.033 0.000 0.830 34 D CB -0.160 40.652 40.800 0.019 0.000 0.959 34 D HN 0.273 nan 8.370 nan 0.000 0.452 35 Q N 0.240 120.035 119.800 -0.009 0.000 2.084 35 Q HA -0.052 4.374 4.340 0.143 0.000 0.202 35 Q C 2.654 178.623 176.000 -0.052 0.000 0.978 35 Q CA 0.588 56.364 55.803 -0.046 0.000 0.844 35 Q CB -0.601 28.096 28.738 -0.067 0.000 0.898 35 Q HN 0.384 nan 8.270 nan 0.000 0.426 36 L N -0.044 121.157 121.223 -0.036 0.000 2.141 36 L HA -0.131 4.295 4.340 0.143 0.000 0.209 36 L C 2.311 179.195 176.870 0.023 0.000 1.094 36 L CA 0.576 55.383 54.840 -0.055 0.000 0.763 36 L CB -0.407 41.582 42.059 -0.117 0.000 0.908 36 L HN 0.149 nan 8.230 nan 0.000 0.437 37 L N -0.567 120.691 121.223 0.058 0.000 2.265 37 L HA -0.195 4.231 4.340 0.143 0.000 0.215 37 L C 2.249 179.134 176.870 0.024 0.000 1.117 37 L CA 0.835 55.711 54.840 0.061 0.000 0.782 37 L CB -0.269 41.832 42.059 0.071 0.000 0.914 37 L HN 0.292 nan 8.230 nan 0.000 0.441 38 L N -0.758 120.466 121.223 0.003 0.000 2.465 38 L HA -0.087 4.339 4.340 0.143 0.000 0.224 38 L C 1.032 177.896 176.870 -0.010 0.000 1.145 38 L CA 0.198 55.033 54.840 -0.008 0.000 0.834 38 L CB -0.409 41.636 42.059 -0.024 0.000 0.944 38 L HN 0.259 nan 8.230 nan 0.000 0.451 39 N N 0.949 119.640 118.700 -0.015 0.000 2.437 39 N HA 0.015 4.841 4.740 0.143 0.000 0.243 39 N C 0.555 176.055 175.510 -0.017 0.000 1.041 39 N CA -0.013 53.026 53.050 -0.017 0.000 0.940 39 N CB 0.983 39.450 38.487 -0.033 0.000 1.133 39 N HN -0.049 nan 8.380 nan 0.000 0.506 40 K N 1.723 122.113 120.400 -0.017 0.000 2.525 40 K HA 0.015 4.421 4.320 0.143 0.000 0.192 40 K C 0.199 176.773 176.600 -0.042 0.000 1.029 40 K CA 0.349 56.621 56.287 -0.025 0.000 1.029 40 K CB 0.372 32.862 32.500 -0.016 0.000 0.814 40 K HN 0.510 nan 8.250 nan 0.000 0.503 41 D N 0.784 121.159 120.400 -0.043 0.000 2.347 41 D HA 0.002 4.728 4.640 0.143 0.000 0.215 41 D C 0.966 177.213 176.300 -0.089 0.000 0.976 41 D CA 0.512 54.479 54.000 -0.055 0.000 0.884 41 D CB 0.201 40.977 40.800 -0.041 0.000 0.915 41 D HN 0.345 nan 8.370 nan 0.000 0.526 42 M N -1.871 117.671 119.600 -0.097 0.000 2.618 42 M HA 0.458 5.024 4.480 0.143 0.000 0.281 42 M C -1.357 174.832 176.300 -0.184 0.000 1.267 42 M CA -0.978 54.223 55.300 -0.164 0.000 0.845 42 M CB 2.877 35.419 32.600 -0.096 0.000 1.732 42 M HN -0.483 nan 8.290 nan 0.000 0.461 43 K N 1.594 121.784 120.400 -0.349 0.000 2.164 43 K HA 0.376 4.782 4.320 0.143 0.000 0.258 43 K C -1.284 174.996 176.600 -0.533 0.000 0.951 43 K CA -0.620 55.462 56.287 -0.343 0.000 0.844 43 K CB 2.393 34.700 32.500 -0.322 0.000 1.099 43 K HN 0.744 nan 8.250 nan 0.000 0.435 44 Q N 3.734 123.197 119.800 -0.561 0.000 2.331 44 Q HA 0.331 4.757 4.340 0.143 0.000 0.257 44 Q C -0.866 174.551 176.000 -0.970 0.000 0.957 44 Q CA -0.590 54.643 55.803 -0.950 0.000 0.923 44 Q CB 0.559 28.992 28.738 -0.508 0.000 1.212 44 Q HN 0.625 nan 8.270 nan 0.000 0.443 45 I N 0.872 120.817 120.570 -1.041 0.000 2.693 45 I HA 0.550 4.806 4.170 0.143 0.000 0.303 45 I C -1.606 174.119 176.117 -0.654 0.000 1.025 45 I CA -0.905 59.850 61.300 -0.910 0.000 1.086 45 I CB 1.349 38.806 38.000 -0.904 0.000 1.268 45 I HN 0.419 nan 8.210 nan 0.000 0.440 46 Y N 3.380 123.808 120.300 0.214 0.000 2.446 46 Y HA 0.716 5.352 4.550 0.144 0.000 0.338 46 Y C 0.043 176.088 175.900 0.242 0.000 1.055 46 Y CA -0.944 57.278 58.100 0.202 0.000 1.101 46 Y CB 1.590 40.138 38.460 0.147 0.000 1.221 46 Y HN 0.679 nan 8.280 nan 0.000 0.460 47 C N -0.017 119.480 119.300 0.328 0.000 2.595 47 C HA 0.380 4.926 4.460 0.143 0.000 0.338 47 C C 1.512 176.562 174.990 0.101 0.000 1.219 47 C CA -0.639 58.488 59.018 0.182 0.000 1.811 47 C CB 1.503 29.348 27.740 0.176 0.000 2.313 47 C HN 1.123 nan 8.230 nan 0.000 0.499 48 C N 1.436 120.747 119.300 0.018 0.000 2.462 48 C HA 0.004 4.551 4.460 0.143 0.000 0.278 48 C C 0.989 175.993 174.990 0.024 0.000 1.253 48 C CA 1.001 60.018 59.018 -0.002 0.000 1.713 48 C CB -1.461 26.248 27.740 -0.052 0.000 2.049 48 C HN 1.009 nan 8.230 nan 0.000 0.477 49 N N -0.539 118.179 118.700 0.030 0.000 2.571 49 N HA 0.308 5.134 4.740 0.143 0.000 0.273 49 N C -0.377 175.159 175.510 0.044 0.000 1.340 49 N CA -0.596 52.478 53.050 0.040 0.000 0.789 49 N CB 0.464 38.975 38.487 0.040 0.000 1.514 49 N HN -0.068 nan 8.380 nan 0.000 0.499 50 E N -0.439 119.783 120.200 0.036 0.000 2.208 50 E HA 0.032 4.468 4.350 0.143 0.000 0.193 50 E C 1.354 177.944 176.600 -0.016 0.000 0.988 50 E CA 0.386 56.799 56.400 0.022 0.000 0.828 50 E CB -0.156 29.555 29.700 0.017 0.000 0.763 50 E HN 0.527 nan 8.360 nan 0.000 0.478 51 L N 1.144 122.363 121.223 -0.007 0.000 1.994 51 L HA -0.188 4.238 4.340 0.143 0.000 0.208 51 L C 1.383 178.241 176.870 -0.020 0.000 1.071 51 L CA 1.806 56.617 54.840 -0.049 0.000 0.745 51 L CB -0.505 41.586 42.059 0.054 0.000 0.892 51 L HN 0.041 nan 8.230 nan 0.000 0.431 52 N N -1.060 117.684 118.700 0.072 0.000 2.166 52 N HA -0.216 4.611 4.740 0.143 0.000 0.186 52 N C 2.028 177.572 175.510 0.055 0.000 1.019 52 N CA 1.477 54.589 53.050 0.104 0.000 0.856 52 N CB -1.147 37.370 38.487 0.050 0.000 0.993 52 N HN 0.538 nan 8.380 nan 0.000 0.426 53 C N 0.513 119.831 119.300 0.030 0.000 2.413 53 C HA -0.043 4.503 4.460 0.143 0.000 0.277 53 C C 2.770 177.723 174.990 -0.063 0.000 1.228 53 C CA 1.415 60.451 59.018 0.030 0.000 1.731 53 C CB -1.306 26.480 27.740 0.077 0.000 2.042 53 C HN 0.537 nan 8.230 nan 0.000 0.468 54 G N -0.871 107.867 108.800 -0.102 0.000 2.446 54 G HA2 -0.191 3.855 3.960 0.143 0.000 0.217 54 G HA3 -0.191 3.855 3.960 0.143 0.000 0.217 54 G C 1.338 176.137 174.900 -0.168 0.000 1.168 54 G CA 0.879 45.870 45.100 -0.182 0.000 0.771 54 G HN 0.484 nan 8.290 nan 0.000 0.551 55 F N 1.709 121.623 119.950 -0.058 0.000 2.293 55 F HA 0.047 4.660 4.527 0.143 0.000 0.300 55 F C 2.968 178.675 175.800 -0.155 0.000 1.086 55 F CA 0.828 58.800 58.000 -0.046 0.000 1.375 55 F CB -0.347 38.643 39.000 -0.017 0.000 1.045 55 F HN 0.085 nan 8.300 nan 0.000 0.516 56 S N -0.094 115.556 115.700 -0.083 0.000 2.368 56 S HA -0.138 4.419 4.470 0.143 0.000 0.224 56 S C 2.421 176.595 174.600 -0.711 0.000 1.029 56 S CA 1.011 58.966 58.200 -0.407 0.000 0.988 56 S CB -0.595 62.280 63.200 -0.541 0.000 0.838 56 S HN 0.350 nan 8.310 nan 0.000 0.462 57 A N 1.596 124.065 122.820 -0.585 0.000 1.902 57 A HA -0.135 4.272 4.320 0.143 0.000 0.217 57 A C 2.086 179.643 177.584 -0.045 0.000 1.181 57 A CA 1.431 53.274 52.037 -0.323 0.000 0.623 57 A CB -0.576 18.358 19.000 -0.110 0.000 0.818 57 A HN 0.452 nan 8.150 nan 0.000 0.443 58 E N -0.078 120.134 120.200 0.019 0.000 2.070 58 E HA -0.192 4.244 4.350 0.143 0.000 0.197 58 E C 2.159 178.853 176.600 0.156 0.000 1.004 58 E CA 1.538 58.026 56.400 0.148 0.000 0.805 58 E CB -0.537 29.360 29.700 0.329 0.000 0.744 58 E HN 0.498 nan 8.360 nan 0.000 0.451 59 G N -0.299 108.551 108.800 0.083 0.000 2.418 59 G HA2 -0.303 3.743 3.960 0.143 0.000 0.217 59 G HA3 -0.303 3.743 3.960 0.143 0.000 0.217 59 G C 1.543 176.472 174.900 0.048 0.000 1.158 59 G CA 0.932 46.052 45.100 0.033 0.000 0.771 59 G HN 0.387 nan 8.290 nan 0.000 0.545 60 Y N 1.851 122.096 120.300 -0.092 0.000 2.181 60 Y HA -0.007 4.629 4.550 0.143 0.000 0.288 60 Y C 2.971 178.890 175.900 0.032 0.000 1.146 60 Y CA 1.403 59.494 58.100 -0.015 0.000 1.164 60 Y CB -0.193 38.323 38.460 0.094 0.000 0.982 60 Y HN 0.257 nan 8.280 nan 0.000 0.515 61 A N 0.406 123.352 122.820 0.209 0.000 1.940 61 A HA -0.240 4.166 4.320 0.143 0.000 0.219 61 A C 2.234 179.849 177.584 0.053 0.000 1.176 61 A CA 1.908 54.023 52.037 0.131 0.000 0.631 61 A CB -0.636 18.435 19.000 0.119 0.000 0.814 61 A HN 0.536 nan 8.150 nan 0.000 0.446 62 R N -0.031 120.509 120.500 0.066 0.000 2.091 62 R HA -0.134 4.293 4.340 0.143 0.000 0.238 62 R C 2.557 178.862 176.300 0.009 0.000 1.136 62 R CA 1.891 58.029 56.100 0.065 0.000 0.959 62 R CB -0.264 30.112 30.300 0.127 0.000 0.856 62 R HN 0.742 nan 8.270 nan 0.000 0.437 63 S N -0.987 114.682 115.700 -0.052 0.000 2.475 63 S HA -0.006 4.550 4.470 0.143 0.000 0.224 63 S C 1.574 176.082 174.600 -0.154 0.000 1.042 63 S CA 0.698 58.842 58.200 -0.094 0.000 0.935 63 S CB -0.006 63.133 63.200 -0.103 0.000 0.801 63 S HN 0.298 nan 8.310 nan 0.000 0.509 64 N N 0.681 119.242 118.700 -0.233 0.000 2.387 64 N HA 0.299 5.125 4.740 0.143 0.000 0.176 64 N C 1.270 176.744 175.510 -0.061 0.000 1.022 64 N CA 1.155 54.084 53.050 -0.202 0.000 0.883 64 N CB 0.319 38.583 38.487 -0.371 0.000 1.019 64 N HN 0.541 nan 8.380 nan 0.000 0.435 65 G N -1.099 107.688 108.800 -0.023 0.000 2.481 65 G HA2 0.096 4.142 3.960 0.143 0.000 0.200 65 G HA3 0.096 4.142 3.960 0.143 0.000 0.200 65 G C 0.010 174.930 174.900 0.033 0.000 1.012 65 G CA -0.011 45.089 45.100 -0.000 0.000 0.676 65 G HN 0.735 nan 8.290 nan 0.000 0.488 66 A N -0.868 122.004 122.820 0.085 0.000 2.581 66 A HA 1.135 5.541 4.320 0.143 0.000 0.290 66 A C -0.399 177.321 177.584 0.228 0.000 1.119 66 A CA 0.484 52.588 52.037 0.112 0.000 0.670 66 A CB 0.881 19.925 19.000 0.073 0.000 1.280 66 A HN 2.234 nan 8.150 nan 0.000 0.425 67 A N -1.094 121.838 122.820 0.185 0.000 2.599 67 A HA 1.022 5.429 4.320 0.143 0.000 0.290 67 A C -0.728 176.923 177.584 0.112 0.000 1.101 67 A CA -0.010 52.153 52.037 0.210 0.000 0.674 67 A CB 0.837 19.993 19.000 0.260 0.000 1.277 67 A HN 2.643 nan 8.150 nan 0.000 0.419 68 A N -0.499 122.387 122.820 0.110 0.000 2.455 68 A HA 0.930 5.336 4.320 0.143 0.000 0.300 68 A C -0.441 177.241 177.584 0.163 0.000 1.040 68 A CA 0.136 52.228 52.037 0.092 0.000 0.697 68 A CB 1.300 20.324 19.000 0.040 0.000 1.265 68 A HN 2.529 nan 8.150 nan 0.000 0.407 69 A N 1.219 124.110 122.820 0.119 0.000 2.386 69 A HA 0.751 5.157 4.320 0.143 0.000 0.311 69 A C -1.070 176.578 177.584 0.106 0.000 1.068 69 A CA -0.512 51.614 52.037 0.148 0.000 0.743 69 A CB 1.500 20.558 19.000 0.097 0.000 1.258 69 A HN 1.371 nan 8.150 nan 0.000 0.429 70 V N 2.953 122.952 119.914 0.140 0.000 2.409 70 V HA 0.620 4.826 4.120 0.143 0.000 0.291 70 V C 0.105 176.270 176.094 0.118 0.000 1.020 70 V CA -0.371 61.996 62.300 0.111 0.000 0.848 70 V CB 0.968 32.872 31.823 0.133 0.000 0.990 70 V HN 1.135 nan 8.190 nan 0.000 0.430 71 V N 1.615 121.584 119.914 0.091 0.000 3.155 71 V HA 0.782 4.989 4.120 0.143 0.000 0.313 71 V C -0.157 176.010 176.094 0.121 0.000 1.162 71 V CA -0.625 61.734 62.300 0.098 0.000 1.048 71 V CB 2.007 33.873 31.823 0.072 0.000 1.092 71 V HN 0.684 nan 8.190 nan 0.000 0.447 72 T N 0.431 115.067 114.554 0.138 0.000 2.918 72 T HA 0.538 4.974 4.350 0.143 0.000 0.283 72 T C -0.583 174.246 174.700 0.215 0.000 1.001 72 T CA -0.317 61.918 62.100 0.225 0.000 1.041 72 T CB 0.624 69.649 68.868 0.261 0.000 1.028 72 T HN 0.676 nan 8.240 nan 0.000 0.511 73 F N 3.080 123.100 119.950 0.117 0.000 2.607 73 F HA 0.216 4.828 4.527 0.143 0.000 0.374 73 F C 1.709 177.531 175.800 0.036 0.000 1.104 73 F CA 1.328 59.314 58.000 -0.023 0.000 1.296 73 F CB -0.295 38.489 39.000 -0.359 0.000 1.085 73 F HN 0.914 nan 8.300 nan 0.000 0.584 74 S N 1.170 116.513 115.700 -0.594 0.000 4.024 74 S HA -0.359 4.197 4.470 0.143 0.000 0.420 74 S C 1.579 176.114 174.600 -0.107 0.000 1.771 74 S CA 2.376 60.385 58.200 -0.318 0.000 4.062 74 S CB -1.842 61.293 63.200 -0.108 0.000 0.800 74 S HN 1.145 nan 8.310 nan 0.000 0.459 75 V N 0.731 120.593 119.914 -0.087 0.000 2.469 75 V HA 0.076 4.282 4.120 0.143 0.000 0.251 75 V C 2.158 178.212 176.094 -0.067 0.000 1.064 75 V CA 2.590 64.829 62.300 -0.101 0.000 1.066 75 V CB -1.558 30.121 31.823 -0.240 0.000 0.667 75 V HN 0.711 nan 8.190 nan 0.000 0.461 76 G N -0.369 108.399 108.800 -0.054 0.000 2.471 76 G HA2 0.125 4.171 3.960 0.143 0.000 0.211 76 G HA3 0.125 4.171 3.960 0.143 0.000 0.211 76 G C 1.722 176.615 174.900 -0.010 0.000 1.194 76 G CA 0.808 45.902 45.100 -0.010 0.000 0.816 76 G HN 0.787 nan 8.290 nan 0.000 0.545 77 A N 0.833 123.638 122.820 -0.024 0.000 1.908 77 A HA 0.011 4.417 4.320 0.143 0.000 0.218 77 A C 2.394 179.963 177.584 -0.024 0.000 1.181 77 A CA 1.356 53.386 52.037 -0.011 0.000 0.627 77 A CB -0.429 18.558 19.000 -0.023 0.000 0.818 77 A HN 0.376 nan 8.150 nan 0.000 0.445 78 I N 0.683 121.226 120.570 -0.044 0.000 2.179 78 I HA -0.278 3.978 4.170 0.143 0.000 0.242 78 I C 2.852 178.966 176.117 -0.005 0.000 1.088 78 I CA 1.755 63.041 61.300 -0.023 0.000 1.357 78 I CB -0.313 37.683 38.000 -0.007 0.000 1.051 78 I HN 0.485 nan 8.210 nan 0.000 0.409 79 S N 1.159 116.858 115.700 -0.002 0.000 2.402 79 S HA -0.054 4.502 4.470 0.143 0.000 0.229 79 S C 2.170 176.747 174.600 -0.039 0.000 1.021 79 S CA 0.716 58.920 58.200 0.006 0.000 0.974 79 S CB -0.537 62.677 63.200 0.022 0.000 0.800 79 S HN 0.420 nan 8.310 nan 0.000 0.484 80 A N 1.817 124.608 122.820 -0.049 0.000 2.019 80 A HA 0.148 4.554 4.320 0.143 0.000 0.219 80 A C 2.203 179.725 177.584 -0.104 0.000 1.164 80 A CA 1.265 53.247 52.037 -0.092 0.000 0.644 80 A CB -0.791 18.184 19.000 -0.041 0.000 0.805 80 A HN 0.547 nan 8.150 nan 0.000 0.449 81 M N -0.432 119.137 119.600 -0.052 0.000 2.358 81 M HA -0.140 4.426 4.480 0.143 0.000 0.264 81 M C 2.048 178.325 176.300 -0.039 0.000 1.064 81 M CA 1.036 56.309 55.300 -0.045 0.000 1.093 81 M CB -0.354 32.230 32.600 -0.027 0.000 1.401 81 M HN 0.505 nan 8.290 nan 0.000 0.440 82 N N 0.977 119.673 118.700 -0.007 0.000 2.084 82 N HA -0.118 4.708 4.740 0.143 0.000 0.190 82 N C 1.607 177.061 175.510 -0.093 0.000 1.030 82 N CA 1.958 55.080 53.050 0.121 0.000 0.849 82 N CB -0.081 38.498 38.487 0.153 0.000 1.012 82 N HN 0.339 nan 8.380 nan 0.000 0.423 83 A N 1.363 123.909 122.820 -0.456 0.000 1.933 83 A HA -0.044 4.362 4.320 0.143 0.000 0.218 83 A C 2.568 179.916 177.584 -0.394 0.000 1.175 83 A CA 0.771 52.358 52.037 -0.750 0.000 0.628 83 A CB -0.711 17.750 19.000 -0.898 0.000 0.814 83 A HN 0.353 nan 8.150 nan 0.000 0.444 84 L N -0.767 120.300 121.223 -0.260 0.000 2.012 84 L HA -0.181 4.245 4.340 0.143 0.000 0.210 84 L C 2.833 179.548 176.870 -0.259 0.000 1.073 84 L CA 1.375 56.112 54.840 -0.173 0.000 0.748 84 L CB -0.873 41.140 42.059 -0.077 0.000 0.891 84 L HN 0.520 nan 8.230 nan 0.000 0.431 85 G N -0.683 107.882 108.800 -0.391 0.000 2.442 85 G HA2 -0.218 3.828 3.960 0.143 0.000 0.219 85 G HA3 -0.218 3.828 3.960 0.143 0.000 0.219 85 G C 1.530 175.620 174.900 -1.350 0.000 1.141 85 G CA 0.750 45.428 45.100 -0.703 0.000 0.763 85 G HN 0.513 nan 8.290 nan 0.000 0.554 86 G N 1.202 109.036 108.800 -1.609 0.000 2.446 86 G HA2 -0.013 4.033 3.960 0.143 0.000 0.217 86 G HA3 -0.013 4.033 3.960 0.143 0.000 0.217 86 G C 2.073 176.697 174.900 -0.459 0.000 1.168 86 G CA 1.635 45.925 45.100 -1.349 0.000 0.771 86 G HN 0.664 nan 8.290 nan 0.000 0.551 87 A N -0.283 122.378 122.820 -0.266 0.000 1.902 87 A HA -0.045 4.361 4.320 0.143 0.000 0.217 87 A C 2.232 179.761 177.584 -0.090 0.000 1.181 87 A CA 1.736 53.713 52.037 -0.101 0.000 0.623 87 A CB -0.669 18.294 19.000 -0.061 0.000 0.818 87 A HN 0.438 nan 8.150 nan 0.000 0.443 88 Y N 0.431 120.595 120.300 -0.227 0.000 2.145 88 Y HA -0.124 4.513 4.550 0.145 0.000 0.286 88 Y C 2.765 178.586 175.900 -0.131 0.000 1.145 88 Y CA 1.318 59.321 58.100 -0.161 0.000 1.148 88 Y CB -0.536 37.823 38.460 -0.168 0.000 0.981 88 Y HN 0.316 nan 8.280 nan 0.000 0.507 89 A N -0.233 122.617 122.820 0.050 0.000 1.933 89 A HA -0.150 4.256 4.320 0.143 0.000 0.218 89 A C 1.736 179.341 177.584 0.034 0.000 1.175 89 A CA 1.909 54.000 52.037 0.091 0.000 0.628 89 A CB -0.391 18.702 19.000 0.155 0.000 0.814 89 A HN 0.484 nan 8.150 nan 0.000 0.444 90 E N 0.238 120.426 120.200 -0.020 0.000 2.451 90 E HA 0.053 4.489 4.350 0.143 0.000 0.194 90 E C -0.551 176.034 176.600 -0.026 0.000 1.027 90 E CA -0.267 56.124 56.400 -0.015 0.000 0.914 90 E CB -0.259 29.438 29.700 -0.006 0.000 1.054 90 E HN 0.583 nan 8.360 nan 0.000 0.461 91 N N 0.784 119.440 118.700 -0.072 0.000 2.725 91 N HA -0.209 4.617 4.740 0.143 0.000 0.251 91 N C -0.736 174.724 175.510 -0.083 0.000 1.031 91 N CA 0.661 53.644 53.050 -0.112 0.000 0.720 91 N CB -1.476 36.959 38.487 -0.087 0.000 0.930 91 N HN 0.230 nan 8.380 nan 0.000 0.543 92 L N 0.716 121.897 121.223 -0.071 0.000 2.349 92 L HA 0.416 4.842 4.340 0.143 0.000 0.278 92 L C -1.991 174.855 176.870 -0.039 0.000 0.996 92 L CA -1.686 53.136 54.840 -0.029 0.000 0.825 92 L CB 2.221 44.294 42.059 0.024 0.000 1.243 92 L HN -0.189 nan 8.230 nan 0.000 0.412 93 P HA 0.092 nan 4.420 nan 0.000 0.244 93 P C -0.380 176.928 177.300 0.012 0.000 1.769 93 P CA -0.093 62.993 63.100 -0.024 0.000 1.102 93 P CB 0.325 32.010 31.700 -0.026 0.000 1.937 94 V N 4.878 124.800 119.914 0.014 0.000 2.498 94 V HA 0.203 4.409 4.120 0.143 0.000 0.279 94 V C 0.939 177.047 176.094 0.023 0.000 1.048 94 V CA -0.346 61.972 62.300 0.030 0.000 0.967 94 V CB 1.037 32.871 31.823 0.019 0.000 0.988 94 V HN 0.279 nan 8.190 nan 0.000 0.473 95 I N 5.565 126.153 120.570 0.029 0.000 2.330 95 I HA 0.317 4.573 4.170 0.143 0.000 0.289 95 I C -0.412 175.714 176.117 0.015 0.000 1.001 95 I CA -0.360 60.950 61.300 0.018 0.000 1.193 95 I CB 1.451 39.454 38.000 0.005 0.000 1.345 95 I HN 0.430 nan 8.210 nan 0.000 0.461 96 L N 8.896 130.130 121.223 0.019 0.000 2.265 96 L HA 0.535 4.961 4.340 0.143 0.000 0.288 96 L C -0.735 176.084 176.870 -0.085 0.000 1.058 96 L CA 0.099 54.945 54.840 0.010 0.000 0.809 96 L CB 0.598 42.700 42.059 0.072 0.000 1.179 96 L HN 0.389 nan 8.230 nan 0.000 0.429 97 I N 4.398 124.921 120.570 -0.078 0.000 2.330 97 I HA 0.365 4.621 4.170 0.143 0.000 0.289 97 I C 0.187 176.246 176.117 -0.097 0.000 1.001 97 I CA 0.095 61.311 61.300 -0.140 0.000 1.193 97 I CB 1.630 39.579 38.000 -0.085 0.000 1.345 97 I HN 0.592 nan 8.210 nan 0.000 0.461 98 S N 4.032 119.632 115.700 -0.168 0.000 2.525 98 S HA 0.728 5.284 4.470 0.143 0.000 0.290 98 S C 0.305 174.920 174.600 0.025 0.000 1.152 98 S CA -0.642 57.547 58.200 -0.018 0.000 1.072 98 S CB 0.959 64.191 63.200 0.054 0.000 1.027 98 S HN 0.777 nan 8.310 nan 0.000 0.500 99 G N 2.038 110.899 108.800 0.102 0.000 2.544 99 G HA2 0.557 4.603 3.960 0.143 0.000 0.242 99 G HA3 0.557 4.603 3.960 0.143 0.000 0.242 99 G C -0.288 174.649 174.900 0.062 0.000 1.247 99 G CA 0.081 45.251 45.100 0.116 0.000 0.840 99 G HN 1.066 nan 8.290 nan 0.000 0.578 100 A N 2.521 125.272 122.820 -0.114 0.000 2.566 100 A HA 0.894 5.300 4.320 0.143 0.000 0.292 100 A C -2.837 174.356 177.584 -0.651 0.000 1.112 100 A CA -1.474 50.264 52.037 -0.499 0.000 0.707 100 A CB 1.535 20.377 19.000 -0.263 0.000 1.302 100 A HN 0.515 nan 8.150 nan 0.000 0.409 101 P HA -0.009 nan 4.420 nan 0.000 0.268 101 P C -0.316 176.865 177.300 -0.199 0.000 1.208 101 P CA -0.264 62.456 63.100 -0.633 0.000 0.777 101 P CB 0.357 31.467 31.700 -0.983 0.000 0.875 102 N N 1.298 119.984 118.700 -0.022 0.000 2.357 102 N HA -0.088 4.738 4.740 0.143 0.000 0.257 102 N C 1.195 176.720 175.510 0.026 0.000 1.250 102 N CA 0.678 53.742 53.050 0.023 0.000 0.862 102 N CB 0.511 39.032 38.487 0.058 0.000 1.066 102 N HN 0.357 nan 8.380 nan 0.000 0.468 103 S N 3.104 118.818 115.700 0.023 0.000 2.442 103 S HA -0.101 4.455 4.470 0.143 0.000 0.236 103 S C 1.132 175.754 174.600 0.037 0.000 1.007 103 S CA 0.674 58.891 58.200 0.029 0.000 0.965 103 S CB -0.062 63.147 63.200 0.016 0.000 0.773 103 S HN 0.637 nan 8.310 nan 0.000 0.504 104 N N 1.618 120.343 118.700 0.043 0.000 2.550 104 N HA -0.008 4.818 4.740 0.143 0.000 0.186 104 N C 0.487 176.033 175.510 0.060 0.000 1.110 104 N CA 0.868 53.944 53.050 0.043 0.000 0.912 104 N CB -0.210 38.306 38.487 0.047 0.000 0.968 104 N HN 0.498 nan 8.380 nan 0.000 0.448 105 D N 0.716 121.176 120.400 0.100 0.000 2.323 105 D HA -0.047 4.679 4.640 0.143 0.000 0.209 105 D C 0.676 177.039 176.300 0.105 0.000 0.973 105 D CA 0.361 54.453 54.000 0.153 0.000 0.874 105 D CB 0.176 41.106 40.800 0.216 0.000 0.930 105 D HN 0.254 nan 8.370 nan 0.000 0.521 106 Q N -0.172 119.679 119.800 0.085 0.000 2.274 106 Q HA 0.288 4.714 4.340 0.143 0.000 0.280 106 Q C 0.929 176.894 176.000 -0.059 0.000 1.047 106 Q CA 0.818 56.624 55.803 0.004 0.000 0.907 106 Q CB 0.440 29.172 28.738 -0.009 0.000 1.171 106 Q HN 0.292 nan 8.270 nan 0.000 0.381 107 G N 2.494 111.233 108.800 -0.101 0.000 2.168 107 G HA2 -0.322 3.724 3.960 0.143 0.000 0.257 107 G HA3 -0.322 3.724 3.960 0.143 0.000 0.257 107 G C 0.551 175.388 174.900 -0.106 0.000 0.997 107 G CA 0.808 45.851 45.100 -0.095 0.000 0.708 107 G HN 0.795 nan 8.290 nan 0.000 0.520 108 T N -3.533 110.931 114.554 -0.150 0.000 3.014 108 T HA 0.445 4.882 4.350 0.143 0.000 0.250 108 T C 2.337 176.902 174.700 -0.225 0.000 1.060 108 T CA 1.515 63.452 62.100 -0.271 0.000 1.040 108 T CB 0.499 69.009 68.868 -0.596 0.000 0.971 108 T HN 2.106 nan 8.240 nan 0.000 0.497 109 G N 1.214 109.953 108.800 -0.102 0.000 2.157 109 G HA2 -0.240 3.807 3.960 0.143 0.000 0.248 109 G HA3 -0.240 3.807 3.960 0.143 0.000 0.248 109 G C -0.095 174.872 174.900 0.113 0.000 0.979 109 G CA 0.065 45.167 45.100 0.002 0.000 0.650 109 G HN 0.793 nan 8.290 nan 0.000 0.529 110 H N -0.267 118.852 119.070 0.081 0.000 2.848 110 H HA 0.398 5.040 4.556 0.143 0.000 0.341 110 H C 0.857 176.260 175.328 0.124 0.000 1.060 110 H CA -0.226 55.877 56.048 0.091 0.000 1.444 110 H CB 0.749 30.564 29.762 0.090 0.000 1.446 110 H HN 0.262 nan 8.280 nan 0.000 0.583 111 I N 4.856 125.561 120.570 0.225 0.000 2.365 111 I HA 0.110 4.367 4.170 0.143 0.000 0.291 111 I C -0.233 175.971 176.117 0.146 0.000 1.004 111 I CA -0.075 61.333 61.300 0.180 0.000 1.311 111 I CB 0.749 38.829 38.000 0.135 0.000 1.401 111 I HN 0.274 nan 8.210 nan 0.000 0.491 112 L N 5.532 126.836 121.223 0.134 0.000 2.333 112 L HA 0.432 4.859 4.340 0.143 0.000 0.269 112 L C 0.269 177.192 176.870 0.088 0.000 1.010 112 L CA -1.070 53.811 54.840 0.068 0.000 0.818 112 L CB 1.356 43.362 42.059 -0.087 0.000 1.306 112 L HN 0.603 nan 8.230 nan 0.000 0.430 113 H N 1.074 120.169 119.070 0.043 0.000 2.852 113 H HA 0.004 4.646 4.556 0.144 0.000 0.362 113 H C -0.244 175.171 175.328 0.145 0.000 1.122 113 H CA 0.051 56.092 56.048 -0.012 0.000 1.419 113 H CB 0.372 29.989 29.762 -0.241 0.000 1.401 113 H HN 0.717 nan 8.280 nan 0.000 0.609 114 H N -1.207 118.032 119.070 0.282 0.000 2.992 114 H HA -0.182 4.460 4.556 0.143 0.000 0.266 114 H C 0.274 175.787 175.328 0.308 0.000 1.200 114 H CA 1.159 57.379 56.048 0.287 0.000 1.135 114 H CB -2.317 27.678 29.762 0.389 0.000 1.282 114 H HN 0.971 nan 8.280 nan 0.000 0.351 115 T N -2.629 112.149 114.554 0.374 0.000 2.940 115 T HA 0.611 5.047 4.350 0.143 0.000 0.288 115 T C 1.748 176.598 174.700 0.250 0.000 1.045 115 T CA -0.522 61.833 62.100 0.426 0.000 1.018 115 T CB 1.712 70.846 68.868 0.443 0.000 1.151 115 T HN 0.233 nan 8.240 nan 0.000 0.529 116 I N -1.606 119.046 120.570 0.137 0.000 3.444 116 I HA 0.433 4.689 4.170 0.143 0.000 0.287 116 I C 1.481 177.627 176.117 0.048 0.000 1.302 116 I CA 0.380 61.670 61.300 -0.016 0.000 1.368 116 I CB -0.884 36.965 38.000 -0.251 0.000 1.048 116 I HN 1.045 nan 8.210 nan 0.000 0.487 117 G N 1.144 110.017 108.800 0.121 0.000 2.179 117 G HA2 -0.215 3.831 3.960 0.143 0.000 0.220 117 G HA3 -0.215 3.831 3.960 0.143 0.000 0.220 117 G C 0.165 175.132 174.900 0.113 0.000 0.990 117 G CA -0.174 44.994 45.100 0.112 0.000 0.646 117 G HN 0.473 nan 8.290 nan 0.000 0.517 118 K N -0.069 120.410 120.400 0.132 0.000 2.148 118 K HA 0.554 4.960 4.320 0.143 0.000 0.239 118 K C 2.030 178.728 176.600 0.165 0.000 1.018 118 K CA 0.103 56.464 56.287 0.123 0.000 0.923 118 K CB 0.649 33.212 32.500 0.105 0.000 1.117 118 K HN 0.184 nan 8.250 nan 0.000 0.477 119 T N -2.506 112.120 114.554 0.121 0.000 2.995 119 T HA -0.110 4.326 4.350 0.143 0.000 0.269 119 T C 0.531 175.287 174.700 0.093 0.000 1.091 119 T CA 0.783 62.952 62.100 0.115 0.000 1.128 119 T CB -0.184 68.721 68.868 0.062 0.000 0.891 119 T HN 0.670 nan 8.240 nan 0.000 0.492 120 D N 0.367 120.806 120.400 0.065 0.000 2.414 120 D HA 0.227 4.953 4.640 0.143 0.000 0.241 120 D C -0.661 175.694 176.300 0.090 0.000 1.008 120 D CA -1.245 52.697 54.000 -0.097 0.000 1.001 120 D CB 1.449 42.183 40.800 -0.111 0.000 1.277 120 D HN 0.522 nan 8.370 nan 0.000 0.538 121 Y N -1.608 118.771 120.300 0.132 0.000 2.909 121 Y HA 0.281 4.917 4.550 0.143 0.000 0.239 121 Y C 0.574 176.458 175.900 -0.027 0.000 1.023 121 Y CA -0.479 57.716 58.100 0.158 0.000 1.124 121 Y CB -0.294 38.258 38.460 0.153 0.000 1.226 121 Y HN 0.214 nan 8.280 nan 0.000 0.652 122 S N -1.122 114.576 115.700 -0.003 0.000 2.603 122 S HA -0.105 4.451 4.470 0.143 0.000 0.220 122 S C 1.363 175.960 174.600 -0.005 0.000 0.967 122 S CA 0.488 58.681 58.200 -0.010 0.000 0.920 122 S CB -1.109 62.071 63.200 -0.035 0.000 0.773 122 S HN 0.714 nan 8.310 nan 0.000 0.529 123 Y N 1.220 121.580 120.300 0.101 0.000 2.274 123 Y HA -0.038 4.598 4.550 0.144 0.000 0.290 123 Y C 2.401 178.292 175.900 -0.016 0.000 1.145 123 Y CA 1.099 59.221 58.100 0.036 0.000 1.203 123 Y CB -0.783 37.701 38.460 0.040 0.000 0.984 123 Y HN 0.346 nan 8.280 nan 0.000 0.533 124 Q N 0.621 120.114 119.800 -0.512 0.000 2.050 124 Q HA -0.193 4.233 4.340 0.143 0.000 0.202 124 Q C 2.228 178.049 176.000 -0.299 0.000 0.980 124 Q CA 1.877 57.447 55.803 -0.388 0.000 0.840 124 Q CB -0.246 28.115 28.738 -0.629 0.000 0.898 124 Q HN 0.582 nan 8.270 nan 0.000 0.424 125 L N 1.098 122.194 121.223 -0.211 0.000 2.083 125 L HA -0.158 4.269 4.340 0.143 0.000 0.209 125 L C 2.002 178.745 176.870 -0.212 0.000 1.083 125 L CA 1.834 56.520 54.840 -0.257 0.000 0.752 125 L CB -0.442 41.602 42.059 -0.026 0.000 0.899 125 L HN 0.198 nan 8.230 nan 0.000 0.433 126 E N -0.520 119.616 120.200 -0.106 0.000 2.110 126 E HA -0.218 4.218 4.350 0.143 0.000 0.193 126 E C 2.181 178.732 176.600 -0.083 0.000 0.988 126 E CA 1.723 58.085 56.400 -0.063 0.000 0.804 126 E CB -0.299 29.398 29.700 -0.005 0.000 0.745 126 E HN 0.595 nan 8.360 nan 0.000 0.458 127 M N -0.003 119.541 119.600 -0.093 0.000 2.132 127 M HA -0.083 4.483 4.480 0.143 0.000 0.263 127 M C 2.366 178.571 176.300 -0.159 0.000 1.065 127 M CA 1.451 56.697 55.300 -0.090 0.000 1.122 127 M CB -0.234 32.336 32.600 -0.050 0.000 1.365 127 M HN 0.034 nan 8.290 nan 0.000 0.411 128 A N 0.461 123.100 122.820 -0.301 0.000 1.933 128 A HA -0.146 4.260 4.320 0.143 0.000 0.218 128 A C 2.142 179.592 177.584 -0.223 0.000 1.175 128 A CA 1.426 53.234 52.037 -0.381 0.000 0.628 128 A CB -0.615 17.791 19.000 -0.990 0.000 0.814 128 A HN 0.418 nan 8.150 nan 0.000 0.444 129 R N -1.138 119.254 120.500 -0.180 0.000 2.105 129 R HA -0.176 4.250 4.340 0.143 0.000 0.239 129 R C 2.260 178.513 176.300 -0.078 0.000 1.135 129 R CA 1.525 57.574 56.100 -0.086 0.000 0.967 129 R CB -0.269 29.996 30.300 -0.058 0.000 0.861 129 R HN 0.457 nan 8.270 nan 0.000 0.442 130 Q N 0.001 119.745 119.800 -0.094 0.000 2.234 130 Q HA -0.109 4.317 4.340 0.143 0.000 0.206 130 Q C 1.593 177.493 176.000 -0.167 0.000 0.980 130 Q CA 1.389 57.131 55.803 -0.103 0.000 0.869 130 Q CB 0.176 28.869 28.738 -0.076 0.000 0.912 130 Q HN 0.396 nan 8.270 nan 0.000 0.436 131 V N -3.396 116.425 119.914 -0.155 0.000 3.070 131 V HA 0.449 4.655 4.120 0.143 0.000 0.345 131 V C -0.000 176.057 176.094 -0.061 0.000 1.403 131 V CA 0.154 62.330 62.300 -0.206 0.000 1.155 131 V CB 0.054 31.794 31.823 -0.140 0.000 1.140 131 V HN 0.139 nan 8.190 nan 0.000 0.505 132 T N -2.938 111.629 114.554 0.020 0.000 2.883 132 T HA 0.389 4.825 4.350 0.143 0.000 0.296 132 T C 0.780 175.633 174.700 0.256 0.000 1.117 132 T CA 0.111 62.326 62.100 0.191 0.000 1.006 132 T CB 1.359 70.296 68.868 0.115 0.000 1.191 132 T HN 0.534 nan 8.240 nan 0.000 0.508 133 C N -0.115 119.319 119.300 0.224 0.000 2.673 133 C HA 0.766 5.312 4.460 0.143 0.000 0.264 133 C C 0.945 175.987 174.990 0.086 0.000 1.304 133 C CA 0.095 59.204 59.018 0.151 0.000 1.727 133 C CB -1.620 26.145 27.740 0.043 0.000 1.932 133 C HN 1.179 nan 8.230 nan 0.000 0.563 134 A N 0.061 122.931 122.820 0.082 0.000 2.566 134 A HA 0.836 5.242 4.320 0.143 0.000 0.297 134 A C -0.988 176.684 177.584 0.147 0.000 1.059 134 A CA 0.427 52.520 52.037 0.094 0.000 0.691 134 A CB 0.733 19.698 19.000 -0.057 0.000 1.282 134 A HN 1.682 nan 8.150 nan 0.000 0.401 135 A N 1.886 124.822 122.820 0.194 0.000 2.466 135 A HA 0.733 5.139 4.320 0.143 0.000 0.284 135 A C -1.223 176.517 177.584 0.260 0.000 1.049 135 A CA -0.384 51.816 52.037 0.271 0.000 0.760 135 A CB 1.143 20.239 19.000 0.160 0.000 1.274 135 A HN 0.645 nan 8.150 nan 0.000 0.412 136 E N 0.568 120.934 120.200 0.277 0.000 2.343 136 E HA 0.584 5.020 4.350 0.143 0.000 0.270 136 E C -1.125 175.572 176.600 0.161 0.000 0.895 136 E CA -0.574 55.934 56.400 0.180 0.000 0.767 136 E CB 2.268 32.049 29.700 0.135 0.000 1.248 136 E HN 0.433 nan 8.360 nan 0.000 0.440 137 S N 1.939 117.712 115.700 0.122 0.000 2.530 137 S HA 0.515 5.071 4.470 0.143 0.000 0.322 137 S C -0.402 174.224 174.600 0.043 0.000 1.085 137 S CA -0.583 57.676 58.200 0.098 0.000 1.096 137 S CB 0.075 63.348 63.200 0.122 0.000 0.988 137 S HN 0.345 nan 8.310 nan 0.000 0.466 138 I N 4.180 124.758 120.570 0.013 0.000 2.325 138 I HA 0.276 4.533 4.170 0.143 0.000 0.291 138 I C 1.060 177.176 176.117 -0.002 0.000 1.019 138 I CA -0.077 61.222 61.300 -0.003 0.000 1.302 138 I CB 1.629 39.615 38.000 -0.023 0.000 1.401 138 I HN 0.595 nan 8.210 nan 0.000 0.485 139 T N 3.692 118.247 114.554 0.002 0.000 3.087 139 T HA 0.097 4.533 4.350 0.143 0.000 0.283 139 T C -0.469 174.234 174.700 0.005 0.000 0.956 139 T CA -0.192 61.911 62.100 0.004 0.000 0.894 139 T CB -0.098 68.775 68.868 0.009 0.000 1.160 139 T HN 0.835 nan 8.240 nan 0.000 0.532 140 D N -0.678 119.726 120.400 0.006 0.000 2.655 140 D HA 0.426 5.152 4.640 0.143 0.000 0.229 140 D C 0.710 177.017 176.300 0.011 0.000 1.229 140 D CA -0.458 53.551 54.000 0.014 0.000 0.807 140 D CB 1.481 42.297 40.800 0.026 0.000 1.514 140 D HN -0.045 nan 8.370 nan 0.000 0.444 141 A N 0.621 123.452 122.820 0.018 0.000 2.014 141 A HA -0.193 4.213 4.320 0.143 0.000 0.218 141 A C 1.947 179.527 177.584 -0.007 0.000 1.163 141 A CA 1.274 53.309 52.037 -0.003 0.000 0.652 141 A CB -1.006 17.999 19.000 0.009 0.000 0.808 141 A HN 0.789 nan 8.150 nan 0.000 0.449 142 H N 0.950 119.991 119.070 -0.048 0.000 2.357 142 H HA -0.103 4.540 4.556 0.144 0.000 0.301 142 H C 2.115 177.404 175.328 -0.064 0.000 1.082 142 H CA 2.020 58.038 56.048 -0.049 0.000 1.342 142 H CB 0.067 29.810 29.762 -0.032 0.000 1.389 142 H HN 0.567 nan 8.280 nan 0.000 0.511 143 S N -0.101 115.606 115.700 0.012 0.000 2.593 143 S HA 0.220 4.776 4.470 0.143 0.000 0.217 143 S C 2.172 176.712 174.600 -0.100 0.000 0.966 143 S CA 0.325 58.498 58.200 -0.044 0.000 0.914 143 S CB 0.086 63.306 63.200 0.032 0.000 0.776 143 S HN 0.506 nan 8.310 nan 0.000 0.523 144 A N 3.313 126.054 122.820 -0.131 0.000 1.877 144 A HA 0.097 4.503 4.320 0.143 0.000 0.216 144 A C 0.063 177.493 177.584 -0.258 0.000 1.186 144 A CA 1.420 53.361 52.037 -0.161 0.000 0.620 144 A CB -1.834 17.067 19.000 -0.164 0.000 0.822 144 A HN 0.519 nan 8.150 nan 0.000 0.443 145 P HA -0.175 nan 4.420 nan 0.000 0.215 145 P C 1.790 179.009 177.300 -0.136 0.000 1.157 145 P CA 2.160 64.923 63.100 -0.562 0.000 0.874 145 P CB -0.167 31.211 31.700 -0.536 0.000 0.790 146 A N -0.175 122.583 122.820 -0.104 0.000 1.902 146 A HA -0.239 4.167 4.320 0.143 0.000 0.217 146 A C 2.116 179.723 177.584 0.039 0.000 1.181 146 A CA 1.850 53.877 52.037 -0.018 0.000 0.623 146 A CB -1.068 17.906 19.000 -0.043 0.000 0.818 146 A HN 0.143 nan 8.150 nan 0.000 0.443 147 K N -0.560 119.849 120.400 0.015 0.000 2.025 147 K HA -0.048 4.358 4.320 0.143 0.000 0.207 147 K C 1.886 178.548 176.600 0.103 0.000 1.049 147 K CA 1.501 57.828 56.287 0.067 0.000 0.933 147 K CB -0.400 32.117 32.500 0.030 0.000 0.714 147 K HN 0.520 nan 8.250 nan 0.000 0.438 148 I N 1.703 122.315 120.570 0.069 0.000 2.163 148 I HA -0.305 3.951 4.170 0.143 0.000 0.243 148 I C 1.711 177.906 176.117 0.131 0.000 1.085 148 I CA 1.384 62.748 61.300 0.107 0.000 1.347 148 I CB -0.324 37.782 38.000 0.176 0.000 1.044 148 I HN 0.131 nan 8.210 nan 0.000 0.408 149 D N -0.546 119.952 120.400 0.164 0.000 2.117 149 D HA -0.235 4.492 4.640 0.143 0.000 0.197 149 D C 1.979 178.345 176.300 0.110 0.000 0.987 149 D CA 1.377 55.460 54.000 0.138 0.000 0.829 149 D CB -0.415 40.474 40.800 0.150 0.000 0.961 149 D HN 0.429 nan 8.370 nan 0.000 0.460 150 H N 0.572 119.667 119.070 0.042 0.000 2.319 150 H HA -0.113 4.528 4.556 0.142 0.000 0.299 150 H C 2.020 177.368 175.328 0.033 0.000 1.092 150 H CA 2.540 58.608 56.048 0.032 0.000 1.302 150 H CB -0.301 29.477 29.762 0.028 0.000 1.373 150 H HN 0.064 nan 8.280 nan 0.000 0.497 151 V N -0.785 119.085 119.914 -0.073 0.000 2.307 151 V HA -0.161 4.046 4.120 0.143 0.000 0.245 151 V C 2.408 178.439 176.094 -0.104 0.000 1.045 151 V CA 1.992 64.216 62.300 -0.126 0.000 1.024 151 V CB -0.868 30.957 31.823 0.003 0.000 0.651 151 V HN 0.471 nan 8.190 nan 0.000 0.449 152 I N -0.017 120.527 120.570 -0.043 0.000 2.142 152 I HA -0.185 4.071 4.170 0.143 0.000 0.240 152 I C 3.153 179.242 176.117 -0.047 0.000 1.078 152 I CA 2.097 63.379 61.300 -0.030 0.000 1.343 152 I CB -0.463 37.536 38.000 -0.002 0.000 1.046 152 I HN 0.213 nan 8.210 nan 0.000 0.405 153 R N 0.039 120.510 120.500 -0.049 0.000 2.096 153 R HA -0.122 4.304 4.340 0.143 0.000 0.235 153 R C 2.322 178.574 176.300 -0.079 0.000 1.127 153 R CA 1.922 57.995 56.100 -0.046 0.000 0.968 153 R CB -0.544 29.746 30.300 -0.016 0.000 0.861 153 R HN 0.393 nan 8.270 nan 0.000 0.440 154 T N 0.874 115.336 114.554 -0.154 0.000 2.737 154 T HA -0.105 4.332 4.350 0.143 0.000 0.265 154 T C 1.961 176.594 174.700 -0.110 0.000 1.038 154 T CA 1.324 63.326 62.100 -0.163 0.000 1.144 154 T CB -0.239 68.446 68.868 -0.304 0.000 0.866 154 T HN 0.347 nan 8.240 nan 0.000 0.434 155 A N 1.491 124.250 122.820 -0.101 0.000 1.883 155 A HA -0.045 4.361 4.320 0.143 0.000 0.217 155 A C 2.327 179.871 177.584 -0.067 0.000 1.186 155 A CA 1.388 53.380 52.037 -0.074 0.000 0.624 155 A CB -0.950 18.020 19.000 -0.050 0.000 0.822 155 A HN 0.476 nan 8.150 nan 0.000 0.444 156 L N -1.308 119.883 121.223 -0.053 0.000 2.093 156 L HA -0.147 4.279 4.340 0.143 0.000 0.208 156 L C 2.805 179.647 176.870 -0.047 0.000 1.085 156 L CA 1.694 56.509 54.840 -0.042 0.000 0.755 156 L CB -0.484 41.558 42.059 -0.028 0.000 0.904 156 L HN 0.504 nan 8.230 nan 0.000 0.435 157 R N 0.562 121.033 120.500 -0.049 0.000 2.075 157 R HA -0.151 4.275 4.340 0.143 0.000 0.232 157 R C 1.887 178.152 176.300 -0.057 0.000 1.126 157 R CA 1.491 57.564 56.100 -0.044 0.000 0.963 157 R CB 0.008 30.286 30.300 -0.037 0.000 0.858 157 R HN 0.367 nan 8.270 nan 0.000 0.435 158 E N -0.093 120.062 120.200 -0.074 0.000 2.447 158 E HA 0.011 4.447 4.350 0.143 0.000 0.195 158 E C -0.389 176.135 176.600 -0.127 0.000 1.028 158 E CA -0.130 56.212 56.400 -0.097 0.000 0.876 158 E CB 0.475 30.112 29.700 -0.105 0.000 0.885 158 E HN 0.132 nan 8.360 nan 0.000 0.500 159 R N 1.291 121.725 120.500 -0.111 0.000 3.264 159 R HA -0.142 4.284 4.340 0.143 0.000 0.251 159 R C -0.956 175.232 176.300 -0.186 0.000 0.971 159 R CA 0.681 56.711 56.100 -0.118 0.000 0.658 159 R CB -1.261 28.978 30.300 -0.102 0.000 1.095 159 R HN -0.038 nan 8.270 nan 0.000 0.443 160 K N -0.424 119.857 120.400 -0.199 0.000 2.482 160 K HA 0.532 4.938 4.320 0.143 0.000 0.257 160 K C -2.635 173.880 176.600 -0.142 0.000 0.969 160 K CA -2.189 53.919 56.287 -0.299 0.000 0.842 160 K CB 2.155 34.375 32.500 -0.466 0.000 1.359 160 K HN -0.148 nan 8.250 nan 0.000 0.441 161 P HA 0.335 nan 4.420 nan 0.000 0.276 161 P C -1.131 176.192 177.300 0.039 0.000 1.252 161 P CA -0.377 62.722 63.100 -0.003 0.000 0.802 161 P CB 1.027 32.738 31.700 0.019 0.000 1.035 162 A N 1.132 123.981 122.820 0.048 0.000 2.532 162 A HA 0.681 5.087 4.320 0.143 0.000 0.290 162 A C -1.921 175.744 177.584 0.135 0.000 1.143 162 A CA -0.621 51.465 52.037 0.081 0.000 0.728 162 A CB 1.326 20.343 19.000 0.027 0.000 1.317 162 A HN 0.590 nan 8.150 nan 0.000 0.414 163 Y N 0.157 120.466 120.300 0.015 0.000 2.462 163 Y HA 0.765 5.400 4.550 0.143 0.000 0.346 163 Y C -1.532 174.384 175.900 0.028 0.000 0.976 163 Y CA -0.942 57.168 58.100 0.016 0.000 1.044 163 Y CB 1.542 40.009 38.460 0.012 0.000 1.230 163 Y HN 0.677 nan 8.280 nan 0.000 0.455 164 L N 5.416 126.224 121.223 -0.691 0.000 2.408 164 L HA 0.395 4.821 4.340 0.143 0.000 0.268 164 L C -1.491 174.926 176.870 -0.754 0.000 0.986 164 L CA -0.869 53.646 54.840 -0.541 0.000 0.820 164 L CB 2.021 43.943 42.059 -0.228 0.000 1.303 164 L HN 0.712 nan 8.230 nan 0.000 0.411 165 D N 3.870 124.027 120.400 -0.406 0.000 2.168 165 D HA 0.568 5.294 4.640 0.143 0.000 0.246 165 D C -0.613 175.634 176.300 -0.088 0.000 1.050 165 D CA 0.044 53.942 54.000 -0.170 0.000 0.857 165 D CB 2.273 43.094 40.800 0.036 0.000 1.169 165 D HN 0.230 nan 8.370 nan 0.000 0.453 166 I N 1.709 122.242 120.570 -0.062 0.000 2.439 166 I HA 0.348 4.604 4.170 0.143 0.000 0.285 166 I C 0.251 176.350 176.117 -0.030 0.000 1.021 166 I CA -1.050 60.228 61.300 -0.037 0.000 1.091 166 I CB 1.873 39.853 38.000 -0.033 0.000 1.242 166 I HN 0.292 nan 8.210 nan 0.000 0.439 167 A N 4.475 127.276 122.820 -0.033 0.000 2.567 167 A HA 0.020 4.426 4.320 0.143 0.000 0.240 167 A C 1.514 179.096 177.584 -0.004 0.000 1.053 167 A CA 0.062 52.075 52.037 -0.039 0.000 0.755 167 A CB 0.007 18.993 19.000 -0.024 0.000 0.978 167 A HN 1.139 nan 8.150 nan 0.000 0.507 168 C N 2.366 121.680 119.300 0.023 0.000 2.413 168 C HA -0.147 4.399 4.460 0.143 0.000 0.277 168 C C 2.080 177.094 174.990 0.040 0.000 1.265 168 C CA 1.102 60.159 59.018 0.064 0.000 1.752 168 C CB -1.385 26.440 27.740 0.142 0.000 1.998 168 C HN 0.915 nan 8.230 nan 0.000 0.489 169 N N 1.653 120.372 118.700 0.031 0.000 2.512 169 N HA -0.019 4.807 4.740 0.143 0.000 0.183 169 N C 1.321 176.838 175.510 0.013 0.000 1.073 169 N CA 1.023 54.087 53.050 0.022 0.000 0.911 169 N CB -0.564 37.937 38.487 0.024 0.000 0.964 169 N HN 0.620 nan 8.380 nan 0.000 0.447 170 I N 0.384 120.959 120.570 0.007 0.000 3.645 170 I HA 0.131 4.388 4.170 0.143 0.000 0.300 170 I C 2.277 178.390 176.117 -0.008 0.000 1.260 170 I CA 0.122 61.421 61.300 -0.000 0.000 1.365 170 I CB 0.074 38.072 38.000 -0.003 0.000 1.077 170 I HN 0.077 nan 8.210 nan 0.000 0.439 171 A N -0.152 122.664 122.820 -0.006 0.000 1.986 171 A HA -0.210 4.196 4.320 0.143 0.000 0.220 171 A C 2.363 179.934 177.584 -0.022 0.000 1.171 171 A CA 2.218 54.247 52.037 -0.014 0.000 0.640 171 A CB -0.560 18.438 19.000 -0.004 0.000 0.811 171 A HN 0.364 nan 8.150 nan 0.000 0.451 172 S N -0.317 115.376 115.700 -0.012 0.000 2.527 172 S HA 0.046 4.602 4.470 0.143 0.000 0.222 172 S C 0.556 175.150 174.600 -0.010 0.000 0.985 172 S CA -0.102 58.090 58.200 -0.014 0.000 0.921 172 S CB -0.061 63.137 63.200 -0.003 0.000 0.772 172 S HN 0.539 nan 8.310 nan 0.000 0.529 173 E N 2.399 122.596 120.200 -0.006 0.000 2.373 173 E HA 0.187 4.623 4.350 0.143 0.000 0.267 173 E C -2.548 174.060 176.600 0.012 0.000 1.032 173 E CA -2.289 54.114 56.400 0.005 0.000 0.889 173 E CB 0.075 29.779 29.700 0.006 0.000 0.984 173 E HN 0.098 nan 8.360 nan 0.000 0.425 174 P HA -0.031 nan 4.420 nan 0.000 0.267 174 P C -0.429 176.910 177.300 0.066 0.000 1.200 174 P CA 0.039 63.173 63.100 0.057 0.000 0.772 174 P CB 0.549 32.282 31.700 0.055 0.000 0.855 175 C N 2.908 122.283 119.300 0.125 0.000 3.170 175 C HA 0.501 5.047 4.460 0.143 0.000 0.319 175 C C -0.119 174.992 174.990 0.201 0.000 1.260 175 C CA -0.590 58.501 59.018 0.122 0.000 1.374 175 C CB 0.911 28.715 27.740 0.108 0.000 1.739 175 C HN 0.604 nan 8.230 nan 0.000 0.479 176 V N 3.476 123.451 119.914 0.102 0.000 3.096 176 V HA 0.487 4.693 4.120 0.143 0.000 0.306 176 V C 0.257 176.468 176.094 0.195 0.000 1.088 176 V CA -0.098 62.256 62.300 0.091 0.000 1.129 176 V CB 0.149 31.992 31.823 0.032 0.000 1.014 176 V HN 0.945 nan 8.190 nan 0.000 0.486 177 R N 2.683 123.160 120.500 -0.038 0.000 2.457 177 R HA 0.499 4.925 4.340 0.143 0.000 0.284 177 R C -2.361 173.939 176.300 0.000 0.000 1.024 177 R CA -1.623 54.336 56.100 -0.235 0.000 1.025 177 R CB 0.801 30.756 30.300 -0.575 0.000 1.063 177 R HN 0.703 nan 8.270 nan 0.000 0.493 178 P HA 0.097 nan 4.420 nan 0.000 0.279 178 P C -0.275 176.951 177.300 -0.123 0.000 1.239 178 P CA -0.325 62.656 63.100 -0.197 0.000 0.789 178 P CB 1.054 32.415 31.700 -0.565 0.000 0.933 179 G N 3.346 112.108 108.800 -0.064 0.000 2.599 179 G HA2 0.414 4.460 3.960 0.143 0.000 0.264 179 G HA3 0.414 4.460 3.960 0.143 0.000 0.264 179 G C -2.271 172.594 174.900 -0.058 0.000 1.200 179 G CA -1.096 43.972 45.100 -0.053 0.000 0.896 179 G HN 0.421 nan 8.290 nan 0.000 0.536 180 P HA 0.290 nan 4.420 nan 0.000 0.271 180 P C -0.284 176.998 177.300 -0.031 0.000 1.218 180 P CA -0.077 62.999 63.100 -0.040 0.000 0.780 180 P CB 1.337 33.017 31.700 -0.032 0.000 0.901 181 V N -1.660 118.236 119.914 -0.029 0.000 2.962 181 V HA 0.429 4.635 4.120 0.143 0.000 0.313 181 V C 1.236 177.320 176.094 -0.017 0.000 1.099 181 V CA -0.545 61.742 62.300 -0.021 0.000 0.971 181 V CB 1.246 33.055 31.823 -0.022 0.000 1.028 181 V HN 0.491 nan 8.190 nan 0.000 0.430 182 S N 1.223 116.916 115.700 -0.011 0.000 2.345 182 S HA 0.073 4.629 4.470 0.143 0.000 0.220 182 S C 0.920 175.514 174.600 -0.010 0.000 1.031 182 S CA 1.623 59.818 58.200 -0.009 0.000 0.996 182 S CB -0.132 63.065 63.200 -0.004 0.000 0.882 182 S HN 1.523 nan 8.310 nan 0.000 0.445 183 S N -1.186 114.509 115.700 -0.009 0.000 2.552 183 S HA 0.431 4.987 4.470 0.143 0.000 0.272 183 S C -0.610 173.985 174.600 -0.009 0.000 1.150 183 S CA -0.685 57.510 58.200 -0.009 0.000 0.849 183 S CB 0.712 63.907 63.200 -0.007 0.000 1.113 183 S HN 0.066 nan 8.310 nan 0.000 0.458 184 L N 2.323 123.540 121.223 -0.011 0.000 2.599 184 L HA 0.461 4.887 4.340 0.143 0.000 0.230 184 L C 0.335 177.199 176.870 -0.009 0.000 1.141 184 L CA 0.724 55.558 54.840 -0.010 0.000 0.877 184 L CB -0.617 41.434 42.059 -0.013 0.000 1.009 184 L HN 0.686 nan 8.230 nan 0.000 0.447 185 L N 0.432 121.649 121.223 -0.009 0.000 2.265 185 L HA 0.458 4.885 4.340 0.143 0.000 0.288 185 L C 0.007 176.873 176.870 -0.006 0.000 1.058 185 L CA -0.010 54.824 54.840 -0.011 0.000 0.809 185 L CB 0.986 43.038 42.059 -0.013 0.000 1.179 185 L HN 0.182 nan 8.230 nan 0.000 0.429 186 S N 3.781 119.477 115.700 -0.005 0.000 2.775 186 S HA 0.535 5.091 4.470 0.143 0.000 0.277 186 S C -0.698 173.902 174.600 0.000 0.000 1.156 186 S CA -0.948 57.253 58.200 0.001 0.000 1.081 186 S CB 0.795 63.998 63.200 0.006 0.000 1.054 186 S HN 0.677 nan 8.310 nan 0.000 0.482 187 E N 3.262 123.463 120.200 0.001 0.000 2.392 187 E HA 0.324 4.760 4.350 0.143 0.000 0.259 187 E C -2.170 174.434 176.600 0.008 0.000 1.108 187 E CA -1.702 54.698 56.400 0.001 0.000 0.916 187 E CB -0.228 29.475 29.700 0.004 0.000 0.989 187 E HN 0.494 nan 8.360 nan 0.000 0.432 188 P HA -0.012 nan 4.420 nan 0.000 0.271 188 P C -0.369 176.943 177.300 0.019 0.000 1.218 188 P CA -0.065 63.042 63.100 0.011 0.000 0.780 188 P CB 0.373 32.075 31.700 0.003 0.000 0.901 189 E N 2.714 122.930 120.200 0.027 0.000 2.452 189 E HA 0.041 4.477 4.350 0.143 0.000 0.261 189 E C 0.161 176.778 176.600 0.028 0.000 0.987 189 E CA -0.592 55.830 56.400 0.037 0.000 0.926 189 E CB 0.403 30.133 29.700 0.050 0.000 0.934 189 E HN 0.337 nan 8.360 nan 0.000 0.452 190 I N 2.692 123.266 120.570 0.006 0.000 2.529 190 I HA 0.019 4.275 4.170 0.143 0.000 0.284 190 I C -0.299 175.758 176.117 -0.100 0.000 1.082 190 I CA -0.001 61.267 61.300 -0.053 0.000 1.406 190 I CB 0.986 38.913 38.000 -0.122 0.000 1.405 190 I HN 0.732 nan 8.210 nan 0.000 0.548 191 D N 6.616 127.013 120.400 -0.006 0.000 2.365 191 D HA 0.074 4.800 4.640 0.143 0.000 0.237 191 D C 0.731 177.042 176.300 0.019 0.000 1.190 191 D CA -0.011 54.021 54.000 0.053 0.000 0.867 191 D CB 0.414 41.283 40.800 0.116 0.000 1.050 191 D HN 0.580 nan 8.370 nan 0.000 0.491 192 H N 1.308 120.429 119.070 0.086 0.000 2.470 192 H HA -0.032 4.537 4.556 0.020 0.000 0.289 192 H C 1.751 177.106 175.328 0.046 0.000 1.033 192 H CA 1.338 57.415 56.048 0.049 0.000 1.331 192 H CB 0.564 30.342 29.762 0.028 0.000 1.414 192 H HN 0.340 nan 8.280 nan 0.000 0.545 193 T N -0.960 113.695 114.554 0.167 0.000 2.708 193 T HA -0.213 4.223 4.350 0.143 0.000 0.266 193 T C 2.264 177.048 174.700 0.140 0.000 1.037 193 T CA 1.574 63.751 62.100 0.129 0.000 1.146 193 T CB -0.361 68.576 68.868 0.115 0.000 0.865 193 T HN 0.276 nan 8.240 nan 0.000 0.435 194 S N 0.490 116.301 115.700 0.185 0.000 2.368 194 S HA 0.062 4.618 4.470 0.143 0.000 0.224 194 S C 1.983 176.704 174.600 0.201 0.000 1.029 194 S CA 0.532 58.907 58.200 0.292 0.000 0.988 194 S CB -0.512 62.916 63.200 0.378 0.000 0.838 194 S HN 0.382 nan 8.310 nan 0.000 0.462 195 L N 1.340 122.562 121.223 -0.002 0.000 2.012 195 L HA -0.153 4.273 4.340 0.143 0.000 0.210 195 L C 2.658 179.382 176.870 -0.243 0.000 1.073 195 L CA 1.938 56.507 54.840 -0.453 0.000 0.748 195 L CB -0.542 41.278 42.059 -0.397 0.000 0.891 195 L HN 0.387 nan 8.230 nan 0.000 0.431 196 K N -0.332 120.018 120.400 -0.084 0.000 2.057 196 K HA -0.204 4.202 4.320 0.143 0.000 0.207 196 K C 1.936 178.492 176.600 -0.074 0.000 1.049 196 K CA 1.470 57.724 56.287 -0.055 0.000 0.931 196 K CB -0.064 32.440 32.500 0.007 0.000 0.714 196 K HN 0.405 nan 8.250 nan 0.000 0.440 197 A N 0.888 123.683 122.820 -0.041 0.000 1.930 197 A HA -0.045 4.361 4.320 0.143 0.000 0.217 197 A C 2.269 179.616 177.584 -0.396 0.000 1.175 197 A CA 1.680 53.684 52.037 -0.056 0.000 0.627 197 A CB -0.573 18.529 19.000 0.171 0.000 0.815 197 A HN 0.470 nan 8.150 nan 0.000 0.443 198 A N -0.517 121.953 122.820 -0.582 0.000 1.898 198 A HA 0.029 4.436 4.320 0.143 0.000 0.216 198 A C 2.220 179.687 177.584 -0.196 0.000 1.181 198 A CA 1.743 53.313 52.037 -0.778 0.000 0.620 198 A CB -0.860 17.931 19.000 -0.349 0.000 0.819 198 A HN 0.357 nan 8.150 nan 0.000 0.442 199 V N 0.593 120.447 119.914 -0.100 0.000 2.307 199 V HA -0.226 3.980 4.120 0.143 0.000 0.245 199 V C 2.193 178.225 176.094 -0.102 0.000 1.045 199 V CA 2.263 64.499 62.300 -0.106 0.000 1.024 199 V CB -0.881 30.823 31.823 -0.198 0.000 0.651 199 V HN 0.470 nan 8.190 nan 0.000 0.449 200 D N 0.610 120.948 120.400 -0.103 0.000 2.123 200 D HA -0.160 4.566 4.640 0.143 0.000 0.196 200 D C 2.197 178.468 176.300 -0.048 0.000 0.992 200 D CA 1.786 55.746 54.000 -0.065 0.000 0.833 200 D CB -0.380 40.394 40.800 -0.044 0.000 0.954 200 D HN 0.441 nan 8.370 nan 0.000 0.455 201 A N 0.004 122.778 122.820 -0.077 0.000 1.930 201 A HA -0.133 4.273 4.320 0.143 0.000 0.217 201 A C 2.343 179.932 177.584 0.009 0.000 1.175 201 A CA 1.979 54.003 52.037 -0.021 0.000 0.627 201 A CB -0.760 18.227 19.000 -0.022 0.000 0.815 201 A HN 0.230 nan 8.150 nan 0.000 0.443 202 T N -0.502 114.058 114.554 0.010 0.000 2.777 202 T HA -0.079 4.357 4.350 0.143 0.000 0.266 202 T C 1.867 176.577 174.700 0.015 0.000 1.040 202 T CA 1.405 63.539 62.100 0.057 0.000 1.141 202 T CB -0.351 68.609 68.868 0.153 0.000 0.868 202 T HN 0.131 nan 8.240 nan 0.000 0.444 203 V N 1.773 121.675 119.914 -0.020 0.000 2.343 203 V HA -0.175 4.032 4.120 0.143 0.000 0.247 203 V C 2.901 178.989 176.094 -0.011 0.000 1.051 203 V CA 1.712 63.995 62.300 -0.029 0.000 1.036 203 V CB -1.191 30.603 31.823 -0.048 0.000 0.654 203 V HN 0.529 nan 8.190 nan 0.000 0.451 204 A N -0.206 122.612 122.820 -0.004 0.000 1.883 204 A HA -0.229 4.177 4.320 0.143 0.000 0.217 204 A C 2.172 179.763 177.584 0.012 0.000 1.186 204 A CA 2.259 54.300 52.037 0.006 0.000 0.624 204 A CB -0.624 18.384 19.000 0.013 0.000 0.822 204 A HN 0.460 nan 8.150 nan 0.000 0.444 205 L N -0.362 120.874 121.223 0.021 0.000 2.046 205 L HA -0.076 4.350 4.340 0.143 0.000 0.208 205 L C 2.293 179.174 176.870 0.017 0.000 1.077 205 L CA 1.648 56.503 54.840 0.025 0.000 0.747 205 L CB -0.504 41.579 42.059 0.039 0.000 0.896 205 L HN 0.398 nan 8.230 nan 0.000 0.432 206 L N -0.713 120.519 121.223 0.014 0.000 2.046 206 L HA -0.225 4.202 4.340 0.143 0.000 0.208 206 L C 2.534 179.406 176.870 0.002 0.000 1.077 206 L CA 1.482 56.326 54.840 0.007 0.000 0.747 206 L CB -0.513 41.546 42.059 0.000 0.000 0.896 206 L HN 0.351 nan 8.230 nan 0.000 0.432 207 E N 0.422 120.622 120.200 0.000 0.000 2.085 207 E HA -0.262 4.174 4.350 0.143 0.000 0.194 207 E C 1.797 178.398 176.600 0.002 0.000 0.994 207 E CA 1.589 57.989 56.400 -0.001 0.000 0.801 207 E CB 0.076 29.774 29.700 -0.003 0.000 0.743 207 E HN 0.440 nan 8.360 nan 0.000 0.453 208 K N -0.076 120.327 120.400 0.005 0.000 2.458 208 K HA 0.163 4.569 4.320 0.143 0.000 0.194 208 K C 0.053 176.656 176.600 0.005 0.000 1.024 208 K CA 0.022 56.312 56.287 0.005 0.000 1.108 208 K CB 0.742 33.246 32.500 0.007 0.000 0.846 208 K HN -0.205 nan 8.250 nan 0.000 0.518 209 S N 0.262 115.965 115.700 0.005 0.000 2.610 209 S HA 0.474 5.030 4.470 0.143 0.000 0.273 209 S C 0.835 175.436 174.600 0.002 0.000 1.274 209 S CA -0.407 57.795 58.200 0.004 0.000 1.023 209 S CB 1.620 64.822 63.200 0.004 0.000 0.962 209 S HN 0.405 nan 8.310 nan 0.000 0.523 210 A N 1.815 124.635 122.820 0.001 0.000 1.901 210 A HA 0.259 4.665 4.320 0.143 0.000 0.210 210 A C 0.970 178.554 177.584 -0.000 0.000 1.208 210 A CA 0.648 52.686 52.037 0.000 0.000 0.644 210 A CB -0.135 18.865 19.000 0.000 0.000 0.863 210 A HN 0.986 nan 8.150 nan 0.000 0.454 211 S N -0.207 115.491 115.700 -0.003 0.000 2.381 211 S HA 0.560 5.116 4.470 0.143 0.000 0.193 211 S C -3.381 171.213 174.600 -0.009 0.000 1.287 211 S CA -1.372 56.825 58.200 -0.005 0.000 1.199 211 S CB 1.270 64.466 63.200 -0.006 0.000 1.214 211 S HN 0.036 nan 8.310 nan 0.000 0.444 212 P HA 0.467 nan 4.420 nan 0.000 0.275 212 P C -0.726 176.561 177.300 -0.021 0.000 1.228 212 P CA -0.471 62.623 63.100 -0.010 0.000 0.786 212 P CB 1.117 32.815 31.700 -0.003 0.000 0.927 213 V N 3.422 123.317 119.914 -0.031 0.000 2.769 213 V HA 0.453 4.659 4.120 0.143 0.000 0.312 213 V C 0.099 176.162 176.094 -0.052 0.000 1.061 213 V CA -0.688 61.581 62.300 -0.052 0.000 0.931 213 V CB 1.959 33.738 31.823 -0.074 0.000 1.010 213 V HN 0.481 nan 8.190 nan 0.000 0.433 214 M N 4.144 123.698 119.600 -0.076 0.000 2.238 214 M HA 0.557 5.123 4.480 0.143 0.000 0.350 214 M C -1.248 174.995 176.300 -0.096 0.000 1.138 214 M CA -0.572 54.680 55.300 -0.080 0.000 1.040 214 M CB 1.629 34.157 32.600 -0.119 0.000 1.639 214 M HN 0.488 nan 8.290 nan 0.000 0.451 215 L N 5.590 126.784 121.223 -0.047 0.000 2.349 215 L HA 0.610 5.036 4.340 0.143 0.000 0.278 215 L C -1.645 175.226 176.870 0.002 0.000 0.996 215 L CA -0.229 54.598 54.840 -0.023 0.000 0.825 215 L CB 1.150 43.216 42.059 0.011 0.000 1.243 215 L HN 0.625 nan 8.230 nan 0.000 0.412 216 L N 5.066 126.284 121.223 -0.008 0.000 2.295 216 L HA 0.787 5.213 4.340 0.143 0.000 0.285 216 L C 0.683 177.562 176.870 0.014 0.000 1.035 216 L CA -0.537 54.314 54.840 0.017 0.000 0.806 216 L CB 1.454 43.536 42.059 0.038 0.000 1.214 216 L HN 0.764 nan 8.230 nan 0.000 0.426 217 G N -0.023 108.786 108.800 0.014 0.000 2.597 217 G HA2 0.354 4.400 3.960 0.143 0.000 0.317 217 G HA3 0.354 4.400 3.960 0.143 0.000 0.317 217 G C 0.604 175.543 174.900 0.065 0.000 1.230 217 G CA -0.130 44.942 45.100 -0.047 0.000 0.996 217 G HN 0.641 nan 8.290 nan 0.000 0.490 218 S N -1.255 114.440 115.700 -0.008 0.000 2.607 218 S HA 0.035 4.591 4.470 0.143 0.000 0.224 218 S C 1.317 176.038 174.600 0.202 0.000 0.969 218 S CA 0.464 58.742 58.200 0.130 0.000 0.927 218 S CB 0.003 63.157 63.200 -0.077 0.000 0.772 218 S HN 0.508 nan 8.310 nan 0.000 0.533 219 K N 0.147 120.590 120.400 0.070 0.000 2.404 219 K HA 0.298 4.704 4.320 0.143 0.000 0.194 219 K C 1.226 177.803 176.600 -0.038 0.000 1.023 219 K CA -0.162 56.130 56.287 0.008 0.000 1.094 219 K CB -0.054 32.429 32.500 -0.029 0.000 0.841 219 K HN 0.216 nan 8.250 nan 0.000 0.523 220 L N 1.511 122.718 121.223 -0.028 0.000 2.046 220 L HA -0.148 4.278 4.340 0.143 0.000 0.208 220 L C 2.341 179.029 176.870 -0.304 0.000 1.077 220 L CA 1.742 56.508 54.840 -0.123 0.000 0.747 220 L CB -0.249 41.790 42.059 -0.035 0.000 0.896 220 L HN 0.081 nan 8.230 nan 0.000 0.432 221 R N -0.994 119.148 120.500 -0.596 0.000 2.062 221 R HA -0.092 4.334 4.340 0.143 0.000 0.229 221 R C 2.205 178.350 176.300 -0.259 0.000 1.128 221 R CA 1.217 56.984 56.100 -0.555 0.000 0.960 221 R CB -0.354 29.464 30.300 -0.804 0.000 0.855 221 R HN 0.423 nan 8.270 nan 0.000 0.432 222 A N 0.758 123.470 122.820 -0.180 0.000 1.940 222 A HA -0.100 4.306 4.320 0.143 0.000 0.219 222 A C 2.211 179.740 177.584 -0.092 0.000 1.176 222 A CA 1.681 53.654 52.037 -0.108 0.000 0.631 222 A CB -0.710 18.241 19.000 -0.082 0.000 0.814 222 A HN 0.518 nan 8.150 nan 0.000 0.446 223 A N -0.930 121.835 122.820 -0.090 0.000 2.239 223 A HA 0.133 4.539 4.320 0.143 0.000 0.209 223 A C 0.988 178.540 177.584 -0.055 0.000 1.171 223 A CA 0.930 52.932 52.037 -0.058 0.000 0.768 223 A CB -0.718 18.261 19.000 -0.036 0.000 0.790 223 A HN 0.829 nan 8.150 nan 0.000 0.478 224 N N -2.261 116.387 118.700 -0.087 0.000 2.714 224 N HA -0.216 4.610 4.740 0.143 0.000 0.253 224 N C 0.204 175.679 175.510 -0.058 0.000 1.024 224 N CA 1.025 54.027 53.050 -0.080 0.000 0.726 224 N CB -1.308 37.146 38.487 -0.054 0.000 0.908 224 N HN 0.635 nan 8.380 nan 0.000 0.542 225 A N -0.182 122.595 122.820 -0.072 0.000 2.589 225 A HA 0.377 4.783 4.320 0.143 0.000 0.283 225 A C 1.653 179.221 177.584 -0.027 0.000 1.187 225 A CA -0.321 51.699 52.037 -0.029 0.000 0.957 225 A CB 0.170 19.170 19.000 0.000 0.000 1.175 225 A HN 0.304 nan 8.150 nan 0.000 0.532 226 L N -0.680 120.504 121.223 -0.065 0.000 2.005 226 L HA -0.147 4.280 4.340 0.143 0.000 0.207 226 L C 3.027 179.895 176.870 -0.004 0.000 1.072 226 L CA 1.591 56.406 54.840 -0.041 0.000 0.744 226 L CB -0.670 41.334 42.059 -0.092 0.000 0.895 226 L HN 0.438 nan 8.230 nan 0.000 0.433 227 A N 0.160 122.967 122.820 -0.022 0.000 1.902 227 A HA -0.158 4.248 4.320 0.143 0.000 0.217 227 A C 2.520 180.109 177.584 0.008 0.000 1.181 227 A CA 1.756 53.785 52.037 -0.014 0.000 0.623 227 A CB -0.727 18.260 19.000 -0.022 0.000 0.818 227 A HN 0.415 nan 8.150 nan 0.000 0.443 228 A N -1.155 121.671 122.820 0.010 0.000 1.933 228 A HA -0.087 4.319 4.320 0.143 0.000 0.218 228 A C 2.287 179.894 177.584 0.038 0.000 1.175 228 A CA 2.284 54.331 52.037 0.017 0.000 0.628 228 A CB -1.186 17.824 19.000 0.015 0.000 0.814 228 A HN 0.427 nan 8.150 nan 0.000 0.444 229 T N 0.130 114.723 114.554 0.065 0.000 2.737 229 T HA -0.144 4.292 4.350 0.143 0.000 0.265 229 T C 1.843 176.647 174.700 0.173 0.000 1.038 229 T CA 1.701 63.868 62.100 0.110 0.000 1.144 229 T CB -0.253 68.702 68.868 0.144 0.000 0.866 229 T HN 0.906 nan 8.240 nan 0.000 0.434 230 E N 0.437 120.742 120.200 0.176 0.000 2.358 230 E HA -0.058 4.378 4.350 0.143 0.000 0.195 230 E C 1.798 178.479 176.600 0.135 0.000 1.010 230 E CA 1.022 57.530 56.400 0.181 0.000 0.856 230 E CB -0.322 29.341 29.700 -0.062 0.000 0.795 230 E HN 0.270 nan 8.360 nan 0.000 0.504 231 T N 1.369 115.972 114.554 0.082 0.000 2.777 231 T HA -0.111 4.325 4.350 0.143 0.000 0.266 231 T C 1.669 176.404 174.700 0.058 0.000 1.040 231 T CA 1.130 63.266 62.100 0.059 0.000 1.141 231 T CB -0.231 68.651 68.868 0.023 0.000 0.868 231 T HN 0.136 nan 8.240 nan 0.000 0.444 232 L N 1.513 122.763 121.223 0.046 0.000 2.083 232 L HA 0.102 4.528 4.340 0.143 0.000 0.209 232 L C 2.566 179.468 176.870 0.053 0.000 1.083 232 L CA 1.765 56.618 54.840 0.023 0.000 0.752 232 L CB -0.932 41.126 42.059 -0.002 0.000 0.899 232 L HN 0.217 nan 8.230 nan 0.000 0.433 233 A N -0.923 121.954 122.820 0.097 0.000 1.972 233 A HA -0.200 4.206 4.320 0.143 0.000 0.219 233 A C 1.961 179.667 177.584 0.203 0.000 1.169 233 A CA 1.791 53.902 52.037 0.122 0.000 0.635 233 A CB -0.730 18.349 19.000 0.132 0.000 0.810 233 A HN 0.532 nan 8.150 nan 0.000 0.446 234 D N -0.538 119.991 120.400 0.215 0.000 2.144 234 D HA -0.110 4.616 4.640 0.143 0.000 0.200 234 D C 1.927 178.288 176.300 0.102 0.000 0.978 234 D CA 1.566 55.678 54.000 0.187 0.000 0.833 234 D CB -0.101 40.785 40.800 0.143 0.000 0.961 234 D HN 0.452 nan 8.370 nan 0.000 0.470 235 K N 0.539 120.980 120.400 0.068 0.000 2.076 235 K HA 0.058 4.464 4.320 0.143 0.000 0.204 235 K C 2.101 178.720 176.600 0.031 0.000 1.051 235 K CA 0.570 56.877 56.287 0.033 0.000 0.949 235 K CB -0.308 32.197 32.500 0.008 0.000 0.726 235 K HN 0.052 nan 8.250 nan 0.000 0.443 236 L N 0.316 121.560 121.223 0.036 0.000 2.217 236 L HA -0.085 4.342 4.340 0.143 0.000 0.211 236 L C 0.684 177.578 176.870 0.040 0.000 1.107 236 L CA 0.845 55.701 54.840 0.027 0.000 0.783 236 L CB -0.091 41.978 42.059 0.017 0.000 0.919 236 L HN 0.374 nan 8.230 nan 0.000 0.442 237 Q N -1.610 118.233 119.800 0.071 0.000 2.305 237 Q HA -0.249 4.177 4.340 0.143 0.000 0.203 237 Q C 0.613 176.658 176.000 0.076 0.000 0.663 237 Q CA 1.256 57.108 55.803 0.082 0.000 1.389 237 Q CB -2.697 26.071 28.738 0.051 0.000 1.566 237 Q HN 0.712 nan 8.270 nan 0.000 0.755 238 C N -1.064 118.269 119.300 0.055 0.000 2.480 238 C HA 0.835 5.381 4.460 0.143 0.000 0.344 238 C C 1.269 176.272 174.990 0.022 0.000 1.380 238 C CA -0.275 58.759 59.018 0.027 0.000 2.386 238 C CB 0.475 28.217 27.740 0.003 0.000 2.210 238 C HN 0.505 nan 8.230 nan 0.000 0.640 239 A N 0.798 123.612 122.820 -0.009 0.000 2.477 239 A HA 0.528 4.934 4.320 0.143 0.000 0.246 239 A C -0.150 177.374 177.584 -0.100 0.000 1.078 239 A CA -0.128 51.886 52.037 -0.039 0.000 0.770 239 A CB -0.278 18.690 19.000 -0.053 0.000 1.011 239 A HN 1.185 nan 8.150 nan 0.000 0.494 240 V N 3.291 123.113 119.914 -0.154 0.000 2.409 240 V HA 0.603 4.809 4.120 0.143 0.000 0.291 240 V C 0.424 176.345 176.094 -0.289 0.000 1.020 240 V CA 0.019 62.132 62.300 -0.311 0.000 0.848 240 V CB 1.441 32.844 31.823 -0.699 0.000 0.990 240 V HN 1.128 nan 8.190 nan 0.000 0.430 241 T N 2.684 117.102 114.554 -0.228 0.000 2.924 241 T HA 0.867 5.303 4.350 0.143 0.000 0.291 241 T C -0.588 174.077 174.700 -0.058 0.000 1.045 241 T CA -0.740 61.259 62.100 -0.169 0.000 1.015 241 T CB 2.081 70.888 68.868 -0.102 0.000 1.103 241 T HN 0.605 nan 8.240 nan 0.000 0.496 242 I N -0.820 119.763 120.570 0.022 0.000 2.603 242 I HA 0.604 4.860 4.170 0.143 0.000 0.300 242 I C -0.053 176.071 176.117 0.012 0.000 1.017 242 I CA -1.518 59.808 61.300 0.043 0.000 1.098 242 I CB 1.763 39.824 38.000 0.101 0.000 1.279 242 I HN 0.536 nan 8.210 nan 0.000 0.437 243 M N 3.087 122.655 119.600 -0.054 0.000 2.247 243 M HA 0.340 4.906 4.480 0.143 0.000 0.326 243 M C 1.503 177.570 176.300 -0.389 0.000 1.134 243 M CA -0.212 54.983 55.300 -0.175 0.000 1.136 243 M CB 1.383 33.874 32.600 -0.182 0.000 1.454 243 M HN 0.960 nan 8.290 nan 0.000 0.467 244 A N 1.759 124.147 122.820 -0.720 0.000 1.896 244 A HA -0.195 4.211 4.320 0.143 0.000 0.220 244 A C 2.021 179.149 177.584 -0.760 0.000 1.206 244 A CA 2.586 54.045 52.037 -0.962 0.000 0.647 244 A CB -1.115 16.670 19.000 -2.024 0.000 0.828 244 A HN 0.955 nan 8.150 nan 0.000 0.455 245 A N -1.345 121.042 122.820 -0.721 0.000 2.235 245 A HA 0.460 4.866 4.320 0.143 0.000 0.208 245 A C 1.762 178.973 177.584 -0.623 0.000 1.172 245 A CA 1.244 52.909 52.037 -0.621 0.000 0.786 245 A CB -0.556 18.135 19.000 -0.514 0.000 0.804 245 A HN 1.159 nan 8.150 nan 0.000 0.479 246 A N -0.557 121.911 122.820 -0.586 0.000 2.465 246 A HA 0.328 4.734 4.320 0.143 0.000 0.255 246 A C 0.782 177.948 177.584 -0.698 0.000 1.274 246 A CA -0.220 51.376 52.037 -0.735 0.000 0.920 246 A CB -0.339 18.528 19.000 -0.222 0.000 1.033 246 A HN 0.352 nan 8.150 nan 0.000 0.516 247 K N 0.377 120.443 120.400 -0.557 0.000 2.436 247 K HA 0.318 4.724 4.320 0.143 0.000 0.282 247 K C 1.193 177.599 176.600 -0.325 0.000 1.044 247 K CA 1.231 57.321 56.287 -0.328 0.000 1.028 247 K CB -0.185 32.163 32.500 -0.254 0.000 0.919 247 K HN 0.764 nan 8.250 nan 0.000 0.474 248 G N 3.940 112.660 108.800 -0.133 0.000 2.194 248 G HA2 -0.217 3.829 3.960 0.143 0.000 0.236 248 G HA3 -0.217 3.829 3.960 0.143 0.000 0.236 248 G C 0.285 175.310 174.900 0.208 0.000 0.987 248 G CA -0.002 45.089 45.100 -0.015 0.000 0.635 248 G HN 0.571 nan 8.290 nan 0.000 0.520 249 F N -0.251 119.702 119.950 0.005 0.000 2.811 249 F HA 0.571 5.186 4.527 0.146 0.000 0.301 249 F C 0.753 176.626 175.800 0.121 0.000 1.151 249 F CA -0.771 57.250 58.000 0.035 0.000 1.412 249 F CB -0.289 38.728 39.000 0.029 0.000 1.113 249 F HN 0.164 nan 8.300 nan 0.000 0.579 250 F N 1.541 121.540 119.950 0.081 0.000 2.596 250 F HA 0.480 5.092 4.527 0.142 0.000 0.311 250 F C -2.608 173.101 175.800 -0.152 0.000 1.116 250 F CA -2.852 55.135 58.000 -0.020 0.000 0.957 250 F CB 1.652 40.665 39.000 0.022 0.000 1.250 250 F HN -0.322 nan 8.300 nan 0.000 0.444 251 P HA 0.116 nan 4.420 nan 0.000 0.271 251 P C -0.321 176.739 177.300 -0.399 0.000 1.233 251 P CA 0.244 63.088 63.100 -0.426 0.000 0.764 251 P CB 0.756 32.222 31.700 -0.388 0.000 0.825 252 E N 1.532 121.451 120.200 -0.468 0.000 2.478 252 E HA -0.143 4.293 4.350 0.143 0.000 0.198 252 E C 0.720 177.242 176.600 -0.131 0.000 1.046 252 E CA 0.568 56.573 56.400 -0.659 0.000 0.870 252 E CB -0.104 29.211 29.700 -0.643 0.000 0.818 252 E HN 0.523 nan 8.360 nan 0.000 0.527 253 D N 0.271 120.618 120.400 -0.087 0.000 2.178 253 D HA -0.104 4.622 4.640 0.143 0.000 0.202 253 D C 0.593 176.931 176.300 0.063 0.000 0.974 253 D CA 0.707 54.700 54.000 -0.012 0.000 0.841 253 D CB 0.006 40.774 40.800 -0.054 0.000 0.953 253 D HN 0.158 nan 8.370 nan 0.000 0.478 254 H N -1.051 118.019 119.070 0.000 0.000 2.897 254 H HA 0.196 4.838 4.556 0.143 0.000 0.347 254 H C 1.208 176.645 175.328 0.182 0.000 1.068 254 H CA 0.222 56.317 56.048 0.078 0.000 1.426 254 H CB 1.155 30.983 29.762 0.112 0.000 1.410 254 H HN 0.026 nan 8.280 nan 0.000 0.597 255 A N 3.392 126.191 122.820 -0.035 0.000 2.024 255 A HA -0.120 4.286 4.320 0.143 0.000 0.220 255 A C 2.256 180.001 177.584 0.269 0.000 1.164 255 A CA 1.585 53.672 52.037 0.083 0.000 0.643 255 A CB -0.733 18.244 19.000 -0.039 0.000 0.806 255 A HN 0.848 nan 8.150 nan 0.000 0.451 256 G N -2.259 106.891 108.800 0.583 0.000 3.042 256 G HA2 0.265 4.311 3.960 0.143 0.000 0.212 256 G HA3 0.265 4.311 3.960 0.143 0.000 0.212 256 G C 0.291 175.391 174.900 0.332 0.000 1.166 256 G CA -0.345 45.007 45.100 0.420 0.000 0.767 256 G HN 0.397 nan 8.290 nan 0.000 0.546 257 F N 1.660 121.801 119.950 0.319 0.000 2.543 257 F HA 0.358 4.971 4.527 0.143 0.000 0.375 257 F C 1.205 177.074 175.800 0.114 0.000 1.075 257 F CA -0.365 57.761 58.000 0.211 0.000 1.225 257 F CB 0.888 40.078 39.000 0.318 0.000 1.099 257 F HN -0.141 nan 8.300 nan 0.000 0.561 258 R N 4.036 124.144 120.500 -0.653 0.000 2.509 258 R HA 0.344 4.770 4.340 0.143 0.000 0.297 258 R C 0.634 176.569 176.300 -0.608 0.000 0.951 258 R CA 0.363 56.185 56.100 -0.463 0.000 1.103 258 R CB 0.277 30.445 30.300 -0.220 0.000 1.283 258 R HN 1.005 nan 8.270 nan 0.000 0.534 259 G N 1.168 109.233 108.800 -1.225 0.000 2.416 259 G HA2 -0.221 3.825 3.960 0.143 0.000 0.203 259 G HA3 -0.221 3.825 3.960 0.143 0.000 0.203 259 G C -1.476 173.272 174.900 -0.252 0.000 1.227 259 G CA -0.447 44.241 45.100 -0.687 0.000 1.041 259 G HN 0.123 nan 8.290 nan 0.000 0.546 260 L N 0.661 121.865 121.223 -0.031 0.000 2.275 260 L HA 0.779 5.205 4.340 0.143 0.000 0.288 260 L C -0.315 176.644 176.870 0.148 0.000 1.046 260 L CA -1.038 53.843 54.840 0.069 0.000 0.805 260 L CB 0.928 43.049 42.059 0.104 0.000 1.193 260 L HN 0.821 nan 8.230 nan 0.000 0.426 261 Y N 5.917 126.242 120.300 0.042 0.000 2.353 261 Y HA 0.447 5.083 4.550 0.143 0.000 0.340 261 Y C -1.137 174.893 175.900 0.216 0.000 0.972 261 Y CA -0.266 57.898 58.100 0.107 0.000 1.157 261 Y CB 0.851 39.357 38.460 0.076 0.000 1.157 261 Y HN 0.781 nan 8.280 nan 0.000 0.495 262 W N 7.839 128.839 121.300 -0.499 0.000 1.169 262 W HA 0.402 5.149 4.660 0.145 0.000 0.318 262 W C 0.204 176.531 176.519 -0.320 0.000 0.906 262 W CA -0.537 56.571 57.345 -0.395 0.000 1.379 262 W CB 0.497 29.860 29.460 -0.161 0.000 1.491 262 W HN 0.987 nan 8.180 nan 0.000 0.459 263 G N 2.529 111.120 108.800 -0.348 0.000 2.651 263 G HA2 -0.433 3.613 3.960 0.143 0.000 0.315 263 G HA3 -0.433 3.613 3.960 0.143 0.000 0.315 263 G C 1.093 175.968 174.900 -0.042 0.000 1.258 263 G CA 1.267 46.288 45.100 -0.132 0.000 1.002 263 G HN 0.587 nan 8.290 nan 0.000 0.551 264 E N 0.448 120.625 120.200 -0.039 0.000 2.482 264 E HA 0.151 4.587 4.350 0.143 0.000 0.196 264 E C 1.994 178.576 176.600 -0.030 0.000 1.047 264 E CA 1.387 57.774 56.400 -0.021 0.000 0.869 264 E CB -0.064 29.618 29.700 -0.030 0.000 0.836 264 E HN 1.212 nan 8.360 nan 0.000 0.520 265 V N -1.536 118.341 119.914 -0.062 0.000 3.342 265 V HA 0.229 4.435 4.120 0.143 0.000 0.322 265 V C 0.416 176.545 176.094 0.059 0.000 1.370 265 V CA -0.720 61.556 62.300 -0.040 0.000 1.170 265 V CB -0.022 31.715 31.823 -0.143 0.000 1.101 265 V HN 0.006 nan 8.190 nan 0.000 0.442 266 S N 2.428 118.173 115.700 0.075 0.000 2.580 266 S HA 0.186 4.742 4.470 0.143 0.000 0.266 266 S C 0.380 175.037 174.600 0.096 0.000 1.354 266 S CA -0.153 58.118 58.200 0.119 0.000 1.008 266 S CB 0.011 63.296 63.200 0.142 0.000 0.898 266 S HN 0.696 nan 8.310 nan 0.000 0.555 267 N N 2.728 121.483 118.700 0.091 0.000 2.441 267 N HA 0.156 4.982 4.740 0.143 0.000 0.251 267 N C -2.530 173.012 175.510 0.053 0.000 1.242 267 N CA -1.204 51.883 53.050 0.061 0.000 0.898 267 N CB -0.383 38.126 38.487 0.037 0.000 1.100 267 N HN 0.319 nan 8.380 nan 0.000 0.443 268 P HA -0.029 nan 4.420 nan 0.000 0.261 268 P C 0.937 178.256 177.300 0.033 0.000 1.173 268 P CA 0.689 63.810 63.100 0.036 0.000 0.760 268 P CB 0.239 31.956 31.700 0.028 0.000 0.783 269 G N 1.750 110.573 108.800 0.038 0.000 2.320 269 G HA2 -0.344 3.702 3.960 0.143 0.000 0.242 269 G HA3 -0.344 3.702 3.960 0.143 0.000 0.242 269 G C 0.991 175.916 174.900 0.041 0.000 1.033 269 G CA 0.266 45.385 45.100 0.033 0.000 0.620 269 G HN 0.398 nan 8.290 nan 0.000 0.517 270 V N 1.127 121.075 119.914 0.056 0.000 2.358 270 V HA -0.201 4.005 4.120 0.143 0.000 0.246 270 V C 2.672 178.850 176.094 0.140 0.000 1.047 270 V CA 2.994 65.338 62.300 0.073 0.000 1.035 270 V CB -0.494 31.379 31.823 0.085 0.000 0.658 270 V HN 0.638 nan 8.190 nan 0.000 0.452 271 Q N 0.021 119.944 119.800 0.205 0.000 2.045 271 Q HA -0.289 4.137 4.340 0.143 0.000 0.206 271 Q C 2.411 178.499 176.000 0.146 0.000 0.991 271 Q CA 2.313 58.286 55.803 0.283 0.000 0.851 271 Q CB -0.235 28.637 28.738 0.224 0.000 0.911 271 Q HN 0.662 nan 8.270 nan 0.000 0.418 272 E N 0.103 120.355 120.200 0.087 0.000 2.085 272 E HA -0.207 4.229 4.350 0.143 0.000 0.194 272 E C 2.135 178.743 176.600 0.013 0.000 0.994 272 E CA 1.003 57.431 56.400 0.046 0.000 0.801 272 E CB -0.171 29.550 29.700 0.035 0.000 0.743 272 E HN 0.459 nan 8.360 nan 0.000 0.453 273 L N 0.424 121.649 121.223 0.004 0.000 1.990 273 L HA -0.225 4.202 4.340 0.143 0.000 0.213 273 L C 2.763 179.592 176.870 -0.068 0.000 1.072 273 L CA 1.972 56.794 54.840 -0.029 0.000 0.755 273 L CB -0.469 41.570 42.059 -0.034 0.000 0.889 273 L HN 0.197 nan 8.230 nan 0.000 0.432 274 V N -2.843 116.995 119.914 -0.127 0.000 2.500 274 V HA -0.142 4.064 4.120 0.143 0.000 0.243 274 V C 2.086 178.073 176.094 -0.178 0.000 1.039 274 V CA 1.401 63.562 62.300 -0.231 0.000 1.053 274 V CB -0.183 31.328 31.823 -0.520 0.000 0.695 274 V HN 0.374 nan 8.190 nan 0.000 0.463 275 E N 0.198 120.327 120.200 -0.119 0.000 2.204 275 E HA -0.159 4.278 4.350 0.143 0.000 0.195 275 E C 1.973 178.560 176.600 -0.022 0.000 0.990 275 E CA 1.739 58.120 56.400 -0.031 0.000 0.821 275 E CB -0.127 29.607 29.700 0.057 0.000 0.750 275 E HN 0.668 nan 8.360 nan 0.000 0.477 276 T N -1.099 113.440 114.554 -0.025 0.000 3.054 276 T HA 0.132 4.568 4.350 0.143 0.000 0.255 276 T C 0.272 174.959 174.700 -0.022 0.000 1.035 276 T CA -0.004 62.087 62.100 -0.015 0.000 0.941 276 T CB 0.142 69.008 68.868 -0.004 0.000 1.026 276 T HN 0.021 nan 8.240 nan 0.000 0.533 277 S N 1.392 117.071 115.700 -0.036 0.000 2.552 277 S HA -0.019 4.537 4.470 0.143 0.000 0.289 277 S C 1.270 175.858 174.600 -0.020 0.000 1.304 277 S CA -0.293 57.888 58.200 -0.032 0.000 1.063 277 S CB 0.473 63.646 63.200 -0.045 0.000 0.848 277 S HN 0.322 nan 8.310 nan 0.000 0.499 278 D N 3.091 123.483 120.400 -0.013 0.000 2.149 278 D HA -0.018 4.708 4.640 0.143 0.000 0.198 278 D C 0.352 176.651 176.300 -0.003 0.000 0.990 278 D CA 1.550 55.546 54.000 -0.007 0.000 0.839 278 D CB 0.007 40.805 40.800 -0.004 0.000 0.948 278 D HN 0.680 nan 8.370 nan 0.000 0.460 279 A N 0.134 122.952 122.820 -0.003 0.000 2.768 279 A HA 0.387 4.793 4.320 0.143 0.000 0.298 279 A C -1.297 176.290 177.584 0.005 0.000 1.159 279 A CA -0.618 51.424 52.037 0.007 0.000 0.783 279 A CB 0.349 19.358 19.000 0.014 0.000 1.333 279 A HN 0.095 nan 8.150 nan 0.000 0.412 280 L N 2.974 124.200 121.223 0.005 0.000 2.342 280 L HA 0.408 4.834 4.340 0.143 0.000 0.285 280 L C -0.261 176.630 176.870 0.034 0.000 1.095 280 L CA -0.152 54.689 54.840 0.002 0.000 0.843 280 L CB 0.550 42.601 42.059 -0.013 0.000 1.201 280 L HN 0.648 nan 8.230 nan 0.000 0.445 281 L N 6.124 127.367 121.223 0.032 0.000 2.385 281 L HA 0.182 4.608 4.340 0.143 0.000 0.285 281 L C -0.468 176.441 176.870 0.065 0.000 1.125 281 L CA -0.197 54.680 54.840 0.062 0.000 0.890 281 L CB 0.273 42.364 42.059 0.053 0.000 1.251 281 L HN 0.746 nan 8.230 nan 0.000 0.445 282 C N 6.746 126.105 119.300 0.099 0.000 2.223 282 C HA 0.480 5.027 4.460 0.143 0.000 0.324 282 C C 0.207 175.259 174.990 0.104 0.000 1.196 282 C CA -0.751 58.340 59.018 0.120 0.000 1.628 282 C CB -0.879 26.987 27.740 0.209 0.000 2.229 282 C HN 0.620 nan 8.230 nan 0.000 0.486 283 I N 6.268 126.879 120.570 0.069 0.000 2.355 283 I HA 0.430 4.686 4.170 0.143 0.000 0.288 283 I C 1.000 177.134 176.117 0.027 0.000 0.999 283 I CA -0.046 61.293 61.300 0.064 0.000 1.163 283 I CB 1.269 39.314 38.000 0.076 0.000 1.316 283 I HN 0.856 nan 8.210 nan 0.000 0.454 284 A N 5.822 128.650 122.820 0.013 0.000 2.791 284 A HA -0.117 4.289 4.320 0.143 0.000 0.292 284 A C -2.393 175.142 177.584 -0.081 0.000 1.487 284 A CA -0.221 51.804 52.037 -0.019 0.000 0.760 284 A CB -1.973 17.027 19.000 0.000 0.000 1.031 284 A HN 0.485 nan 8.150 nan 0.000 0.503 285 P HA 0.476 nan 4.420 nan 0.000 0.276 285 P C -0.335 176.717 177.300 -0.414 0.000 1.244 285 P CA -0.163 62.689 63.100 -0.413 0.000 0.801 285 P CB 1.516 32.738 31.700 -0.796 0.000 1.006 286 V N 3.003 122.644 119.914 -0.455 0.000 2.325 286 V HA 0.248 4.455 4.120 0.143 0.000 0.280 286 V C -0.392 175.503 176.094 -0.333 0.000 1.016 286 V CA -0.320 61.801 62.300 -0.297 0.000 0.818 286 V CB 0.105 31.832 31.823 -0.161 0.000 1.019 286 V HN 0.303 nan 8.190 nan 0.000 0.434 287 F N 5.355 125.282 119.950 -0.038 0.000 2.368 287 F HA 0.494 5.107 4.527 0.144 0.000 0.362 287 F C 0.664 176.351 175.800 -0.188 0.000 1.137 287 F CA -0.748 57.152 58.000 -0.167 0.000 1.161 287 F CB 0.491 39.300 39.000 -0.318 0.000 1.265 287 F HN 0.692 nan 8.300 nan 0.000 0.530 288 N N 0.166 118.843 118.700 -0.038 0.000 3.091 288 N HA 0.245 5.072 4.740 0.143 0.000 0.329 288 N C 0.474 175.636 175.510 -0.579 0.000 1.430 288 N CA -0.748 52.224 53.050 -0.130 0.000 0.755 288 N CB 0.312 38.758 38.487 -0.069 0.000 1.626 288 N HN 0.239 nan 8.380 nan 0.000 0.614 289 D N -1.470 118.497 120.400 -0.721 0.000 2.219 289 D HA -0.190 4.536 4.640 0.143 0.000 0.205 289 D C 0.862 176.993 176.300 -0.282 0.000 0.970 289 D CA 1.362 54.753 54.000 -1.015 0.000 0.851 289 D CB -0.330 40.128 40.800 -0.571 0.000 0.943 289 D HN 0.434 nan 8.370 nan 0.000 0.488 290 Y N 1.806 122.027 120.300 -0.132 0.000 2.231 290 Y HA -0.046 4.590 4.550 0.143 0.000 0.294 290 Y C 3.022 179.178 175.900 0.426 0.000 1.120 290 Y CA 0.735 58.999 58.100 0.273 0.000 1.141 290 Y CB -0.869 37.807 38.460 0.361 0.000 1.022 290 Y HN 0.125 nan 8.280 nan 0.000 0.523 291 S N -0.970 114.910 115.700 0.299 0.000 2.402 291 S HA -0.126 4.431 4.470 0.143 0.000 0.229 291 S C 1.768 176.539 174.600 0.286 0.000 1.021 291 S CA 1.439 59.752 58.200 0.188 0.000 0.974 291 S CB -1.188 61.979 63.200 -0.054 0.000 0.800 291 S HN 0.508 nan 8.310 nan 0.000 0.484 292 T N -0.716 113.905 114.554 0.111 0.000 3.129 292 T HA 0.312 4.748 4.350 0.143 0.000 0.251 292 T C 0.501 175.228 174.700 0.044 0.000 1.117 292 T CA 0.137 62.292 62.100 0.091 0.000 1.034 292 T CB -0.777 68.066 68.868 -0.041 0.000 0.968 292 T HN 0.623 nan 8.240 nan 0.000 0.526 293 V N 1.127 121.083 119.914 0.071 0.000 6.029 293 V HA -0.094 4.112 4.120 0.143 0.000 0.242 293 V C 1.411 177.382 176.094 -0.206 0.000 0.637 293 V CA 0.536 62.793 62.300 -0.071 0.000 0.603 293 V CB -2.753 29.032 31.823 -0.062 0.000 0.423 293 V HN 1.238 nan 8.190 nan 0.000 0.520 294 G N 1.410 109.986 108.800 -0.373 0.000 2.273 294 G HA2 -0.285 3.761 3.960 0.143 0.000 0.280 294 G HA3 -0.285 3.761 3.960 0.143 0.000 0.280 294 G C 0.278 175.055 174.900 -0.204 0.000 1.047 294 G CA 0.770 45.630 45.100 -0.401 0.000 0.869 294 G HN 2.143 nan 8.290 nan 0.000 0.502 295 W N -2.609 118.735 121.300 0.072 0.000 2.560 295 W HA -0.327 4.418 4.660 0.143 0.000 0.279 295 W C 1.833 178.458 176.519 0.177 0.000 1.090 295 W CA 1.002 58.435 57.345 0.146 0.000 0.535 295 W CB -2.106 27.449 29.460 0.158 0.000 2.121 295 W HN 1.105 nan 8.180 nan 0.000 1.314 296 S N -0.827 115.012 115.700 0.231 0.000 2.486 296 S HA 0.528 5.084 4.470 0.143 0.000 0.220 296 S C 0.912 175.631 174.600 0.197 0.000 1.011 296 S CA 0.352 58.660 58.200 0.181 0.000 0.921 296 S CB 0.581 63.834 63.200 0.087 0.000 0.785 296 S HN 0.709 nan 8.310 nan 0.000 0.517 297 A N 0.958 123.914 122.820 0.226 0.000 2.978 297 A HA 0.557 4.963 4.320 0.143 0.000 0.341 297 A C -1.220 176.596 177.584 0.387 0.000 1.105 297 A CA -0.446 51.753 52.037 0.271 0.000 0.819 297 A CB -0.177 18.904 19.000 0.135 0.000 1.080 297 A HN 0.513 nan 8.150 nan 0.000 0.476 298 W N 4.329 125.684 121.300 0.092 0.000 2.533 298 W HA 0.545 5.290 4.660 0.142 0.000 0.291 298 W C -3.148 173.257 176.519 -0.189 0.000 1.013 298 W CA -3.052 54.219 57.345 -0.124 0.000 1.436 298 W CB 1.142 30.580 29.460 -0.036 0.000 1.291 298 W HN 0.334 nan 8.180 nan 0.000 0.396 299 P HA 0.314 nan 4.420 nan 0.000 0.276 299 P C -0.795 176.364 177.300 -0.235 0.000 1.243 299 P CA 0.330 63.378 63.100 -0.086 0.000 0.768 299 P CB 0.971 32.678 31.700 0.012 0.000 0.856 300 K N 1.027 121.271 120.400 -0.261 0.000 2.556 300 K HA 0.801 5.207 4.320 0.143 0.000 0.289 300 K C -0.290 176.207 176.600 -0.172 0.000 1.040 300 K CA -0.941 55.191 56.287 -0.259 0.000 0.894 300 K CB 0.908 33.109 32.500 -0.499 0.000 1.547 300 K HN 0.588 nan 8.250 nan 0.000 0.417 301 G N -0.119 108.600 108.800 -0.134 0.000 2.526 301 G HA2 -0.123 3.923 3.960 0.143 0.000 0.250 301 G HA3 -0.123 3.923 3.960 0.143 0.000 0.250 301 G C -2.058 172.814 174.900 -0.046 0.000 1.289 301 G CA -0.352 44.692 45.100 -0.093 0.000 0.947 301 G HN 0.488 nan 8.290 nan 0.000 0.517 302 P HA -0.067 nan 4.420 nan 0.000 0.218 302 P C 1.162 178.462 177.300 -0.000 0.000 1.148 302 P CA 1.446 64.539 63.100 -0.012 0.000 0.822 302 P CB -0.105 31.587 31.700 -0.013 0.000 0.784 303 N N -0.404 118.291 118.700 -0.009 0.000 2.461 303 N HA 0.034 4.860 4.740 0.143 0.000 0.188 303 N C 0.096 175.611 175.510 0.008 0.000 1.134 303 N CA 0.298 53.347 53.050 -0.001 0.000 0.878 303 N CB 0.217 38.697 38.487 -0.011 0.000 0.972 303 N HN 0.105 nan 8.380 nan 0.000 0.456 304 V N 1.804 121.726 119.914 0.013 0.000 2.398 304 V HA 0.366 4.572 4.120 0.143 0.000 0.286 304 V C 0.229 176.359 176.094 0.061 0.000 1.026 304 V CA -0.725 61.596 62.300 0.035 0.000 0.868 304 V CB 1.928 33.770 31.823 0.032 0.000 0.982 304 V HN -0.051 nan 8.190 nan 0.000 0.443 305 I N 5.850 126.467 120.570 0.079 0.000 2.287 305 I HA 0.251 4.507 4.170 0.143 0.000 0.290 305 I C -0.363 175.820 176.117 0.109 0.000 1.069 305 I CA -0.334 61.026 61.300 0.100 0.000 1.237 305 I CB 1.071 39.144 38.000 0.122 0.000 1.418 305 I HN 0.378 nan 8.210 nan 0.000 0.481 306 L N 7.548 128.831 121.223 0.101 0.000 2.268 306 L HA 0.553 4.979 4.340 0.143 0.000 0.289 306 L C 0.253 177.155 176.870 0.053 0.000 1.064 306 L CA -0.060 54.847 54.840 0.112 0.000 0.824 306 L CB 0.509 42.647 42.059 0.132 0.000 1.202 306 L HN 0.640 nan 8.230 nan 0.000 0.433 307 A N 5.614 128.465 122.820 0.050 0.000 2.316 307 A HA 0.612 5.018 4.320 0.143 0.000 0.324 307 A C -0.085 177.499 177.584 0.001 0.000 1.375 307 A CA -0.603 51.425 52.037 -0.016 0.000 0.882 307 A CB 0.111 19.150 19.000 0.066 0.000 1.152 307 A HN 0.759 nan 8.150 nan 0.000 0.512 308 E N 2.641 122.819 120.200 -0.037 0.000 2.254 308 E HA 0.285 4.722 4.350 0.143 0.000 0.258 308 E C -1.782 174.791 176.600 -0.045 0.000 1.033 308 E CA -2.009 54.373 56.400 -0.030 0.000 0.893 308 E CB 0.799 30.482 29.700 -0.028 0.000 1.204 308 E HN 0.290 nan 8.360 nan 0.000 0.425 309 P HA -0.141 nan 4.420 nan 0.000 0.226 309 P C 0.162 177.421 177.300 -0.069 0.000 1.146 309 P CA 1.417 64.494 63.100 -0.038 0.000 0.773 309 P CB 0.265 31.938 31.700 -0.046 0.000 0.772 310 D N -2.393 117.930 120.400 -0.129 0.000 2.399 310 D HA 0.096 4.822 4.640 0.143 0.000 0.269 310 D C 0.519 176.590 176.300 -0.382 0.000 1.105 310 D CA 0.180 54.059 54.000 -0.200 0.000 0.844 310 D CB 0.973 41.689 40.800 -0.140 0.000 1.372 310 D HN 0.125 nan 8.370 nan 0.000 0.517 311 R N -1.155 119.133 120.500 -0.352 0.000 2.690 311 R HA 0.624 5.050 4.340 0.143 0.000 0.269 311 R C -1.989 174.158 176.300 -0.256 0.000 1.037 311 R CA -0.786 55.079 56.100 -0.392 0.000 0.877 311 R CB 1.106 31.272 30.300 -0.222 0.000 1.255 311 R HN -0.207 nan 8.270 nan 0.000 0.467 312 V N 1.132 120.950 119.914 -0.160 0.000 2.638 312 V HA 0.489 4.695 4.120 0.143 0.000 0.306 312 V C -0.724 175.423 176.094 0.089 0.000 1.052 312 V CA -0.616 61.621 62.300 -0.105 0.000 0.885 312 V CB 2.324 33.932 31.823 -0.358 0.000 0.999 312 V HN 0.889 nan 8.190 nan 0.000 0.424 313 T N 4.026 118.621 114.554 0.069 0.000 2.791 313 T HA 0.654 5.091 4.350 0.143 0.000 0.288 313 T C -0.784 173.993 174.700 0.128 0.000 0.999 313 T CA -0.490 61.673 62.100 0.105 0.000 0.952 313 T CB 1.499 70.399 68.868 0.053 0.000 0.938 313 T HN 0.587 nan 8.240 nan 0.000 0.444 314 V N 3.356 123.385 119.914 0.193 0.000 2.752 314 V HA 0.485 4.691 4.120 0.143 0.000 0.302 314 V C -0.890 175.305 176.094 0.168 0.000 1.133 314 V CA -0.567 61.834 62.300 0.169 0.000 0.919 314 V CB 1.700 33.627 31.823 0.172 0.000 1.026 314 V HN 0.936 nan 8.190 nan 0.000 0.429 315 D N 4.792 125.252 120.400 0.100 0.000 2.723 315 D HA -0.103 4.623 4.640 0.143 0.000 0.236 315 D C 0.982 177.319 176.300 0.062 0.000 1.138 315 D CA 2.198 56.244 54.000 0.077 0.000 0.676 315 D CB -1.185 39.669 40.800 0.091 0.000 1.069 315 D HN 2.258 nan 8.370 nan 0.000 0.430 316 G N -0.362 108.461 108.800 0.039 0.000 2.143 316 G HA2 -0.330 3.717 3.960 0.143 0.000 0.248 316 G HA3 -0.330 3.717 3.960 0.143 0.000 0.248 316 G C 0.312 175.198 174.900 -0.022 0.000 0.991 316 G CA 0.445 45.548 45.100 0.006 0.000 0.689 316 G HN 0.637 nan 8.290 nan 0.000 0.522 317 R N -0.495 119.990 120.500 -0.025 0.000 2.673 317 R HA 0.704 5.130 4.340 0.143 0.000 0.281 317 R C -0.279 175.875 176.300 -0.243 0.000 0.991 317 R CA -0.120 55.866 56.100 -0.190 0.000 0.896 317 R CB 1.972 32.081 30.300 -0.318 0.000 1.201 317 R HN 0.577 nan 8.270 nan 0.000 0.457 318 A N 2.707 125.329 122.820 -0.329 0.000 2.304 318 A HA 0.612 5.018 4.320 0.143 0.000 0.323 318 A C -1.416 175.943 177.584 -0.374 0.000 1.195 318 A CA -0.407 51.497 52.037 -0.220 0.000 0.826 318 A CB 0.462 19.390 19.000 -0.120 0.000 1.184 318 A HN 0.628 nan 8.150 nan 0.000 0.496 319 Y N 2.145 122.445 120.300 -0.001 0.000 2.328 319 Y HA 0.467 5.102 4.550 0.141 0.000 0.336 319 Y C 0.172 176.000 175.900 -0.120 0.000 0.960 319 Y CA -0.886 57.245 58.100 0.052 0.000 1.134 319 Y CB 1.706 40.297 38.460 0.218 0.000 1.166 319 Y HN 0.810 nan 8.280 nan 0.000 0.464 320 D N 0.593 120.968 120.400 -0.042 0.000 2.497 320 D HA 0.548 5.274 4.640 0.143 0.000 0.243 320 D C 0.702 176.835 176.300 -0.277 0.000 1.039 320 D CA -0.552 53.273 54.000 -0.292 0.000 1.052 320 D CB 2.007 42.702 40.800 -0.175 0.000 1.344 320 D HN 0.722 nan 8.370 nan 0.000 0.553 321 G N -0.291 108.309 108.800 -0.334 0.000 2.130 321 G HA2 -0.020 4.026 3.960 0.143 0.000 0.216 321 G HA3 -0.020 4.026 3.960 0.143 0.000 0.216 321 G C -0.272 174.609 174.900 -0.031 0.000 0.999 321 G CA 0.316 45.340 45.100 -0.127 0.000 0.686 321 G HN 0.775 nan 8.290 nan 0.000 0.515 322 F N -1.202 118.735 119.950 -0.021 0.000 2.662 322 F HA 0.835 5.442 4.527 0.133 0.000 0.312 322 F C 0.131 175.923 175.800 -0.014 0.000 1.113 322 F CA -1.048 56.934 58.000 -0.028 0.000 0.951 322 F CB 0.521 39.506 39.000 -0.024 0.000 1.344 322 F HN 0.398 nan 8.300 nan 0.000 0.462 323 T N -0.177 114.527 114.554 0.250 0.000 2.904 323 T HA 0.302 4.738 4.350 0.143 0.000 0.290 323 T C 0.780 175.654 174.700 0.290 0.000 1.018 323 T CA -0.520 61.676 62.100 0.159 0.000 1.075 323 T CB 1.479 70.406 68.868 0.099 0.000 0.986 323 T HN 0.903 nan 8.240 nan 0.000 0.523 324 L N 1.146 122.477 121.223 0.179 0.000 2.042 324 L HA -0.025 4.401 4.340 0.143 0.000 0.210 324 L C 2.815 179.830 176.870 0.242 0.000 1.076 324 L CA 1.688 56.665 54.840 0.229 0.000 0.749 324 L CB -0.765 41.364 42.059 0.117 0.000 0.893 324 L HN 0.804 nan 8.230 nan 0.000 0.432 325 R N -0.317 120.267 120.500 0.141 0.000 2.083 325 R HA -0.185 4.241 4.340 0.143 0.000 0.237 325 R C 2.065 178.421 176.300 0.093 0.000 1.137 325 R CA 1.656 57.812 56.100 0.093 0.000 0.951 325 R CB -0.534 29.795 30.300 0.048 0.000 0.851 325 R HN 0.533 nan 8.270 nan 0.000 0.434 326 A N 0.211 123.101 122.820 0.117 0.000 1.930 326 A HA -0.176 4.230 4.320 0.143 0.000 0.217 326 A C 1.991 179.600 177.584 0.042 0.000 1.175 326 A CA 1.166 53.246 52.037 0.070 0.000 0.627 326 A CB -0.712 18.331 19.000 0.071 0.000 0.815 326 A HN 0.493 nan 8.150 nan 0.000 0.443 327 F N 0.649 120.581 119.950 -0.031 0.000 2.102 327 F HA -0.112 4.497 4.527 0.136 0.000 0.298 327 F C 1.858 177.621 175.800 -0.062 0.000 1.105 327 F CA 1.712 59.643 58.000 -0.115 0.000 1.239 327 F CB -0.287 38.736 39.000 0.038 0.000 0.991 327 F HN 0.133 nan 8.300 nan 0.000 0.474 328 L N -0.252 120.946 121.223 -0.041 0.000 2.093 328 L HA -0.208 4.218 4.340 0.143 0.000 0.208 328 L C 2.527 179.305 176.870 -0.153 0.000 1.085 328 L CA 1.350 56.108 54.840 -0.136 0.000 0.755 328 L CB -0.843 41.237 42.059 0.035 0.000 0.904 328 L HN 0.221 nan 8.230 nan 0.000 0.435 329 Q N -0.221 119.524 119.800 -0.092 0.000 2.020 329 Q HA -0.197 4.229 4.340 0.143 0.000 0.202 329 Q C 2.432 178.357 176.000 -0.125 0.000 0.982 329 Q CA 1.969 57.724 55.803 -0.080 0.000 0.838 329 Q CB -0.243 28.471 28.738 -0.040 0.000 0.899 329 Q HN 0.546 nan 8.270 nan 0.000 0.423 330 A N 0.275 122.994 122.820 -0.169 0.000 1.933 330 A HA -0.165 4.241 4.320 0.143 0.000 0.218 330 A C 1.973 179.409 177.584 -0.246 0.000 1.175 330 A CA 1.124 53.048 52.037 -0.187 0.000 0.628 330 A CB -0.594 18.287 19.000 -0.200 0.000 0.814 330 A HN 0.387 nan 8.150 nan 0.000 0.444 331 L N -0.291 120.699 121.223 -0.389 0.000 2.093 331 L HA -0.006 4.420 4.340 0.143 0.000 0.208 331 L C 2.607 179.343 176.870 -0.222 0.000 1.085 331 L CA 1.980 56.583 54.840 -0.395 0.000 0.755 331 L CB -0.661 41.009 42.059 -0.647 0.000 0.904 331 L HN 0.326 nan 8.230 nan 0.000 0.435 332 A N -0.815 121.901 122.820 -0.174 0.000 2.019 332 A HA -0.160 4.247 4.320 0.143 0.000 0.219 332 A C 2.073 179.611 177.584 -0.076 0.000 1.164 332 A CA 1.527 53.506 52.037 -0.098 0.000 0.644 332 A CB -0.478 18.483 19.000 -0.066 0.000 0.805 332 A HN 0.589 nan 8.150 nan 0.000 0.449 333 E N 0.064 120.211 120.200 -0.087 0.000 2.106 333 E HA -0.139 4.297 4.350 0.143 0.000 0.192 333 E C 1.315 177.877 176.600 -0.063 0.000 0.984 333 E CA 0.986 57.346 56.400 -0.065 0.000 0.806 333 E CB -0.155 29.505 29.700 -0.066 0.000 0.750 333 E HN 0.481 nan 8.360 nan 0.000 0.458 334 K N 0.124 120.475 120.400 -0.082 0.000 2.370 334 K HA 0.242 4.648 4.320 0.143 0.000 0.194 334 K C 0.781 177.343 176.600 -0.063 0.000 1.070 334 K CA 0.099 56.343 56.287 -0.071 0.000 0.998 334 K CB 0.563 33.012 32.500 -0.085 0.000 0.911 334 K HN -0.032 nan 8.250 nan 0.000 0.533 335 A N 4.532 127.309 122.820 -0.073 0.000 2.531 335 A HA 0.177 4.583 4.320 0.143 0.000 0.236 335 A C -2.051 175.513 177.584 -0.033 0.000 1.062 335 A CA -0.623 51.380 52.037 -0.056 0.000 0.760 335 A CB -0.374 18.588 19.000 -0.062 0.000 0.995 335 A HN -0.007 nan 8.150 nan 0.000 0.501 336 P HA 0.429 nan 4.420 nan 0.000 0.278 336 P C -0.595 176.702 177.300 -0.006 0.000 1.266 336 P CA -0.333 62.759 63.100 -0.013 0.000 0.807 336 P CB 1.003 32.697 31.700 -0.010 0.000 1.094 337 A N 1.688 124.507 122.820 -0.001 0.000 2.309 337 A HA 0.462 4.868 4.320 0.143 0.000 0.290 337 A C 0.108 177.696 177.584 0.007 0.000 1.206 337 A CA -0.207 51.834 52.037 0.007 0.000 0.850 337 A CB -0.435 18.570 19.000 0.009 0.000 1.118 337 A HN 0.368 nan 8.150 nan 0.000 0.523 338 R N 3.193 123.699 120.500 0.010 0.000 2.629 338 R HA 0.359 4.785 4.340 0.143 0.000 0.275 338 R C -2.440 173.868 176.300 0.013 0.000 1.719 338 R CA -1.527 54.578 56.100 0.008 0.000 1.472 338 R CB 1.285 31.587 30.300 0.004 0.000 1.237 338 R HN 0.490 nan 8.270 nan 0.000 0.589 339 P HA 0.071 nan 4.420 nan 0.000 0.251 339 P C 0.849 178.159 177.300 0.015 0.000 1.223 339 P CA 0.286 63.398 63.100 0.021 0.000 0.796 339 P CB 0.540 32.254 31.700 0.022 0.000 1.068 340 A N 1.115 123.940 122.820 0.009 0.000 1.940 340 A HA -0.263 4.143 4.320 0.143 0.000 0.221 340 A C 2.315 179.901 177.584 0.004 0.000 1.190 340 A CA 2.750 54.791 52.037 0.006 0.000 0.647 340 A CB -1.704 17.298 19.000 0.003 0.000 0.821 340 A HN 0.312 nan 8.150 nan 0.000 0.457 341 S N 0.278 115.978 115.700 0.000 0.000 2.382 341 S HA -0.012 4.544 4.470 0.143 0.000 0.228 341 S C 2.179 176.777 174.600 -0.003 0.000 1.027 341 S CA 1.301 59.497 58.200 -0.007 0.000 0.991 341 S CB -0.597 62.593 63.200 -0.017 0.000 0.823 341 S HN 0.885 nan 8.310 nan 0.000 0.469 342 A N 2.453 125.279 122.820 0.010 0.000 1.897 342 A HA -0.120 4.286 4.320 0.143 0.000 0.215 342 A C 2.281 179.878 177.584 0.021 0.000 1.181 342 A CA 1.202 53.252 52.037 0.022 0.000 0.620 342 A CB -0.640 18.387 19.000 0.046 0.000 0.821 342 A HN 0.695 nan 8.150 nan 0.000 0.443 343 Q N -1.266 118.545 119.800 0.019 0.000 2.435 343 Q HA 0.030 4.456 4.340 0.143 0.000 0.207 343 Q C 0.737 176.744 176.000 0.012 0.000 0.956 343 Q CA 1.128 56.941 55.803 0.017 0.000 0.917 343 Q CB -0.162 28.585 28.738 0.016 0.000 0.997 343 Q HN 0.323 nan 8.270 nan 0.000 0.497 344 K N 1.206 121.611 120.400 0.008 0.000 2.410 344 K HA 0.135 4.541 4.320 0.143 0.000 0.200 344 K C -0.498 176.105 176.600 0.004 0.000 1.023 344 K CA 0.061 56.351 56.287 0.006 0.000 1.149 344 K CB 1.056 33.557 32.500 0.003 0.000 0.859 344 K HN 0.365 nan 8.250 nan 0.000 0.514 345 S N -2.400 113.303 115.700 0.005 0.000 2.570 345 S HA 0.577 5.133 4.470 0.143 0.000 0.270 345 S C -0.564 174.040 174.600 0.006 0.000 1.149 345 S CA -1.007 57.193 58.200 0.001 0.000 0.837 345 S CB 1.794 64.988 63.200 -0.011 0.000 1.124 345 S HN -0.117 nan 8.310 nan 0.000 0.465 346 S N 0.798 116.501 115.700 0.006 0.000 2.617 346 S HA 0.559 5.115 4.470 0.143 0.000 0.283 346 S C 0.072 174.679 174.600 0.013 0.000 1.189 346 S CA -0.661 57.548 58.200 0.014 0.000 1.036 346 S CB 1.522 64.733 63.200 0.017 0.000 1.014 346 S HN 1.035 nan 8.310 nan 0.000 0.522 347 V N 4.968 124.903 119.914 0.035 0.000 2.617 347 V HA 0.180 4.386 4.120 0.143 0.000 0.304 347 V C -2.036 174.087 176.094 0.049 0.000 1.040 347 V CA -1.466 60.868 62.300 0.058 0.000 1.149 347 V CB 0.224 32.105 31.823 0.097 0.000 0.914 347 V HN 0.693 nan 8.190 nan 0.000 0.487 348 P HA 0.204 nan 4.420 nan 0.000 0.271 348 P C -0.507 176.842 177.300 0.081 0.000 1.216 348 P CA 0.182 63.304 63.100 0.037 0.000 0.771 348 P CB 1.019 32.720 31.700 0.003 0.000 0.864 349 T N 1.555 116.146 114.554 0.062 0.000 2.916 349 T HA 0.489 4.925 4.350 0.143 0.000 0.292 349 T C -1.394 173.341 174.700 0.058 0.000 1.064 349 T CA -0.516 61.621 62.100 0.062 0.000 1.011 349 T CB 0.944 69.841 68.868 0.047 0.000 1.152 349 T HN 0.541 nan 8.240 nan 0.000 0.510 350 C N 2.849 122.182 119.300 0.054 0.000 2.442 350 C HA 0.702 5.248 4.460 0.143 0.000 0.335 350 C C 0.172 175.185 174.990 0.038 0.000 1.134 350 C CA -0.568 58.480 59.018 0.050 0.000 1.344 350 C CB 0.136 27.912 27.740 0.059 0.000 1.956 350 C HN 0.897 nan 8.230 nan 0.000 0.438 351 S N 5.114 120.834 115.700 0.033 0.000 2.465 351 S HA 0.564 5.120 4.470 0.143 0.000 0.280 351 S C -0.540 174.075 174.600 0.025 0.000 1.232 351 S CA -0.036 58.180 58.200 0.026 0.000 1.066 351 S CB -0.090 63.124 63.200 0.022 0.000 0.929 351 S HN 0.666 nan 8.310 nan 0.000 0.494 352 L N 4.212 125.448 121.223 0.023 0.000 2.343 352 L HA 0.356 4.783 4.340 0.143 0.000 0.278 352 L C 0.531 177.414 176.870 0.020 0.000 0.996 352 L CA -0.643 54.210 54.840 0.022 0.000 0.831 352 L CB 1.935 44.008 42.059 0.023 0.000 1.232 352 L HN 0.487 nan 8.230 nan 0.000 0.413 353 T N 2.742 117.307 114.554 0.019 0.000 2.834 353 T HA 0.490 4.926 4.350 0.143 0.000 0.298 353 T C 0.181 174.895 174.700 0.023 0.000 0.966 353 T CA -0.372 61.738 62.100 0.018 0.000 1.141 353 T CB 0.521 69.397 68.868 0.014 0.000 0.905 353 T HN 0.640 nan 8.240 nan 0.000 0.535 354 A N 4.522 127.356 122.820 0.023 0.000 2.310 354 A HA 0.653 5.060 4.320 0.143 0.000 0.299 354 A C 0.600 178.201 177.584 0.028 0.000 1.147 354 A CA -0.583 51.471 52.037 0.029 0.000 0.818 354 A CB 1.233 20.247 19.000 0.025 0.000 1.096 354 A HN 0.874 nan 8.150 nan 0.000 0.495 355 T N -0.076 114.500 114.554 0.036 0.000 2.870 355 T HA 0.635 5.071 4.350 0.143 0.000 0.277 355 T C 0.628 175.347 174.700 0.032 0.000 1.000 355 T CA 0.208 62.326 62.100 0.030 0.000 0.982 355 T CB 0.852 69.736 68.868 0.027 0.000 1.249 355 T HN 1.318 nan 8.240 nan 0.000 0.589 356 S N 0.450 116.166 115.700 0.027 0.000 2.693 356 S HA 0.306 4.862 4.470 0.143 0.000 0.276 356 S C 0.761 175.381 174.600 0.034 0.000 1.192 356 S CA -0.409 57.807 58.200 0.028 0.000 0.994 356 S CB 0.760 63.972 63.200 0.020 0.000 1.012 356 S HN 0.675 nan 8.310 nan 0.000 0.550 357 D N 0.692 121.113 120.400 0.036 0.000 2.133 357 D HA -0.101 4.625 4.640 0.143 0.000 0.195 357 D C 1.454 177.771 176.300 0.028 0.000 0.997 357 D CA 1.515 55.539 54.000 0.040 0.000 0.840 357 D CB 0.004 40.826 40.800 0.036 0.000 0.947 357 D HN 0.692 nan 8.370 nan 0.000 0.452 358 E N -0.271 119.942 120.200 0.021 0.000 2.481 358 E HA 0.233 4.669 4.350 0.143 0.000 0.198 358 E C 0.535 177.142 176.600 0.011 0.000 1.027 358 E CA -0.117 56.292 56.400 0.015 0.000 0.900 358 E CB 0.451 30.160 29.700 0.014 0.000 0.993 358 E HN 0.112 nan 8.360 nan 0.000 0.482 359 A N 1.302 124.129 122.820 0.012 0.000 2.406 359 A HA 0.413 4.819 4.320 0.143 0.000 0.243 359 A C 0.912 178.499 177.584 0.005 0.000 1.082 359 A CA 0.381 52.424 52.037 0.009 0.000 0.786 359 A CB 0.101 19.108 19.000 0.011 0.000 1.029 359 A HN 0.119 nan 8.150 nan 0.000 0.495 360 G N -0.217 108.585 108.800 0.003 0.000 2.414 360 G HA2 0.388 4.434 3.960 0.143 0.000 0.236 360 G HA3 0.388 4.434 3.960 0.143 0.000 0.236 360 G C 0.038 174.935 174.900 -0.005 0.000 1.293 360 G CA -0.323 44.777 45.100 0.000 0.000 0.869 360 G HN 0.844 nan 8.290 nan 0.000 0.556 361 L N 1.564 122.780 121.223 -0.011 0.000 2.485 361 L HA 0.358 4.784 4.340 0.143 0.000 0.275 361 L C 0.746 177.606 176.870 -0.016 0.000 1.207 361 L CA 0.774 55.600 54.840 -0.023 0.000 0.855 361 L CB 0.794 42.833 42.059 -0.033 0.000 1.114 361 L HN 0.474 nan 8.230 nan 0.000 0.485 362 T N 4.052 118.596 114.554 -0.018 0.000 2.893 362 T HA 0.205 4.641 4.350 0.143 0.000 0.291 362 T C 0.860 175.553 174.700 -0.011 0.000 1.028 362 T CA -0.228 61.867 62.100 -0.009 0.000 0.995 362 T CB 1.613 70.482 68.868 0.001 0.000 1.051 362 T HN 0.722 nan 8.240 nan 0.000 0.470 363 N N 1.820 120.515 118.700 -0.008 0.000 2.037 363 N HA -0.180 4.647 4.740 0.143 0.000 0.196 363 N C 1.226 176.735 175.510 -0.002 0.000 1.034 363 N CA 2.090 55.136 53.050 -0.007 0.000 0.861 363 N CB -0.049 38.436 38.487 -0.003 0.000 1.039 363 N HN 0.525 nan 8.380 nan 0.000 0.427 364 D N -0.409 119.995 120.400 0.007 0.000 2.149 364 D HA -0.139 4.588 4.640 0.143 0.000 0.198 364 D C 1.711 178.029 176.300 0.029 0.000 0.990 364 D CA 0.883 54.893 54.000 0.017 0.000 0.839 364 D CB -0.299 40.512 40.800 0.018 0.000 0.948 364 D HN 0.412 nan 8.370 nan 0.000 0.460 365 E N 0.004 120.223 120.200 0.032 0.000 2.152 365 E HA -0.024 4.412 4.350 0.143 0.000 0.192 365 E C 2.036 178.681 176.600 0.074 0.000 0.983 365 E CA 0.410 56.854 56.400 0.074 0.000 0.818 365 E CB -0.140 29.586 29.700 0.043 0.000 0.758 365 E HN 0.301 nan 8.360 nan 0.000 0.467 366 I N -0.548 120.011 120.570 -0.017 0.000 2.226 366 I HA -0.252 4.004 4.170 0.143 0.000 0.245 366 I C 2.065 178.137 176.117 -0.075 0.000 1.100 366 I CA 0.713 61.968 61.300 -0.075 0.000 1.374 366 I CB -0.206 37.742 38.000 -0.088 0.000 1.057 366 I HN 0.027 nan 8.210 nan 0.000 0.413 367 V N 0.622 120.512 119.914 -0.040 0.000 2.343 367 V HA -0.294 3.912 4.120 0.143 0.000 0.247 367 V C 2.586 178.671 176.094 -0.014 0.000 1.051 367 V CA 1.841 64.117 62.300 -0.040 0.000 1.036 367 V CB -0.781 31.038 31.823 -0.007 0.000 0.654 367 V HN 0.362 nan 8.190 nan 0.000 0.451 368 R N -1.077 119.445 120.500 0.036 0.000 2.091 368 R HA -0.179 4.247 4.340 0.143 0.000 0.238 368 R C 2.355 178.655 176.300 0.001 0.000 1.136 368 R CA 1.860 57.978 56.100 0.030 0.000 0.959 368 R CB -0.265 30.070 30.300 0.059 0.000 0.856 368 R HN 0.618 nan 8.270 nan 0.000 0.437 369 H N -0.402 118.631 119.070 -0.062 0.000 2.363 369 H HA -0.011 4.631 4.556 0.143 0.000 0.301 369 H C 1.883 177.154 175.328 -0.096 0.000 1.074 369 H CA 1.728 57.743 56.048 -0.054 0.000 1.354 369 H CB -0.004 29.739 29.762 -0.031 0.000 1.397 369 H HN 0.146 nan 8.280 nan 0.000 0.516 370 I N 0.023 120.535 120.570 -0.097 0.000 2.252 370 I HA -0.257 3.999 4.170 0.143 0.000 0.245 370 I C 2.154 178.222 176.117 -0.080 0.000 1.102 370 I CA 1.200 62.377 61.300 -0.205 0.000 1.385 370 I CB -0.339 37.414 38.000 -0.412 0.000 1.064 370 I HN 0.338 nan 8.210 nan 0.000 0.414 371 N N 0.733 119.397 118.700 -0.060 0.000 2.094 371 N HA -0.211 4.615 4.740 0.143 0.000 0.191 371 N C 1.890 177.384 175.510 -0.027 0.000 1.023 371 N CA 1.226 54.256 53.050 -0.034 0.000 0.857 371 N CB -0.028 38.445 38.487 -0.024 0.000 1.013 371 N HN 0.348 nan 8.380 nan 0.000 0.426 372 A N 0.505 123.303 122.820 -0.035 0.000 2.015 372 A HA -0.054 4.352 4.320 0.143 0.000 0.219 372 A C 2.066 179.646 177.584 -0.007 0.000 1.163 372 A CA 0.662 52.679 52.037 -0.034 0.000 0.646 372 A CB -0.413 18.544 19.000 -0.071 0.000 0.806 372 A HN 0.338 nan 8.150 nan 0.000 0.448 373 L N -0.291 120.941 121.223 0.014 0.000 2.156 373 L HA 0.048 4.474 4.340 0.143 0.000 0.208 373 L C 0.301 177.188 176.870 0.028 0.000 1.095 373 L CA 0.222 55.090 54.840 0.046 0.000 0.770 373 L CB -0.271 41.848 42.059 0.100 0.000 0.914 373 L HN 0.320 nan 8.230 nan 0.000 0.439 374 L N 0.770 121.999 121.223 0.009 0.000 2.513 374 L HA 0.030 4.456 4.340 0.143 0.000 0.272 374 L C 0.552 177.417 176.870 -0.008 0.000 1.187 374 L CA 0.065 54.904 54.840 -0.001 0.000 0.895 374 L CB 0.193 42.244 42.059 -0.013 0.000 1.147 374 L HN 0.223 nan 8.230 nan 0.000 0.483 375 T N -2.117 112.429 114.554 -0.013 0.000 2.910 375 T HA 0.252 4.688 4.350 0.143 0.000 0.287 375 T C 1.006 175.687 174.700 -0.030 0.000 1.050 375 T CA -0.177 61.912 62.100 -0.019 0.000 1.011 375 T CB 1.614 70.474 68.868 -0.013 0.000 1.195 375 T HN 0.552 nan 8.240 nan 0.000 0.540 376 S N 0.030 115.711 115.700 -0.033 0.000 2.469 376 S HA -0.125 4.431 4.470 0.143 0.000 0.238 376 S C 1.321 175.895 174.600 -0.044 0.000 0.998 376 S CA 1.221 59.397 58.200 -0.040 0.000 0.957 376 S CB -0.790 62.387 63.200 -0.039 0.000 0.764 376 S HN 0.764 nan 8.310 nan 0.000 0.514 377 N N 1.135 119.810 118.700 -0.042 0.000 2.268 377 N HA 0.165 4.991 4.740 0.143 0.000 0.204 377 N C -0.749 174.714 175.510 -0.077 0.000 1.124 377 N CA 0.053 53.072 53.050 -0.051 0.000 0.838 377 N CB 0.243 38.709 38.487 -0.034 0.000 0.994 377 N HN 0.310 nan 8.380 nan 0.000 0.489 378 T N -0.405 114.104 114.554 -0.075 0.000 2.875 378 T HA 0.349 4.785 4.350 0.143 0.000 0.284 378 T C -0.349 174.271 174.700 -0.133 0.000 0.995 378 T CA -0.238 61.804 62.100 -0.097 0.000 1.060 378 T CB 1.572 70.413 68.868 -0.045 0.000 0.967 378 T HN -0.078 nan 8.240 nan 0.000 0.476 379 T N 3.596 118.019 114.554 -0.219 0.000 2.791 379 T HA 0.444 4.880 4.350 0.143 0.000 0.288 379 T C -0.609 174.055 174.700 -0.060 0.000 0.999 379 T CA -0.567 61.429 62.100 -0.173 0.000 0.952 379 T CB 0.535 69.215 68.868 -0.312 0.000 0.938 379 T HN 0.357 nan 8.240 nan 0.000 0.444 380 L N 4.865 126.091 121.223 0.005 0.000 2.272 380 L HA 0.603 5.029 4.340 0.143 0.000 0.289 380 L C -0.845 176.081 176.870 0.092 0.000 1.032 380 L CA -0.710 54.162 54.840 0.053 0.000 0.810 380 L CB 1.013 43.094 42.059 0.036 0.000 1.205 380 L HN 0.381 nan 8.230 nan 0.000 0.422 381 V N 4.616 124.600 119.914 0.118 0.000 2.370 381 V HA 0.537 4.743 4.120 0.143 0.000 0.283 381 V C 0.288 176.497 176.094 0.191 0.000 1.023 381 V CA -0.542 61.846 62.300 0.147 0.000 0.857 381 V CB 1.341 33.181 31.823 0.029 0.000 0.985 381 V HN 0.845 nan 8.190 nan 0.000 0.443 382 A N 3.762 126.757 122.820 0.293 0.000 2.291 382 A HA 0.734 5.140 4.320 0.143 0.000 0.311 382 A C -0.273 177.563 177.584 0.421 0.000 1.224 382 A CA -0.551 51.656 52.037 0.284 0.000 0.821 382 A CB 1.029 20.157 19.000 0.215 0.000 1.172 382 A HN 0.810 nan 8.150 nan 0.000 0.494 383 E N 1.668 122.045 120.200 0.295 0.000 2.392 383 E HA 0.360 4.796 4.350 0.143 0.000 0.259 383 E C 0.129 176.681 176.600 -0.080 0.000 1.108 383 E CA 0.145 56.693 56.400 0.247 0.000 0.916 383 E CB 0.511 30.297 29.700 0.143 0.000 0.989 383 E HN 0.559 nan 8.360 nan 0.000 0.432 384 T N 2.441 116.816 114.554 -0.298 0.000 2.934 384 T HA 0.486 4.923 4.350 0.143 0.000 0.306 384 T C 0.315 174.570 174.700 -0.743 0.000 1.042 384 T CA 0.731 62.179 62.100 -1.086 0.000 1.145 384 T CB 0.071 68.517 68.868 -0.704 0.000 0.982 384 T HN 0.758 nan 8.240 nan 0.000 0.544 385 G N 2.840 111.116 108.800 -0.874 0.000 2.298 385 G HA2 -0.085 3.961 3.960 0.143 0.000 0.309 385 G HA3 -0.085 3.961 3.960 0.143 0.000 0.309 385 G C 0.221 175.045 174.900 -0.127 0.000 1.279 385 G CA -0.079 44.810 45.100 -0.352 0.000 1.042 385 G HN 0.542 nan 8.290 nan 0.000 0.480 386 D N -0.074 120.340 120.400 0.024 0.000 2.309 386 D HA 0.017 4.743 4.640 0.143 0.000 0.212 386 D C 2.459 178.873 176.300 0.190 0.000 0.968 386 D CA 1.835 55.940 54.000 0.175 0.000 0.882 386 D CB -0.078 40.763 40.800 0.070 0.000 0.918 386 D HN 0.292 nan 8.370 nan 0.000 0.503 387 S N -0.488 115.259 115.700 0.079 0.000 2.399 387 S HA -0.137 4.419 4.470 0.143 0.000 0.231 387 S C 1.481 176.181 174.600 0.167 0.000 1.022 387 S CA 0.425 58.682 58.200 0.096 0.000 0.983 387 S CB -0.279 62.962 63.200 0.068 0.000 0.803 387 S HN 0.451 nan 8.310 nan 0.000 0.480 388 W N 1.320 122.566 121.300 -0.090 0.000 2.321 388 W HA -0.046 4.700 4.660 0.144 0.000 0.306 388 W C 1.768 178.086 176.519 -0.335 0.000 1.217 388 W CA 0.373 57.533 57.345 -0.309 0.000 1.257 388 W CB -1.306 27.784 29.460 -0.617 0.000 1.145 388 W HN 0.332 nan 8.180 nan 0.000 0.509 389 F N 0.610 120.676 119.950 0.193 0.000 2.234 389 F HA -0.118 4.496 4.527 0.144 0.000 0.296 389 F C 2.124 177.966 175.800 0.070 0.000 1.089 389 F CA 1.641 59.704 58.000 0.106 0.000 1.343 389 F CB -1.076 37.938 39.000 0.023 0.000 1.040 389 F HN -0.000 nan 8.300 nan 0.000 0.498 390 N N 0.446 119.270 118.700 0.208 0.000 2.467 390 N HA 0.064 4.890 4.740 0.143 0.000 0.184 390 N C 1.788 177.338 175.510 0.067 0.000 1.106 390 N CA 0.711 53.830 53.050 0.114 0.000 0.892 390 N CB -0.130 38.401 38.487 0.073 0.000 0.969 390 N HN 0.239 nan 8.380 nan 0.000 0.454 391 A N 1.991 124.848 122.820 0.062 0.000 1.902 391 A HA -0.074 4.332 4.320 0.143 0.000 0.217 391 A C 2.306 179.893 177.584 0.005 0.000 1.181 391 A CA 1.088 53.139 52.037 0.022 0.000 0.623 391 A CB -0.283 18.724 19.000 0.012 0.000 0.818 391 A HN 0.100 nan 8.150 nan 0.000 0.443 392 M N -0.358 119.249 119.600 0.013 0.000 2.279 392 M HA -0.068 4.499 4.480 0.143 0.000 0.264 392 M C 1.773 178.117 176.300 0.072 0.000 1.062 392 M CA 1.215 56.534 55.300 0.032 0.000 1.099 392 M CB -1.206 31.449 32.600 0.091 0.000 1.394 392 M HN 0.364 nan 8.290 nan 0.000 0.426 393 R N -1.062 119.485 120.500 0.078 0.000 2.310 393 R HA 0.248 4.674 4.340 0.143 0.000 0.202 393 R C 0.174 176.506 176.300 0.054 0.000 0.933 393 R CA -0.047 56.098 56.100 0.075 0.000 1.054 393 R CB -0.007 30.338 30.300 0.076 0.000 0.985 393 R HN 0.298 nan 8.270 nan 0.000 0.489 394 M N 0.335 119.959 119.600 0.041 0.000 2.318 394 M HA 0.157 4.723 4.480 0.143 0.000 0.347 394 M C -0.280 176.040 176.300 0.034 0.000 1.175 394 M CA -0.022 55.292 55.300 0.025 0.000 1.075 394 M CB 2.084 34.686 32.600 0.002 0.000 1.614 394 M HN -0.137 nan 8.290 nan 0.000 0.456 395 T N 5.003 119.574 114.554 0.030 0.000 2.723 395 T HA 0.487 4.923 4.350 0.143 0.000 0.297 395 T C -0.547 174.149 174.700 -0.006 0.000 0.925 395 T CA -0.717 61.401 62.100 0.029 0.000 1.030 395 T CB -0.399 68.492 68.868 0.039 0.000 0.905 395 T HN 0.442 nan 8.240 nan 0.000 0.502 396 L N 3.268 124.470 121.223 -0.034 0.000 2.295 396 L HA 0.702 5.128 4.340 0.143 0.000 0.285 396 L C -2.455 174.374 176.870 -0.068 0.000 1.035 396 L CA -2.448 52.362 54.840 -0.051 0.000 0.806 396 L CB -0.086 41.938 42.059 -0.058 0.000 1.214 396 L HN 0.208 nan 8.230 nan 0.000 0.426 397 P HA 0.058 nan 4.420 nan 0.000 0.269 397 P C -0.553 176.704 177.300 -0.072 0.000 1.215 397 P CA -0.427 62.640 63.100 -0.055 0.000 0.780 397 P CB 0.585 32.261 31.700 -0.039 0.000 0.898 398 R N 0.911 121.364 120.500 -0.078 0.000 2.538 398 R HA 0.218 4.645 4.340 0.143 0.000 0.282 398 R C 1.254 177.509 176.300 -0.074 0.000 1.009 398 R CA 1.421 57.466 56.100 -0.092 0.000 1.063 398 R CB -0.769 29.478 30.300 -0.088 0.000 0.945 398 R HN 0.859 nan 8.270 nan 0.000 0.414 399 G N 2.166 110.921 108.800 -0.076 0.000 2.279 399 G HA2 -0.288 3.758 3.960 0.143 0.000 0.223 399 G HA3 -0.288 3.758 3.960 0.143 0.000 0.223 399 G C 0.074 174.943 174.900 -0.051 0.000 1.015 399 G CA -0.051 45.013 45.100 -0.059 0.000 0.621 399 G HN 0.939 nan 8.290 nan 0.000 0.506 400 A N 0.329 123.117 122.820 -0.053 0.000 2.498 400 A HA 0.714 5.120 4.320 0.143 0.000 0.239 400 A C 0.560 178.125 177.584 -0.032 0.000 1.068 400 A CA 0.762 52.771 52.037 -0.047 0.000 0.766 400 A CB 0.243 19.215 19.000 -0.047 0.000 1.003 400 A HN 0.592 nan 8.150 nan 0.000 0.497 401 R N 0.545 121.029 120.500 -0.027 0.000 2.514 401 R HA 0.601 5.027 4.340 0.143 0.000 0.301 401 R C -1.286 175.020 176.300 0.010 0.000 0.962 401 R CA -0.352 55.752 56.100 0.007 0.000 0.882 401 R CB 2.095 32.399 30.300 0.007 0.000 1.143 401 R HN 0.490 nan 8.270 nan 0.000 0.452 402 V N 2.936 122.864 119.914 0.022 0.000 2.555 402 V HA 0.383 4.589 4.120 0.143 0.000 0.302 402 V C -0.654 175.469 176.094 0.049 0.000 1.038 402 V CA -0.793 61.514 62.300 0.011 0.000 0.887 402 V CB 1.989 33.779 31.823 -0.055 0.000 0.991 402 V HN 0.651 nan 8.190 nan 0.000 0.434 403 E N 5.029 125.300 120.200 0.118 0.000 2.155 403 E HA 0.628 5.064 4.350 0.143 0.000 0.264 403 E C -1.149 175.622 176.600 0.284 0.000 0.886 403 E CA -0.287 56.249 56.400 0.227 0.000 0.752 403 E CB 2.394 32.288 29.700 0.323 0.000 1.133 403 E HN 0.478 nan 8.360 nan 0.000 0.414 404 L N 1.122 122.394 121.223 0.081 0.000 2.341 404 L HA 0.411 4.838 4.340 0.143 0.000 0.267 404 L C 0.532 177.191 176.870 -0.352 0.000 1.009 404 L CA -0.555 54.223 54.840 -0.103 0.000 0.819 404 L CB 2.135 44.013 42.059 -0.302 0.000 1.323 404 L HN 0.396 nan 8.230 nan 0.000 0.425 405 E N 2.134 121.994 120.200 -0.567 0.000 3.896 405 E HA 0.221 4.657 4.350 0.143 0.000 0.217 405 E C 0.283 176.752 176.600 -0.219 0.000 1.150 405 E CA -0.082 55.928 56.400 -0.651 0.000 1.338 405 E CB 0.566 29.334 29.700 -1.553 0.000 1.242 405 E HN 0.670 nan 8.360 nan 0.000 0.435 406 M N 0.323 119.754 119.600 -0.281 0.000 2.558 406 M HA -0.047 4.519 4.480 0.143 0.000 0.255 406 M C 1.848 178.099 176.300 -0.081 0.000 1.113 406 M CA 0.728 55.822 55.300 -0.344 0.000 1.097 406 M CB 0.168 32.292 32.600 -0.794 0.000 1.426 406 M HN 0.159 nan 8.290 nan 0.000 0.488 407 Q N 0.288 120.070 119.800 -0.030 0.000 2.134 407 Q HA -0.066 4.360 4.340 0.143 0.000 0.195 407 Q C 1.826 177.941 176.000 0.191 0.000 0.958 407 Q CA 1.428 57.263 55.803 0.054 0.000 0.840 407 Q CB -0.225 28.544 28.738 0.051 0.000 0.918 407 Q HN 0.610 nan 8.270 nan 0.000 0.467 408 W N 0.454 121.741 121.300 -0.023 0.000 2.444 408 W HA 0.085 4.832 4.660 0.145 0.000 0.308 408 W C 0.574 177.137 176.519 0.073 0.000 1.183 408 W CA 1.417 58.781 57.345 0.032 0.000 1.340 408 W CB -0.011 29.480 29.460 0.051 0.000 1.138 408 W HN 0.376 nan 8.180 nan 0.000 0.510 409 G N 1.240 110.149 108.800 0.182 0.000 2.295 409 G HA2 -0.325 3.721 3.960 0.143 0.000 0.287 409 G HA3 -0.325 3.721 3.960 0.143 0.000 0.287 409 G C -0.189 174.708 174.900 -0.005 0.000 1.055 409 G CA 0.364 45.554 45.100 0.150 0.000 0.922 409 G HN 0.573 nan 8.290 nan 0.000 0.503 410 H N 0.870 119.908 119.070 -0.054 0.000 2.846 410 H HA 0.380 5.022 4.556 0.144 0.000 0.278 410 H C 1.442 176.771 175.328 0.002 0.000 1.117 410 H CA -0.198 55.837 56.048 -0.023 0.000 1.406 410 H CB 0.012 29.922 29.762 0.246 0.000 1.445 410 H HN 0.637 nan 8.280 nan 0.000 0.469 411 I N 1.341 121.863 120.570 -0.080 0.000 2.815 411 I HA 0.186 4.442 4.170 0.143 0.000 0.291 411 I C 1.216 177.424 176.117 0.151 0.000 1.209 411 I CA 0.931 62.221 61.300 -0.017 0.000 1.431 411 I CB 0.504 38.408 38.000 -0.161 0.000 1.351 411 I HN 0.748 nan 8.210 nan 0.000 0.585 412 G N 4.610 113.497 108.800 0.144 0.000 2.258 412 G HA2 -0.349 3.697 3.960 0.143 0.000 0.233 412 G HA3 -0.349 3.697 3.960 0.143 0.000 0.233 412 G C 0.459 175.395 174.900 0.059 0.000 1.006 412 G CA 0.507 45.686 45.100 0.132 0.000 0.620 412 G HN 1.103 nan 8.290 nan 0.000 0.511 413 W N 1.981 123.155 121.300 -0.209 0.000 2.305 413 W HA -0.085 4.660 4.660 0.143 0.000 0.308 413 W C 2.418 178.788 176.519 -0.249 0.000 1.226 413 W CA 2.945 59.939 57.345 -0.585 0.000 1.253 413 W CB -0.701 28.421 29.460 -0.564 0.000 1.146 413 W HN 0.394 nan 8.180 nan 0.000 0.507 414 S N 0.057 115.672 115.700 -0.142 0.000 2.393 414 S HA -0.329 4.227 4.470 0.143 0.000 0.235 414 S C 1.698 176.070 174.600 -0.380 0.000 1.061 414 S CA 2.792 60.787 58.200 -0.341 0.000 1.129 414 S CB -0.940 62.278 63.200 0.029 0.000 1.011 414 S HN 0.209 nan 8.310 nan 0.000 0.436 415 V N 3.199 123.006 119.914 -0.179 0.000 2.239 415 V HA -0.055 4.152 4.120 0.143 0.000 0.242 415 V C -0.616 175.416 176.094 -0.104 0.000 1.038 415 V CA 1.809 64.059 62.300 -0.083 0.000 1.002 415 V CB -1.797 30.006 31.823 -0.033 0.000 0.641 415 V HN 0.454 nan 8.190 nan 0.000 0.449 416 P HA -0.130 nan 4.420 nan 0.000 0.218 416 P C 1.999 179.255 177.300 -0.073 0.000 1.149 416 P CA 1.860 64.949 63.100 -0.017 0.000 0.817 416 P CB -0.044 31.683 31.700 0.045 0.000 0.785 417 S N -0.103 115.390 115.700 -0.346 0.000 2.356 417 S HA -0.141 4.415 4.470 0.143 0.000 0.223 417 S C 2.092 176.503 174.600 -0.314 0.000 1.032 417 S CA 1.425 59.340 58.200 -0.474 0.000 1.005 417 S CB -0.981 61.447 63.200 -1.287 0.000 0.867 417 S HN 0.134 nan 8.310 nan 0.000 0.449 418 A N 0.543 123.187 122.820 -0.293 0.000 1.933 418 A HA -0.004 4.402 4.320 0.143 0.000 0.218 418 A C 1.945 179.479 177.584 -0.083 0.000 1.175 418 A CA 1.603 53.558 52.037 -0.135 0.000 0.628 418 A CB -0.997 17.963 19.000 -0.068 0.000 0.814 418 A HN 0.686 nan 8.150 nan 0.000 0.444 419 F N 1.224 121.078 119.950 -0.161 0.000 2.075 419 F HA -0.028 4.585 4.527 0.144 0.000 0.297 419 F C 2.281 178.024 175.800 -0.094 0.000 1.113 419 F CA 1.662 59.596 58.000 -0.111 0.000 1.218 419 F CB -0.909 38.050 39.000 -0.068 0.000 0.984 419 F HN 0.174 nan 8.300 nan 0.000 0.472 420 G N 0.365 108.963 108.800 -0.337 0.000 2.421 420 G HA2 -0.351 3.695 3.960 0.143 0.000 0.216 420 G HA3 -0.351 3.695 3.960 0.143 0.000 0.216 420 G C 1.697 176.510 174.900 -0.145 0.000 1.171 420 G CA 0.865 45.766 45.100 -0.332 0.000 0.775 420 G HN 0.435 nan 8.290 nan 0.000 0.543 421 N N 1.431 120.033 118.700 -0.164 0.000 2.104 421 N HA -0.124 4.702 4.740 0.143 0.000 0.190 421 N C 2.519 177.856 175.510 -0.288 0.000 1.024 421 N CA 1.542 54.512 53.050 -0.133 0.000 0.853 421 N CB -0.337 38.138 38.487 -0.021 0.000 1.008 421 N HN 0.253 nan 8.380 nan 0.000 0.424 422 A N 1.355 123.824 122.820 -0.585 0.000 1.902 422 A HA -0.104 4.302 4.320 0.143 0.000 0.217 422 A C 2.340 179.669 177.584 -0.425 0.000 1.181 422 A CA 1.227 52.749 52.037 -0.857 0.000 0.623 422 A CB -0.490 18.091 19.000 -0.697 0.000 0.818 422 A HN 0.261 nan 8.150 nan 0.000 0.443 423 M N -0.515 118.838 119.600 -0.411 0.000 2.106 423 M HA -0.173 4.393 4.480 0.143 0.000 0.259 423 M C 2.082 178.177 176.300 -0.342 0.000 1.068 423 M CA 1.714 56.760 55.300 -0.423 0.000 1.100 423 M CB -1.451 30.854 32.600 -0.492 0.000 1.351 423 M HN 0.506 nan 8.290 nan 0.000 0.404 424 G N -0.887 107.722 108.800 -0.319 0.000 2.920 424 G HA2 0.041 4.087 3.960 0.143 0.000 0.208 424 G HA3 0.041 4.087 3.960 0.143 0.000 0.208 424 G C 0.392 175.131 174.900 -0.267 0.000 1.159 424 G CA 0.652 45.422 45.100 -0.550 0.000 0.784 424 G HN 0.553 nan 8.290 nan 0.000 0.535 425 S N -0.843 114.780 115.700 -0.129 0.000 2.708 425 S HA 0.237 4.793 4.470 0.143 0.000 0.141 425 S C 0.454 175.105 174.600 0.085 0.000 1.349 425 S CA -0.591 57.610 58.200 0.003 0.000 1.206 425 S CB 0.424 63.663 63.200 0.064 0.000 1.603 425 S HN 0.241 nan 8.310 nan 0.000 0.415 426 Q N 1.613 121.423 119.800 0.017 0.000 2.436 426 Q HA -0.087 4.339 4.340 0.143 0.000 0.209 426 Q C 1.357 177.394 176.000 0.062 0.000 0.965 426 Q CA 1.379 57.199 55.803 0.029 0.000 0.910 426 Q CB -0.120 28.620 28.738 0.004 0.000 0.980 426 Q HN 0.877 nan 8.270 nan 0.000 0.491 427 D N 0.174 120.605 120.400 0.053 0.000 2.317 427 D HA -0.076 4.651 4.640 0.143 0.000 0.211 427 D C 0.449 176.771 176.300 0.036 0.000 0.966 427 D CA 0.301 54.323 54.000 0.037 0.000 0.876 427 D CB 0.163 40.974 40.800 0.017 0.000 0.927 427 D HN 0.093 nan 8.370 nan 0.000 0.519 428 R N 0.115 120.648 120.500 0.055 0.000 2.549 428 R HA 0.379 4.805 4.340 0.143 0.000 0.267 428 R C -0.300 176.002 176.300 0.004 0.000 1.045 428 R CA -0.685 55.402 56.100 -0.022 0.000 1.115 428 R CB 0.742 30.955 30.300 -0.145 0.000 1.121 428 R HN -0.063 nan 8.270 nan 0.000 0.543 429 Q N 1.190 120.951 119.800 -0.066 0.000 2.279 429 Q HA 0.184 4.610 4.340 0.143 0.000 0.256 429 Q C -1.179 174.745 176.000 -0.125 0.000 0.937 429 Q CA 0.203 55.998 55.803 -0.014 0.000 0.933 429 Q CB 0.978 29.718 28.738 0.003 0.000 1.189 429 Q HN 0.375 nan 8.270 nan 0.000 0.417 430 H N 0.326 119.418 119.070 0.037 0.000 2.476 430 H HA 0.578 5.220 4.556 0.143 0.000 0.328 430 H C -0.956 174.413 175.328 0.068 0.000 1.073 430 H CA -0.519 55.554 56.048 0.042 0.000 1.229 430 H CB 1.013 30.791 29.762 0.027 0.000 1.432 430 H HN 0.283 nan 8.280 nan 0.000 0.477 431 V N 4.754 124.762 119.914 0.158 0.000 2.540 431 V HA 0.356 4.562 4.120 0.143 0.000 0.302 431 V C -0.556 175.652 176.094 0.191 0.000 1.035 431 V CA -0.795 61.621 62.300 0.194 0.000 0.873 431 V CB 2.028 33.977 31.823 0.211 0.000 0.992 431 V HN 0.478 nan 8.190 nan 0.000 0.428 432 V N 5.591 125.634 119.914 0.215 0.000 2.495 432 V HA 0.530 4.736 4.120 0.143 0.000 0.298 432 V C -0.175 176.061 176.094 0.236 0.000 1.031 432 V CA -0.505 61.902 62.300 0.178 0.000 0.871 432 V CB 1.881 33.780 31.823 0.126 0.000 0.988 432 V HN 0.830 nan 8.190 nan 0.000 0.432 433 M N 5.168 124.877 119.600 0.182 0.000 2.114 433 M HA 0.635 5.201 4.480 0.143 0.000 0.332 433 M C -1.068 175.308 176.300 0.126 0.000 1.014 433 M CA -0.554 54.842 55.300 0.160 0.000 0.956 433 M CB 1.850 34.515 32.600 0.109 0.000 1.551 433 M HN 0.461 nan 8.290 nan 0.000 0.427 434 V N 2.965 122.938 119.914 0.098 0.000 2.808 434 V HA 0.821 5.027 4.120 0.143 0.000 0.308 434 V C -0.100 175.999 176.094 0.008 0.000 1.099 434 V CA -0.300 62.047 62.300 0.078 0.000 0.920 434 V CB 2.204 34.115 31.823 0.145 0.000 1.014 434 V HN 0.928 nan 8.190 nan 0.000 0.425 435 G N 3.456 112.255 108.800 -0.002 0.000 2.572 435 G HA2 0.293 4.339 3.960 0.143 0.000 0.261 435 G HA3 0.293 4.339 3.960 0.143 0.000 0.261 435 G C 0.668 175.518 174.900 -0.084 0.000 1.197 435 G CA 0.418 45.490 45.100 -0.047 0.000 0.870 435 G HN 0.933 nan 8.290 nan 0.000 0.548 436 D N 0.100 120.400 120.400 -0.168 0.000 2.144 436 D HA -0.098 4.628 4.640 0.143 0.000 0.200 436 D C 2.205 178.461 176.300 -0.073 0.000 0.978 436 D CA 1.352 55.178 54.000 -0.289 0.000 0.833 436 D CB -0.942 39.662 40.800 -0.326 0.000 0.961 436 D HN 0.474 nan 8.370 nan 0.000 0.470 437 G N 0.380 109.204 108.800 0.040 0.000 2.421 437 G HA2 -0.243 3.803 3.960 0.143 0.000 0.216 437 G HA3 -0.243 3.803 3.960 0.143 0.000 0.216 437 G C 1.859 176.853 174.900 0.156 0.000 1.171 437 G CA 1.178 46.408 45.100 0.216 0.000 0.775 437 G HN 0.366 nan 8.290 nan 0.000 0.543 438 S N 0.309 116.060 115.700 0.086 0.000 2.368 438 S HA -0.072 4.484 4.470 0.143 0.000 0.224 438 S C 1.893 176.556 174.600 0.105 0.000 1.029 438 S CA 0.904 59.142 58.200 0.062 0.000 0.988 438 S CB -0.379 62.847 63.200 0.044 0.000 0.838 438 S HN 0.369 nan 8.310 nan 0.000 0.462 439 F N 2.597 122.528 119.950 -0.032 0.000 2.161 439 F HA -0.157 4.456 4.527 0.143 0.000 0.300 439 F C 2.358 178.186 175.800 0.046 0.000 1.089 439 F CA 1.419 59.422 58.000 0.006 0.000 1.282 439 F CB -0.401 38.572 39.000 -0.045 0.000 1.010 439 F HN 0.203 nan 8.300 nan 0.000 0.485 440 Q N -0.321 119.473 119.800 -0.011 0.000 2.226 440 Q HA -0.184 4.242 4.340 0.143 0.000 0.204 440 Q C 2.113 178.159 176.000 0.077 0.000 0.975 440 Q CA 1.315 57.045 55.803 -0.123 0.000 0.866 440 Q CB -0.262 28.284 28.738 -0.320 0.000 0.915 440 Q HN 0.411 nan 8.270 nan 0.000 0.440 441 L N -0.173 121.086 121.223 0.059 0.000 2.093 441 L HA -0.110 4.316 4.340 0.143 0.000 0.208 441 L C 2.052 178.978 176.870 0.092 0.000 1.085 441 L CA 1.810 56.714 54.840 0.107 0.000 0.755 441 L CB -0.083 42.055 42.059 0.131 0.000 0.904 441 L HN 0.292 nan 8.230 nan 0.000 0.435 442 T N -5.806 108.745 114.554 -0.005 0.000 3.209 442 T HA 0.373 4.809 4.350 0.143 0.000 0.295 442 T C 1.530 176.116 174.700 -0.191 0.000 0.977 442 T CA 0.218 62.295 62.100 -0.039 0.000 0.922 442 T CB 0.139 69.004 68.868 -0.006 0.000 1.152 442 T HN 0.065 nan 8.240 nan 0.000 0.527 443 A N 3.066 125.696 122.820 -0.318 0.000 1.940 443 A HA -0.267 4.139 4.320 0.143 0.000 0.221 443 A C 2.467 179.945 177.584 -0.177 0.000 1.190 443 A CA 2.144 53.848 52.037 -0.556 0.000 0.647 443 A CB -0.781 18.099 19.000 -0.200 0.000 0.821 443 A HN 0.730 nan 8.150 nan 0.000 0.457 444 Q N -0.664 119.092 119.800 -0.072 0.000 2.368 444 Q HA -0.214 4.212 4.340 0.143 0.000 0.210 444 Q C 1.237 176.986 176.000 -0.419 0.000 0.982 444 Q CA 1.867 57.547 55.803 -0.205 0.000 0.884 444 Q CB -0.428 28.262 28.738 -0.079 0.000 0.933 444 Q HN 0.645 nan 8.270 nan 0.000 0.460 445 E N 0.684 120.701 120.200 -0.306 0.000 2.482 445 E HA 0.004 4.440 4.350 0.143 0.000 0.196 445 E C 1.723 178.083 176.600 -0.400 0.000 1.047 445 E CA 0.217 56.401 56.400 -0.360 0.000 0.869 445 E CB 0.075 29.617 29.700 -0.264 0.000 0.836 445 E HN 0.221 nan 8.360 nan 0.000 0.520 446 V N 0.209 119.938 119.914 -0.308 0.000 2.626 446 V HA -0.230 3.976 4.120 0.143 0.000 0.252 446 V C 2.164 178.070 176.094 -0.313 0.000 1.067 446 V CA 1.555 63.766 62.300 -0.148 0.000 1.081 446 V CB -0.644 31.299 31.823 0.200 0.000 0.686 446 V HN 0.379 nan 8.190 nan 0.000 0.468 447 A N -0.665 121.702 122.820 -0.755 0.000 1.969 447 A HA -0.185 4.221 4.320 0.143 0.000 0.218 447 A C 2.200 179.582 177.584 -0.336 0.000 1.169 447 A CA 1.218 52.861 52.037 -0.656 0.000 0.635 447 A CB -0.294 18.145 19.000 -0.934 0.000 0.810 447 A HN 0.507 nan 8.150 nan 0.000 0.445 448 Q N -0.437 119.124 119.800 -0.398 0.000 2.079 448 Q HA -0.065 4.361 4.340 0.143 0.000 0.200 448 Q C 2.112 178.068 176.000 -0.074 0.000 0.974 448 Q CA 1.509 57.111 55.803 -0.334 0.000 0.840 448 Q CB -0.586 27.655 28.738 -0.829 0.000 0.898 448 Q HN 0.781 nan 8.270 nan 0.000 0.430 449 M N -0.134 119.401 119.600 -0.109 0.000 2.108 449 M HA -0.172 4.394 4.480 0.143 0.000 0.261 449 M C 2.227 178.618 176.300 0.152 0.000 1.066 449 M CA 1.202 56.615 55.300 0.188 0.000 1.107 449 M CB -0.423 32.267 32.600 0.150 0.000 1.356 449 M HN -0.022 nan 8.290 nan 0.000 0.406 450 V N 0.123 120.073 119.914 0.060 0.000 2.261 450 V HA -0.288 3.918 4.120 0.143 0.000 0.246 450 V C 2.410 178.523 176.094 0.030 0.000 1.047 450 V CA 2.161 64.499 62.300 0.064 0.000 1.015 450 V CB -0.843 31.015 31.823 0.058 0.000 0.642 450 V HN 0.480 nan 8.190 nan 0.000 0.446 451 R N -0.667 119.797 120.500 -0.061 0.000 2.096 451 R HA -0.217 4.209 4.340 0.143 0.000 0.240 451 R C 1.986 178.137 176.300 -0.248 0.000 1.139 451 R CA 2.225 58.198 56.100 -0.211 0.000 0.952 451 R CB -0.293 29.772 30.300 -0.392 0.000 0.854 451 R HN 0.564 nan 8.270 nan 0.000 0.436 452 Y N 0.946 121.319 120.300 0.122 0.000 2.461 452 Y HA 0.190 4.827 4.550 0.144 0.000 0.277 452 Y C -0.182 175.784 175.900 0.110 0.000 1.182 452 Y CA 0.099 58.278 58.100 0.130 0.000 1.276 452 Y CB 0.193 38.768 38.460 0.192 0.000 1.087 452 Y HN 0.176 nan 8.280 nan 0.000 0.519 453 E N 0.292 120.611 120.200 0.199 0.000 2.271 453 E HA -0.233 4.203 4.350 0.143 0.000 0.223 453 E C -0.945 175.742 176.600 0.146 0.000 1.223 453 E CA 0.174 56.669 56.400 0.157 0.000 0.704 453 E CB -1.868 27.909 29.700 0.129 0.000 1.194 453 E HN 0.434 nan 8.360 nan 0.000 0.375 454 L N 1.512 122.834 121.223 0.166 0.000 2.257 454 L HA 0.298 4.724 4.340 0.143 0.000 0.290 454 L C -1.572 175.364 176.870 0.109 0.000 1.044 454 L CA -2.007 52.909 54.840 0.127 0.000 0.810 454 L CB 0.636 42.779 42.059 0.141 0.000 1.193 454 L HN -0.104 nan 8.230 nan 0.000 0.425 455 P HA 0.070 nan 4.420 nan 0.000 0.226 455 P C -0.234 177.121 177.300 0.091 0.000 1.783 455 P CA -0.068 63.082 63.100 0.083 0.000 0.980 455 P CB 0.053 31.794 31.700 0.069 0.000 1.967 456 V N 2.901 122.873 119.914 0.096 0.000 2.530 456 V HA 0.154 4.360 4.120 0.143 0.000 0.282 456 V C 1.044 177.178 176.094 0.068 0.000 1.048 456 V CA -0.339 62.025 62.300 0.107 0.000 0.997 456 V CB 0.966 32.853 31.823 0.107 0.000 0.987 456 V HN 0.209 nan 8.190 nan 0.000 0.477 457 I N 6.113 126.717 120.570 0.055 0.000 2.304 457 I HA 0.379 4.635 4.170 0.143 0.000 0.291 457 I C -0.250 175.821 176.117 -0.077 0.000 1.018 457 I CA 0.021 61.289 61.300 -0.053 0.000 1.260 457 I CB 0.846 38.805 38.000 -0.068 0.000 1.390 457 I HN 0.435 nan 8.210 nan 0.000 0.475 458 I N 6.722 127.205 120.570 -0.145 0.000 2.330 458 I HA 0.252 4.508 4.170 0.143 0.000 0.289 458 I C -0.638 175.337 176.117 -0.235 0.000 1.001 458 I CA -0.356 60.897 61.300 -0.078 0.000 1.193 458 I CB 0.664 38.669 38.000 0.009 0.000 1.345 458 I HN 0.352 nan 8.210 nan 0.000 0.461 459 F N 6.912 126.859 119.950 -0.005 0.000 2.368 459 F HA 0.231 4.844 4.527 0.143 0.000 0.362 459 F C 0.168 175.917 175.800 -0.085 0.000 1.137 459 F CA -0.402 57.577 58.000 -0.035 0.000 1.161 459 F CB 0.672 39.666 39.000 -0.010 0.000 1.265 459 F HN 0.297 nan 8.300 nan 0.000 0.530 460 L N 6.296 127.489 121.223 -0.050 0.000 2.261 460 L HA 0.345 4.771 4.340 0.143 0.000 0.289 460 L C -0.485 176.290 176.870 -0.158 0.000 1.059 460 L CA -0.339 54.374 54.840 -0.212 0.000 0.816 460 L CB 0.361 42.138 42.059 -0.471 0.000 1.191 460 L HN 0.366 nan 8.230 nan 0.000 0.431 461 I N 5.203 125.700 120.570 -0.122 0.000 2.260 461 I HA 0.097 4.353 4.170 0.143 0.000 0.297 461 I C 0.514 176.544 176.117 -0.145 0.000 1.143 461 I CA -0.201 61.048 61.300 -0.086 0.000 1.271 461 I CB -0.378 37.601 38.000 -0.036 0.000 1.461 461 I HN 0.525 nan 8.210 nan 0.000 0.530 462 N N 5.929 124.537 118.700 -0.152 0.000 2.555 462 N HA 0.039 4.865 4.740 0.143 0.000 0.244 462 N C 0.552 176.036 175.510 -0.044 0.000 1.114 462 N CA -0.091 52.879 53.050 -0.134 0.000 0.963 462 N CB 0.177 38.614 38.487 -0.082 0.000 1.276 462 N HN 0.448 nan 8.380 nan 0.000 0.510 463 N N 2.234 120.909 118.700 -0.040 0.000 2.204 463 N HA 0.115 4.941 4.740 0.143 0.000 0.219 463 N C -0.517 174.993 175.510 0.000 0.000 1.151 463 N CA -0.279 52.763 53.050 -0.013 0.000 0.867 463 N CB 0.281 38.758 38.487 -0.017 0.000 1.043 463 N HN 0.221 nan 8.380 nan 0.000 0.516 464 R N -0.504 119.999 120.500 0.005 0.000 3.418 464 R HA -0.055 4.371 4.340 0.143 0.000 0.274 464 R C 0.272 176.561 176.300 -0.019 0.000 1.108 464 R CA 0.835 56.950 56.100 0.024 0.000 0.741 464 R CB -2.251 28.084 30.300 0.059 0.000 1.223 464 R HN 0.737 nan 8.270 nan 0.000 0.434 465 G N -1.159 107.588 108.800 -0.089 0.000 2.369 465 G HA2 0.100 4.146 3.960 0.143 0.000 0.293 465 G HA3 0.100 4.146 3.960 0.143 0.000 0.293 465 G C -1.421 173.409 174.900 -0.117 0.000 1.301 465 G CA -0.885 44.077 45.100 -0.232 0.000 0.913 465 G HN 0.013 nan 8.290 nan 0.000 0.540 466 Y N 1.406 121.597 120.300 -0.182 0.000 2.570 466 Y HA 0.350 4.986 4.550 0.144 0.000 0.336 466 Y C 1.995 177.810 175.900 -0.141 0.000 1.284 466 Y CA -0.684 57.333 58.100 -0.138 0.000 1.761 466 Y CB -0.092 38.304 38.460 -0.107 0.000 1.724 466 Y HN 0.306 nan 8.280 nan 0.000 0.455 467 V N 2.256 122.185 119.914 0.025 0.000 2.358 467 V HA -0.315 3.891 4.120 0.143 0.000 0.246 467 V C 2.333 178.425 176.094 -0.003 0.000 1.047 467 V CA 1.764 64.054 62.300 -0.017 0.000 1.035 467 V CB -0.478 31.332 31.823 -0.020 0.000 0.658 467 V HN 0.746 nan 8.190 nan 0.000 0.452 468 I N -0.222 120.351 120.570 0.006 0.000 2.399 468 I HA -0.294 3.962 4.170 0.143 0.000 0.254 468 I C 2.289 178.431 176.117 0.042 0.000 1.146 468 I CA 1.771 63.081 61.300 0.017 0.000 1.412 468 I CB 0.163 38.167 38.000 0.005 0.000 1.076 468 I HN 0.334 nan 8.210 nan 0.000 0.432 469 E N 0.426 120.656 120.200 0.051 0.000 2.201 469 E HA 0.052 4.488 4.350 0.143 0.000 0.193 469 E C 1.952 178.599 176.600 0.079 0.000 0.957 469 E CA 0.597 57.050 56.400 0.088 0.000 0.858 469 E CB -0.069 29.711 29.700 0.133 0.000 0.816 469 E HN 0.488 nan 8.360 nan 0.000 0.475 470 I N 0.603 121.180 120.570 0.012 0.000 2.264 470 I HA -0.281 3.975 4.170 0.143 0.000 0.248 470 I C 2.152 178.270 176.117 0.001 0.000 1.111 470 I CA 1.268 62.550 61.300 -0.030 0.000 1.382 470 I CB -0.230 37.710 38.000 -0.099 0.000 1.060 470 I HN 0.111 nan 8.210 nan 0.000 0.418 471 A N -0.012 122.807 122.820 -0.001 0.000 2.066 471 A HA -0.076 4.330 4.320 0.143 0.000 0.218 471 A C 2.039 179.621 177.584 -0.003 0.000 1.157 471 A CA 1.434 53.465 52.037 -0.011 0.000 0.670 471 A CB -0.271 18.710 19.000 -0.032 0.000 0.804 471 A HN 0.323 nan 8.150 nan 0.000 0.453 472 I N -2.732 117.854 120.570 0.028 0.000 3.194 472 I HA 0.176 4.432 4.170 0.143 0.000 0.271 472 I C 0.548 176.731 176.117 0.109 0.000 1.150 472 I CA 0.650 61.976 61.300 0.043 0.000 1.440 472 I CB -0.044 37.979 38.000 0.038 0.000 1.276 472 I HN 0.451 nan 8.210 nan 0.000 0.457 473 H N -0.011 119.080 119.070 0.035 0.000 3.059 473 H HA 0.307 4.949 4.556 0.144 0.000 0.302 473 H C -1.299 174.100 175.328 0.119 0.000 1.264 473 H CA -0.588 55.503 56.048 0.071 0.000 1.615 473 H CB 0.331 30.141 29.762 0.080 0.000 1.795 473 H HN -0.080 nan 8.280 nan 0.000 0.556 474 D N 2.426 122.788 120.400 -0.063 0.000 2.264 474 D HA 0.594 5.320 4.640 0.143 0.000 0.249 474 D C 0.228 176.445 176.300 -0.139 0.000 1.070 474 D CA 0.643 54.621 54.000 -0.036 0.000 0.912 474 D CB 1.338 42.127 40.800 -0.018 0.000 1.193 474 D HN 0.753 nan 8.370 nan 0.000 0.427 475 G N 1.821 110.416 108.800 -0.341 0.000 2.576 475 G HA2 0.291 4.338 3.960 0.143 0.000 0.290 475 G HA3 0.291 4.338 3.960 0.143 0.000 0.290 475 G C -2.314 172.165 174.900 -0.700 0.000 1.442 475 G CA -0.912 43.748 45.100 -0.733 0.000 0.792 475 G HN 0.262 nan 8.290 nan 0.000 0.491 476 P HA -0.129 nan 4.420 nan 0.000 0.223 476 P C 1.105 178.394 177.300 -0.019 0.000 1.144 476 P CA 1.216 64.256 63.100 -0.100 0.000 0.783 476 P CB -0.170 31.493 31.700 -0.063 0.000 0.771 477 Y N -1.403 118.984 120.300 0.145 0.000 2.616 477 Y HA 0.131 4.768 4.550 0.144 0.000 0.296 477 Y C 1.573 177.503 175.900 0.048 0.000 1.154 477 Y CA -0.036 58.128 58.100 0.107 0.000 1.325 477 Y CB -1.961 36.570 38.460 0.118 0.000 1.007 477 Y HN -0.105 nan 8.280 nan 0.000 0.542 478 N N -0.499 118.181 118.700 -0.033 0.000 2.336 478 N HA 0.008 4.834 4.740 0.143 0.000 0.189 478 N C -1.125 173.930 175.510 -0.758 0.000 1.113 478 N CA 0.209 53.079 53.050 -0.301 0.000 0.858 478 N CB -0.068 38.172 38.487 -0.412 0.000 0.970 478 N HN 0.391 nan 8.380 nan 0.000 0.471 479 Y N 0.947 121.109 120.300 -0.229 0.000 2.328 479 Y HA 0.451 5.087 4.550 0.144 0.000 0.337 479 Y C 0.612 176.383 175.900 -0.216 0.000 0.966 479 Y CA -1.151 56.821 58.100 -0.213 0.000 1.136 479 Y CB 0.912 39.293 38.460 -0.131 0.000 1.170 479 Y HN -0.129 nan 8.280 nan 0.000 0.470 480 I N -0.488 120.001 120.570 -0.135 0.000 2.863 480 I HA 0.676 4.932 4.170 0.143 0.000 0.311 480 I C -0.503 175.605 176.117 -0.015 0.000 1.026 480 I CA -1.684 59.545 61.300 -0.119 0.000 1.077 480 I CB 1.609 39.465 38.000 -0.240 0.000 1.262 480 I HN 0.248 nan 8.210 nan 0.000 0.461 481 K N 3.146 123.567 120.400 0.034 0.000 2.412 481 K HA 0.093 4.499 4.320 0.143 0.000 0.284 481 K C -0.269 176.386 176.600 0.092 0.000 1.046 481 K CA 0.287 56.636 56.287 0.102 0.000 0.999 481 K CB 0.064 32.679 32.500 0.192 0.000 0.941 481 K HN 0.688 nan 8.250 nan 0.000 0.474 482 N N 3.528 122.290 118.700 0.102 0.000 2.479 482 N HA 0.127 4.953 4.740 0.143 0.000 0.257 482 N C -1.152 174.471 175.510 0.188 0.000 1.232 482 N CA 0.021 53.131 53.050 0.100 0.000 0.920 482 N CB 0.339 38.886 38.487 0.100 0.000 1.105 482 N HN 0.344 nan 8.380 nan 0.000 0.444 483 W N 0.383 121.432 121.300 -0.418 0.000 2.736 483 W HA 0.260 5.006 4.660 0.143 0.000 0.355 483 W C -0.156 176.002 176.519 -0.603 0.000 1.102 483 W CA -0.834 56.136 57.345 -0.625 0.000 1.164 483 W CB 0.180 29.075 29.460 -0.943 0.000 1.422 483 W HN 0.424 nan 8.180 nan 0.000 0.572 484 D N 0.795 121.108 120.400 -0.144 0.000 2.517 484 D HA 0.069 4.795 4.640 0.143 0.000 0.220 484 D C 0.651 176.913 176.300 -0.064 0.000 1.158 484 D CA -0.044 53.906 54.000 -0.084 0.000 0.992 484 D CB -0.185 40.579 40.800 -0.061 0.000 1.058 484 D HN 0.177 nan 8.370 nan 0.000 0.516 485 Y N 2.013 122.389 120.300 0.127 0.000 2.181 485 Y HA -0.135 4.501 4.550 0.144 0.000 0.288 485 Y C 2.490 178.394 175.900 0.007 0.000 1.146 485 Y CA 1.183 59.336 58.100 0.088 0.000 1.164 485 Y CB -0.480 37.944 38.460 -0.060 0.000 0.982 485 Y HN 0.475 nan 8.280 nan 0.000 0.515 486 A N 0.346 123.244 122.820 0.131 0.000 1.902 486 A HA -0.128 4.278 4.320 0.143 0.000 0.217 486 A C 2.555 180.150 177.584 0.018 0.000 1.181 486 A CA 1.764 53.833 52.037 0.054 0.000 0.623 486 A CB -1.505 17.516 19.000 0.036 0.000 0.818 486 A HN 0.473 nan 8.150 nan 0.000 0.443 487 G N -0.731 108.065 108.800 -0.005 0.000 2.509 487 G HA2 -0.048 3.998 3.960 0.143 0.000 0.218 487 G HA3 -0.048 3.998 3.960 0.143 0.000 0.218 487 G C 1.333 176.171 174.900 -0.104 0.000 1.124 487 G CA 0.981 46.050 45.100 -0.052 0.000 0.776 487 G HN 0.456 nan 8.290 nan 0.000 0.547 488 L N 0.116 121.278 121.223 -0.103 0.000 2.275 488 L HA 0.142 4.568 4.340 0.143 0.000 0.215 488 L C 2.550 179.214 176.870 -0.343 0.000 1.119 488 L CA 1.083 55.769 54.840 -0.257 0.000 0.790 488 L CB -0.221 41.774 42.059 -0.106 0.000 0.919 488 L HN 0.073 nan 8.230 nan 0.000 0.443 489 M N -0.987 118.558 119.600 -0.093 0.000 2.086 489 M HA -0.146 4.420 4.480 0.143 0.000 0.261 489 M C 2.109 178.396 176.300 -0.021 0.000 1.067 489 M CA 1.361 56.669 55.300 0.013 0.000 1.116 489 M CB -1.033 31.607 32.600 0.066 0.000 1.348 489 M HN 0.217 nan 8.290 nan 0.000 0.407 490 E N 0.064 120.229 120.200 -0.059 0.000 2.153 490 E HA -0.111 4.325 4.350 0.143 0.000 0.194 490 E C 2.264 178.814 176.600 -0.082 0.000 0.988 490 E CA 0.902 57.269 56.400 -0.054 0.000 0.811 490 E CB -0.456 29.211 29.700 -0.055 0.000 0.746 490 E HN 0.296 nan 8.360 nan 0.000 0.466 491 V N 0.783 120.588 119.914 -0.181 0.000 2.287 491 V HA -0.245 3.961 4.120 0.143 0.000 0.248 491 V C 2.065 178.104 176.094 -0.093 0.000 1.053 491 V CA 1.661 63.830 62.300 -0.219 0.000 1.027 491 V CB -0.571 31.015 31.823 -0.395 0.000 0.646 491 V HN 0.137 nan 8.190 nan 0.000 0.447 492 F N 0.492 120.438 119.950 -0.007 0.000 2.325 492 F HA -0.009 4.604 4.527 0.144 0.000 0.299 492 F C 2.252 178.039 175.800 -0.023 0.000 1.090 492 F CA 0.475 58.469 58.000 -0.010 0.000 1.392 492 F CB -1.130 37.877 39.000 0.012 0.000 1.053 492 F HN 0.205 nan 8.300 nan 0.000 0.521 493 N N 0.747 119.525 118.700 0.130 0.000 2.106 493 N HA -0.079 4.747 4.740 0.143 0.000 0.188 493 N C 1.466 176.981 175.510 0.008 0.000 1.029 493 N CA 1.422 54.497 53.050 0.042 0.000 0.848 493 N CB -0.668 37.819 38.487 -0.001 0.000 1.007 493 N HN 0.099 nan 8.380 nan 0.000 0.423 494 A N -0.512 122.310 122.820 0.003 0.000 2.748 494 A HA -0.095 4.311 4.320 0.143 0.000 0.297 494 A C 1.349 178.917 177.584 -0.026 0.000 1.508 494 A CA 1.833 53.863 52.037 -0.011 0.000 0.799 494 A CB -1.951 17.052 19.000 0.005 0.000 1.011 494 A HN 0.905 nan 8.150 nan 0.000 0.500 495 G N -2.306 106.470 108.800 -0.040 0.000 2.184 495 G HA2 -0.347 3.699 3.960 0.143 0.000 0.264 495 G HA3 -0.347 3.699 3.960 0.143 0.000 0.264 495 G C 0.584 175.439 174.900 -0.075 0.000 0.975 495 G CA 1.444 46.513 45.100 -0.052 0.000 0.642 495 G HN 0.879 nan 8.290 nan 0.000 0.536 496 E N -0.042 120.110 120.200 -0.081 0.000 2.110 496 E HA 0.304 4.741 4.350 0.143 0.000 0.194 496 E C 1.998 178.477 176.600 -0.202 0.000 0.944 496 E CA 0.180 56.518 56.400 -0.102 0.000 0.899 496 E CB -0.030 29.636 29.700 -0.058 0.000 0.907 496 E HN 0.433 nan 8.360 nan 0.000 0.473 497 G N -0.265 108.444 108.800 -0.152 0.000 2.653 497 G HA2 0.008 4.055 3.960 0.143 0.000 0.265 497 G HA3 0.008 4.055 3.960 0.143 0.000 0.265 497 G C -0.507 174.206 174.900 -0.311 0.000 1.237 497 G CA -0.153 44.853 45.100 -0.157 0.000 0.946 497 G HN 0.308 nan 8.290 nan 0.000 0.522 498 H N -1.186 117.909 119.070 0.041 0.000 2.467 498 H HA 0.360 5.002 4.556 0.143 0.000 0.275 498 H C 1.270 176.627 175.328 0.048 0.000 1.131 498 H CA 0.062 56.134 56.048 0.040 0.000 0.989 498 H CB 0.474 30.258 29.762 0.036 0.000 1.696 498 H HN 0.601 nan 8.280 nan 0.000 0.574 499 G N 0.639 109.510 108.800 0.118 0.000 2.483 499 G HA2 0.371 4.417 3.960 0.143 0.000 0.248 499 G HA3 0.371 4.417 3.960 0.143 0.000 0.248 499 G C -0.552 174.398 174.900 0.084 0.000 1.248 499 G CA -0.416 44.751 45.100 0.112 0.000 0.838 499 G HN 0.265 nan 8.290 nan 0.000 0.566 500 L N 1.190 122.456 121.223 0.071 0.000 2.365 500 L HA 0.662 5.088 4.340 0.143 0.000 0.273 500 L C 0.445 177.334 176.870 0.032 0.000 1.000 500 L CA -0.878 53.988 54.840 0.044 0.000 0.819 500 L CB 2.260 44.339 42.059 0.033 0.000 1.284 500 L HN 0.659 nan 8.230 nan 0.000 0.418 501 G N 4.810 113.623 108.800 0.021 0.000 2.487 501 G HA2 0.680 4.726 3.960 0.143 0.000 0.314 501 G HA3 0.680 4.726 3.960 0.143 0.000 0.314 501 G C -1.255 173.646 174.900 0.002 0.000 1.267 501 G CA -0.305 44.803 45.100 0.013 0.000 0.937 501 G HN 0.384 nan 8.290 nan 0.000 0.481 502 L N 1.405 122.623 121.223 -0.009 0.000 2.388 502 L HA 0.560 4.986 4.340 0.143 0.000 0.264 502 L C -0.059 176.807 176.870 -0.005 0.000 0.998 502 L CA -1.010 53.825 54.840 -0.008 0.000 0.817 502 L CB 2.884 44.934 42.059 -0.016 0.000 1.338 502 L HN 0.292 nan 8.230 nan 0.000 0.414 503 K N 1.616 122.019 120.400 0.005 0.000 2.185 503 K HA 0.736 5.142 4.320 0.143 0.000 0.269 503 K C -0.750 175.854 176.600 0.007 0.000 0.987 503 K CA -0.504 55.790 56.287 0.011 0.000 0.865 503 K CB 2.002 34.514 32.500 0.019 0.000 1.090 503 K HN 0.663 nan 8.250 nan 0.000 0.450 504 A N 2.164 124.989 122.820 0.007 0.000 2.304 504 A HA 0.355 4.761 4.320 0.143 0.000 0.314 504 A C 0.327 177.910 177.584 -0.001 0.000 1.187 504 A CA -0.390 51.649 52.037 0.003 0.000 0.810 504 A CB 1.316 20.321 19.000 0.008 0.000 1.183 504 A HN 0.715 nan 8.150 nan 0.000 0.487 505 T N 0.719 115.271 114.554 -0.004 0.000 2.958 505 T HA 0.240 4.676 4.350 0.143 0.000 0.256 505 T C 0.616 175.311 174.700 -0.008 0.000 0.983 505 T CA 1.287 63.386 62.100 -0.002 0.000 0.924 505 T CB 0.041 68.913 68.868 0.006 0.000 1.136 505 T HN 1.019 nan 8.240 nan 0.000 0.506 506 T N -1.313 113.232 114.554 -0.015 0.000 2.883 506 T HA 0.518 4.954 4.350 0.143 0.000 0.296 506 T C -2.554 172.120 174.700 -0.044 0.000 1.117 506 T CA -1.587 60.502 62.100 -0.017 0.000 1.006 506 T CB 1.707 70.574 68.868 -0.001 0.000 1.191 506 T HN -0.359 nan 8.240 nan 0.000 0.508 507 P HA -0.040 nan 4.420 nan 0.000 0.218 507 P C 1.480 178.782 177.300 0.003 0.000 1.149 507 P CA 0.875 63.928 63.100 -0.080 0.000 0.817 507 P CB 0.155 31.876 31.700 0.035 0.000 0.785 508 K N 0.375 120.798 120.400 0.038 0.000 2.057 508 K HA -0.200 4.206 4.320 0.143 0.000 0.207 508 K C 2.071 178.696 176.600 0.041 0.000 1.049 508 K CA 1.501 57.822 56.287 0.057 0.000 0.931 508 K CB -0.274 32.251 32.500 0.042 0.000 0.714 508 K HN 0.065 nan 8.250 nan 0.000 0.440 509 E N 0.313 120.522 120.200 0.014 0.000 2.150 509 E HA -0.173 4.263 4.350 0.143 0.000 0.193 509 E C 1.956 178.562 176.600 0.009 0.000 0.985 509 E CA 0.560 56.967 56.400 0.012 0.000 0.814 509 E CB 0.070 29.773 29.700 0.004 0.000 0.752 509 E HN 0.169 nan 8.360 nan 0.000 0.466 510 L N 0.116 121.324 121.223 -0.025 0.000 2.109 510 L HA -0.079 4.347 4.340 0.143 0.000 0.207 510 L C 2.340 179.249 176.870 0.065 0.000 1.086 510 L CA 1.743 56.564 54.840 -0.031 0.000 0.760 510 L CB -0.677 41.257 42.059 -0.209 0.000 0.910 510 L HN 0.009 nan 8.230 nan 0.000 0.437 511 T N -0.934 113.690 114.554 0.116 0.000 2.746 511 T HA -0.185 4.251 4.350 0.143 0.000 0.267 511 T C 1.736 176.516 174.700 0.133 0.000 1.039 511 T CA 1.795 64.033 62.100 0.229 0.000 1.142 511 T CB -0.055 68.968 68.868 0.259 0.000 0.866 511 T HN 0.467 nan 8.240 nan 0.000 0.444 512 E N 0.334 120.586 120.200 0.087 0.000 2.072 512 E HA 0.010 4.446 4.350 0.143 0.000 0.191 512 E C 2.440 179.072 176.600 0.053 0.000 0.985 512 E CA 0.956 57.392 56.400 0.060 0.000 0.801 512 E CB -0.200 29.526 29.700 0.043 0.000 0.750 512 E HN 0.506 nan 8.360 nan 0.000 0.452 513 A N 0.855 123.705 122.820 0.051 0.000 1.933 513 A HA -0.172 4.234 4.320 0.143 0.000 0.218 513 A C 2.138 179.742 177.584 0.034 0.000 1.175 513 A CA 1.092 53.147 52.037 0.030 0.000 0.628 513 A CB -0.538 18.471 19.000 0.016 0.000 0.814 513 A HN 0.164 nan 8.150 nan 0.000 0.444 514 I N -0.348 120.274 120.570 0.088 0.000 2.315 514 I HA -0.234 4.022 4.170 0.143 0.000 0.248 514 I C 2.927 179.092 176.117 0.080 0.000 1.117 514 I CA 0.864 62.232 61.300 0.113 0.000 1.404 514 I CB -0.292 37.842 38.000 0.225 0.000 1.071 514 I HN 0.350 nan 8.210 nan 0.000 0.419 515 A N 0.946 123.810 122.820 0.073 0.000 1.902 515 A HA -0.189 4.217 4.320 0.143 0.000 0.217 515 A C 2.410 180.017 177.584 0.038 0.000 1.181 515 A CA 1.372 53.441 52.037 0.054 0.000 0.623 515 A CB -0.453 18.577 19.000 0.050 0.000 0.818 515 A HN 0.260 nan 8.150 nan 0.000 0.443 516 R N -0.522 119.997 120.500 0.032 0.000 2.075 516 R HA -0.071 4.355 4.340 0.143 0.000 0.232 516 R C 2.469 178.779 176.300 0.018 0.000 1.126 516 R CA 1.309 57.423 56.100 0.023 0.000 0.963 516 R CB -0.847 29.464 30.300 0.018 0.000 0.858 516 R HN 0.534 nan 8.270 nan 0.000 0.435 517 A N 1.764 124.590 122.820 0.009 0.000 1.877 517 A HA -0.182 4.224 4.320 0.143 0.000 0.216 517 A C 2.068 179.663 177.584 0.018 0.000 1.186 517 A CA 1.471 53.506 52.037 -0.003 0.000 0.620 517 A CB -0.308 18.665 19.000 -0.045 0.000 0.822 517 A HN 0.232 nan 8.150 nan 0.000 0.443 518 K N -0.324 120.095 120.400 0.031 0.000 2.147 518 K HA -0.038 4.368 4.320 0.143 0.000 0.205 518 K C 2.020 178.637 176.600 0.029 0.000 1.049 518 K CA 1.081 57.390 56.287 0.036 0.000 0.936 518 K CB -0.262 32.263 32.500 0.042 0.000 0.722 518 K HN 0.449 nan 8.250 nan 0.000 0.446 519 A N 1.233 124.068 122.820 0.026 0.000 2.167 519 A HA -0.053 4.353 4.320 0.143 0.000 0.214 519 A C 0.795 178.391 177.584 0.019 0.000 1.151 519 A CA 0.373 52.422 52.037 0.021 0.000 0.735 519 A CB -0.217 18.796 19.000 0.021 0.000 0.802 519 A HN 0.169 nan 8.150 nan 0.000 0.467 520 N N 0.872 119.586 118.700 0.024 0.000 2.555 520 N HA 0.137 4.963 4.740 0.143 0.000 0.244 520 N C 0.996 176.522 175.510 0.026 0.000 1.114 520 N CA 0.732 53.799 53.050 0.028 0.000 0.963 520 N CB 0.522 39.032 38.487 0.039 0.000 1.276 520 N HN 0.269 nan 8.380 nan 0.000 0.510 521 T N -0.169 114.389 114.554 0.008 0.000 3.065 521 T HA 0.156 4.592 4.350 0.143 0.000 0.252 521 T C 1.116 175.818 174.700 0.004 0.000 1.099 521 T CA 0.442 62.546 62.100 0.007 0.000 1.063 521 T CB 0.103 68.968 68.868 -0.006 0.000 0.948 521 T HN 0.346 nan 8.240 nan 0.000 0.506 522 R N 0.467 120.961 120.500 -0.010 0.000 2.577 522 R HA 0.525 4.951 4.340 0.143 0.000 0.344 522 R C 0.431 176.789 176.300 0.096 0.000 1.037 522 R CA -0.232 55.864 56.100 -0.008 0.000 1.102 522 R CB 1.265 31.452 30.300 -0.187 0.000 1.313 522 R HN 0.472 nan 8.270 nan 0.000 0.561 523 G N 1.107 109.971 108.800 0.107 0.000 2.523 523 G HA2 0.249 4.295 3.960 0.143 0.000 0.291 523 G HA3 0.249 4.295 3.960 0.143 0.000 0.291 523 G C -3.197 171.767 174.900 0.106 0.000 1.450 523 G CA -0.956 44.224 45.100 0.132 0.000 0.790 523 G HN -0.269 nan 8.290 nan 0.000 0.496 524 P HA 0.348 nan 4.420 nan 0.000 0.274 524 P C -0.494 176.848 177.300 0.070 0.000 1.231 524 P CA 0.119 63.276 63.100 0.094 0.000 0.790 524 P CB 1.174 32.944 31.700 0.117 0.000 0.951 525 T N 2.674 117.244 114.554 0.028 0.000 2.815 525 T HA 0.395 4.831 4.350 0.143 0.000 0.289 525 T C -0.142 174.516 174.700 -0.069 0.000 1.000 525 T CA -0.433 61.658 62.100 -0.015 0.000 0.958 525 T CB 0.529 69.370 68.868 -0.044 0.000 0.944 525 T HN 0.284 nan 8.240 nan 0.000 0.442 526 L N 4.948 126.146 121.223 -0.042 0.000 2.264 526 L HA 0.601 5.027 4.340 0.143 0.000 0.289 526 L C -0.923 175.872 176.870 -0.126 0.000 1.044 526 L CA -0.706 54.082 54.840 -0.087 0.000 0.807 526 L CB 0.308 42.352 42.059 -0.024 0.000 1.192 526 L HN 0.641 nan 8.230 nan 0.000 0.425 527 I N 5.155 125.596 120.570 -0.214 0.000 2.330 527 I HA 0.212 4.468 4.170 0.143 0.000 0.286 527 I C 0.125 176.180 176.117 -0.102 0.000 1.025 527 I CA -0.297 60.904 61.300 -0.165 0.000 1.197 527 I CB 1.347 39.198 38.000 -0.248 0.000 1.358 527 I HN 0.602 nan 8.210 nan 0.000 0.467 528 E N 6.359 126.524 120.200 -0.059 0.000 2.029 528 E HA 0.148 4.584 4.350 0.143 0.000 0.276 528 E C -1.012 175.581 176.600 -0.012 0.000 1.163 528 E CA -0.493 55.880 56.400 -0.045 0.000 0.909 528 E CB 0.457 30.177 29.700 0.033 0.000 1.046 528 E HN 0.619 nan 8.360 nan 0.000 0.406 529 C N 5.066 124.360 119.300 -0.010 0.000 2.373 529 C HA 0.221 4.767 4.460 0.143 0.000 0.354 529 C C 0.269 175.255 174.990 -0.007 0.000 1.249 529 C CA -0.662 58.363 59.018 0.012 0.000 1.784 529 C CB -0.049 27.719 27.740 0.048 0.000 2.408 529 C HN 0.687 nan 8.230 nan 0.000 0.542 530 Q N 3.177 122.978 119.800 0.002 0.000 2.331 530 Q HA 0.664 5.090 4.340 0.143 0.000 0.257 530 Q C -0.190 175.810 176.000 -0.000 0.000 0.957 530 Q CA 0.127 55.934 55.803 0.006 0.000 0.923 530 Q CB 0.941 29.691 28.738 0.020 0.000 1.212 530 Q HN 0.834 nan 8.270 nan 0.000 0.443 531 I N -1.999 118.569 120.570 -0.003 0.000 3.002 531 I HA 0.583 4.839 4.170 0.143 0.000 0.310 531 I C -0.551 175.567 176.117 0.001 0.000 1.087 531 I CA -1.357 59.941 61.300 -0.004 0.000 1.017 531 I CB 1.968 39.963 38.000 -0.009 0.000 1.226 531 I HN 0.269 nan 8.210 nan 0.000 0.443 532 D N 1.632 122.033 120.400 0.002 0.000 2.372 532 D HA 0.107 4.833 4.640 0.143 0.000 0.243 532 D C 1.249 177.552 176.300 0.005 0.000 1.121 532 D CA -0.038 53.966 54.000 0.006 0.000 0.898 532 D CB 1.262 42.064 40.800 0.005 0.000 1.202 532 D HN 0.668 nan 8.370 nan 0.000 0.428 533 R N 1.662 122.171 120.500 0.014 0.000 2.200 533 R HA -0.135 4.291 4.340 0.143 0.000 0.234 533 R C 1.375 177.679 176.300 0.007 0.000 1.127 533 R CA 1.513 57.622 56.100 0.015 0.000 0.989 533 R CB -0.168 30.157 30.300 0.042 0.000 0.869 533 R HN 0.434 nan 8.270 nan 0.000 0.459 534 T N -0.224 114.333 114.554 0.005 0.000 3.088 534 T HA -0.064 4.372 4.350 0.143 0.000 0.259 534 T C -0.063 174.631 174.700 -0.011 0.000 1.122 534 T CA 0.717 62.816 62.100 -0.002 0.000 1.095 534 T CB -0.071 68.797 68.868 -0.000 0.000 0.930 534 T HN 0.214 nan 8.240 nan 0.000 0.508 535 D N 1.920 122.314 120.400 -0.010 0.000 2.943 535 D HA 0.175 4.901 4.640 0.143 0.000 0.249 535 D C 0.203 176.493 176.300 -0.017 0.000 1.231 535 D CA -0.532 53.461 54.000 -0.012 0.000 0.979 535 D CB -0.855 39.940 40.800 -0.007 0.000 1.053 535 D HN 0.426 nan 8.370 nan 0.000 0.504 536 C N -0.107 119.176 119.300 -0.028 0.000 2.423 536 C HA 0.869 5.415 4.460 0.143 0.000 0.378 536 C C 0.896 175.853 174.990 -0.054 0.000 1.244 536 C CA -0.772 58.223 59.018 -0.040 0.000 1.978 536 C CB 0.513 28.219 27.740 -0.056 0.000 2.252 536 C HN 0.467 nan 8.230 nan 0.000 0.526 537 T N -0.647 113.865 114.554 -0.071 0.000 2.930 537 T HA 0.153 4.589 4.350 0.143 0.000 0.306 537 T C 0.555 175.175 174.700 -0.134 0.000 1.045 537 T CA 0.187 62.239 62.100 -0.080 0.000 1.134 537 T CB 0.420 69.255 68.868 -0.056 0.000 0.961 537 T HN 0.706 nan 8.240 nan 0.000 0.545 538 D N 1.384 121.728 120.400 -0.093 0.000 2.149 538 D HA -0.126 4.600 4.640 0.143 0.000 0.198 538 D C 1.865 178.074 176.300 -0.152 0.000 0.990 538 D CA 1.097 55.037 54.000 -0.099 0.000 0.839 538 D CB -0.257 40.509 40.800 -0.058 0.000 0.948 538 D HN 0.674 nan 8.370 nan 0.000 0.460 539 M N 0.149 119.651 119.600 -0.163 0.000 2.082 539 M HA -0.195 4.371 4.480 0.143 0.000 0.258 539 M C 2.189 178.169 176.300 -0.533 0.000 1.069 539 M CA 1.247 56.419 55.300 -0.214 0.000 1.102 539 M CB -0.068 32.505 32.600 -0.044 0.000 1.336 539 M HN 0.071 nan 8.290 nan 0.000 0.404 540 L N -0.266 120.428 121.223 -0.881 0.000 2.012 540 L HA -0.204 4.222 4.340 0.143 0.000 0.210 540 L C 2.074 178.701 176.870 -0.405 0.000 1.073 540 L CA 1.312 55.465 54.840 -1.144 0.000 0.748 540 L CB -0.300 41.237 42.059 -0.870 0.000 0.891 540 L HN 0.142 nan 8.230 nan 0.000 0.431 541 V N -0.178 119.578 119.914 -0.263 0.000 2.261 541 V HA -0.335 3.871 4.120 0.143 0.000 0.246 541 V C 2.526 178.547 176.094 -0.122 0.000 1.047 541 V CA 2.177 64.391 62.300 -0.144 0.000 1.015 541 V CB -0.736 31.021 31.823 -0.110 0.000 0.642 541 V HN 0.544 nan 8.190 nan 0.000 0.446 542 Q N -1.503 118.221 119.800 -0.127 0.000 2.002 542 Q HA -0.301 4.125 4.340 0.143 0.000 0.204 542 Q C 2.096 178.032 176.000 -0.106 0.000 0.988 542 Q CA 2.589 58.330 55.803 -0.104 0.000 0.843 542 Q CB -0.317 28.365 28.738 -0.094 0.000 0.908 542 Q HN 0.806 nan 8.270 nan 0.000 0.420 543 W N 0.599 121.703 121.300 -0.327 0.000 2.335 543 W HA -0.171 4.575 4.660 0.143 0.000 0.311 543 W C 2.042 178.413 176.519 -0.246 0.000 1.213 543 W CA 2.048 59.183 57.345 -0.350 0.000 1.274 543 W CB -0.775 28.418 29.460 -0.446 0.000 1.148 543 W HN 0.148 nan 8.180 nan 0.000 0.498 544 G N 0.348 109.072 108.800 -0.126 0.000 2.421 544 G HA2 -0.287 3.759 3.960 0.143 0.000 0.216 544 G HA3 -0.287 3.759 3.960 0.143 0.000 0.216 544 G C 1.584 176.295 174.900 -0.315 0.000 1.171 544 G CA 1.141 46.062 45.100 -0.297 0.000 0.775 544 G HN 0.291 nan 8.290 nan 0.000 0.543 545 R N -0.154 120.226 120.500 -0.200 0.000 2.091 545 R HA -0.039 4.387 4.340 0.143 0.000 0.238 545 R C 2.582 178.772 176.300 -0.183 0.000 1.136 545 R CA 1.254 57.264 56.100 -0.150 0.000 0.959 545 R CB -0.171 30.067 30.300 -0.103 0.000 0.856 545 R HN 0.123 nan 8.270 nan 0.000 0.437 546 K N 0.615 120.868 120.400 -0.245 0.000 2.031 546 K HA -0.055 4.352 4.320 0.143 0.000 0.205 546 K C 2.041 178.470 176.600 -0.286 0.000 1.049 546 K CA 1.018 57.167 56.287 -0.230 0.000 0.939 546 K CB -0.251 32.112 32.500 -0.228 0.000 0.717 546 K HN 0.020 nan 8.250 nan 0.000 0.438 547 V N 1.459 121.078 119.914 -0.491 0.000 2.295 547 V HA -0.248 3.958 4.120 0.143 0.000 0.246 547 V C 2.506 178.428 176.094 -0.287 0.000 1.049 547 V CA 2.024 64.024 62.300 -0.501 0.000 1.024 547 V CB -0.761 30.483 31.823 -0.965 0.000 0.648 547 V HN 0.347 nan 8.190 nan 0.000 0.447 548 A N 0.610 123.270 122.820 -0.265 0.000 1.902 548 A HA -0.210 4.196 4.320 0.143 0.000 0.217 548 A C 2.536 180.069 177.584 -0.086 0.000 1.181 548 A CA 2.305 54.257 52.037 -0.140 0.000 0.623 548 A CB -0.751 18.189 19.000 -0.099 0.000 0.818 548 A HN 0.693 nan 8.150 nan 0.000 0.443 549 S N -1.288 114.362 115.700 -0.084 0.000 2.428 549 S HA -0.103 4.453 4.470 0.143 0.000 0.230 549 S C 1.762 176.348 174.600 -0.024 0.000 1.014 549 S CA 1.751 59.926 58.200 -0.042 0.000 0.957 549 S CB -0.877 62.300 63.200 -0.037 0.000 0.784 549 S HN 0.461 nan 8.310 nan 0.000 0.499 550 T N 2.827 117.358 114.554 -0.038 0.000 2.812 550 T HA 0.056 4.492 4.350 0.143 0.000 0.264 550 T C 1.624 176.347 174.700 0.040 0.000 1.042 550 T CA 1.242 63.353 62.100 0.018 0.000 1.140 550 T CB -0.472 68.402 68.868 0.010 0.000 0.870 550 T HN 0.418 nan 8.240 nan 0.000 0.445 551 N N 1.516 120.215 118.700 -0.001 0.000 2.453 551 N HA 0.067 4.893 4.740 0.143 0.000 0.183 551 N C 1.502 177.011 175.510 -0.002 0.000 1.041 551 N CA 0.706 53.761 53.050 0.010 0.000 0.900 551 N CB -0.190 38.288 38.487 -0.015 0.000 0.961 551 N HN 0.418 nan 8.380 nan 0.000 0.443 552 A N 0.536 123.350 122.820 -0.010 0.000 2.308 552 A HA 0.042 4.449 4.320 0.143 0.000 0.217 552 A C 0.932 178.520 177.584 0.007 0.000 1.216 552 A CA -0.415 51.615 52.037 -0.011 0.000 0.864 552 A CB -0.114 18.875 19.000 -0.018 0.000 0.902 552 A HN 0.215 nan 8.150 nan 0.000 0.499 553 R N 0.002 120.514 120.500 0.020 0.000 2.583 553 R HA -0.013 4.414 4.340 0.143 0.000 0.274 553 R C 0.126 176.439 176.300 0.022 0.000 0.998 553 R CA 0.643 56.760 56.100 0.028 0.000 1.081 553 R CB 0.346 30.675 30.300 0.050 0.000 0.940 553 R HN 0.008 nan 8.270 nan 0.000 0.413 554 K N 1.424 121.835 120.400 0.018 0.000 2.323 554 K HA 0.135 4.541 4.320 0.143 0.000 0.197 554 K C -0.051 176.556 176.600 0.012 0.000 1.043 554 K CA 0.903 57.198 56.287 0.013 0.000 0.997 554 K CB 0.669 33.176 32.500 0.011 0.000 0.807 554 K HN 0.658 nan 8.250 nan 0.000 0.497 555 T N 0.000 114.563 114.554 0.014 0.000 3.816 555 T HA 0.000 4.436 4.350 0.143 0.000 0.228 555 T CA 0.000 62.106 62.100 0.011 0.000 1.349 555 T CB 0.000 68.873 68.868 0.009 0.000 0.612 555 T HN 0.000 nan 8.240 nan 0.000 0.658